Browse entries in the PDBbind-CN Database
HEADER 5N1Z_COMPLEX COMPND 5N1Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 A 123 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 A 123 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 A 123 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 A 123 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 A 123 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 A 123 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 A 123 LEU ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 A 123 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG SEQRES 10 A 123 LYS PHE ILE LYS ALA SER SEQRES 1 B 123 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 B 123 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 B 123 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 B 123 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 B 123 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 B 123 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 B 123 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 B 123 LEU ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 B 123 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG SEQRES 10 B 123 LYS PHE ILE LYS ALA SER HET UNN A 325 61 ATOM 1 N ASP A 6 15.404 -16.536 3.396 1.00 56.08 N ATOM 2 CA ASP A 6 16.489 -16.371 4.355 1.00 56.85 C ATOM 3 C ASP A 6 16.071 -16.775 5.779 1.00 59.73 C ATOM 4 O ASP A 6 14.964 -17.288 5.962 1.00 59.49 O ATOM 5 CB ASP A 6 17.080 -14.941 4.282 1.00 58.29 C ATOM 6 CG ASP A 6 16.187 -13.797 4.736 1.00 66.36 C ATOM 7 OD1 ASP A 6 14.944 -13.890 4.547 1.00 64.84 O ATOM 8 OD2 ASP A 6 16.734 -12.779 5.224 1.00 71.33 O ATOM 9 HN3 ASP A 6 14.600 -15.941 3.679 1.00 0.00 H ATOM 10 HN2 ASP A 6 15.109 -17.533 3.376 1.00 0.00 H ATOM 11 HN1 ASP A 6 15.732 -16.252 2.451 1.00 0.00 H ATOM 12 N SER A 7 16.966 -16.569 6.775 1.00 55.87 N ATOM 13 CA SER A 7 16.799 -16.906 8.203 1.00 54.63 C ATOM 14 C SER A 7 15.500 -16.430 8.855 1.00 53.37 C ATOM 15 O SER A 7 15.051 -17.043 9.824 1.00 53.66 O ATOM 16 CB SER A 7 17.989 -16.383 9.006 1.00 59.08 C ATOM 17 OG SER A 7 17.803 -16.521 10.408 1.00 66.79 O ATOM 18 HG SER A 7 17.000 -16.012 10.685 1.00 0.00 H ATOM 19 H SER A 7 17.867 -16.126 6.505 1.00 0.00 H ATOM 20 N GLN A 8 14.923 -15.330 8.349 1.00 45.49 N ATOM 21 CA GLN A 8 13.726 -14.681 8.884 1.00 42.13 C ATOM 22 C GLN A 8 12.455 -15.531 8.855 1.00 42.60 C ATOM 23 O GLN A 8 12.280 -16.372 7.969 1.00 42.38 O ATOM 24 CB GLN A 8 13.487 -13.341 8.179 1.00 41.53 C ATOM 25 CG GLN A 8 14.644 -12.373 8.382 1.00 38.65 C ATOM 26 CD GLN A 8 14.489 -11.085 7.633 1.00 52.93 C ATOM 27 OE1 GLN A 8 13.461 -10.404 7.706 1.00 52.11 O ATOM 28 NE2 GLN A 8 15.538 -10.695 6.947 1.00 44.49 N ATOM 29 HE22 GLN A 8 16.386 -11.295 6.908 1.00 0.00 H ATOM 30 HE21 GLN A 8 15.521 -9.786 6.442 1.00 0.00 H ATOM 31 H GLN A 8 15.362 -14.904 7.508 1.00 0.00 H ATOM 32 N ILE A 9 11.579 -15.303 9.852 1.00 34.64 N ATOM 33 CA ILE A 9 10.308 -16.002 10.022 1.00 32.55 C ATOM 34 C ILE A 9 9.315 -15.476 8.996 1.00 35.36 C ATOM 35 O ILE A 9 9.051 -14.264 8.934 1.00 33.33 O ATOM 36 CB ILE A 9 9.776 -15.880 11.492 1.00 34.13 C ATOM 37 CG1 ILE A 9 10.873 -16.223 12.521 1.00 35.12 C ATOM 38 CG2 ILE A 9 8.512 -16.721 11.699 1.00 34.94 C ATOM 39 CD1 ILE A 9 10.555 -15.876 14.046 1.00 41.31 C ATOM 40 H ILE A 9 11.826 -14.575 10.553 1.00 0.00 H ATOM 41 N GLN A 10 8.730 -16.395 8.221 1.00 32.63 N ATOM 42 CA GLN A 10 7.734 -16.057 7.201 1.00 31.26 C ATOM 43 C GLN A 10 6.293 -16.070 7.727 1.00 32.60 C ATOM 44 O GLN A 10 5.837 -17.054 8.316 1.00 32.41 O ATOM 45 CB GLN A 10 7.879 -17.025 6.017 1.00 33.80 C ATOM 46 CG GLN A 10 7.020 -16.707 4.793 1.00 45.30 C ATOM 47 CD GLN A 10 7.402 -17.605 3.643 1.00 68.47 C ATOM 48 OE1 GLN A 10 8.522 -17.547 3.122 1.00 67.23 O ATOM 49 NE2 GLN A 10 6.489 -18.474 3.236 1.00 58.08 N ATOM 50 HE22 GLN A 10 5.555 -18.500 3.693 1.00 0.00 H ATOM 51 HE21 GLN A 10 6.706 -19.131 2.459 1.00 0.00 H ATOM 52 H GLN A 10 8.993 -17.393 8.348 1.00 0.00 H ATOM 53 N PHE A 11 5.583 -14.964 7.497 1.00 27.69 N ATOM 54 CA PHE A 11 4.168 -14.794 7.807 1.00 26.88 C ATOM 55 C PHE A 11 3.436 -14.896 6.473 1.00 32.28 C ATOM 56 O PHE A 11 3.398 -13.935 5.700 1.00 30.27 O ATOM 57 CB PHE A 11 3.921 -13.450 8.486 1.00 26.31 C ATOM 58 CG PHE A 11 4.324 -13.403 9.939 1.00 27.42 C ATOM 59 CD1 PHE A 11 5.659 -13.515 10.314 1.00 30.51 C ATOM 60 CD2 PHE A 11 3.378 -13.203 10.928 1.00 30.79 C ATOM 61 CE1 PHE A 11 6.031 -13.479 11.664 1.00 32.55 C ATOM 62 CE2 PHE A 11 3.749 -13.142 12.275 1.00 33.64 C ATOM 63 CZ PHE A 11 5.075 -13.271 12.632 1.00 32.20 C ATOM 64 H PHE A 11 6.078 -14.159 7.062 1.00 0.00 H ATOM 65 N THR A 12 2.890 -16.096 6.194 1.00 29.74 N ATOM 66 CA THR A 12 2.222 -16.432 4.934 1.00 29.52 C ATOM 67 C THR A 12 0.900 -15.679 4.699 1.00 32.95 C ATOM 68 O THR A 12 0.429 -15.622 3.565 1.00 32.67 O ATOM 69 CB THR A 12 2.034 -17.944 4.832 1.00 36.75 C ATOM 70 OG1 THR A 12 1.231 -18.380 5.927 1.00 42.38 O ATOM 71 CG2 THR A 12 3.363 -18.692 4.831 1.00 39.36 C ATOM 72 HG1 THR A 12 1.103 -19.360 5.871 1.00 0.00 H ATOM 73 H THR A 12 2.947 -16.835 6.924 1.00 0.00 H ATOM 74 N ARG A 13 0.316 -15.108 5.761 1.00 28.84 N ATOM 75 CA ARG A 13 -0.963 -14.386 5.720 1.00 28.03 C ATOM 76 C ARG A 13 -0.773 -12.859 5.736 1.00 29.38 C ATOM 77 O ARG A 13 -1.740 -12.116 5.548 1.00 26.90 O ATOM 78 CB ARG A 13 -1.792 -14.781 6.951 1.00 31.77 C ATOM 79 CG ARG A 13 -2.179 -16.267 7.001 1.00 40.68 C ATOM 80 CD ARG A 13 -3.424 -16.521 7.835 1.00 53.61 C ATOM 81 NE ARG A 13 -3.284 -16.082 9.228 1.00 61.52 N ATOM 82 CZ ARG A 13 -4.159 -15.303 9.861 1.00 79.98 C ATOM 83 NH1 ARG A 13 -5.247 -14.869 9.235 1.00 67.85 N ATOM 84 NH2 ARG A 13 -3.954 -14.957 11.124 1.00 69.62 N ATOM 85 HE ARG A 13 -2.446 -16.400 9.756 1.00 0.00 H ATOM 86 HH12 ARG A 13 -5.927 -14.261 9.735 1.00 0.00 H ATOM 87 HH11 ARG A 13 -5.419 -15.137 8.245 1.00 0.00 H ATOM 88 HH22 ARG A 13 -4.640 -14.348 11.614 1.00 0.00 H ATOM 89 HH21 ARG A 13 -3.107 -15.294 11.625 1.00 0.00 H ATOM 90 H ARG A 13 0.802 -15.181 6.678 1.00 0.00 H ATOM 91 N HIS A 14 0.440 -12.391 6.042 1.00 26.00 N ATOM 92 CA HIS A 14 0.705 -10.959 6.176 1.00 24.32 C ATOM 93 C HIS A 14 0.401 -10.126 4.930 1.00 27.39 C ATOM 94 O HIS A 14 -0.221 -9.064 5.061 1.00 26.62 O ATOM 95 CB HIS A 14 2.149 -10.721 6.654 1.00 25.81 C ATOM 96 CG HIS A 14 2.472 -9.270 6.815 1.00 28.01 C ATOM 97 ND1 HIS A 14 2.000 -8.547 7.895 1.00 28.46 N ATOM 98 CD2 HIS A 14 3.146 -8.439 5.986 1.00 28.61 C ATOM 99 CE1 HIS A 14 2.426 -7.306 7.713 1.00 27.06 C ATOM 100 NE2 HIS A 14 3.126 -7.192 6.582 1.00 27.64 N ATOM 101 H HIS A 14 1.219 -13.065 6.189 1.00 0.00 H ATOM 102 N ALA A 15 0.871 -10.567 3.744 1.00 22.75 N ATOM 103 CA ALA A 15 0.666 -9.826 2.486 1.00 21.79 C ATOM 104 C ALA A 15 -0.815 -9.657 2.146 1.00 25.41 C ATOM 105 O ALA A 15 -1.237 -8.549 1.793 1.00 23.29 O ATOM 106 CB ALA A 15 1.406 -10.495 1.340 1.00 23.63 C ATOM 107 H ALA A 15 1.398 -11.463 3.717 1.00 0.00 H ATOM 108 N SER A 16 -1.617 -10.739 2.314 1.00 23.56 N ATOM 109 CA SER A 16 -3.067 -10.657 2.072 1.00 23.43 C ATOM 110 C SER A 16 -3.757 -9.789 3.145 1.00 26.65 C ATOM 111 O SER A 16 -4.708 -9.079 2.823 1.00 25.23 O ATOM 112 CB SER A 16 -3.678 -12.054 2.037 1.00 29.53 C ATOM 113 OG SER A 16 -3.500 -12.674 3.297 1.00 38.51 O ATOM 114 HG SER A 16 -2.533 -12.740 3.498 1.00 0.00 H ATOM 115 H SER A 16 -1.200 -11.642 2.619 1.00 0.00 H ATOM 116 N ASP A 17 -3.266 -9.812 4.407 1.00 24.65 N ATOM 117 CA ASP A 17 -3.867 -8.999 5.468 1.00 25.58 C ATOM 118 C ASP A 17 -3.635 -7.497 5.192 1.00 26.92 C ATOM 119 O ASP A 17 -4.568 -6.721 5.340 1.00 25.63 O ATOM 120 CB ASP A 17 -3.367 -9.409 6.861 1.00 28.47 C ATOM 121 CG ASP A 17 -3.904 -10.740 7.371 1.00 39.09 C ATOM 122 OD1 ASP A 17 -5.055 -11.086 7.042 1.00 40.51 O ATOM 123 OD2 ASP A 17 -3.193 -11.405 8.138 1.00 49.63 O ATOM 124 H ASP A 17 -2.449 -10.417 4.627 1.00 0.00 H ATOM 125 N VAL A 18 -2.420 -7.120 4.733 1.00 23.52 N ATOM 126 CA VAL A 18 -2.063 -5.742 4.336 1.00 22.43 C ATOM 127 C VAL A 18 -3.004 -5.277 3.223 1.00 26.99 C ATOM 128 O VAL A 18 -3.584 -4.199 3.332 1.00 25.61 O ATOM 129 CB VAL A 18 -0.586 -5.611 3.896 1.00 25.40 C ATOM 130 CG1 VAL A 18 -0.329 -4.272 3.191 1.00 23.51 C ATOM 131 CG2 VAL A 18 0.361 -5.797 5.079 1.00 25.39 C ATOM 132 H VAL A 18 -1.685 -7.852 4.654 1.00 0.00 H ATOM 133 N LEU A 19 -3.155 -6.101 2.157 1.00 24.73 N ATOM 134 CA LEU A 19 -4.014 -5.794 1.013 1.00 24.28 C ATOM 135 C LEU A 19 -5.460 -5.579 1.462 1.00 25.89 C ATOM 136 O LEU A 19 -6.089 -4.601 1.037 1.00 23.70 O ATOM 137 CB LEU A 19 -3.961 -6.911 -0.046 1.00 24.65 C ATOM 138 CG LEU A 19 -4.267 -6.431 -1.475 1.00 29.81 C ATOM 139 CD1 LEU A 19 -3.231 -5.441 -1.937 1.00 28.59 C ATOM 140 CD2 LEU A 19 -4.336 -7.597 -2.437 1.00 29.78 C ATOM 141 H LEU A 19 -2.632 -7.000 2.152 1.00 0.00 H ATOM 142 N LEU A 20 -5.954 -6.447 2.361 1.00 21.76 N ATOM 143 CA LEU A 20 -7.313 -6.336 2.902 1.00 22.17 C ATOM 144 C LEU A 20 -7.497 -4.953 3.554 1.00 24.48 C ATOM 145 O LEU A 20 -8.496 -4.285 3.297 1.00 24.56 O ATOM 146 CB LEU A 20 -7.602 -7.471 3.909 1.00 23.76 C ATOM 147 CG LEU A 20 -9.070 -7.691 4.350 1.00 31.55 C ATOM 148 CD1 LEU A 20 -9.923 -8.308 3.222 1.00 34.47 C ATOM 149 CD2 LEU A 20 -9.128 -8.643 5.517 1.00 35.81 C ATOM 150 H LEU A 20 -5.349 -7.228 2.686 1.00 0.00 H ATOM 151 N ASN A 21 -6.515 -4.509 4.327 1.00 20.13 N ATOM 152 CA ASN A 21 -6.547 -3.208 5.010 1.00 19.60 C ATOM 153 C ASN A 21 -6.372 -2.050 4.049 1.00 22.66 C ATOM 154 O ASN A 21 -6.976 -0.999 4.266 1.00 20.87 O ATOM 155 CB ASN A 21 -5.529 -3.137 6.140 1.00 23.08 C ATOM 156 CG ASN A 21 -6.040 -3.848 7.381 1.00 30.28 C ATOM 157 OD1 ASN A 21 -7.247 -4.077 7.548 1.00 25.28 O ATOM 158 ND2 ASN A 21 -5.134 -4.279 8.233 1.00 23.51 N ATOM 159 HD22 ASN A 21 -4.128 -4.073 8.070 1.00 0.00 H ATOM 160 HD21 ASN A 21 -5.425 -4.825 9.069 1.00 0.00 H ATOM 161 H ASN A 21 -5.678 -5.113 4.457 1.00 0.00 H ATOM 162 N LEU A 22 -5.602 -2.253 2.965 1.00 18.31 N ATOM 163 CA LEU A 22 -5.485 -1.240 1.909 1.00 17.55 C ATOM 164 C LEU A 22 -6.840 -1.084 1.212 1.00 17.20 C ATOM 165 O LEU A 22 -7.222 0.032 0.886 1.00 17.84 O ATOM 166 CB LEU A 22 -4.414 -1.610 0.886 1.00 17.23 C ATOM 167 CG LEU A 22 -2.964 -1.516 1.428 1.00 20.26 C ATOM 168 CD1 LEU A 22 -1.988 -1.988 0.376 1.00 19.73 C ATOM 169 CD2 LEU A 22 -2.651 -0.099 1.894 1.00 23.57 C ATOM 170 H LEU A 22 -5.078 -3.147 2.873 1.00 0.00 H ATOM 171 N ASN A 23 -7.540 -2.188 0.972 1.00 16.16 N ATOM 172 CA ASN A 23 -8.906 -2.128 0.407 1.00 16.40 C ATOM 173 C ASN A 23 -9.893 -1.423 1.308 1.00 21.37 C ATOM 174 O ASN A 23 -10.839 -0.788 0.803 1.00 22.31 O ATOM 175 CB ASN A 23 -9.437 -3.507 0.006 1.00 23.39 C ATOM 176 CG ASN A 23 -10.516 -3.411 -1.060 1.00 35.65 C ATOM 177 OD1 ASN A 23 -10.580 -2.446 -1.840 1.00 26.10 O ATOM 178 ND2 ASN A 23 -11.413 -4.369 -1.087 1.00 30.00 N ATOM 179 HD22 ASN A 23 -11.341 -5.168 -0.425 1.00 0.00 H ATOM 180 HD21 ASN A 23 -12.196 -4.329 -1.770 1.00 0.00 H ATOM 181 H ASN A 23 -7.118 -3.114 1.186 1.00 0.00 H ATOM 182 N ARG A 24 -9.765 -1.625 2.641 1.00 19.58 N ATOM 183 CA ARG A 24 -10.657 -0.964 3.596 1.00 19.07 C ATOM 184 C ARG A 24 -10.402 0.547 3.523 1.00 22.57 C ATOM 185 O ARG A 24 -11.359 1.305 3.591 1.00 23.48 O ATOM 186 CB ARG A 24 -10.435 -1.464 5.037 1.00 19.74 C ATOM 187 CG ARG A 24 -10.785 -2.943 5.317 1.00 29.35 C ATOM 188 CD ARG A 24 -10.392 -3.330 6.754 1.00 29.77 C ATOM 189 NE ARG A 24 -11.187 -4.445 7.286 1.00 37.97 N ATOM 190 CZ ARG A 24 -10.731 -5.383 8.119 1.00 50.76 C ATOM 191 NH1 ARG A 24 -11.544 -6.334 8.567 1.00 35.42 N ATOM 192 NH2 ARG A 24 -9.460 -5.380 8.506 1.00 32.89 N ATOM 193 HE ARG A 24 -12.182 -4.508 6.991 1.00 0.00 H ATOM 194 HH12 ARG A 24 -11.184 -7.063 9.216 1.00 0.00 H ATOM 195 HH11 ARG A 24 -12.540 -6.350 8.269 1.00 0.00 H ATOM 196 HH22 ARG A 24 -9.112 -6.114 9.155 1.00 0.00 H ATOM 197 HH21 ARG A 24 -8.813 -4.643 8.160 1.00 0.00 H ATOM 198 H ARG A 24 -9.020 -2.260 2.992 1.00 0.00 H ATOM 199 N LEU A 25 -9.098 0.987 3.446 1.00 19.36 N ATOM 200 CA LEU A 25 -8.749 2.418 3.364 1.00 20.15 C ATOM 201 C LEU A 25 -9.417 3.056 2.175 1.00 24.10 C ATOM 202 O LEU A 25 -10.045 4.117 2.306 1.00 23.08 O ATOM 203 CB LEU A 25 -7.215 2.647 3.304 1.00 19.27 C ATOM 204 CG LEU A 25 -6.453 2.397 4.575 1.00 22.66 C ATOM 205 CD1 LEU A 25 -4.957 2.360 4.301 1.00 22.25 C ATOM 206 CD2 LEU A 25 -6.759 3.464 5.629 1.00 26.38 C ATOM 207 H LEU A 25 -8.332 0.284 3.446 1.00 0.00 H ATOM 208 N ARG A 26 -9.357 2.347 1.016 1.00 22.42 N ATOM 209 CA ARG A 26 -9.997 2.788 -0.204 1.00 22.03 C ATOM 210 C ARG A 26 -11.526 2.882 -0.031 1.00 24.63 C ATOM 211 O ARG A 26 -12.102 3.911 -0.382 1.00 24.00 O ATOM 212 CB ARG A 26 -9.596 1.886 -1.391 1.00 21.46 C ATOM 213 CG ARG A 26 -10.261 2.322 -2.700 1.00 33.81 C ATOM 214 CD ARG A 26 -9.863 1.462 -3.878 1.00 36.19 C ATOM 215 NE ARG A 26 -10.349 0.078 -3.804 1.00 33.56 N ATOM 216 CZ ARG A 26 -11.220 -0.460 -4.645 1.00 41.47 C ATOM 217 NH1 ARG A 26 -11.816 0.289 -5.564 1.00 26.52 N ATOM 218 NH2 ARG A 26 -11.545 -1.742 -4.541 1.00 30.56 N ATOM 219 HE ARG A 26 -9.984 -0.522 -3.037 1.00 0.00 H ATOM 220 HH12 ARG A 26 -12.499 -0.139 -6.221 1.00 0.00 H ATOM 221 HH11 ARG A 26 -11.600 1.304 -5.627 1.00 0.00 H ATOM 222 HH22 ARG A 26 -12.229 -2.160 -5.203 1.00 0.00 H ATOM 223 HH21 ARG A 26 -11.116 -2.329 -3.797 1.00 0.00 H ATOM 224 H ARG A 26 -8.829 1.451 1.006 1.00 0.00 H ATOM 225 N SER A 27 -12.164 1.864 0.618 1.00 21.07 N ATOM 226 CA SER A 27 -13.607 1.883 0.841 1.00 21.92 C ATOM 227 C SER A 27 -13.988 2.967 1.841 1.00 25.68 C ATOM 228 O SER A 27 -15.102 3.480 1.800 1.00 25.09 O ATOM 229 CB SER A 27 -14.120 0.503 1.238 1.00 26.35 C ATOM 230 OG SER A 27 -13.991 0.244 2.626 1.00 44.60 O ATOM 231 HG SER A 27 -13.036 0.297 2.883 1.00 0.00 H ATOM 232 H SER A 27 -11.608 1.055 0.962 1.00 0.00 H ATOM 233 N ARG A 28 -13.028 3.384 2.678 1.00 24.17 N ATOM 234 CA ARG A 28 -13.285 4.434 3.664 1.00 24.91 C ATOM 235 C ARG A 28 -12.782 5.794 3.218 1.00 26.28 C ATOM 236 O ARG A 28 -12.902 6.770 3.966 1.00 26.02 O ATOM 237 CB ARG A 28 -12.733 4.027 5.037 1.00 26.40 C ATOM 238 CG ARG A 28 -13.554 2.917 5.691 1.00 29.39 C ATOM 239 CD ARG A 28 -13.033 2.528 7.056 1.00 36.48 C ATOM 240 NE ARG A 28 -13.138 3.621 8.025 1.00 43.62 N ATOM 241 CZ ARG A 28 -12.550 3.636 9.218 1.00 50.82 C ATOM 242 NH1 ARG A 28 -11.804 2.609 9.613 1.00 34.62 N ATOM 243 NH2 ARG A 28 -12.686 4.682 10.015 1.00 39.49 N ATOM 244 HE ARG A 28 -13.714 4.446 7.761 1.00 0.00 H ATOM 245 HH12 ARG A 28 -11.347 2.627 10.547 1.00 0.00 H ATOM 246 HH11 ARG A 28 -11.677 1.787 8.988 1.00 0.00 H ATOM 247 HH22 ARG A 28 -12.224 4.689 10.947 1.00 0.00 H ATOM 248 HH21 ARG A 28 -13.255 5.498 9.710 1.00 0.00 H ATOM 249 H ARG A 28 -12.083 2.953 2.626 1.00 0.00 H ATOM 250 N ASP A 29 -12.281 5.882 1.969 1.00 22.73 N ATOM 251 CA ASP A 29 -11.693 7.096 1.373 1.00 23.11 C ATOM 252 C ASP A 29 -10.603 7.717 2.281 1.00 28.79 C ATOM 253 O ASP A 29 -10.508 8.939 2.428 1.00 29.84 O ATOM 254 CB ASP A 29 -12.772 8.129 0.937 1.00 26.26 C ATOM 255 CG ASP A 29 -12.247 9.098 -0.120 1.00 34.48 C ATOM 256 OD1 ASP A 29 -11.462 8.664 -0.985 1.00 35.31 O ATOM 257 OD2 ASP A 29 -12.591 10.295 -0.054 1.00 38.32 O ATOM 258 H ASP A 29 -12.312 5.026 1.379 1.00 0.00 H ATOM 259 N ILE A 30 -9.782 6.842 2.902 1.00 22.97 N ATOM 260 CA ILE A 30 -8.722 7.261 3.788 1.00 20.65 C ATOM 261 C ILE A 30 -7.378 7.177 3.111 1.00 21.94 C ATOM 262 O ILE A 30 -6.944 6.098 2.691 1.00 22.89 O ATOM 263 CB ILE A 30 -8.718 6.548 5.166 1.00 23.09 C ATOM 264 CG1 ILE A 30 -9.982 6.810 5.974 1.00 23.99 C ATOM 265 CG2 ILE A 30 -7.470 6.970 5.971 1.00 22.13 C ATOM 266 CD1 ILE A 30 -10.205 5.819 7.131 1.00 30.70 C ATOM 267 H ILE A 30 -9.919 5.825 2.735 1.00 0.00 H ATOM 268 N LEU A 31 -6.707 8.345 3.048 1.00 18.94 N ATOM 269 CA LEU A 31 -5.389 8.580 2.485 1.00 20.17 C ATOM 270 C LEU A 31 -5.335 8.282 0.976 1.00 22.82 C ATOM 271 O LEU A 31 -4.250 8.128 0.420 1.00 21.45 O ATOM 272 CB LEU A 31 -4.287 7.854 3.280 1.00 20.91 C ATOM 273 CG LEU A 31 -4.031 8.434 4.708 1.00 28.12 C ATOM 274 CD1 LEU A 31 -3.235 7.467 5.541 1.00 28.90 C ATOM 275 CD2 LEU A 31 -3.315 9.808 4.666 1.00 29.60 C ATOM 276 H LEU A 31 -7.190 9.174 3.449 1.00 0.00 H ATOM 277 N THR A 32 -6.510 8.280 0.296 1.00 18.54 N ATOM 278 CA THR A 32 -6.544 8.169 -1.179 1.00 17.55 C ATOM 279 C THR A 32 -5.984 9.508 -1.688 1.00 22.94 C ATOM 280 O THR A 32 -6.205 10.547 -1.061 1.00 22.62 O ATOM 281 CB THR A 32 -7.991 7.968 -1.689 1.00 19.01 C ATOM 282 OG1 THR A 32 -8.815 8.924 -1.034 1.00 24.95 O ATOM 283 CG2 THR A 32 -8.506 6.553 -1.403 1.00 16.08 C ATOM 284 HG1 THR A 32 -9.750 8.818 -1.342 1.00 0.00 H ATOM 285 H THR A 32 -7.404 8.358 0.822 1.00 0.00 H ATOM 286 N ASP A 33 -5.231 9.489 -2.788 1.00 21.57 N ATOM 287 CA ASP A 33 -4.517 10.666 -3.279 1.00 21.42 C ATOM 288 C ASP A 33 -4.645 10.892 -4.756 1.00 24.68 C ATOM 289 O ASP A 33 -3.978 11.754 -5.325 1.00 23.78 O ATOM 290 CB ASP A 33 -3.026 10.589 -2.867 1.00 23.57 C ATOM 291 CG ASP A 33 -2.272 9.355 -3.331 1.00 29.17 C ATOM 292 OD1 ASP A 33 -2.910 8.444 -3.898 1.00 28.53 O ATOM 293 OD2 ASP A 33 -1.047 9.287 -3.095 1.00 30.90 O ATOM 294 H ASP A 33 -5.148 8.599 -3.319 1.00 0.00 H ATOM 295 N VAL A 34 -5.548 10.170 -5.377 1.00 20.95 N ATOM 296 CA VAL A 34 -5.743 10.293 -6.810 1.00 20.69 C ATOM 297 C VAL A 34 -7.178 9.902 -7.137 1.00 24.06 C ATOM 298 O VAL A 34 -7.752 8.996 -6.508 1.00 23.78 O ATOM 299 CB VAL A 34 -4.700 9.459 -7.614 1.00 23.26 C ATOM 300 CG1 VAL A 34 -4.876 7.962 -7.413 1.00 23.08 C ATOM 301 CG2 VAL A 34 -4.679 9.828 -9.098 1.00 23.32 C ATOM 302 H VAL A 34 -6.131 9.501 -4.835 1.00 0.00 H ATOM 303 N VAL A 35 -7.715 10.580 -8.142 1.00 20.75 N ATOM 304 CA VAL A 35 -8.997 10.261 -8.749 1.00 19.90 C ATOM 305 C VAL A 35 -8.707 9.842 -10.201 1.00 23.96 C ATOM 306 O VAL A 35 -8.064 10.596 -10.954 1.00 23.15 O ATOM 307 CB VAL A 35 -10.077 11.366 -8.592 1.00 25.52 C ATOM 308 CG1 VAL A 35 -9.654 12.702 -9.181 1.00 26.24 C ATOM 309 CG2 VAL A 35 -11.432 10.928 -9.147 1.00 26.00 C ATOM 310 H VAL A 35 -7.186 11.391 -8.520 1.00 0.00 H ATOM 311 N ILE A 36 -9.181 8.642 -10.587 1.00 20.44 N ATOM 312 CA ILE A 36 -9.045 8.135 -11.945 1.00 20.42 C ATOM 313 C ILE A 36 -10.393 8.364 -12.616 1.00 26.16 C ATOM 314 O ILE A 36 -11.413 7.843 -12.157 1.00 25.85 O ATOM 315 CB ILE A 36 -8.620 6.629 -11.987 1.00 22.92 C ATOM 316 CG1 ILE A 36 -7.335 6.320 -11.142 1.00 22.22 C ATOM 317 CG2 ILE A 36 -8.465 6.138 -13.438 1.00 23.20 C ATOM 318 CD1 ILE A 36 -6.084 7.176 -11.398 1.00 31.52 C ATOM 319 H ILE A 36 -9.666 8.050 -9.883 1.00 0.00 H ATOM 320 N VAL A 37 -10.401 9.173 -13.675 1.00 23.44 N ATOM 321 CA VAL A 37 -11.618 9.520 -14.409 1.00 23.77 C ATOM 322 C VAL A 37 -11.667 8.614 -15.632 1.00 28.31 C ATOM 323 O VAL A 37 -10.761 8.659 -16.471 1.00 26.20 O ATOM 324 CB VAL A 37 -11.710 11.024 -14.795 1.00 28.17 C ATOM 325 CG1 VAL A 37 -13.007 11.312 -15.575 1.00 29.94 C ATOM 326 CG2 VAL A 37 -11.624 11.923 -13.569 1.00 27.76 C ATOM 327 H VAL A 37 -9.498 9.577 -13.995 1.00 0.00 H ATOM 328 N VAL A 38 -12.750 7.825 -15.745 1.00 26.28 N ATOM 329 CA VAL A 38 -12.973 6.887 -16.848 1.00 26.50 C ATOM 330 C VAL A 38 -14.355 7.239 -17.395 1.00 31.04 C ATOM 331 O VAL A 38 -15.355 6.808 -16.831 1.00 28.86 O ATOM 332 CB VAL A 38 -12.886 5.395 -16.388 1.00 31.42 C ATOM 333 CG1 VAL A 38 -12.984 4.445 -17.572 1.00 32.52 C ATOM 334 CG2 VAL A 38 -11.614 5.113 -15.588 1.00 30.80 C ATOM 335 H VAL A 38 -13.475 7.884 -15.002 1.00 0.00 H ATOM 336 N SER A 39 -14.385 8.074 -18.457 1.00 29.60 N ATOM 337 CA SER A 39 -15.580 8.598 -19.110 1.00 32.23 C ATOM 338 C SER A 39 -16.462 9.344 -18.089 1.00 35.18 C ATOM 339 O SER A 39 -15.949 10.249 -17.441 1.00 32.39 O ATOM 340 CB SER A 39 -16.315 7.511 -19.888 1.00 40.02 C ATOM 341 OG SER A 39 -15.580 7.220 -21.066 1.00 54.91 O ATOM 342 HG SER A 39 -16.048 6.515 -21.580 1.00 0.00 H ATOM 343 H SER A 39 -13.468 8.372 -18.846 1.00 0.00 H ATOM 344 N ARG A 40 -17.728 8.912 -17.881 1.00 33.32 N ATOM 345 CA ARG A 40 -18.668 9.549 -16.959 1.00 33.72 C ATOM 346 C ARG A 40 -18.563 9.046 -15.497 1.00 36.45 C ATOM 347 O ARG A 40 -19.420 9.381 -14.674 1.00 38.01 O ATOM 348 CB ARG A 40 -20.100 9.424 -17.507 1.00 36.01 C ATOM 349 CG ARG A 40 -20.292 10.163 -18.825 1.00 47.28 C ATOM 350 CD ARG A 40 -21.322 9.486 -19.706 1.00 66.24 C ATOM 351 NE ARG A 40 -20.757 8.338 -20.422 1.00 79.45 N ATOM 352 CZ ARG A 40 -20.154 8.405 -21.606 1.00 96.52 C ATOM 353 NH1 ARG A 40 -20.019 9.571 -22.227 1.00 85.57 N ATOM 354 NH2 ARG A 40 -19.677 7.307 -22.177 1.00 84.42 N ATOM 355 HE ARG A 40 -20.833 7.404 -19.972 1.00 0.00 H ATOM 356 HH12 ARG A 40 -19.546 9.616 -23.152 1.00 0.00 H ATOM 357 HH11 ARG A 40 -20.386 10.440 -21.788 1.00 0.00 H ATOM 358 HH22 ARG A 40 -19.206 7.365 -23.103 1.00 0.00 H ATOM 359 HH21 ARG A 40 -19.774 6.388 -21.699 1.00 0.00 H ATOM 360 H ARG A 40 -18.052 8.076 -18.409 1.00 0.00 H ATOM 361 N GLU A 41 -17.500 8.287 -15.166 1.00 29.74 N ATOM 362 CA GLU A 41 -17.269 7.741 -13.816 1.00 29.27 C ATOM 363 C GLU A 41 -15.901 8.149 -13.233 1.00 32.10 C ATOM 364 O GLU A 41 -14.979 8.454 -13.987 1.00 31.98 O ATOM 365 CB GLU A 41 -17.383 6.212 -13.826 1.00 30.50 C ATOM 366 CG GLU A 41 -18.757 5.698 -14.251 1.00 35.91 C ATOM 367 CD GLU A 41 -19.038 4.282 -13.794 1.00 55.11 C ATOM 368 OE1 GLU A 41 -18.764 3.977 -12.612 1.00 60.89 O ATOM 369 OE2 GLU A 41 -19.510 3.468 -14.617 1.00 46.86 O ATOM 370 H GLU A 41 -16.801 8.074 -15.906 1.00 0.00 H ATOM 371 N GLN A 42 -15.798 8.171 -11.889 1.00 27.17 N ATOM 372 CA GLN A 42 -14.583 8.531 -11.163 1.00 27.11 C ATOM 373 C GLN A 42 -14.287 7.421 -10.157 1.00 30.36 C ATOM 374 O GLN A 42 -15.213 6.762 -9.699 1.00 29.87 O ATOM 375 CB GLN A 42 -14.808 9.860 -10.415 1.00 29.06 C ATOM 376 CG GLN A 42 -14.721 11.101 -11.305 1.00 40.14 C ATOM 377 CD GLN A 42 -15.031 12.368 -10.543 1.00 54.27 C ATOM 378 OE1 GLN A 42 -14.458 12.640 -9.487 1.00 44.84 O ATOM 379 NE2 GLN A 42 -15.960 13.171 -11.058 1.00 54.41 N ATOM 380 HE22 GLN A 42 -16.429 12.918 -11.951 1.00 0.00 H ATOM 381 HE21 GLN A 42 -16.217 14.051 -10.567 1.00 0.00 H ATOM 382 H GLN A 42 -16.639 7.915 -11.333 1.00 0.00 H ATOM 383 N PHE A 43 -13.007 7.184 -9.844 1.00 26.15 N ATOM 384 CA PHE A 43 -12.609 6.150 -8.895 1.00 27.27 C ATOM 385 C PHE A 43 -11.480 6.701 -8.057 1.00 26.37 C ATOM 386 O PHE A 43 -10.487 7.159 -8.621 1.00 26.73 O ATOM 387 CB PHE A 43 -12.154 4.856 -9.632 1.00 29.30 C ATOM 388 CG PHE A 43 -13.203 4.247 -10.536 1.00 32.04 C ATOM 389 CD1 PHE A 43 -14.113 3.319 -10.045 1.00 35.87 C ATOM 390 CD2 PHE A 43 -13.259 4.580 -11.885 1.00 35.17 C ATOM 391 CE1 PHE A 43 -15.086 2.764 -10.882 1.00 38.67 C ATOM 392 CE2 PHE A 43 -14.225 4.019 -12.720 1.00 39.63 C ATOM 393 CZ PHE A 43 -15.136 3.122 -12.215 1.00 38.45 C ATOM 394 H PHE A 43 -12.268 7.760 -10.295 1.00 0.00 H ATOM 395 N ARG A 44 -11.644 6.738 -6.724 1.00 20.92 N ATOM 396 CA ARG A 44 -10.540 7.216 -5.873 1.00 19.31 C ATOM 397 C ARG A 44 -9.633 6.016 -5.531 1.00 22.26 C ATOM 398 O ARG A 44 -10.125 4.899 -5.354 1.00 23.59 O ATOM 399 CB ARG A 44 -11.084 7.909 -4.618 1.00 22.18 C ATOM 400 CG ARG A 44 -11.782 9.244 -4.957 1.00 30.28 C ATOM 401 CD ARG A 44 -11.903 10.185 -3.769 1.00 29.07 C ATOM 402 NE ARG A 44 -10.591 10.440 -3.173 1.00 25.39 N ATOM 403 CZ ARG A 44 -9.712 11.326 -3.621 1.00 41.27 C ATOM 404 NH1 ARG A 44 -10.013 12.113 -4.647 1.00 34.76 N ATOM 405 NH2 ARG A 44 -8.536 11.451 -3.033 1.00 30.53 N ATOM 406 HE ARG A 44 -10.328 9.884 -2.334 1.00 0.00 H ATOM 407 HH12 ARG A 44 -9.318 12.805 -4.993 1.00 0.00 H ATOM 408 HH11 ARG A 44 -10.944 12.037 -5.105 1.00 0.00 H ATOM 409 HH22 ARG A 44 -7.849 12.147 -3.387 1.00 0.00 H ATOM 410 HH21 ARG A 44 -8.297 10.854 -2.216 1.00 0.00 H ATOM 411 H ARG A 44 -12.542 6.432 -6.297 1.00 0.00 H ATOM 412 N ALA A 45 -8.319 6.237 -5.405 1.00 19.37 N ATOM 413 CA ALA A 45 -7.394 5.144 -5.140 1.00 19.95 C ATOM 414 C ALA A 45 -6.151 5.714 -4.519 1.00 23.01 C ATOM 415 O ALA A 45 -6.040 6.942 -4.353 1.00 20.30 O ATOM 416 CB ALA A 45 -7.033 4.438 -6.462 1.00 21.19 C ATOM 417 H ALA A 45 -7.952 7.206 -5.498 1.00 0.00 H ATOM 418 N HIS A 46 -5.214 4.819 -4.183 1.00 21.60 N ATOM 419 CA HIS A 46 -3.910 5.163 -3.632 1.00 20.98 C ATOM 420 C HIS A 46 -2.907 4.982 -4.755 1.00 23.30 C ATOM 421 O HIS A 46 -2.875 3.915 -5.352 1.00 21.34 O ATOM 422 CB HIS A 46 -3.546 4.236 -2.455 1.00 21.31 C ATOM 423 CG HIS A 46 -4.547 4.260 -1.332 1.00 24.89 C ATOM 424 ND1 HIS A 46 -5.515 3.279 -1.202 1.00 26.40 N ATOM 425 CD2 HIS A 46 -4.693 5.156 -0.327 1.00 26.44 C ATOM 426 CE1 HIS A 46 -6.206 3.599 -0.117 1.00 26.28 C ATOM 427 NE2 HIS A 46 -5.762 4.739 0.427 1.00 26.44 N ATOM 428 H HIS A 46 -5.431 3.812 -4.325 1.00 0.00 H ATOM 429 N LYS A 47 -2.100 6.026 -5.063 1.00 20.93 N ATOM 430 CA LYS A 47 -1.122 5.929 -6.145 1.00 20.40 C ATOM 431 C LYS A 47 -0.143 4.773 -5.934 1.00 22.42 C ATOM 432 O LYS A 47 0.247 4.128 -6.900 1.00 22.03 O ATOM 433 CB LYS A 47 -0.329 7.240 -6.300 1.00 22.87 C ATOM 434 CG LYS A 47 -1.167 8.461 -6.681 1.00 25.34 C ATOM 435 CD LYS A 47 -0.221 9.678 -6.739 1.00 26.06 C ATOM 436 CE LYS A 47 -0.959 10.938 -6.455 1.00 25.11 C ATOM 437 NZ LYS A 47 -0.069 12.135 -6.561 1.00 28.88 N ATOM 438 HZ1 LYS A 47 0.709 12.049 -5.876 1.00 0.00 H ATOM 439 HZ2 LYS A 47 0.320 12.192 -7.524 1.00 0.00 H ATOM 440 HZ3 LYS A 47 -0.619 12.994 -6.356 1.00 0.00 H ATOM 441 H LYS A 47 -2.178 6.910 -4.521 1.00 0.00 H ATOM 442 N THR A 48 0.237 4.497 -4.683 1.00 18.71 N ATOM 443 CA THR A 48 1.222 3.431 -4.385 1.00 18.27 C ATOM 444 C THR A 48 0.682 2.064 -4.836 1.00 20.61 C ATOM 445 O THR A 48 1.448 1.274 -5.373 1.00 21.82 O ATOM 446 CB THR A 48 1.604 3.414 -2.886 1.00 24.69 C ATOM 447 OG1 THR A 48 0.404 3.353 -2.119 1.00 24.95 O ATOM 448 CG2 THR A 48 2.424 4.618 -2.477 1.00 25.39 C ATOM 449 HG1 THR A 48 0.630 3.341 -1.155 1.00 0.00 H ATOM 450 H THR A 48 -0.169 5.045 -3.898 1.00 0.00 H ATOM 451 N VAL A 49 -0.625 1.802 -4.655 1.00 18.69 N ATOM 452 CA VAL A 49 -1.249 0.544 -5.063 1.00 18.36 C ATOM 453 C VAL A 49 -1.314 0.491 -6.591 1.00 23.52 C ATOM 454 O VAL A 49 -0.963 -0.530 -7.205 1.00 21.85 O ATOM 455 CB VAL A 49 -2.632 0.318 -4.400 1.00 21.62 C ATOM 456 CG1 VAL A 49 -3.324 -0.927 -4.958 1.00 21.25 C ATOM 457 CG2 VAL A 49 -2.495 0.210 -2.874 1.00 21.04 C ATOM 458 H VAL A 49 -1.219 2.527 -4.204 1.00 0.00 H ATOM 459 N LEU A 50 -1.758 1.599 -7.195 1.00 22.49 N ATOM 460 CA LEU A 50 -1.885 1.686 -8.644 1.00 21.07 C ATOM 461 C LEU A 50 -0.560 1.390 -9.305 1.00 23.80 C ATOM 462 O LEU A 50 -0.525 0.544 -10.213 1.00 25.49 O ATOM 463 CB LEU A 50 -2.461 3.021 -9.094 1.00 20.25 C ATOM 464 CG LEU A 50 -3.849 3.414 -8.602 1.00 22.86 C ATOM 465 CD1 LEU A 50 -4.228 4.765 -9.159 1.00 23.59 C ATOM 466 CD2 LEU A 50 -4.918 2.395 -9.034 1.00 25.07 C ATOM 467 H LEU A 50 -2.020 2.421 -6.614 1.00 0.00 H ATOM 468 N MET A 51 0.549 2.029 -8.823 1.00 19.28 N ATOM 469 CA MET A 51 1.885 1.772 -9.342 1.00 19.45 C ATOM 470 C MET A 51 2.244 0.309 -9.194 1.00 22.25 C ATOM 471 O MET A 51 2.724 -0.307 -10.146 1.00 23.98 O ATOM 472 CB MET A 51 2.955 2.600 -8.604 1.00 20.93 C ATOM 473 CG MET A 51 2.864 4.068 -8.816 1.00 23.65 C ATOM 474 SD MET A 51 4.251 4.877 -7.975 1.00 29.14 S ATOM 475 CE MET A 51 5.480 4.621 -9.124 1.00 27.61 C ATOM 476 H MET A 51 0.434 2.724 -8.058 1.00 0.00 H ATOM 477 N ALA A 52 1.986 -0.261 -8.008 1.00 21.58 N ATOM 478 CA ALA A 52 2.334 -1.651 -7.661 1.00 21.51 C ATOM 479 C ALA A 52 1.678 -2.699 -8.555 1.00 25.97 C ATOM 480 O ALA A 52 2.180 -3.821 -8.646 1.00 28.12 O ATOM 481 CB ALA A 52 1.956 -1.925 -6.200 1.00 21.15 C ATOM 482 H ALA A 52 1.509 0.315 -7.285 1.00 0.00 H ATOM 483 N CYS A 53 0.535 -2.351 -9.170 1.00 21.11 N ATOM 484 CA CYS A 53 -0.262 -3.258 -9.995 1.00 21.19 C ATOM 485 C CYS A 53 -0.281 -2.953 -11.457 1.00 27.19 C ATOM 486 O CYS A 53 -0.886 -3.725 -12.193 1.00 27.28 O ATOM 487 CB CYS A 53 -1.687 -3.295 -9.482 1.00 20.46 C ATOM 488 SG CYS A 53 -1.825 -3.722 -7.745 1.00 23.86 S ATOM 489 H CYS A 53 0.196 -1.375 -9.052 1.00 0.00 H ATOM 490 N SER A 54 0.236 -1.791 -11.878 1.00 24.64 N ATOM 491 CA SER A 54 0.062 -1.407 -13.272 1.00 24.17 C ATOM 492 C SER A 54 1.284 -0.748 -13.842 1.00 25.46 C ATOM 493 O SER A 54 1.840 0.159 -13.245 1.00 23.55 O ATOM 494 CB SER A 54 -1.195 -0.525 -13.403 1.00 25.01 C ATOM 495 OG SER A 54 -1.252 0.341 -14.525 1.00 24.74 O ATOM 496 HG SER A 54 -1.211 -0.195 -15.356 1.00 0.00 H ATOM 497 H SER A 54 0.753 -1.173 -11.220 1.00 0.00 H ATOM 498 N GLY A 55 1.710 -1.249 -14.990 1.00 24.86 N ATOM 499 CA GLY A 55 2.813 -0.684 -15.752 1.00 24.33 C ATOM 500 C GLY A 55 2.493 0.737 -16.170 1.00 23.87 C ATOM 501 O GLY A 55 3.363 1.595 -16.105 1.00 24.26 O ATOM 502 H GLY A 55 1.231 -2.091 -15.368 1.00 0.00 H ATOM 503 N LEU A 56 1.217 1.016 -16.545 1.00 20.26 N ATOM 504 CA LEU A 56 0.772 2.351 -16.961 1.00 21.05 C ATOM 505 C LEU A 56 0.907 3.329 -15.820 1.00 24.20 C ATOM 506 O LEU A 56 1.479 4.403 -16.012 1.00 24.92 O ATOM 507 CB LEU A 56 -0.705 2.346 -17.476 1.00 22.25 C ATOM 508 CG LEU A 56 -1.223 3.663 -18.077 1.00 29.20 C ATOM 509 CD1 LEU A 56 -0.790 3.830 -19.538 1.00 31.74 C ATOM 510 CD2 LEU A 56 -2.714 3.781 -17.941 1.00 32.82 C ATOM 511 H LEU A 56 0.520 0.244 -16.537 1.00 0.00 H ATOM 512 N PHE A 57 0.397 2.959 -14.634 1.00 20.16 N ATOM 513 CA PHE A 57 0.462 3.857 -13.466 1.00 18.92 C ATOM 514 C PHE A 57 1.853 3.947 -12.896 1.00 23.16 C ATOM 515 O PHE A 57 2.227 5.012 -12.420 1.00 24.63 O ATOM 516 CB PHE A 57 -0.542 3.461 -12.396 1.00 18.75 C ATOM 517 CG PHE A 57 -1.984 3.689 -12.798 1.00 19.18 C ATOM 518 CD1 PHE A 57 -2.430 4.954 -13.172 1.00 22.34 C ATOM 519 CD2 PHE A 57 -2.894 2.647 -12.780 1.00 19.43 C ATOM 520 CE1 PHE A 57 -3.759 5.153 -13.579 1.00 22.03 C ATOM 521 CE2 PHE A 57 -4.235 2.856 -13.128 1.00 22.37 C ATOM 522 CZ PHE A 57 -4.659 4.114 -13.501 1.00 22.40 C ATOM 523 H PHE A 57 -0.051 2.025 -14.538 1.00 0.00 H ATOM 524 N TYR A 58 2.622 2.835 -12.939 1.00 19.16 N ATOM 525 CA TYR A 58 4.023 2.860 -12.546 1.00 18.49 C ATOM 526 C TYR A 58 4.753 3.943 -13.375 1.00 23.96 C ATOM 527 O TYR A 58 5.385 4.810 -12.791 1.00 22.63 O ATOM 528 CB TYR A 58 4.704 1.496 -12.773 1.00 20.65 C ATOM 529 CG TYR A 58 6.201 1.581 -12.570 1.00 24.09 C ATOM 530 CD1 TYR A 58 6.745 1.686 -11.291 1.00 25.78 C ATOM 531 CD2 TYR A 58 7.066 1.696 -13.656 1.00 25.96 C ATOM 532 CE1 TYR A 58 8.119 1.833 -11.101 1.00 25.97 C ATOM 533 CE2 TYR A 58 8.435 1.883 -13.473 1.00 27.97 C ATOM 534 CZ TYR A 58 8.956 1.943 -12.195 1.00 37.69 C ATOM 535 OH TYR A 58 10.308 2.098 -12.013 1.00 43.86 O ATOM 536 HH TYR A 58 10.509 2.121 -11.044 1.00 0.00 H ATOM 537 H TYR A 58 2.202 1.940 -13.261 1.00 0.00 H ATOM 538 N SER A 59 4.659 3.886 -14.725 1.00 23.97 N ATOM 539 CA SER A 59 5.334 4.831 -15.639 1.00 25.43 C ATOM 540 C SER A 59 4.883 6.296 -15.467 1.00 30.44 C ATOM 541 O SER A 59 5.676 7.202 -15.707 1.00 30.63 O ATOM 542 CB SER A 59 5.194 4.376 -17.089 1.00 27.77 C ATOM 543 OG SER A 59 5.768 3.090 -17.251 1.00 34.99 O ATOM 544 HG SER A 59 5.303 2.446 -16.660 1.00 0.00 H ATOM 545 H SER A 59 4.077 3.132 -15.143 1.00 0.00 H ATOM 546 N ILE A 60 3.644 6.521 -15.005 1.00 27.57 N ATOM 547 CA ILE A 60 3.109 7.859 -14.738 1.00 26.98 C ATOM 548 C ILE A 60 3.738 8.401 -13.469 1.00 29.56 C ATOM 549 O ILE A 60 4.546 9.335 -13.536 1.00 29.46 O ATOM 550 CB ILE A 60 1.537 7.930 -14.696 1.00 29.75 C ATOM 551 CG1 ILE A 60 0.908 7.574 -16.062 1.00 31.35 C ATOM 552 CG2 ILE A 60 1.045 9.335 -14.238 1.00 29.77 C ATOM 553 CD1 ILE A 60 -0.639 7.286 -16.040 1.00 34.64 C ATOM 554 H ILE A 60 3.029 5.701 -14.827 1.00 0.00 H ATOM 555 N PHE A 61 3.400 7.790 -12.316 1.00 26.20 N ATOM 556 CA PHE A 61 3.804 8.280 -11.007 1.00 25.22 C ATOM 557 C PHE A 61 5.304 8.194 -10.693 1.00 27.88 C ATOM 558 O PHE A 61 5.741 8.992 -9.880 1.00 29.29 O ATOM 559 CB PHE A 61 2.972 7.638 -9.896 1.00 25.98 C ATOM 560 CG PHE A 61 1.498 7.918 -10.069 1.00 27.19 C ATOM 561 CD1 PHE A 61 1.029 9.225 -10.187 1.00 29.35 C ATOM 562 CD2 PHE A 61 0.581 6.878 -10.139 1.00 28.53 C ATOM 563 CE1 PHE A 61 -0.332 9.479 -10.399 1.00 29.75 C ATOM 564 CE2 PHE A 61 -0.784 7.137 -10.328 1.00 30.09 C ATOM 565 CZ PHE A 61 -1.227 8.433 -10.450 1.00 28.87 C ATOM 566 H PHE A 61 2.822 6.926 -12.364 1.00 0.00 H ATOM 567 N THR A 62 6.100 7.286 -11.306 1.00 22.71 N ATOM 568 CA THR A 62 7.543 7.272 -10.988 1.00 23.38 C ATOM 569 C THR A 62 8.261 8.492 -11.568 1.00 31.68 C ATOM 570 O THR A 62 9.375 8.817 -11.134 1.00 33.34 O ATOM 571 CB THR A 62 8.244 5.979 -11.426 1.00 30.03 C ATOM 572 OG1 THR A 62 9.568 6.024 -10.885 1.00 37.49 O ATOM 573 CG2 THR A 62 8.354 5.850 -12.975 1.00 26.21 C ATOM 574 HG1 THR A 62 10.041 6.818 -11.239 1.00 0.00 H ATOM 575 H THR A 62 5.702 6.610 -11.989 1.00 0.00 H ATOM 576 N ASP A 63 7.648 9.126 -12.585 1.00 28.57 N ATOM 577 CA ASP A 63 8.197 10.318 -13.236 1.00 28.65 C ATOM 578 C ASP A 63 7.890 11.540 -12.353 1.00 31.88 C ATOM 579 O ASP A 63 6.727 11.856 -12.115 1.00 28.37 O ATOM 580 CB ASP A 63 7.613 10.467 -14.652 1.00 30.37 C ATOM 581 CG ASP A 63 8.043 11.707 -15.427 1.00 38.11 C ATOM 582 OD1 ASP A 63 8.962 12.421 -14.956 1.00 38.38 O ATOM 583 OD2 ASP A 63 7.518 11.920 -16.543 1.00 41.73 O ATOM 584 H ASP A 63 6.740 8.751 -12.925 1.00 0.00 H ATOM 585 N GLN A 64 8.955 12.237 -11.889 1.00 31.80 N ATOM 586 CA GLN A 64 8.842 13.415 -11.014 1.00 32.35 C ATOM 587 C GLN A 64 7.911 14.491 -11.571 1.00 35.48 C ATOM 588 O GLN A 64 7.255 15.193 -10.813 1.00 33.76 O ATOM 589 CB GLN A 64 10.228 14.001 -10.695 1.00 35.25 C ATOM 590 CG GLN A 64 10.679 13.761 -9.246 1.00 53.07 C ATOM 591 CD GLN A 64 9.844 14.499 -8.217 1.00 64.07 C ATOM 592 OE1 GLN A 64 9.055 13.900 -7.482 1.00 59.76 O ATOM 593 NE2 GLN A 64 10.000 15.815 -8.137 1.00 53.09 N ATOM 594 HE22 GLN A 64 10.671 16.298 -8.767 1.00 0.00 H ATOM 595 HE21 GLN A 64 9.451 16.363 -7.444 1.00 0.00 H ATOM 596 H GLN A 64 9.906 11.922 -12.167 1.00 0.00 H ATOM 597 N LEU A 65 7.825 14.582 -12.899 1.00 33.34 N ATOM 598 CA LEU A 65 6.981 15.524 -13.623 1.00 33.51 C ATOM 599 C LEU A 65 5.472 15.229 -13.420 1.00 33.39 C ATOM 600 O LEU A 65 4.675 16.166 -13.441 1.00 33.14 O ATOM 601 CB LEU A 65 7.364 15.440 -15.109 1.00 34.79 C ATOM 602 CG LEU A 65 6.516 16.197 -16.114 1.00 42.22 C ATOM 603 CD1 LEU A 65 7.278 17.401 -16.659 1.00 44.97 C ATOM 604 CD2 LEU A 65 6.099 15.290 -17.241 1.00 44.33 C ATOM 605 H LEU A 65 8.406 13.929 -13.462 1.00 0.00 H ATOM 606 N LYS A 66 5.083 13.949 -13.213 1.00 27.62 N ATOM 607 CA LYS A 66 3.664 13.550 -13.080 1.00 26.99 C ATOM 608 C LYS A 66 3.282 12.989 -11.685 1.00 31.10 C ATOM 609 O LYS A 66 2.109 12.658 -11.434 1.00 30.24 O ATOM 610 CB LYS A 66 3.337 12.481 -14.142 1.00 30.57 C ATOM 611 CG LYS A 66 3.489 12.966 -15.585 1.00 39.61 C ATOM 612 CD LYS A 66 3.770 11.806 -16.527 1.00 52.91 C ATOM 613 CE LYS A 66 2.863 11.807 -17.733 1.00 69.27 C ATOM 614 NZ LYS A 66 3.015 10.561 -18.533 1.00 73.61 N ATOM 615 HZ1 LYS A 66 3.999 10.479 -18.861 1.00 0.00 H ATOM 616 HZ2 LYS A 66 2.776 9.740 -17.942 1.00 0.00 H ATOM 617 HZ3 LYS A 66 2.377 10.597 -19.353 1.00 0.00 H ATOM 618 H LYS A 66 5.814 13.213 -13.144 1.00 0.00 H ATOM 619 N ARG A 67 4.273 12.842 -10.817 1.00 29.07 N ATOM 620 CA ARG A 67 4.115 12.243 -9.491 1.00 28.07 C ATOM 621 C ARG A 67 3.058 12.892 -8.614 1.00 29.14 C ATOM 622 O ARG A 67 2.337 12.177 -7.913 1.00 28.11 O ATOM 623 CB ARG A 67 5.451 12.198 -8.742 1.00 29.65 C ATOM 624 CG ARG A 67 5.357 11.201 -7.584 1.00 35.39 C ATOM 625 CD ARG A 67 6.659 10.878 -6.964 1.00 31.68 C ATOM 626 NE ARG A 67 7.610 10.291 -7.906 1.00 31.22 N ATOM 627 CZ ARG A 67 8.869 10.047 -7.585 1.00 34.36 C ATOM 628 NH1 ARG A 67 9.311 10.318 -6.367 1.00 25.92 N ATOM 629 NH2 ARG A 67 9.700 9.534 -8.480 1.00 24.09 N ATOM 630 HE ARG A 67 7.284 10.056 -8.865 1.00 0.00 H ATOM 631 HH12 ARG A 67 10.302 10.125 -6.118 1.00 0.00 H ATOM 632 HH11 ARG A 67 8.667 10.724 -5.659 1.00 0.00 H ATOM 633 HH22 ARG A 67 10.689 9.344 -8.222 1.00 0.00 H ATOM 634 HH21 ARG A 67 9.363 9.321 -9.441 1.00 0.00 H ATOM 635 H ARG A 67 5.219 13.172 -11.095 1.00 0.00 H ATOM 636 N ASN A 68 2.968 14.225 -8.640 1.00 24.99 N ATOM 637 CA ASN A 68 2.049 14.924 -7.750 1.00 25.96 C ATOM 638 C ASN A 68 0.650 15.172 -8.360 1.00 32.81 C ATOM 639 O ASN A 68 -0.161 15.875 -7.747 1.00 33.25 O ATOM 640 CB ASN A 68 2.708 16.207 -7.229 1.00 30.51 C ATOM 641 CG ASN A 68 3.837 15.892 -6.262 1.00 52.16 C ATOM 642 OD1 ASN A 68 3.614 15.495 -5.114 1.00 46.05 O ATOM 643 ND2 ASN A 68 5.078 15.991 -6.719 1.00 43.63 N ATOM 644 HD22 ASN A 68 5.250 16.327 -7.688 1.00 0.00 H ATOM 645 HD21 ASN A 68 5.879 15.733 -6.108 1.00 0.00 H ATOM 646 H ASN A 68 3.559 14.769 -9.301 1.00 0.00 H ATOM 647 N LEU A 69 0.346 14.549 -9.525 1.00 28.80 N ATOM 648 CA LEU A 69 -0.978 14.676 -10.148 1.00 28.45 C ATOM 649 C LEU A 69 -2.067 14.166 -9.222 1.00 32.02 C ATOM 650 O LEU A 69 -1.884 13.130 -8.587 1.00 29.71 O ATOM 651 CB LEU A 69 -1.044 13.975 -11.523 1.00 28.40 C ATOM 652 CG LEU A 69 -0.445 14.783 -12.709 1.00 33.63 C ATOM 653 CD1 LEU A 69 -0.418 13.977 -13.971 1.00 33.22 C ATOM 654 CD2 LEU A 69 -1.192 16.090 -12.939 1.00 34.98 C ATOM 655 H LEU A 69 1.070 13.965 -9.990 1.00 0.00 H ATOM 656 N SER A 70 -3.188 14.918 -9.111 1.00 30.83 N ATOM 657 CA SER A 70 -4.302 14.530 -8.230 1.00 30.45 C ATOM 658 C SER A 70 -5.447 13.863 -9.016 1.00 30.72 C ATOM 659 O SER A 70 -6.344 13.281 -8.414 1.00 27.80 O ATOM 660 CB SER A 70 -4.816 15.754 -7.474 1.00 36.47 C ATOM 661 OG SER A 70 -5.161 16.776 -8.396 1.00 50.91 O ATOM 662 HG SER A 70 -5.493 17.567 -7.901 1.00 0.00 H ATOM 663 H SER A 70 -3.264 15.795 -9.664 1.00 0.00 H ATOM 664 N VAL A 71 -5.416 13.987 -10.368 1.00 28.72 N ATOM 665 CA VAL A 71 -6.421 13.494 -11.307 1.00 28.70 C ATOM 666 C VAL A 71 -5.727 12.881 -12.521 1.00 33.09 C ATOM 667 O VAL A 71 -4.821 13.493 -13.091 1.00 32.99 O ATOM 668 CB VAL A 71 -7.415 14.611 -11.799 1.00 34.00 C ATOM 669 CG1 VAL A 71 -8.632 14.000 -12.491 1.00 34.45 C ATOM 670 CG2 VAL A 71 -7.860 15.553 -10.680 1.00 34.48 C ATOM 671 H VAL A 71 -4.596 14.481 -10.775 1.00 0.00 H ATOM 672 N ILE A 72 -6.173 11.684 -12.926 1.00 26.70 N ATOM 673 CA ILE A 72 -5.715 11.012 -14.136 1.00 25.97 C ATOM 674 C ILE A 72 -6.948 10.772 -14.986 1.00 30.20 C ATOM 675 O ILE A 72 -7.916 10.150 -14.518 1.00 27.74 O ATOM 676 CB ILE A 72 -4.921 9.692 -13.861 1.00 28.76 C ATOM 677 CG1 ILE A 72 -3.608 9.942 -13.044 1.00 29.01 C ATOM 678 CG2 ILE A 72 -4.644 8.874 -15.170 1.00 30.66 C ATOM 679 CD1 ILE A 72 -2.497 10.848 -13.682 1.00 34.44 C ATOM 680 H ILE A 72 -6.889 11.206 -12.342 1.00 0.00 H ATOM 681 N ASN A 73 -6.915 11.244 -16.245 1.00 27.08 N ATOM 682 CA ASN A 73 -8.024 10.981 -17.149 1.00 27.99 C ATOM 683 C ASN A 73 -7.570 9.874 -18.085 1.00 33.13 C ATOM 684 O ASN A 73 -6.645 10.092 -18.858 1.00 32.54 O ATOM 685 CB ASN A 73 -8.417 12.238 -17.946 1.00 28.33 C ATOM 686 CG ASN A 73 -9.114 13.315 -17.159 1.00 43.47 C ATOM 687 OD1 ASN A 73 -10.341 13.311 -17.013 1.00 42.58 O ATOM 688 ND2 ASN A 73 -8.364 14.324 -16.740 1.00 33.67 N ATOM 689 HD22 ASN A 73 -7.333 14.298 -16.877 1.00 0.00 H ATOM 690 HD21 ASN A 73 -8.806 15.142 -16.274 1.00 0.00 H ATOM 691 H ASN A 73 -6.097 11.797 -16.572 1.00 0.00 H ATOM 692 N LEU A 74 -8.195 8.680 -18.006 1.00 30.61 N ATOM 693 CA LEU A 74 -7.853 7.555 -18.890 1.00 30.74 C ATOM 694 C LEU A 74 -8.325 7.839 -20.312 1.00 37.53 C ATOM 695 O LEU A 74 -9.201 8.691 -20.489 1.00 36.51 O ATOM 696 CB LEU A 74 -8.465 6.239 -18.383 1.00 30.08 C ATOM 697 CG LEU A 74 -7.952 5.643 -17.076 1.00 32.50 C ATOM 698 CD1 LEU A 74 -8.207 4.157 -17.062 1.00 33.40 C ATOM 699 CD2 LEU A 74 -6.446 5.890 -16.873 1.00 30.90 C ATOM 700 H LEU A 74 -8.944 8.551 -17.296 1.00 0.00 H ATOM 701 N ASP A 75 -7.763 7.145 -21.325 1.00 37.77 N ATOM 702 CA ASP A 75 -8.170 7.381 -22.721 1.00 40.54 C ATOM 703 C ASP A 75 -9.706 7.188 -22.874 1.00 47.87 C ATOM 704 O ASP A 75 -10.271 6.337 -22.177 1.00 48.03 O ATOM 705 CB ASP A 75 -7.313 6.589 -23.741 1.00 43.63 C ATOM 706 CG ASP A 75 -7.822 5.228 -24.184 1.00 61.62 C ATOM 707 OD1 ASP A 75 -8.745 5.183 -25.031 1.00 62.36 O ATOM 708 OD2 ASP A 75 -7.213 4.213 -23.789 1.00 72.55 O ATOM 709 H ASP A 75 -7.033 6.434 -21.117 1.00 0.00 H ATOM 710 N PRO A 76 -10.406 8.058 -23.656 1.00 46.49 N ATOM 711 CA PRO A 76 -11.883 7.989 -23.715 1.00 47.13 C ATOM 712 C PRO A 76 -12.513 6.653 -24.114 1.00 51.79 C ATOM 713 O PRO A 76 -13.719 6.477 -23.899 1.00 52.33 O ATOM 714 CB PRO A 76 -12.259 9.090 -24.714 1.00 50.05 C ATOM 715 CG PRO A 76 -11.003 9.409 -25.449 1.00 54.35 C ATOM 716 CD PRO A 76 -9.897 9.178 -24.474 1.00 48.54 C ATOM 717 N GLU A 77 -11.728 5.723 -24.681 1.00 47.78 N ATOM 718 CA GLU A 77 -12.260 4.425 -25.086 1.00 48.10 C ATOM 719 C GLU A 77 -12.154 3.340 -23.998 1.00 51.36 C ATOM 720 O GLU A 77 -12.652 2.224 -24.197 1.00 52.27 O ATOM 721 CB GLU A 77 -11.660 3.958 -26.416 1.00 49.98 C ATOM 722 CG GLU A 77 -12.562 4.292 -27.596 1.00 62.40 C ATOM 723 CD GLU A 77 -14.005 3.817 -27.526 1.00 79.29 C ATOM 724 OE1 GLU A 77 -14.234 2.613 -27.261 1.00 58.65 O ATOM 725 OE2 GLU A 77 -14.911 4.655 -27.740 1.00 76.96 O ATOM 726 H GLU A 77 -10.721 5.931 -24.835 1.00 0.00 H ATOM 727 N ILE A 78 -11.568 3.671 -22.832 1.00 46.17 N ATOM 728 CA ILE A 78 -11.502 2.715 -21.728 1.00 44.62 C ATOM 729 C ILE A 78 -12.873 2.627 -21.081 1.00 48.16 C ATOM 730 O ILE A 78 -13.471 3.651 -20.751 1.00 49.26 O ATOM 731 CB ILE A 78 -10.329 2.975 -20.743 1.00 46.34 C ATOM 732 CG1 ILE A 78 -8.963 2.798 -21.451 1.00 46.46 C ATOM 733 CG2 ILE A 78 -10.414 2.109 -19.471 1.00 45.88 C ATOM 734 CD1 ILE A 78 -8.749 1.460 -22.313 1.00 49.16 C ATOM 735 H ILE A 78 -11.157 4.619 -22.715 1.00 0.00 H ATOM 736 N ASN A 79 -13.401 1.408 -20.992 1.00 42.47 N ATOM 737 CA ASN A 79 -14.719 1.174 -20.432 1.00 42.42 C ATOM 738 C ASN A 79 -14.661 1.161 -18.894 1.00 42.60 C ATOM 739 O ASN A 79 -13.742 0.553 -18.325 1.00 40.07 O ATOM 740 CB ASN A 79 -15.331 -0.073 -21.057 1.00 44.55 C ATOM 741 CG ASN A 79 -16.128 -0.959 -20.148 1.00 61.95 C ATOM 742 OD1 ASN A 79 -15.668 -2.035 -19.767 1.00 42.21 O ATOM 743 ND2 ASN A 79 -17.369 -0.570 -19.868 1.00 60.84 N ATOM 744 HD22 ASN A 79 -17.716 0.348 -20.211 1.00 0.00 H ATOM 745 HD21 ASN A 79 -17.992 -1.184 -19.306 1.00 0.00 H ATOM 746 H ASN A 79 -12.850 0.596 -21.336 1.00 0.00 H ATOM 747 N PRO A 80 -15.592 1.882 -18.214 1.00 38.68 N ATOM 748 CA PRO A 80 -15.563 1.937 -16.739 1.00 36.92 C ATOM 749 C PRO A 80 -15.721 0.584 -16.070 1.00 37.69 C ATOM 750 O PRO A 80 -15.151 0.387 -15.006 1.00 35.84 O ATOM 751 CB PRO A 80 -16.740 2.856 -16.383 1.00 40.08 C ATOM 752 CG PRO A 80 -17.072 3.583 -17.623 1.00 45.35 C ATOM 753 CD PRO A 80 -16.724 2.663 -18.752 1.00 41.64 C ATOM 754 N GLU A 81 -16.514 -0.329 -16.687 1.00 34.96 N ATOM 755 CA GLU A 81 -16.757 -1.677 -16.192 1.00 34.52 C ATOM 756 C GLU A 81 -15.413 -2.400 -16.024 1.00 35.17 C ATOM 757 O GLU A 81 -15.083 -2.832 -14.923 1.00 33.89 O ATOM 758 CB GLU A 81 -17.659 -2.442 -17.169 1.00 37.72 C ATOM 759 CG GLU A 81 -17.953 -3.876 -16.769 1.00 45.13 C ATOM 760 CD GLU A 81 -18.515 -4.767 -17.859 1.00 60.94 C ATOM 761 OE1 GLU A 81 -18.281 -4.484 -19.057 1.00 63.18 O ATOM 762 OE2 GLU A 81 -19.145 -5.788 -17.505 1.00 49.20 O ATOM 763 H GLU A 81 -16.979 -0.047 -17.573 1.00 0.00 H ATOM 764 N GLY A 82 -14.660 -2.503 -17.116 1.00 30.15 N ATOM 765 CA GLY A 82 -13.358 -3.154 -17.126 1.00 29.27 C ATOM 766 C GLY A 82 -12.373 -2.547 -16.155 1.00 29.50 C ATOM 767 O GLY A 82 -11.654 -3.289 -15.482 1.00 28.23 O ATOM 768 H GLY A 82 -15.019 -2.099 -18.005 1.00 0.00 H ATOM 769 N PHE A 83 -12.352 -1.186 -16.058 1.00 24.89 N ATOM 770 CA PHE A 83 -11.464 -0.493 -15.128 1.00 24.23 C ATOM 771 C PHE A 83 -11.842 -0.884 -13.696 1.00 27.07 C ATOM 772 O PHE A 83 -10.961 -1.248 -12.924 1.00 24.67 O ATOM 773 CB PHE A 83 -11.476 1.052 -15.275 1.00 25.23 C ATOM 774 CG PHE A 83 -10.467 1.658 -14.325 1.00 25.21 C ATOM 775 CD1 PHE A 83 -9.104 1.576 -14.589 1.00 27.32 C ATOM 776 CD2 PHE A 83 -10.868 2.168 -13.088 1.00 27.39 C ATOM 777 CE1 PHE A 83 -8.165 2.036 -13.663 1.00 28.64 C ATOM 778 CE2 PHE A 83 -9.928 2.631 -12.162 1.00 28.50 C ATOM 779 CZ PHE A 83 -8.586 2.553 -12.445 1.00 27.39 C ATOM 780 H PHE A 83 -12.986 -0.626 -16.663 1.00 0.00 H ATOM 781 N ASN A 84 -13.137 -0.848 -13.373 1.00 24.40 N ATOM 782 CA ASN A 84 -13.647 -1.220 -12.041 1.00 24.27 C ATOM 783 C ASN A 84 -13.224 -2.630 -11.631 1.00 28.18 C ATOM 784 O ASN A 84 -12.883 -2.839 -10.469 1.00 27.67 O ATOM 785 CB ASN A 84 -15.186 -1.093 -11.970 1.00 29.72 C ATOM 786 CG ASN A 84 -15.734 -1.362 -10.588 1.00 51.01 C ATOM 787 OD1 ASN A 84 -15.922 -2.511 -10.168 1.00 51.04 O ATOM 788 ND2 ASN A 84 -15.957 -0.311 -9.835 1.00 44.40 N ATOM 789 HD22 ASN A 84 -15.791 0.644 -10.212 1.00 0.00 H ATOM 790 HD21 ASN A 84 -16.300 -0.433 -8.861 1.00 0.00 H ATOM 791 H ASN A 84 -13.819 -0.543 -14.096 1.00 0.00 H ATOM 792 N ILE A 85 -13.314 -3.599 -12.563 1.00 27.42 N ATOM 793 CA ILE A 85 -12.981 -5.012 -12.338 1.00 26.36 C ATOM 794 C ILE A 85 -11.490 -5.141 -11.967 1.00 25.25 C ATOM 795 O ILE A 85 -11.171 -5.815 -11.001 1.00 23.79 O ATOM 796 CB ILE A 85 -13.399 -5.879 -13.565 1.00 29.93 C ATOM 797 CG1 ILE A 85 -14.931 -6.091 -13.588 1.00 31.89 C ATOM 798 CG2 ILE A 85 -12.635 -7.230 -13.656 1.00 28.29 C ATOM 799 CD1 ILE A 85 -15.537 -6.185 -14.965 1.00 45.67 C ATOM 800 H ILE A 85 -13.643 -3.327 -13.511 1.00 0.00 H ATOM 801 N LEU A 86 -10.627 -4.435 -12.682 1.00 23.92 N ATOM 802 CA LEU A 86 -9.164 -4.422 -12.496 1.00 22.28 C ATOM 803 C LEU A 86 -8.722 -3.664 -11.254 1.00 25.14 C ATOM 804 O LEU A 86 -7.786 -4.111 -10.592 1.00 22.92 O ATOM 805 CB LEU A 86 -8.451 -3.926 -13.755 1.00 22.68 C ATOM 806 CG LEU A 86 -8.636 -4.848 -14.971 1.00 28.48 C ATOM 807 CD1 LEU A 86 -8.186 -4.183 -16.232 1.00 28.00 C ATOM 808 CD2 LEU A 86 -7.966 -6.209 -14.775 1.00 31.93 C ATOM 809 H LEU A 86 -11.015 -3.838 -13.440 1.00 0.00 H ATOM 810 N LEU A 87 -9.413 -2.571 -10.898 1.00 20.75 N ATOM 811 CA LEU A 87 -9.142 -1.834 -9.658 1.00 19.34 C ATOM 812 C LEU A 87 -9.485 -2.721 -8.463 1.00 19.80 C ATOM 813 O LEU A 87 -8.712 -2.809 -7.538 1.00 19.93 O ATOM 814 CB LEU A 87 -9.969 -0.536 -9.624 1.00 19.92 C ATOM 815 CG LEU A 87 -9.722 0.398 -8.475 1.00 23.70 C ATOM 816 CD1 LEU A 87 -8.316 0.959 -8.531 1.00 22.95 C ATOM 817 CD2 LEU A 87 -10.721 1.546 -8.497 1.00 22.02 C ATOM 818 H LEU A 87 -10.170 -2.232 -11.525 1.00 0.00 H ATOM 819 N ASP A 88 -10.634 -3.405 -8.492 1.00 18.45 N ATOM 820 CA ASP A 88 -11.007 -4.358 -7.438 1.00 17.33 C ATOM 821 C ASP A 88 -9.946 -5.447 -7.322 1.00 22.90 C ATOM 822 O ASP A 88 -9.555 -5.791 -6.207 1.00 22.98 O ATOM 823 CB ASP A 88 -12.356 -4.999 -7.762 1.00 20.22 C ATOM 824 CG ASP A 88 -13.578 -4.184 -7.397 1.00 33.09 C ATOM 825 OD1 ASP A 88 -13.433 -3.192 -6.652 1.00 34.49 O ATOM 826 OD2 ASP A 88 -14.692 -4.591 -7.780 1.00 36.08 O ATOM 827 H ASP A 88 -11.286 -3.257 -9.289 1.00 0.00 H ATOM 828 N PHE A 89 -9.467 -5.964 -8.471 1.00 18.94 N ATOM 829 CA PHE A 89 -8.445 -7.006 -8.529 1.00 19.49 C ATOM 830 C PHE A 89 -7.181 -6.533 -7.849 1.00 22.78 C ATOM 831 O PHE A 89 -6.592 -7.273 -7.052 1.00 22.18 O ATOM 832 CB PHE A 89 -8.128 -7.430 -9.984 1.00 21.70 C ATOM 833 CG PHE A 89 -6.802 -8.172 -10.073 1.00 25.14 C ATOM 834 CD1 PHE A 89 -6.707 -9.511 -9.695 1.00 28.63 C ATOM 835 CD2 PHE A 89 -5.632 -7.502 -10.428 1.00 27.57 C ATOM 836 CE1 PHE A 89 -5.467 -10.171 -9.704 1.00 29.17 C ATOM 837 CE2 PHE A 89 -4.396 -8.171 -10.458 1.00 30.03 C ATOM 838 CZ PHE A 89 -4.323 -9.498 -10.104 1.00 27.86 C ATOM 839 H PHE A 89 -9.847 -5.600 -9.368 1.00 0.00 H ATOM 840 N MET A 90 -6.763 -5.286 -8.172 1.00 18.96 N ATOM 841 CA MET A 90 -5.562 -4.678 -7.624 1.00 17.69 C ATOM 842 C MET A 90 -5.608 -4.769 -6.091 1.00 21.53 C ATOM 843 O MET A 90 -4.614 -5.125 -5.454 1.00 22.07 O ATOM 844 CB MET A 90 -5.507 -3.187 -8.026 1.00 18.89 C ATOM 845 CG MET A 90 -5.344 -2.978 -9.509 1.00 21.71 C ATOM 846 SD MET A 90 -4.817 -1.282 -9.796 1.00 23.09 S ATOM 847 CE MET A 90 -4.696 -1.312 -11.563 1.00 21.21 C ATOM 848 H MET A 90 -7.331 -4.735 -8.847 1.00 0.00 H ATOM 849 N TYR A 91 -6.748 -4.402 -5.519 1.00 18.31 N ATOM 850 CA TYR A 91 -6.933 -4.333 -4.070 1.00 17.05 C ATOM 851 C TYR A 91 -7.406 -5.618 -3.380 1.00 22.27 C ATOM 852 O TYR A 91 -7.554 -5.599 -2.143 1.00 22.72 O ATOM 853 CB TYR A 91 -7.934 -3.239 -3.751 1.00 18.65 C ATOM 854 CG TYR A 91 -7.323 -1.864 -3.715 1.00 19.76 C ATOM 855 CD1 TYR A 91 -7.233 -1.092 -4.870 1.00 21.90 C ATOM 856 CD2 TYR A 91 -6.924 -1.287 -2.506 1.00 19.68 C ATOM 857 CE1 TYR A 91 -6.671 0.183 -4.841 1.00 23.16 C ATOM 858 CE2 TYR A 91 -6.430 0.011 -2.458 1.00 20.17 C ATOM 859 CZ TYR A 91 -6.289 0.736 -3.632 1.00 24.97 C ATOM 860 OH TYR A 91 -5.846 2.035 -3.604 1.00 24.45 O ATOM 861 HH TYR A 91 -6.469 2.583 -3.064 1.00 0.00 H ATOM 862 H TYR A 91 -7.550 -4.151 -6.132 1.00 0.00 H ATOM 863 N THR A 92 -7.647 -6.711 -4.143 1.00 21.04 N ATOM 864 CA THR A 92 -8.208 -7.941 -3.550 1.00 20.52 C ATOM 865 C THR A 92 -7.502 -9.239 -3.944 1.00 24.91 C ATOM 866 O THR A 92 -7.728 -10.237 -3.258 1.00 24.78 O ATOM 867 CB THR A 92 -9.730 -8.151 -3.918 1.00 25.81 C ATOM 868 OG1 THR A 92 -9.862 -8.404 -5.327 1.00 23.33 O ATOM 869 CG2 THR A 92 -10.662 -7.029 -3.446 1.00 23.79 C ATOM 870 HG1 THR A 92 -9.506 -7.632 -5.834 1.00 0.00 H ATOM 871 H THR A 92 -7.434 -6.683 -5.161 1.00 0.00 H ATOM 872 N SER A 93 -6.797 -9.277 -5.113 1.00 23.58 N ATOM 873 CA SER A 93 -6.174 -10.492 -5.717 1.00 24.24 C ATOM 874 C SER A 93 -7.247 -11.375 -6.400 1.00 26.22 C ATOM 875 O SER A 93 -6.954 -12.510 -6.818 1.00 27.22 O ATOM 876 CB SER A 93 -5.430 -11.340 -4.676 1.00 28.66 C ATOM 877 OG SER A 93 -4.500 -10.605 -3.904 1.00 29.14 O ATOM 878 HG SER A 93 -4.059 -11.210 -3.257 1.00 0.00 H ATOM 879 H SER A 93 -6.684 -8.381 -5.628 1.00 0.00 H ATOM 880 N ARG A 94 -8.488 -10.872 -6.478 1.00 21.63 N ATOM 881 CA ARG A 94 -9.618 -11.593 -7.071 1.00 23.35 C ATOM 882 C ARG A 94 -10.035 -10.939 -8.377 1.00 26.80 C ATOM 883 O ARG A 94 -10.323 -9.735 -8.415 1.00 25.49 O ATOM 884 CB ARG A 94 -10.801 -11.693 -6.103 1.00 25.70 C ATOM 885 CG ARG A 94 -10.458 -12.352 -4.761 1.00 33.62 C ATOM 886 CD ARG A 94 -11.675 -12.961 -4.092 1.00 42.33 C ATOM 887 NE ARG A 94 -11.313 -14.193 -3.388 1.00 65.06 N ATOM 888 CZ ARG A 94 -12.112 -14.862 -2.561 1.00 83.12 C ATOM 889 NH1 ARG A 94 -13.335 -14.415 -2.299 1.00 73.31 N ATOM 890 NH2 ARG A 94 -11.690 -15.978 -1.982 1.00 68.11 N ATOM 891 HE ARG A 94 -10.358 -14.574 -3.547 1.00 0.00 H ATOM 892 HH12 ARG A 94 -13.954 -14.943 -1.651 1.00 0.00 H ATOM 893 HH11 ARG A 94 -13.674 -13.537 -2.741 1.00 0.00 H ATOM 894 HH22 ARG A 94 -12.318 -16.498 -1.336 1.00 0.00 H ATOM 895 HH21 ARG A 94 -10.731 -16.333 -2.174 1.00 0.00 H ATOM 896 H ARG A 94 -8.658 -9.919 -6.097 1.00 0.00 H ATOM 897 N LEU A 95 -10.015 -11.721 -9.447 1.00 24.09 N ATOM 898 CA LEU A 95 -10.353 -11.261 -10.790 1.00 24.50 C ATOM 899 C LEU A 95 -11.715 -11.813 -11.249 1.00 31.11 C ATOM 900 O LEU A 95 -11.842 -13.022 -11.461 1.00 32.65 O ATOM 901 CB LEU A 95 -9.254 -11.654 -11.786 1.00 24.41 C ATOM 902 CG LEU A 95 -9.455 -11.156 -13.221 1.00 28.88 C ATOM 903 CD1 LEU A 95 -9.369 -9.628 -13.306 1.00 27.96 C ATOM 904 CD2 LEU A 95 -8.486 -11.824 -14.166 1.00 31.70 C ATOM 905 H LEU A 95 -9.743 -12.717 -9.323 1.00 0.00 H ATOM 906 N ASN A 96 -12.709 -10.916 -11.417 1.00 28.37 N ATOM 907 CA ASN A 96 -14.076 -11.260 -11.873 1.00 31.46 C ATOM 908 C ASN A 96 -14.167 -11.350 -13.401 1.00 39.46 C ATOM 909 O ASN A 96 -14.690 -10.443 -14.054 1.00 40.87 O ATOM 910 CB ASN A 96 -15.111 -10.252 -11.300 1.00 33.41 C ATOM 911 CG ASN A 96 -16.568 -10.492 -11.643 1.00 55.63 C ATOM 912 OD1 ASN A 96 -17.029 -11.626 -11.850 1.00 48.09 O ATOM 913 ND2 ASN A 96 -17.326 -9.408 -11.715 1.00 48.41 N ATOM 914 HD22 ASN A 96 -16.912 -8.471 -11.536 1.00 0.00 H ATOM 915 HD21 ASN A 96 -18.335 -9.494 -11.950 1.00 0.00 H ATOM 916 H ASN A 96 -12.502 -9.917 -11.213 1.00 0.00 H ATOM 917 N LEU A 97 -13.643 -12.438 -13.973 1.00 38.81 N ATOM 918 CA LEU A 97 -13.767 -12.680 -15.414 1.00 40.01 C ATOM 919 C LEU A 97 -15.042 -13.475 -15.693 1.00 44.68 C ATOM 920 O LEU A 97 -15.289 -14.497 -15.048 1.00 45.14 O ATOM 921 CB LEU A 97 -12.578 -13.465 -15.979 1.00 40.82 C ATOM 922 CG LEU A 97 -11.375 -12.677 -16.481 1.00 45.98 C ATOM 923 CD1 LEU A 97 -10.375 -13.615 -17.152 1.00 47.27 C ATOM 924 CD2 LEU A 97 -11.790 -11.580 -17.450 1.00 47.82 C ATOM 925 H LEU A 97 -13.136 -13.128 -13.383 1.00 0.00 H ATOM 926 N ARG A 98 -15.841 -13.008 -16.655 1.00 41.69 N ATOM 927 CA ARG A 98 -17.076 -13.662 -17.116 1.00 42.59 C ATOM 928 C ARG A 98 -17.136 -13.569 -18.642 1.00 46.28 C ATOM 929 O ARG A 98 -16.240 -12.977 -19.242 1.00 43.61 O ATOM 930 CB ARG A 98 -18.319 -13.016 -16.485 1.00 43.66 C ATOM 931 CG ARG A 98 -18.598 -13.475 -15.073 1.00 50.82 C ATOM 932 CD ARG A 98 -19.467 -12.465 -14.349 1.00 65.46 C ATOM 933 NE ARG A 98 -19.798 -12.893 -12.988 1.00 76.14 N ATOM 934 CZ ARG A 98 -21.001 -12.771 -12.433 1.00 88.69 C ATOM 935 NH1 ARG A 98 -22.004 -12.228 -13.115 1.00 74.53 N ATOM 936 NH2 ARG A 98 -21.211 -13.190 -11.193 1.00 74.36 N ATOM 937 HE ARG A 98 -19.042 -13.321 -12.417 1.00 0.00 H ATOM 938 HH12 ARG A 98 -22.942 -12.136 -12.675 1.00 0.00 H ATOM 939 HH11 ARG A 98 -21.851 -11.895 -14.088 1.00 0.00 H ATOM 940 HH22 ARG A 98 -22.153 -13.092 -10.764 1.00 0.00 H ATOM 941 HH21 ARG A 98 -20.434 -13.616 -10.649 1.00 0.00 H ATOM 942 H ARG A 98 -15.570 -12.115 -17.113 1.00 0.00 H ATOM 943 N GLU A 99 -18.178 -14.142 -19.269 1.00 44.23 N ATOM 944 CA GLU A 99 -18.351 -14.113 -20.730 1.00 45.59 C ATOM 945 C GLU A 99 -18.713 -12.701 -21.246 1.00 50.38 C ATOM 946 O GLU A 99 -18.266 -12.300 -22.323 1.00 50.33 O ATOM 947 CB GLU A 99 -19.420 -15.141 -21.181 1.00 49.40 C ATOM 948 CG GLU A 99 -19.110 -16.592 -20.846 1.00 61.13 C ATOM 949 CD GLU A 99 -20.184 -17.578 -21.272 1.00 86.59 C ATOM 950 OE1 GLU A 99 -19.988 -18.267 -22.299 1.00 83.30 O ATOM 951 OE2 GLU A 99 -21.224 -17.660 -20.579 1.00 83.44 O ATOM 952 H GLU A 99 -18.895 -14.629 -18.695 1.00 0.00 H ATOM 953 N GLY A 100 -19.519 -11.973 -20.475 1.00 48.52 N ATOM 954 CA GLY A 100 -19.996 -10.639 -20.831 1.00 48.66 C ATOM 955 C GLY A 100 -19.017 -9.490 -20.651 1.00 50.64 C ATOM 956 O GLY A 100 -19.281 -8.384 -21.137 1.00 50.50 O ATOM 957 H GLY A 100 -19.826 -12.378 -19.568 1.00 0.00 H ATOM 958 N ASN A 101 -17.885 -9.733 -19.965 1.00 45.52 N ATOM 959 CA ASN A 101 -16.877 -8.698 -19.685 1.00 43.35 C ATOM 960 C ASN A 101 -15.454 -9.012 -20.194 1.00 46.04 C ATOM 961 O ASN A 101 -14.631 -8.088 -20.257 1.00 45.29 O ATOM 962 CB ASN A 101 -16.844 -8.363 -18.164 1.00 39.17 C ATOM 963 CG ASN A 101 -16.260 -9.427 -17.244 1.00 47.44 C ATOM 964 OD1 ASN A 101 -15.487 -10.296 -17.646 1.00 33.45 O ATOM 965 ND2 ASN A 101 -16.580 -9.357 -15.959 1.00 42.52 N ATOM 966 HD22 ASN A 101 -17.234 -8.620 -15.625 1.00 0.00 H ATOM 967 HD21 ASN A 101 -16.177 -10.039 -15.285 1.00 0.00 H ATOM 968 H ASN A 101 -17.714 -10.698 -19.616 1.00 0.00 H ATOM 969 N ILE A 102 -15.157 -10.296 -20.505 1.00 41.71 N ATOM 970 CA ILE A 102 -13.832 -10.804 -20.907 1.00 41.75 C ATOM 971 C ILE A 102 -13.082 -9.869 -21.884 1.00 45.95 C ATOM 972 O ILE A 102 -11.932 -9.487 -21.610 1.00 42.86 O ATOM 973 CB ILE A 102 -13.869 -12.283 -21.418 1.00 46.43 C ATOM 974 CG1 ILE A 102 -12.485 -12.790 -21.898 1.00 46.24 C ATOM 975 CG2 ILE A 102 -14.946 -12.533 -22.486 1.00 49.78 C ATOM 976 CD1 ILE A 102 -11.488 -13.090 -20.845 1.00 48.89 C ATOM 977 H ILE A 102 -15.933 -10.986 -20.456 1.00 0.00 H ATOM 978 N MET A 103 -13.724 -9.501 -23.003 1.00 44.99 N ATOM 979 CA MET A 103 -13.086 -8.630 -23.984 1.00 44.52 C ATOM 980 C MET A 103 -12.749 -7.258 -23.401 1.00 47.89 C ATOM 981 O MET A 103 -11.616 -6.797 -23.575 1.00 46.47 O ATOM 982 CB MET A 103 -13.901 -8.538 -25.279 1.00 48.42 C ATOM 983 CG MET A 103 -14.030 -9.872 -26.010 1.00 53.88 C ATOM 984 SD MET A 103 -12.548 -10.925 -26.024 1.00 57.70 S ATOM 985 CE MET A 103 -11.573 -10.087 -27.244 1.00 54.06 C ATOM 986 H MET A 103 -14.692 -9.842 -23.174 1.00 0.00 H ATOM 987 N ALA A 104 -13.696 -6.652 -22.646 1.00 43.14 N ATOM 988 CA ALA A 104 -13.514 -5.349 -22.005 1.00 40.73 C ATOM 989 C ALA A 104 -12.373 -5.386 -20.986 1.00 40.79 C ATOM 990 O ALA A 104 -11.527 -4.505 -21.020 1.00 38.57 O ATOM 991 CB ALA A 104 -14.806 -4.890 -21.352 1.00 41.77 C ATOM 992 H ALA A 104 -14.605 -7.141 -22.514 1.00 0.00 H ATOM 993 N VAL A 105 -12.309 -6.441 -20.147 1.00 36.29 N ATOM 994 CA VAL A 105 -11.272 -6.627 -19.125 1.00 33.58 C ATOM 995 C VAL A 105 -9.877 -6.805 -19.747 1.00 33.13 C ATOM 996 O VAL A 105 -8.948 -6.135 -19.309 1.00 29.97 O ATOM 997 CB VAL A 105 -11.616 -7.774 -18.137 1.00 38.21 C ATOM 998 CG1 VAL A 105 -10.470 -8.022 -17.149 1.00 36.90 C ATOM 999 CG2 VAL A 105 -12.909 -7.471 -17.380 1.00 38.38 C ATOM 1000 H VAL A 105 -13.044 -7.172 -20.230 1.00 0.00 H ATOM 1001 N MET A 106 -9.735 -7.713 -20.753 1.00 30.84 N ATOM 1002 CA MET A 106 -8.469 -7.986 -21.424 1.00 30.74 C ATOM 1003 C MET A 106 -7.926 -6.703 -22.055 1.00 32.31 C ATOM 1004 O MET A 106 -6.764 -6.369 -21.831 1.00 29.36 O ATOM 1005 CB MET A 106 -8.639 -9.077 -22.481 1.00 35.58 C ATOM 1006 CG MET A 106 -7.316 -9.587 -23.045 1.00 41.30 C ATOM 1007 SD MET A 106 -7.469 -11.170 -23.914 1.00 50.07 S ATOM 1008 CE MET A 106 -8.911 -10.849 -24.904 1.00 48.07 C ATOM 1009 H MET A 106 -10.577 -8.241 -21.060 1.00 0.00 H ATOM 1010 N ALA A 107 -8.792 -5.967 -22.780 1.00 31.06 N ATOM 1011 CA ALA A 107 -8.458 -4.703 -23.448 1.00 32.27 C ATOM 1012 C ALA A 107 -8.036 -3.645 -22.453 1.00 33.44 C ATOM 1013 O ALA A 107 -7.097 -2.901 -22.727 1.00 33.43 O ATOM 1014 CB ALA A 107 -9.642 -4.213 -24.272 1.00 34.51 C ATOM 1015 H ALA A 107 -9.766 -6.320 -22.873 1.00 0.00 H ATOM 1016 N THR A 108 -8.695 -3.604 -21.274 1.00 28.66 N ATOM 1017 CA THR A 108 -8.365 -2.648 -20.206 1.00 27.40 C ATOM 1018 C THR A 108 -7.030 -3.034 -19.532 1.00 29.60 C ATOM 1019 O THR A 108 -6.226 -2.152 -19.272 1.00 27.79 O ATOM 1020 CB THR A 108 -9.544 -2.458 -19.222 1.00 33.82 C ATOM 1021 OG1 THR A 108 -10.739 -2.173 -19.959 1.00 30.78 O ATOM 1022 CG2 THR A 108 -9.299 -1.333 -18.223 1.00 34.87 C ATOM 1023 HG1 THR A 108 -10.936 -2.927 -20.570 1.00 0.00 H ATOM 1024 H THR A 108 -9.470 -4.279 -21.115 1.00 0.00 H ATOM 1025 N ALA A 109 -6.787 -4.349 -19.296 1.00 25.32 N ATOM 1026 CA ALA A 109 -5.533 -4.861 -18.723 1.00 23.09 C ATOM 1027 C ALA A 109 -4.339 -4.577 -19.619 1.00 27.40 C ATOM 1028 O ALA A 109 -3.244 -4.291 -19.109 1.00 25.68 O ATOM 1029 CB ALA A 109 -5.652 -6.353 -18.472 1.00 24.27 C ATOM 1030 H ALA A 109 -7.532 -5.035 -19.535 1.00 0.00 H ATOM 1031 N MET A 110 -4.542 -4.648 -20.959 1.00 24.71 N ATOM 1032 CA MET A 110 -3.492 -4.355 -21.944 1.00 25.77 C ATOM 1033 C MET A 110 -3.119 -2.876 -21.826 1.00 30.38 C ATOM 1034 O MET A 110 -1.938 -2.523 -21.759 1.00 28.14 O ATOM 1035 CB MET A 110 -3.995 -4.647 -23.357 1.00 29.14 C ATOM 1036 CG MET A 110 -4.159 -6.115 -23.654 1.00 34.54 C ATOM 1037 SD MET A 110 -4.836 -6.356 -25.309 1.00 40.44 S ATOM 1038 CE MET A 110 -3.578 -5.515 -26.281 1.00 37.33 C ATOM 1039 H MET A 110 -5.484 -4.922 -21.304 1.00 0.00 H ATOM 1040 N TYR A 111 -4.157 -2.011 -21.781 1.00 28.05 N ATOM 1041 CA TYR A 111 -3.973 -0.576 -21.628 1.00 28.19 C ATOM 1042 C TYR A 111 -3.295 -0.266 -20.291 1.00 28.94 C ATOM 1043 O TYR A 111 -2.369 0.531 -20.247 1.00 28.46 O ATOM 1044 CB TYR A 111 -5.322 0.157 -21.763 1.00 30.38 C ATOM 1045 CG TYR A 111 -5.233 1.629 -21.422 1.00 32.96 C ATOM 1046 CD1 TYR A 111 -4.611 2.528 -22.282 1.00 36.14 C ATOM 1047 CD2 TYR A 111 -5.731 2.115 -20.216 1.00 33.10 C ATOM 1048 CE1 TYR A 111 -4.496 3.879 -21.956 1.00 38.96 C ATOM 1049 CE2 TYR A 111 -5.648 3.466 -19.892 1.00 33.71 C ATOM 1050 CZ TYR A 111 -5.021 4.345 -20.762 1.00 44.50 C ATOM 1051 OH TYR A 111 -4.929 5.682 -20.460 1.00 43.26 O ATOM 1052 HH TYR A 111 -4.453 6.152 -21.190 1.00 0.00 H ATOM 1053 H TYR A 111 -5.124 -2.386 -21.859 1.00 0.00 H ATOM 1054 N LEU A 112 -3.734 -0.917 -19.205 1.00 24.27 N ATOM 1055 CA LEU A 112 -3.132 -0.670 -17.902 1.00 22.89 C ATOM 1056 C LEU A 112 -1.760 -1.346 -17.745 1.00 26.62 C ATOM 1057 O LEU A 112 -1.074 -1.058 -16.767 1.00 27.96 O ATOM 1058 CB LEU A 112 -4.071 -1.078 -16.754 1.00 22.32 C ATOM 1059 CG LEU A 112 -5.371 -0.274 -16.599 1.00 27.05 C ATOM 1060 CD1 LEU A 112 -6.123 -0.745 -15.373 1.00 27.96 C ATOM 1061 CD2 LEU A 112 -5.090 1.247 -16.506 1.00 27.51 C ATOM 1062 H LEU A 112 -4.510 -1.604 -19.293 1.00 0.00 H ATOM 1063 N GLN A 113 -1.353 -2.203 -18.718 1.00 21.66 N ATOM 1064 CA GLN A 113 -0.081 -2.960 -18.679 1.00 22.97 C ATOM 1065 C GLN A 113 -0.053 -3.851 -17.411 1.00 28.08 C ATOM 1066 O GLN A 113 0.681 -3.608 -16.443 1.00 27.55 O ATOM 1067 CB GLN A 113 1.151 -2.048 -18.780 1.00 23.62 C ATOM 1068 CG GLN A 113 1.117 -1.065 -19.967 1.00 23.09 C ATOM 1069 CD GLN A 113 2.170 0.019 -19.879 1.00 41.51 C ATOM 1070 OE1 GLN A 113 1.962 1.150 -20.330 1.00 35.86 O ATOM 1071 NE2 GLN A 113 3.321 -0.294 -19.295 1.00 32.64 N ATOM 1072 HE22 GLN A 113 3.471 -1.254 -18.923 1.00 0.00 H ATOM 1073 HE21 GLN A 113 4.072 0.420 -19.209 1.00 0.00 H ATOM 1074 H GLN A 113 -1.974 -2.335 -19.542 1.00 0.00 H ATOM 1075 N MET A 114 -0.940 -4.830 -17.411 1.00 25.14 N ATOM 1076 CA MET A 114 -1.110 -5.835 -16.360 1.00 24.78 C ATOM 1077 C MET A 114 -0.919 -7.219 -17.023 1.00 30.70 C ATOM 1078 O MET A 114 -1.888 -7.909 -17.316 1.00 28.35 O ATOM 1079 CB MET A 114 -2.489 -5.660 -15.695 1.00 26.20 C ATOM 1080 CG MET A 114 -2.631 -4.326 -14.953 1.00 26.59 C ATOM 1081 SD MET A 114 -4.317 -3.960 -14.407 1.00 26.86 S ATOM 1082 CE MET A 114 -4.405 -4.980 -12.993 1.00 22.26 C ATOM 1083 H MET A 114 -1.575 -4.892 -18.232 1.00 0.00 H ATOM 1084 N GLU A 115 0.357 -7.598 -17.281 1.00 29.42 N ATOM 1085 CA GLU A 115 0.754 -8.787 -18.040 1.00 32.15 C ATOM 1086 C GLU A 115 0.167 -10.107 -17.540 1.00 36.64 C ATOM 1087 O GLU A 115 -0.226 -10.916 -18.376 1.00 38.00 O ATOM 1088 CB GLU A 115 2.293 -8.880 -18.178 1.00 34.57 C ATOM 1089 CG GLU A 115 2.984 -10.009 -17.422 1.00 49.57 C ATOM 1090 CD GLU A 115 4.084 -9.586 -16.469 1.00 74.12 C ATOM 1091 OE1 GLU A 115 4.767 -8.577 -16.755 1.00 61.39 O ATOM 1092 OE2 GLU A 115 4.289 -10.290 -15.453 1.00 75.90 O ATOM 1093 H GLU A 115 1.118 -6.994 -16.909 1.00 0.00 H ATOM 1094 N HIS A 116 0.126 -10.333 -16.209 1.00 34.64 N ATOM 1095 CA HIS A 116 -0.396 -11.557 -15.599 1.00 35.43 C ATOM 1096 C HIS A 116 -1.885 -11.658 -15.863 1.00 35.46 C ATOM 1097 O HIS A 116 -2.343 -12.715 -16.274 1.00 35.98 O ATOM 1098 CB HIS A 116 -0.074 -11.604 -14.084 1.00 36.89 C ATOM 1099 CG HIS A 116 -0.047 -12.979 -13.483 1.00 42.21 C ATOM 1100 ND1 HIS A 116 -0.193 -13.165 -12.114 1.00 44.00 N ATOM 1101 CD2 HIS A 116 0.127 -14.188 -14.069 1.00 45.95 C ATOM 1102 CE1 HIS A 116 -0.115 -14.472 -11.919 1.00 44.62 C ATOM 1103 NE2 HIS A 116 0.067 -15.130 -13.065 1.00 46.10 N ATOM 1104 H HIS A 116 0.488 -9.590 -15.578 1.00 0.00 H ATOM 1105 N VAL A 117 -2.628 -10.542 -15.713 1.00 28.91 N ATOM 1106 CA VAL A 117 -4.072 -10.497 -16.005 1.00 27.69 C ATOM 1107 C VAL A 117 -4.313 -10.752 -17.514 1.00 31.93 C ATOM 1108 O VAL A 117 -5.201 -11.543 -17.870 1.00 31.07 O ATOM 1109 CB VAL A 117 -4.733 -9.177 -15.514 1.00 28.99 C ATOM 1110 CG1 VAL A 117 -6.163 -9.046 -16.040 1.00 28.54 C ATOM 1111 CG2 VAL A 117 -4.715 -9.100 -13.985 1.00 27.71 C ATOM 1112 H VAL A 117 -2.161 -9.676 -15.377 1.00 0.00 H ATOM 1113 N VAL A 118 -3.530 -10.085 -18.386 1.00 28.66 N ATOM 1114 CA VAL A 118 -3.644 -10.261 -19.849 1.00 29.42 C ATOM 1115 C VAL A 118 -3.498 -11.746 -20.223 1.00 35.84 C ATOM 1116 O VAL A 118 -4.410 -12.308 -20.826 1.00 35.35 O ATOM 1117 CB VAL A 118 -2.713 -9.330 -20.668 1.00 32.51 C ATOM 1118 CG1 VAL A 118 -2.790 -9.648 -22.165 1.00 33.65 C ATOM 1119 CG2 VAL A 118 -3.042 -7.859 -20.427 1.00 30.99 C ATOM 1120 H VAL A 118 -2.820 -9.422 -18.015 1.00 0.00 H ATOM 1121 N ASP A 119 -2.401 -12.388 -19.776 1.00 33.77 N ATOM 1122 CA ASP A 119 -2.132 -13.814 -19.977 1.00 35.83 C ATOM 1123 C ASP A 119 -3.219 -14.749 -19.386 1.00 37.51 C ATOM 1124 O ASP A 119 -3.432 -15.816 -19.941 1.00 37.55 O ATOM 1125 CB ASP A 119 -0.741 -14.178 -19.442 1.00 38.62 C ATOM 1126 CG ASP A 119 0.377 -13.839 -20.402 1.00 58.91 C ATOM 1127 OD1 ASP A 119 0.371 -14.378 -21.542 1.00 63.56 O ATOM 1128 OD2 ASP A 119 1.286 -13.076 -20.005 1.00 64.91 O ATOM 1129 H ASP A 119 -1.696 -11.832 -19.251 1.00 0.00 H ATOM 1130 N THR A 120 -3.880 -14.349 -18.260 1.00 31.65 N ATOM 1131 CA THR A 120 -4.971 -15.075 -17.603 1.00 32.29 C ATOM 1132 C THR A 120 -6.244 -14.956 -18.441 1.00 38.18 C ATOM 1133 O THR A 120 -6.992 -15.923 -18.547 1.00 39.70 O ATOM 1134 CB THR A 120 -5.179 -14.554 -16.152 1.00 35.72 C ATOM 1135 OG1 THR A 120 -4.040 -14.906 -15.380 1.00 38.14 O ATOM 1136 CG2 THR A 120 -6.429 -15.128 -15.491 1.00 34.95 C ATOM 1137 HG1 THR A 120 -3.233 -14.491 -15.776 1.00 0.00 H ATOM 1138 H THR A 120 -3.583 -13.450 -17.830 1.00 0.00 H ATOM 1139 N CYS A 121 -6.487 -13.768 -19.023 1.00 36.29 N ATOM 1140 CA CYS A 121 -7.620 -13.500 -19.912 1.00 37.39 C ATOM 1141 C CYS A 121 -7.475 -14.424 -21.149 1.00 42.42 C ATOM 1142 O CYS A 121 -8.474 -14.919 -21.659 1.00 42.83 O ATOM 1143 CB CYS A 121 -7.653 -12.029 -20.321 1.00 37.25 C ATOM 1144 SG CYS A 121 -8.232 -10.896 -19.028 1.00 39.75 S ATOM 1145 H CYS A 121 -5.827 -12.988 -18.829 1.00 0.00 H ATOM 1146 N ARG A 122 -6.218 -14.689 -21.567 1.00 39.67 N ATOM 1147 CA ARG A 122 -5.853 -15.556 -22.698 1.00 41.77 C ATOM 1148 C ARG A 122 -6.096 -17.035 -22.370 1.00 48.14 C ATOM 1149 O ARG A 122 -6.627 -17.767 -23.209 1.00 49.77 O ATOM 1150 CB ARG A 122 -4.392 -15.326 -23.104 1.00 40.36 C ATOM 1151 CG ARG A 122 -4.174 -14.012 -23.844 1.00 47.54 C ATOM 1152 CD ARG A 122 -2.804 -13.945 -24.492 1.00 60.40 C ATOM 1153 NE ARG A 122 -2.657 -14.912 -25.582 1.00 65.03 N ATOM 1154 CZ ARG A 122 -1.724 -14.843 -26.528 1.00 74.85 C ATOM 1155 NH1 ARG A 122 -0.843 -13.847 -26.532 1.00 64.25 N ATOM 1156 NH2 ARG A 122 -1.664 -15.766 -27.476 1.00 51.24 N ATOM 1157 HE ARG A 122 -3.327 -15.706 -25.619 1.00 0.00 H ATOM 1158 HH12 ARG A 122 -0.116 -13.799 -27.274 1.00 0.00 H ATOM 1159 HH11 ARG A 122 -0.881 -13.116 -25.793 1.00 0.00 H ATOM 1160 HH22 ARG A 122 -0.933 -15.707 -28.213 1.00 0.00 H ATOM 1161 HH21 ARG A 122 -2.348 -16.549 -27.483 1.00 0.00 H ATOM 1162 H ARG A 122 -5.440 -14.240 -21.043 1.00 0.00 H ATOM 1163 N LYS A 123 -5.703 -17.475 -21.157 1.00 44.77 N ATOM 1164 CA LYS A 123 -5.932 -18.847 -20.684 1.00 46.04 C ATOM 1165 C LYS A 123 -7.440 -19.110 -20.613 1.00 51.12 C ATOM 1166 O LYS A 123 -7.879 -20.212 -20.935 1.00 52.51 O ATOM 1167 CB LYS A 123 -5.278 -19.091 -19.307 1.00 47.15 C ATOM 1168 CG LYS A 123 -3.751 -19.175 -19.337 1.00 45.93 C ATOM 1169 CD LYS A 123 -3.171 -19.062 -17.944 1.00 56.39 C ATOM 1170 CE LYS A 123 -1.678 -18.870 -17.952 1.00 70.08 C ATOM 1171 NZ LYS A 123 -1.160 -18.612 -16.582 1.00 82.94 N ATOM 1172 HZ1 LYS A 123 -1.603 -17.752 -16.201 1.00 0.00 H ATOM 1173 HZ2 LYS A 123 -1.387 -19.421 -15.969 1.00 0.00 H ATOM 1174 HZ3 LYS A 123 -0.129 -18.484 -16.621 1.00 0.00 H ATOM 1175 H LYS A 123 -5.213 -16.810 -20.525 1.00 0.00 H ATOM 1176 N PHE A 124 -8.228 -18.074 -20.239 1.00 45.93 N ATOM 1177 CA PHE A 124 -9.693 -18.115 -20.141 1.00 45.98 C ATOM 1178 C PHE A 124 -10.338 -18.370 -21.513 1.00 51.33 C ATOM 1179 O PHE A 124 -11.210 -19.240 -21.622 1.00 52.45 O ATOM 1180 CB PHE A 124 -10.225 -16.815 -19.508 1.00 45.67 C ATOM 1181 CG PHE A 124 -11.655 -16.889 -19.034 1.00 47.64 C ATOM 1182 CD1 PHE A 124 -11.958 -17.353 -17.759 1.00 49.94 C ATOM 1183 CD2 PHE A 124 -12.698 -16.469 -19.850 1.00 50.51 C ATOM 1184 CE1 PHE A 124 -13.281 -17.417 -17.318 1.00 51.18 C ATOM 1185 CE2 PHE A 124 -14.024 -16.535 -19.407 1.00 53.64 C ATOM 1186 CZ PHE A 124 -14.304 -17.009 -18.143 1.00 51.03 C ATOM 1187 H PHE A 124 -7.758 -17.177 -20.002 1.00 0.00 H ATOM 1188 N ILE A 125 -9.899 -17.633 -22.558 1.00 47.37 N ATOM 1189 CA ILE A 125 -10.393 -17.816 -23.938 1.00 48.25 C ATOM 1190 C ILE A 125 -10.039 -19.230 -24.455 1.00 53.57 C ATOM 1191 O ILE A 125 -10.888 -19.905 -25.045 1.00 54.98 O ATOM 1192 CB ILE A 125 -9.920 -16.647 -24.854 1.00 50.54 C ATOM 1193 CG1 ILE A 125 -10.842 -15.434 -24.656 1.00 50.47 C ATOM 1194 CG2 ILE A 125 -9.838 -17.023 -26.352 1.00 51.81 C ATOM 1195 CD1 ILE A 125 -10.139 -14.148 -24.460 1.00 54.49 C ATOM 1196 H ILE A 125 -9.180 -16.903 -22.382 1.00 0.00 H ATOM 1197 N LYS A 126 -8.815 -19.689 -24.148 1.00 48.61 N ATOM 1198 CA LYS A 126 -8.266 -20.997 -24.495 1.00 49.53 C ATOM 1199 C LYS A 126 -9.059 -22.138 -23.831 1.00 56.91 C ATOM 1200 O LYS A 126 -9.219 -23.191 -24.446 1.00 59.39 O ATOM 1201 CB LYS A 126 -6.795 -21.039 -24.058 1.00 50.27 C ATOM 1202 CG LYS A 126 -5.895 -21.969 -24.839 1.00 58.68 C ATOM 1203 CD LYS A 126 -4.429 -21.636 -24.551 1.00 61.85 C ATOM 1204 CE LYS A 126 -3.468 -22.745 -24.906 1.00 75.11 C ATOM 1205 NZ LYS A 126 -3.574 -23.898 -23.970 1.00 84.29 N ATOM 1206 HZ1 LYS A 126 -3.359 -23.579 -23.004 1.00 0.00 H ATOM 1207 HZ2 LYS A 126 -4.540 -24.282 -24.003 1.00 0.00 H ATOM 1208 HZ3 LYS A 126 -2.897 -24.635 -24.252 1.00 0.00 H ATOM 1209 H LYS A 126 -8.196 -19.049 -23.610 1.00 0.00 H ATOM 1210 N ALA A 127 -9.567 -21.918 -22.592 1.00 53.62 N ATOM 1211 CA ALA A 127 -10.330 -22.896 -21.802 1.00 55.16 C ATOM 1212 C ALA A 127 -11.825 -22.993 -22.149 1.00 60.77 C ATOM 1213 O ALA A 127 -12.384 -22.076 -22.752 1.00 59.04 O ATOM 1214 CB ALA A 127 -10.153 -22.621 -20.320 1.00 54.33 C ATOM 1215 H ALA A 127 -9.404 -20.983 -22.167 1.00 0.00 H ATOM 1216 N SER A 128 -12.460 -24.120 -21.741 1.00 60.22 N ATOM 1217 CA SER A 128 -13.871 -24.497 -21.948 1.00 86.32 C ATOM 1218 C SER A 128 -14.419 -24.328 -23.379 1.00129.70 C ATOM 1219 O SER A 128 -14.835 -23.243 -23.788 1.00 97.39 O ATOM 1220 CB SER A 128 -14.786 -23.877 -20.892 1.00 87.91 C ATOM 1221 OG SER A 128 -14.716 -22.462 -20.873 1.00 92.63 O ATOM 1222 HG SER A 128 -14.987 -22.107 -21.757 1.00 0.00 H ATOM 1223 H SER A 128 -11.879 -24.804 -21.216 1.00 0.00 H TER 1224 SER A 128 ATOM 1225 N ASP B 6 -15.404 -16.536 -3.396 1.00 56.08 N ATOM 1226 CA ASP B 6 -16.489 -16.371 -4.355 1.00 56.85 C ATOM 1227 C ASP B 6 -16.071 -16.775 -5.779 1.00 59.73 C ATOM 1228 O ASP B 6 -14.964 -17.288 -5.962 1.00 59.49 O ATOM 1229 CB ASP B 6 -17.080 -14.941 -4.282 1.00 58.29 C ATOM 1230 CG ASP B 6 -16.187 -13.797 -4.736 1.00 66.36 C ATOM 1231 OD1 ASP B 6 -14.944 -13.890 -4.547 1.00 64.84 O ATOM 1232 OD2 ASP B 6 -16.734 -12.779 -5.224 1.00 71.33 O ATOM 1233 HN3 ASP B 6 -14.600 -15.941 -3.679 1.00 0.00 H ATOM 1234 HN2 ASP B 6 -15.109 -17.533 -3.376 1.00 0.00 H ATOM 1235 HN1 ASP B 6 -15.732 -16.252 -2.451 1.00 0.00 H ATOM 1236 N SER B 7 -16.966 -16.569 -6.775 1.00 55.87 N ATOM 1237 CA SER B 7 -16.799 -16.906 -8.203 1.00 54.63 C ATOM 1238 C SER B 7 -15.500 -16.430 -8.855 1.00 53.37 C ATOM 1239 O SER B 7 -15.051 -17.043 -9.824 1.00 53.66 O ATOM 1240 CB SER B 7 -17.989 -16.383 -9.006 1.00 59.08 C ATOM 1241 OG SER B 7 -17.803 -16.521 -10.408 1.00 66.79 O ATOM 1242 HG SER B 7 -17.000 -16.012 -10.685 1.00 0.00 H ATOM 1243 H SER B 7 -17.867 -16.126 -6.505 1.00 0.00 H ATOM 1244 N GLN B 8 -14.923 -15.330 -8.349 1.00 45.49 N ATOM 1245 CA GLN B 8 -13.726 -14.681 -8.884 1.00 42.13 C ATOM 1246 C GLN B 8 -12.455 -15.531 -8.855 1.00 42.60 C ATOM 1247 O GLN B 8 -12.280 -16.372 -7.969 1.00 42.38 O ATOM 1248 CB GLN B 8 -13.487 -13.341 -8.179 1.00 41.53 C ATOM 1249 CG GLN B 8 -14.644 -12.373 -8.382 1.00 38.65 C ATOM 1250 CD GLN B 8 -14.489 -11.085 -7.633 1.00 52.93 C ATOM 1251 OE1 GLN B 8 -13.461 -10.404 -7.706 1.00 52.11 O ATOM 1252 NE2 GLN B 8 -15.538 -10.695 -6.947 1.00 44.49 N ATOM 1253 HE22 GLN B 8 -16.386 -11.295 -6.908 1.00 0.00 H ATOM 1254 HE21 GLN B 8 -15.521 -9.786 -6.442 1.00 0.00 H ATOM 1255 H GLN B 8 -15.362 -14.904 -7.508 1.00 0.00 H ATOM 1256 N ILE B 9 -11.579 -15.303 -9.852 1.00 34.64 N ATOM 1257 CA ILE B 9 -10.308 -16.002 -10.022 1.00 32.55 C ATOM 1258 C ILE B 9 -9.315 -15.476 -8.996 1.00 35.36 C ATOM 1259 O ILE B 9 -9.051 -14.264 -8.934 1.00 33.33 O ATOM 1260 CB ILE B 9 -9.776 -15.880 -11.492 1.00 34.13 C ATOM 1261 CG1 ILE B 9 -10.873 -16.223 -12.521 1.00 35.12 C ATOM 1262 CG2 ILE B 9 -8.512 -16.721 -11.699 1.00 34.94 C ATOM 1263 CD1 ILE B 9 -10.555 -15.876 -14.046 1.00 41.31 C ATOM 1264 H ILE B 9 -11.826 -14.575 -10.553 1.00 0.00 H ATOM 1265 N GLN B 10 -8.730 -16.395 -8.221 1.00 32.63 N ATOM 1266 CA GLN B 10 -7.734 -16.057 -7.201 1.00 31.26 C ATOM 1267 C GLN B 10 -6.293 -16.070 -7.727 1.00 32.60 C ATOM 1268 O GLN B 10 -5.837 -17.054 -8.316 1.00 32.41 O ATOM 1269 CB GLN B 10 -7.879 -17.025 -6.017 1.00 33.80 C ATOM 1270 CG GLN B 10 -7.020 -16.707 -4.793 1.00 45.30 C ATOM 1271 CD GLN B 10 -7.402 -17.605 -3.643 1.00 68.47 C ATOM 1272 OE1 GLN B 10 -8.522 -17.547 -3.122 1.00 67.23 O ATOM 1273 NE2 GLN B 10 -6.489 -18.474 -3.236 1.00 58.08 N ATOM 1274 HE22 GLN B 10 -5.555 -18.500 -3.693 1.00 0.00 H ATOM 1275 HE21 GLN B 10 -6.706 -19.131 -2.459 1.00 0.00 H ATOM 1276 H GLN B 10 -8.993 -17.393 -8.348 1.00 0.00 H ATOM 1277 N PHE B 11 -5.583 -14.964 -7.497 1.00 27.69 N ATOM 1278 CA PHE B 11 -4.168 -14.794 -7.807 1.00 26.88 C ATOM 1279 C PHE B 11 -3.436 -14.896 -6.473 1.00 32.28 C ATOM 1280 O PHE B 11 -3.398 -13.935 -5.700 1.00 30.27 O ATOM 1281 CB PHE B 11 -3.921 -13.450 -8.486 1.00 26.31 C ATOM 1282 CG PHE B 11 -4.324 -13.403 -9.939 1.00 27.42 C ATOM 1283 CD1 PHE B 11 -5.659 -13.515 -10.314 1.00 30.51 C ATOM 1284 CD2 PHE B 11 -3.378 -13.203 -10.928 1.00 30.79 C ATOM 1285 CE1 PHE B 11 -6.031 -13.479 -11.664 1.00 32.55 C ATOM 1286 CE2 PHE B 11 -3.749 -13.142 -12.275 1.00 33.64 C ATOM 1287 CZ PHE B 11 -5.075 -13.271 -12.632 1.00 32.20 C ATOM 1288 H PHE B 11 -6.078 -14.159 -7.062 1.00 0.00 H ATOM 1289 N THR B 12 -2.890 -16.096 -6.194 1.00 29.74 N ATOM 1290 CA THR B 12 -2.222 -16.432 -4.934 1.00 29.52 C ATOM 1291 C THR B 12 -0.900 -15.679 -4.699 1.00 32.95 C ATOM 1292 O THR B 12 -0.429 -15.622 -3.565 1.00 32.67 O ATOM 1293 CB THR B 12 -2.034 -17.944 -4.832 1.00 36.75 C ATOM 1294 OG1 THR B 12 -1.231 -18.380 -5.927 1.00 42.38 O ATOM 1295 CG2 THR B 12 -3.363 -18.692 -4.831 1.00 39.36 C ATOM 1296 HG1 THR B 12 -1.103 -19.360 -5.871 1.00 0.00 H ATOM 1297 H THR B 12 -2.947 -16.835 -6.924 1.00 0.00 H ATOM 1298 N ARG B 13 -0.316 -15.108 -5.761 1.00 28.84 N ATOM 1299 CA ARG B 13 0.963 -14.386 -5.720 1.00 28.03 C ATOM 1300 C ARG B 13 0.773 -12.859 -5.736 1.00 29.38 C ATOM 1301 O ARG B 13 1.740 -12.116 -5.548 1.00 26.90 O ATOM 1302 CB ARG B 13 1.792 -14.781 -6.951 1.00 31.77 C ATOM 1303 CG ARG B 13 2.179 -16.267 -7.001 1.00 40.68 C ATOM 1304 CD ARG B 13 3.424 -16.521 -7.835 1.00 53.61 C ATOM 1305 NE ARG B 13 3.284 -16.082 -9.228 1.00 61.52 N ATOM 1306 CZ ARG B 13 4.159 -15.303 -9.861 1.00 79.98 C ATOM 1307 NH1 ARG B 13 5.247 -14.869 -9.235 1.00 67.85 N ATOM 1308 NH2 ARG B 13 3.954 -14.957 -11.124 1.00 69.62 N ATOM 1309 HE ARG B 13 2.446 -16.400 -9.756 1.00 0.00 H ATOM 1310 HH12 ARG B 13 5.927 -14.261 -9.735 1.00 0.00 H ATOM 1311 HH11 ARG B 13 5.419 -15.137 -8.245 1.00 0.00 H ATOM 1312 HH22 ARG B 13 4.640 -14.348 -11.614 1.00 0.00 H ATOM 1313 HH21 ARG B 13 3.107 -15.294 -11.625 1.00 0.00 H ATOM 1314 H ARG B 13 -0.802 -15.181 -6.678 1.00 0.00 H ATOM 1315 N HIS B 14 -0.440 -12.391 -6.042 1.00 26.00 N ATOM 1316 CA HIS B 14 -0.705 -10.959 -6.176 1.00 24.32 C ATOM 1317 C HIS B 14 -0.401 -10.126 -4.930 1.00 27.39 C ATOM 1318 O HIS B 14 0.221 -9.064 -5.061 1.00 26.62 O ATOM 1319 CB HIS B 14 -2.149 -10.721 -6.654 1.00 25.81 C ATOM 1320 CG HIS B 14 -2.472 -9.270 -6.815 1.00 28.01 C ATOM 1321 ND1 HIS B 14 -2.000 -8.547 -7.895 1.00 28.46 N ATOM 1322 CD2 HIS B 14 -3.146 -8.439 -5.986 1.00 28.61 C ATOM 1323 CE1 HIS B 14 -2.426 -7.306 -7.713 1.00 27.06 C ATOM 1324 NE2 HIS B 14 -3.126 -7.192 -6.582 1.00 27.64 N ATOM 1325 H HIS B 14 -1.219 -13.065 -6.189 1.00 0.00 H ATOM 1326 N ALA B 15 -0.871 -10.567 -3.744 1.00 22.75 N ATOM 1327 CA ALA B 15 -0.666 -9.826 -2.486 1.00 21.79 C ATOM 1328 C ALA B 15 0.815 -9.657 -2.146 1.00 25.41 C ATOM 1329 O ALA B 15 1.237 -8.549 -1.793 1.00 23.29 O ATOM 1330 CB ALA B 15 -1.406 -10.495 -1.340 1.00 23.63 C ATOM 1331 H ALA B 15 -1.398 -11.463 -3.717 1.00 0.00 H ATOM 1332 N SER B 16 1.617 -10.739 -2.314 1.00 23.56 N ATOM 1333 CA SER B 16 3.067 -10.657 -2.072 1.00 23.43 C ATOM 1334 C SER B 16 3.757 -9.789 -3.145 1.00 26.65 C ATOM 1335 O SER B 16 4.708 -9.079 -2.823 1.00 25.23 O ATOM 1336 CB SER B 16 3.678 -12.054 -2.037 1.00 29.53 C ATOM 1337 OG SER B 16 3.500 -12.674 -3.297 1.00 38.51 O ATOM 1338 HG SER B 16 2.533 -12.740 -3.498 1.00 0.00 H ATOM 1339 H SER B 16 1.200 -11.642 -2.619 1.00 0.00 H ATOM 1340 N ASP B 17 3.266 -9.812 -4.407 1.00 24.65 N ATOM 1341 CA ASP B 17 3.867 -8.999 -5.468 1.00 25.58 C ATOM 1342 C ASP B 17 3.635 -7.497 -5.192 1.00 26.92 C ATOM 1343 O ASP B 17 4.568 -6.721 -5.340 1.00 25.63 O ATOM 1344 CB ASP B 17 3.367 -9.409 -6.861 1.00 28.47 C ATOM 1345 CG ASP B 17 3.904 -10.740 -7.371 1.00 39.09 C ATOM 1346 OD1 ASP B 17 5.055 -11.086 -7.042 1.00 40.51 O ATOM 1347 OD2 ASP B 17 3.193 -11.405 -8.138 1.00 49.63 O ATOM 1348 H ASP B 17 2.449 -10.417 -4.627 1.00 0.00 H ATOM 1349 N VAL B 18 2.420 -7.120 -4.733 1.00 23.52 N ATOM 1350 CA VAL B 18 2.063 -5.742 -4.336 1.00 22.43 C ATOM 1351 C VAL B 18 3.004 -5.277 -3.223 1.00 26.99 C ATOM 1352 O VAL B 18 3.584 -4.199 -3.332 1.00 25.61 O ATOM 1353 CB VAL B 18 0.586 -5.611 -3.896 1.00 25.40 C ATOM 1354 CG1 VAL B 18 0.329 -4.272 -3.191 1.00 23.51 C ATOM 1355 CG2 VAL B 18 -0.361 -5.797 -5.079 1.00 25.39 C ATOM 1356 H VAL B 18 1.685 -7.852 -4.654 1.00 0.00 H ATOM 1357 N LEU B 19 3.155 -6.101 -2.157 1.00 24.73 N ATOM 1358 CA LEU B 19 4.014 -5.794 -1.013 1.00 24.28 C ATOM 1359 C LEU B 19 5.460 -5.579 -1.462 1.00 25.89 C ATOM 1360 O LEU B 19 6.089 -4.601 -1.037 1.00 23.70 O ATOM 1361 CB LEU B 19 3.961 -6.911 0.046 1.00 24.65 C ATOM 1362 CG LEU B 19 4.267 -6.431 1.475 1.00 29.81 C ATOM 1363 CD1 LEU B 19 3.231 -5.441 1.937 1.00 28.59 C ATOM 1364 CD2 LEU B 19 4.336 -7.597 2.437 1.00 29.78 C ATOM 1365 H LEU B 19 2.632 -7.000 -2.152 1.00 0.00 H ATOM 1366 N LEU B 20 5.954 -6.447 -2.361 1.00 21.76 N ATOM 1367 CA LEU B 20 7.313 -6.336 -2.902 1.00 22.17 C ATOM 1368 C LEU B 20 7.497 -4.953 -3.554 1.00 24.48 C ATOM 1369 O LEU B 20 8.496 -4.285 -3.297 1.00 24.56 O ATOM 1370 CB LEU B 20 7.602 -7.471 -3.909 1.00 23.76 C ATOM 1371 CG LEU B 20 9.070 -7.691 -4.350 1.00 31.55 C ATOM 1372 CD1 LEU B 20 9.923 -8.308 -3.222 1.00 34.47 C ATOM 1373 CD2 LEU B 20 9.128 -8.643 -5.517 1.00 35.81 C ATOM 1374 H LEU B 20 5.349 -7.228 -2.686 1.00 0.00 H ATOM 1375 N ASN B 21 6.515 -4.509 -4.327 1.00 20.13 N ATOM 1376 CA ASN B 21 6.547 -3.208 -5.010 1.00 19.60 C ATOM 1377 C ASN B 21 6.372 -2.050 -4.049 1.00 22.66 C ATOM 1378 O ASN B 21 6.976 -0.999 -4.266 1.00 20.87 O ATOM 1379 CB ASN B 21 5.529 -3.137 -6.140 1.00 23.08 C ATOM 1380 CG ASN B 21 6.040 -3.848 -7.381 1.00 30.28 C ATOM 1381 OD1 ASN B 21 7.247 -4.077 -7.548 1.00 25.28 O ATOM 1382 ND2 ASN B 21 5.134 -4.279 -8.233 1.00 23.51 N ATOM 1383 HD22 ASN B 21 4.128 -4.073 -8.070 1.00 0.00 H ATOM 1384 HD21 ASN B 21 5.425 -4.825 -9.069 1.00 0.00 H ATOM 1385 H ASN B 21 5.678 -5.113 -4.457 1.00 0.00 H ATOM 1386 N LEU B 22 5.602 -2.253 -2.965 1.00 18.31 N ATOM 1387 CA LEU B 22 5.485 -1.240 -1.909 1.00 17.55 C ATOM 1388 C LEU B 22 6.840 -1.084 -1.212 1.00 17.20 C ATOM 1389 O LEU B 22 7.222 0.032 -0.886 1.00 17.84 O ATOM 1390 CB LEU B 22 4.414 -1.610 -0.886 1.00 17.23 C ATOM 1391 CG LEU B 22 2.964 -1.516 -1.428 1.00 20.26 C ATOM 1392 CD1 LEU B 22 1.988 -1.988 -0.376 1.00 19.73 C ATOM 1393 CD2 LEU B 22 2.651 -0.099 -1.894 1.00 23.57 C ATOM 1394 H LEU B 22 5.078 -3.147 -2.873 1.00 0.00 H ATOM 1395 N ASN B 23 7.540 -2.188 -0.972 1.00 16.16 N ATOM 1396 CA ASN B 23 8.906 -2.128 -0.407 1.00 16.40 C ATOM 1397 C ASN B 23 9.893 -1.423 -1.308 1.00 21.37 C ATOM 1398 O ASN B 23 10.839 -0.788 -0.803 1.00 22.31 O ATOM 1399 CB ASN B 23 9.437 -3.507 -0.006 1.00 23.39 C ATOM 1400 CG ASN B 23 10.516 -3.411 1.060 1.00 35.65 C ATOM 1401 OD1 ASN B 23 10.580 -2.446 1.840 1.00 26.10 O ATOM 1402 ND2 ASN B 23 11.413 -4.369 1.087 1.00 30.00 N ATOM 1403 HD22 ASN B 23 11.341 -5.168 0.425 1.00 0.00 H ATOM 1404 HD21 ASN B 23 12.196 -4.329 1.770 1.00 0.00 H ATOM 1405 H ASN B 23 7.118 -3.114 -1.186 1.00 0.00 H ATOM 1406 N ARG B 24 9.765 -1.625 -2.641 1.00 19.58 N ATOM 1407 CA ARG B 24 10.657 -0.964 -3.596 1.00 19.07 C ATOM 1408 C ARG B 24 10.402 0.547 -3.523 1.00 22.57 C ATOM 1409 O ARG B 24 11.359 1.305 -3.591 1.00 23.48 O ATOM 1410 CB ARG B 24 10.435 -1.464 -5.037 1.00 19.74 C ATOM 1411 CG ARG B 24 10.785 -2.943 -5.317 1.00 29.35 C ATOM 1412 CD ARG B 24 10.392 -3.330 -6.754 1.00 29.77 C ATOM 1413 NE ARG B 24 11.187 -4.445 -7.286 1.00 37.97 N ATOM 1414 CZ ARG B 24 10.731 -5.383 -8.119 1.00 50.76 C ATOM 1415 NH1 ARG B 24 11.544 -6.334 -8.567 1.00 35.42 N ATOM 1416 NH2 ARG B 24 9.460 -5.380 -8.506 1.00 32.89 N ATOM 1417 HE ARG B 24 12.182 -4.508 -6.991 1.00 0.00 H ATOM 1418 HH12 ARG B 24 11.184 -7.063 -9.216 1.00 0.00 H ATOM 1419 HH11 ARG B 24 12.540 -6.350 -8.269 1.00 0.00 H ATOM 1420 HH22 ARG B 24 9.112 -6.114 -9.155 1.00 0.00 H ATOM 1421 HH21 ARG B 24 8.813 -4.643 -8.160 1.00 0.00 H ATOM 1422 H ARG B 24 9.020 -2.260 -2.992 1.00 0.00 H ATOM 1423 N LEU B 25 9.098 0.987 -3.446 1.00 19.36 N ATOM 1424 CA LEU B 25 8.749 2.418 -3.364 1.00 20.15 C ATOM 1425 C LEU B 25 9.417 3.056 -2.175 1.00 24.10 C ATOM 1426 O LEU B 25 10.045 4.117 -2.306 1.00 23.08 O ATOM 1427 CB LEU B 25 7.215 2.647 -3.304 1.00 19.27 C ATOM 1428 CG LEU B 25 6.453 2.397 -4.575 1.00 22.66 C ATOM 1429 CD1 LEU B 25 4.957 2.360 -4.301 1.00 22.25 C ATOM 1430 CD2 LEU B 25 6.759 3.464 -5.629 1.00 26.38 C ATOM 1431 H LEU B 25 8.332 0.284 -3.446 1.00 0.00 H ATOM 1432 N ARG B 26 9.357 2.347 -1.016 1.00 22.42 N ATOM 1433 CA ARG B 26 9.997 2.788 0.204 1.00 22.03 C ATOM 1434 C ARG B 26 11.526 2.882 0.031 1.00 24.63 C ATOM 1435 O ARG B 26 12.102 3.911 0.382 1.00 24.00 O ATOM 1436 CB ARG B 26 9.596 1.886 1.391 1.00 21.46 C ATOM 1437 CG ARG B 26 10.261 2.322 2.700 1.00 33.81 C ATOM 1438 CD ARG B 26 9.863 1.462 3.878 1.00 36.19 C ATOM 1439 NE ARG B 26 10.349 0.078 3.804 1.00 33.56 N ATOM 1440 CZ ARG B 26 11.220 -0.460 4.645 1.00 41.47 C ATOM 1441 NH1 ARG B 26 11.816 0.289 5.564 1.00 26.52 N ATOM 1442 NH2 ARG B 26 11.545 -1.742 4.541 1.00 30.56 N ATOM 1443 HE ARG B 26 9.984 -0.522 3.037 1.00 0.00 H ATOM 1444 HH12 ARG B 26 12.499 -0.139 6.221 1.00 0.00 H ATOM 1445 HH11 ARG B 26 11.600 1.304 5.627 1.00 0.00 H ATOM 1446 HH22 ARG B 26 12.229 -2.160 5.203 1.00 0.00 H ATOM 1447 HH21 ARG B 26 11.116 -2.329 3.797 1.00 0.00 H ATOM 1448 H ARG B 26 8.829 1.451 -1.006 1.00 0.00 H ATOM 1449 N SER B 27 12.164 1.864 -0.618 1.00 21.07 N ATOM 1450 CA SER B 27 13.607 1.883 -0.841 1.00 21.92 C ATOM 1451 C SER B 27 13.988 2.967 -1.841 1.00 25.68 C ATOM 1452 O SER B 27 15.102 3.480 -1.800 1.00 25.09 O ATOM 1453 CB SER B 27 14.120 0.503 -1.238 1.00 26.35 C ATOM 1454 OG SER B 27 13.991 0.244 -2.626 1.00 44.60 O ATOM 1455 HG SER B 27 13.036 0.297 -2.883 1.00 0.00 H ATOM 1456 H SER B 27 11.608 1.055 -0.962 1.00 0.00 H ATOM 1457 N ARG B 28 13.028 3.384 -2.678 1.00 24.17 N ATOM 1458 CA ARG B 28 13.285 4.434 -3.664 1.00 24.91 C ATOM 1459 C ARG B 28 12.782 5.794 -3.218 1.00 26.28 C ATOM 1460 O ARG B 28 12.902 6.770 -3.966 1.00 26.02 O ATOM 1461 CB ARG B 28 12.733 4.027 -5.037 1.00 26.40 C ATOM 1462 CG ARG B 28 13.554 2.917 -5.691 1.00 29.39 C ATOM 1463 CD ARG B 28 13.033 2.528 -7.056 1.00 36.48 C ATOM 1464 NE ARG B 28 13.138 3.621 -8.025 1.00 43.62 N ATOM 1465 CZ ARG B 28 12.550 3.636 -9.218 1.00 50.82 C ATOM 1466 NH1 ARG B 28 11.804 2.609 -9.613 1.00 34.62 N ATOM 1467 NH2 ARG B 28 12.686 4.682 -10.015 1.00 39.49 N ATOM 1468 HE ARG B 28 13.714 4.446 -7.761 1.00 0.00 H ATOM 1469 HH12 ARG B 28 11.347 2.627 -10.547 1.00 0.00 H ATOM 1470 HH11 ARG B 28 11.677 1.787 -8.988 1.00 0.00 H ATOM 1471 HH22 ARG B 28 12.224 4.689 -10.947 1.00 0.00 H ATOM 1472 HH21 ARG B 28 13.255 5.498 -9.710 1.00 0.00 H ATOM 1473 H ARG B 28 12.083 2.953 -2.626 1.00 0.00 H ATOM 1474 N ASP B 29 12.281 5.882 -1.969 1.00 22.73 N ATOM 1475 CA ASP B 29 11.693 7.096 -1.373 1.00 23.11 C ATOM 1476 C ASP B 29 10.603 7.717 -2.281 1.00 28.79 C ATOM 1477 O ASP B 29 10.508 8.939 -2.428 1.00 29.84 O ATOM 1478 CB ASP B 29 12.772 8.129 -0.937 1.00 26.26 C ATOM 1479 CG ASP B 29 12.247 9.098 0.120 1.00 34.48 C ATOM 1480 OD1 ASP B 29 11.462 8.664 0.985 1.00 35.31 O ATOM 1481 OD2 ASP B 29 12.591 10.295 0.054 1.00 38.32 O ATOM 1482 H ASP B 29 12.312 5.026 -1.379 1.00 0.00 H ATOM 1483 N ILE B 30 9.782 6.842 -2.902 1.00 22.97 N ATOM 1484 CA ILE B 30 8.722 7.261 -3.788 1.00 20.65 C ATOM 1485 C ILE B 30 7.378 7.177 -3.111 1.00 21.94 C ATOM 1486 O ILE B 30 6.944 6.098 -2.691 1.00 22.89 O ATOM 1487 CB ILE B 30 8.718 6.548 -5.166 1.00 23.09 C ATOM 1488 CG1 ILE B 30 9.982 6.810 -5.974 1.00 23.99 C ATOM 1489 CG2 ILE B 30 7.470 6.970 -5.971 1.00 22.13 C ATOM 1490 CD1 ILE B 30 10.205 5.819 -7.131 1.00 30.70 C ATOM 1491 H ILE B 30 9.919 5.825 -2.735 1.00 0.00 H ATOM 1492 N LEU B 31 6.707 8.345 -3.048 1.00 18.94 N ATOM 1493 CA LEU B 31 5.389 8.580 -2.485 1.00 20.17 C ATOM 1494 C LEU B 31 5.335 8.282 -0.976 1.00 22.82 C ATOM 1495 O LEU B 31 4.250 8.128 -0.420 1.00 21.45 O ATOM 1496 CB LEU B 31 4.287 7.854 -3.280 1.00 20.91 C ATOM 1497 CG LEU B 31 4.031 8.434 -4.708 1.00 28.12 C ATOM 1498 CD1 LEU B 31 3.235 7.467 -5.541 1.00 28.90 C ATOM 1499 CD2 LEU B 31 3.315 9.808 -4.666 1.00 29.60 C ATOM 1500 H LEU B 31 7.190 9.174 -3.449 1.00 0.00 H ATOM 1501 N THR B 32 6.510 8.280 -0.296 1.00 18.54 N ATOM 1502 CA THR B 32 6.544 8.169 1.179 1.00 17.55 C ATOM 1503 C THR B 32 5.984 9.508 1.688 1.00 22.94 C ATOM 1504 O THR B 32 6.205 10.547 1.061 1.00 22.62 O ATOM 1505 CB THR B 32 7.991 7.968 1.689 1.00 19.01 C ATOM 1506 OG1 THR B 32 8.815 8.924 1.034 1.00 24.95 O ATOM 1507 CG2 THR B 32 8.506 6.553 1.403 1.00 16.08 C ATOM 1508 HG1 THR B 32 9.750 8.818 1.342 1.00 0.00 H ATOM 1509 H THR B 32 7.404 8.358 -0.822 1.00 0.00 H ATOM 1510 N ASP B 33 5.231 9.489 2.788 1.00 21.57 N ATOM 1511 CA ASP B 33 4.517 10.666 3.279 1.00 21.42 C ATOM 1512 C ASP B 33 4.645 10.892 4.756 1.00 24.68 C ATOM 1513 O ASP B 33 3.978 11.754 5.325 1.00 23.78 O ATOM 1514 CB ASP B 33 3.026 10.589 2.867 1.00 23.57 C ATOM 1515 CG ASP B 33 2.272 9.355 3.331 1.00 29.17 C ATOM 1516 OD1 ASP B 33 2.910 8.444 3.898 1.00 28.53 O ATOM 1517 OD2 ASP B 33 1.047 9.287 3.095 1.00 30.90 O ATOM 1518 H ASP B 33 5.148 8.599 3.319 1.00 0.00 H ATOM 1519 N VAL B 34 5.548 10.170 5.377 1.00 20.95 N ATOM 1520 CA VAL B 34 5.743 10.293 6.810 1.00 20.69 C ATOM 1521 C VAL B 34 7.178 9.902 7.137 1.00 24.06 C ATOM 1522 O VAL B 34 7.752 8.996 6.508 1.00 23.78 O ATOM 1523 CB VAL B 34 4.700 9.459 7.614 1.00 23.26 C ATOM 1524 CG1 VAL B 34 4.876 7.962 7.413 1.00 23.08 C ATOM 1525 CG2 VAL B 34 4.679 9.828 9.098 1.00 23.32 C ATOM 1526 H VAL B 34 6.131 9.501 4.835 1.00 0.00 H ATOM 1527 N VAL B 35 7.715 10.580 8.142 1.00 20.75 N ATOM 1528 CA VAL B 35 8.997 10.261 8.749 1.00 19.90 C ATOM 1529 C VAL B 35 8.707 9.842 10.201 1.00 23.96 C ATOM 1530 O VAL B 35 8.064 10.596 10.954 1.00 23.15 O ATOM 1531 CB VAL B 35 10.077 11.366 8.592 1.00 25.52 C ATOM 1532 CG1 VAL B 35 9.654 12.702 9.181 1.00 26.24 C ATOM 1533 CG2 VAL B 35 11.432 10.928 9.147 1.00 26.00 C ATOM 1534 H VAL B 35 7.186 11.391 8.520 1.00 0.00 H ATOM 1535 N ILE B 36 9.181 8.642 10.587 1.00 20.44 N ATOM 1536 CA ILE B 36 9.045 8.135 11.945 1.00 20.42 C ATOM 1537 C ILE B 36 10.393 8.364 12.616 1.00 26.16 C ATOM 1538 O ILE B 36 11.413 7.843 12.157 1.00 25.85 O ATOM 1539 CB ILE B 36 8.620 6.629 11.987 1.00 22.92 C ATOM 1540 CG1 ILE B 36 7.335 6.320 11.142 1.00 22.22 C ATOM 1541 CG2 ILE B 36 8.465 6.138 13.438 1.00 23.20 C ATOM 1542 CD1 ILE B 36 6.084 7.176 11.398 1.00 31.52 C ATOM 1543 H ILE B 36 9.666 8.050 9.883 1.00 0.00 H ATOM 1544 N VAL B 37 10.401 9.173 13.675 1.00 23.44 N ATOM 1545 CA VAL B 37 11.618 9.520 14.409 1.00 23.77 C ATOM 1546 C VAL B 37 11.667 8.614 15.632 1.00 28.31 C ATOM 1547 O VAL B 37 10.761 8.659 16.471 1.00 26.20 O ATOM 1548 CB VAL B 37 11.710 11.024 14.795 1.00 28.17 C ATOM 1549 CG1 VAL B 37 13.007 11.312 15.575 1.00 29.94 C ATOM 1550 CG2 VAL B 37 11.624 11.923 13.569 1.00 27.76 C ATOM 1551 H VAL B 37 9.498 9.577 13.995 1.00 0.00 H ATOM 1552 N VAL B 38 12.750 7.825 15.745 1.00 26.28 N ATOM 1553 CA VAL B 38 12.973 6.887 16.848 1.00 26.50 C ATOM 1554 C VAL B 38 14.355 7.239 17.395 1.00 31.04 C ATOM 1555 O VAL B 38 15.355 6.808 16.831 1.00 28.86 O ATOM 1556 CB VAL B 38 12.886 5.395 16.388 1.00 31.42 C ATOM 1557 CG1 VAL B 38 12.984 4.445 17.572 1.00 32.52 C ATOM 1558 CG2 VAL B 38 11.614 5.113 15.588 1.00 30.80 C ATOM 1559 H VAL B 38 13.475 7.884 15.002 1.00 0.00 H ATOM 1560 N SER B 39 14.385 8.074 18.457 1.00 29.60 N ATOM 1561 CA SER B 39 15.580 8.598 19.110 1.00 32.23 C ATOM 1562 C SER B 39 16.462 9.344 18.089 1.00 35.18 C ATOM 1563 O SER B 39 15.949 10.249 17.441 1.00 32.39 O ATOM 1564 CB SER B 39 16.315 7.511 19.888 1.00 40.02 C ATOM 1565 OG SER B 39 15.580 7.220 21.066 1.00 54.91 O ATOM 1566 HG SER B 39 16.048 6.515 21.580 1.00 0.00 H ATOM 1567 H SER B 39 13.468 8.372 18.846 1.00 0.00 H ATOM 1568 N ARG B 40 17.728 8.912 17.881 1.00 33.32 N ATOM 1569 CA ARG B 40 18.668 9.549 16.959 1.00 33.72 C ATOM 1570 C ARG B 40 18.563 9.046 15.497 1.00 36.45 C ATOM 1571 O ARG B 40 19.420 9.381 14.674 1.00 38.01 O ATOM 1572 CB ARG B 40 20.100 9.424 17.507 1.00 36.01 C ATOM 1573 CG ARG B 40 20.292 10.163 18.825 1.00 47.28 C ATOM 1574 CD ARG B 40 21.322 9.486 19.706 1.00 66.24 C ATOM 1575 NE ARG B 40 20.757 8.338 20.422 1.00 79.45 N ATOM 1576 CZ ARG B 40 20.154 8.405 21.606 1.00 96.52 C ATOM 1577 NH1 ARG B 40 20.019 9.571 22.227 1.00 85.57 N ATOM 1578 NH2 ARG B 40 19.677 7.307 22.177 1.00 84.42 N ATOM 1579 HE ARG B 40 20.833 7.404 19.972 1.00 0.00 H ATOM 1580 HH12 ARG B 40 19.546 9.616 23.152 1.00 0.00 H ATOM 1581 HH11 ARG B 40 20.386 10.440 21.788 1.00 0.00 H ATOM 1582 HH22 ARG B 40 19.206 7.365 23.103 1.00 0.00 H ATOM 1583 HH21 ARG B 40 19.774 6.388 21.699 1.00 0.00 H ATOM 1584 H ARG B 40 18.052 8.076 18.409 1.00 0.00 H ATOM 1585 N GLU B 41 17.500 8.287 15.166 1.00 29.74 N ATOM 1586 CA GLU B 41 17.269 7.741 13.816 1.00 29.27 C ATOM 1587 C GLU B 41 15.901 8.149 13.233 1.00 32.10 C ATOM 1588 O GLU B 41 14.979 8.454 13.987 1.00 31.98 O ATOM 1589 CB GLU B 41 17.383 6.212 13.826 1.00 30.50 C ATOM 1590 CG GLU B 41 18.757 5.698 14.251 1.00 35.91 C ATOM 1591 CD GLU B 41 19.038 4.282 13.794 1.00 55.11 C ATOM 1592 OE1 GLU B 41 18.764 3.977 12.612 1.00 60.89 O ATOM 1593 OE2 GLU B 41 19.510 3.468 14.617 1.00 46.86 O ATOM 1594 H GLU B 41 16.801 8.074 15.906 1.00 0.00 H ATOM 1595 N GLN B 42 15.798 8.171 11.889 1.00 27.17 N ATOM 1596 CA GLN B 42 14.583 8.531 11.163 1.00 27.11 C ATOM 1597 C GLN B 42 14.287 7.421 10.157 1.00 30.36 C ATOM 1598 O GLN B 42 15.213 6.762 9.699 1.00 29.87 O ATOM 1599 CB GLN B 42 14.808 9.860 10.415 1.00 29.06 C ATOM 1600 CG GLN B 42 14.721 11.101 11.305 1.00 40.14 C ATOM 1601 CD GLN B 42 15.031 12.368 10.543 1.00 54.27 C ATOM 1602 OE1 GLN B 42 14.458 12.640 9.487 1.00 44.84 O ATOM 1603 NE2 GLN B 42 15.960 13.171 11.058 1.00 54.41 N ATOM 1604 HE22 GLN B 42 16.429 12.918 11.951 1.00 0.00 H ATOM 1605 HE21 GLN B 42 16.217 14.051 10.567 1.00 0.00 H ATOM 1606 H GLN B 42 16.639 7.915 11.333 1.00 0.00 H ATOM 1607 N PHE B 43 13.007 7.184 9.844 1.00 26.15 N ATOM 1608 CA PHE B 43 12.609 6.150 8.895 1.00 27.27 C ATOM 1609 C PHE B 43 11.480 6.701 8.057 1.00 26.37 C ATOM 1610 O PHE B 43 10.487 7.159 8.621 1.00 26.73 O ATOM 1611 CB PHE B 43 12.154 4.856 9.632 1.00 29.30 C ATOM 1612 CG PHE B 43 13.203 4.247 10.536 1.00 32.04 C ATOM 1613 CD1 PHE B 43 14.113 3.319 10.045 1.00 35.87 C ATOM 1614 CD2 PHE B 43 13.259 4.580 11.885 1.00 35.17 C ATOM 1615 CE1 PHE B 43 15.086 2.764 10.882 1.00 38.67 C ATOM 1616 CE2 PHE B 43 14.225 4.019 12.720 1.00 39.63 C ATOM 1617 CZ PHE B 43 15.136 3.122 12.215 1.00 38.45 C ATOM 1618 H PHE B 43 12.268 7.760 10.295 1.00 0.00 H ATOM 1619 N ARG B 44 11.644 6.738 6.724 1.00 20.92 N ATOM 1620 CA ARG B 44 10.540 7.216 5.873 1.00 19.31 C ATOM 1621 C ARG B 44 9.633 6.016 5.531 1.00 22.26 C ATOM 1622 O ARG B 44 10.125 4.899 5.354 1.00 23.59 O ATOM 1623 CB ARG B 44 11.084 7.909 4.618 1.00 22.18 C ATOM 1624 CG ARG B 44 11.782 9.244 4.957 1.00 30.28 C ATOM 1625 CD ARG B 44 11.903 10.185 3.769 1.00 29.07 C ATOM 1626 NE ARG B 44 10.591 10.440 3.173 1.00 25.39 N ATOM 1627 CZ ARG B 44 9.712 11.326 3.621 1.00 41.27 C ATOM 1628 NH1 ARG B 44 10.013 12.113 4.647 1.00 34.76 N ATOM 1629 NH2 ARG B 44 8.536 11.451 3.033 1.00 30.53 N ATOM 1630 HE ARG B 44 10.328 9.884 2.334 1.00 0.00 H ATOM 1631 HH12 ARG B 44 9.318 12.805 4.993 1.00 0.00 H ATOM 1632 HH11 ARG B 44 10.944 12.037 5.105 1.00 0.00 H ATOM 1633 HH22 ARG B 44 7.849 12.147 3.387 1.00 0.00 H ATOM 1634 HH21 ARG B 44 8.297 10.854 2.216 1.00 0.00 H ATOM 1635 H ARG B 44 12.542 6.432 6.297 1.00 0.00 H ATOM 1636 N ALA B 45 8.319 6.237 5.405 1.00 19.37 N ATOM 1637 CA ALA B 45 7.394 5.144 5.140 1.00 19.95 C ATOM 1638 C ALA B 45 6.151 5.714 4.519 1.00 23.01 C ATOM 1639 O ALA B 45 6.040 6.942 4.353 1.00 20.30 O ATOM 1640 CB ALA B 45 7.033 4.438 6.462 1.00 21.19 C ATOM 1641 H ALA B 45 7.952 7.206 5.498 1.00 0.00 H ATOM 1642 N HIS B 46 5.214 4.819 4.183 1.00 21.60 N ATOM 1643 CA HIS B 46 3.910 5.163 3.632 1.00 20.98 C ATOM 1644 C HIS B 46 2.907 4.982 4.755 1.00 23.30 C ATOM 1645 O HIS B 46 2.875 3.915 5.352 1.00 21.34 O ATOM 1646 CB HIS B 46 3.546 4.236 2.455 1.00 21.31 C ATOM 1647 CG HIS B 46 4.547 4.260 1.332 1.00 24.89 C ATOM 1648 ND1 HIS B 46 5.515 3.279 1.202 1.00 26.40 N ATOM 1649 CD2 HIS B 46 4.693 5.156 0.327 1.00 26.44 C ATOM 1650 CE1 HIS B 46 6.206 3.599 0.117 1.00 26.28 C ATOM 1651 NE2 HIS B 46 5.762 4.739 -0.427 1.00 26.44 N ATOM 1652 H HIS B 46 5.431 3.812 4.325 1.00 0.00 H ATOM 1653 N LYS B 47 2.100 6.026 5.063 1.00 20.93 N ATOM 1654 CA LYS B 47 1.122 5.929 6.145 1.00 20.40 C ATOM 1655 C LYS B 47 0.143 4.773 5.934 1.00 22.42 C ATOM 1656 O LYS B 47 -0.247 4.128 6.900 1.00 22.03 O ATOM 1657 CB LYS B 47 0.329 7.240 6.300 1.00 22.87 C ATOM 1658 CG LYS B 47 1.167 8.461 6.681 1.00 25.34 C ATOM 1659 CD LYS B 47 0.221 9.678 6.739 1.00 26.06 C ATOM 1660 CE LYS B 47 0.959 10.938 6.455 1.00 25.11 C ATOM 1661 NZ LYS B 47 0.069 12.135 6.561 1.00 28.88 N ATOM 1662 HZ1 LYS B 47 -0.709 12.049 5.876 1.00 0.00 H ATOM 1663 HZ2 LYS B 47 -0.320 12.192 7.524 1.00 0.00 H ATOM 1664 HZ3 LYS B 47 0.619 12.994 6.356 1.00 0.00 H ATOM 1665 H LYS B 47 2.178 6.910 4.521 1.00 0.00 H ATOM 1666 N THR B 48 -0.237 4.497 4.683 1.00 18.71 N ATOM 1667 CA THR B 48 -1.222 3.431 4.385 1.00 18.27 C ATOM 1668 C THR B 48 -0.682 2.064 4.836 1.00 20.61 C ATOM 1669 O THR B 48 -1.448 1.274 5.373 1.00 21.82 O ATOM 1670 CB THR B 48 -1.604 3.414 2.886 1.00 24.69 C ATOM 1671 OG1 THR B 48 -0.404 3.353 2.119 1.00 24.95 O ATOM 1672 CG2 THR B 48 -2.424 4.618 2.477 1.00 25.39 C ATOM 1673 HG1 THR B 48 -0.630 3.341 1.155 1.00 0.00 H ATOM 1674 H THR B 48 0.169 5.045 3.898 1.00 0.00 H ATOM 1675 N VAL B 49 0.625 1.802 4.655 1.00 18.69 N ATOM 1676 CA VAL B 49 1.249 0.544 5.063 1.00 18.36 C ATOM 1677 C VAL B 49 1.314 0.491 6.591 1.00 23.52 C ATOM 1678 O VAL B 49 0.963 -0.530 7.205 1.00 21.85 O ATOM 1679 CB VAL B 49 2.632 0.318 4.400 1.00 21.62 C ATOM 1680 CG1 VAL B 49 3.324 -0.927 4.958 1.00 21.25 C ATOM 1681 CG2 VAL B 49 2.495 0.210 2.874 1.00 21.04 C ATOM 1682 H VAL B 49 1.219 2.527 4.204 1.00 0.00 H ATOM 1683 N LEU B 50 1.758 1.599 7.195 1.00 22.49 N ATOM 1684 CA LEU B 50 1.885 1.686 8.644 1.00 21.07 C ATOM 1685 C LEU B 50 0.560 1.390 9.305 1.00 23.80 C ATOM 1686 O LEU B 50 0.525 0.544 10.213 1.00 25.49 O ATOM 1687 CB LEU B 50 2.461 3.021 9.094 1.00 20.25 C ATOM 1688 CG LEU B 50 3.849 3.414 8.602 1.00 22.86 C ATOM 1689 CD1 LEU B 50 4.228 4.765 9.159 1.00 23.59 C ATOM 1690 CD2 LEU B 50 4.918 2.395 9.034 1.00 25.07 C ATOM 1691 H LEU B 50 2.020 2.421 6.614 1.00 0.00 H ATOM 1692 N MET B 51 -0.549 2.029 8.823 1.00 19.28 N ATOM 1693 CA MET B 51 -1.885 1.772 9.342 1.00 19.45 C ATOM 1694 C MET B 51 -2.244 0.309 9.194 1.00 22.25 C ATOM 1695 O MET B 51 -2.724 -0.307 10.146 1.00 23.98 O ATOM 1696 CB MET B 51 -2.955 2.600 8.604 1.00 20.93 C ATOM 1697 CG MET B 51 -2.864 4.068 8.816 1.00 23.65 C ATOM 1698 SD MET B 51 -4.251 4.877 7.975 1.00 29.14 S ATOM 1699 CE MET B 51 -5.480 4.621 9.124 1.00 27.61 C ATOM 1700 H MET B 51 -0.434 2.724 8.058 1.00 0.00 H ATOM 1701 N ALA B 52 -1.986 -0.261 8.008 1.00 21.58 N ATOM 1702 CA ALA B 52 -2.334 -1.651 7.661 1.00 21.51 C ATOM 1703 C ALA B 52 -1.678 -2.699 8.555 1.00 25.97 C ATOM 1704 O ALA B 52 -2.180 -3.821 8.646 1.00 28.12 O ATOM 1705 CB ALA B 52 -1.956 -1.925 6.200 1.00 21.15 C ATOM 1706 H ALA B 52 -1.509 0.315 7.285 1.00 0.00 H ATOM 1707 N CYS B 53 -0.535 -2.351 9.170 1.00 21.11 N ATOM 1708 CA CYS B 53 0.262 -3.258 9.995 1.00 21.19 C ATOM 1709 C CYS B 53 0.281 -2.953 11.457 1.00 27.19 C ATOM 1710 O CYS B 53 0.886 -3.725 12.193 1.00 27.28 O ATOM 1711 CB CYS B 53 1.687 -3.295 9.482 1.00 20.46 C ATOM 1712 SG CYS B 53 1.825 -3.722 7.745 1.00 23.86 S ATOM 1713 H CYS B 53 -0.196 -1.375 9.052 1.00 0.00 H ATOM 1714 N SER B 54 -0.236 -1.791 11.878 1.00 24.64 N ATOM 1715 CA SER B 54 -0.062 -1.407 13.272 1.00 24.17 C ATOM 1716 C SER B 54 -1.284 -0.748 13.842 1.00 25.46 C ATOM 1717 O SER B 54 -1.840 0.159 13.245 1.00 23.55 O ATOM 1718 CB SER B 54 1.195 -0.525 13.403 1.00 25.01 C ATOM 1719 OG SER B 54 1.252 0.341 14.525 1.00 24.74 O ATOM 1720 HG SER B 54 1.211 -0.195 15.356 1.00 0.00 H ATOM 1721 H SER B 54 -0.753 -1.173 11.220 1.00 0.00 H ATOM 1722 N GLY B 55 -1.710 -1.249 14.990 1.00 24.86 N ATOM 1723 CA GLY B 55 -2.813 -0.684 15.752 1.00 24.33 C ATOM 1724 C GLY B 55 -2.493 0.737 16.170 1.00 23.87 C ATOM 1725 O GLY B 55 -3.363 1.595 16.105 1.00 24.26 O ATOM 1726 H GLY B 55 -1.231 -2.091 15.368 1.00 0.00 H ATOM 1727 N LEU B 56 -1.217 1.016 16.545 1.00 20.26 N ATOM 1728 CA LEU B 56 -0.772 2.351 16.961 1.00 21.05 C ATOM 1729 C LEU B 56 -0.907 3.329 15.820 1.00 24.20 C ATOM 1730 O LEU B 56 -1.479 4.403 16.012 1.00 24.92 O ATOM 1731 CB LEU B 56 0.705 2.346 17.476 1.00 22.25 C ATOM 1732 CG LEU B 56 1.223 3.663 18.077 1.00 29.20 C ATOM 1733 CD1 LEU B 56 0.790 3.830 19.538 1.00 31.74 C ATOM 1734 CD2 LEU B 56 2.714 3.781 17.941 1.00 32.82 C ATOM 1735 H LEU B 56 -0.520 0.244 16.537 1.00 0.00 H ATOM 1736 N PHE B 57 -0.397 2.959 14.634 1.00 20.16 N ATOM 1737 CA PHE B 57 -0.462 3.857 13.466 1.00 18.92 C ATOM 1738 C PHE B 57 -1.853 3.947 12.896 1.00 23.16 C ATOM 1739 O PHE B 57 -2.227 5.012 12.420 1.00 24.63 O ATOM 1740 CB PHE B 57 0.542 3.461 12.396 1.00 18.75 C ATOM 1741 CG PHE B 57 1.984 3.689 12.798 1.00 19.18 C ATOM 1742 CD1 PHE B 57 2.430 4.954 13.172 1.00 22.34 C ATOM 1743 CD2 PHE B 57 2.894 2.647 12.780 1.00 19.43 C ATOM 1744 CE1 PHE B 57 3.759 5.153 13.579 1.00 22.03 C ATOM 1745 CE2 PHE B 57 4.235 2.856 13.128 1.00 22.37 C ATOM 1746 CZ PHE B 57 4.659 4.114 13.501 1.00 22.40 C ATOM 1747 H PHE B 57 0.051 2.025 14.538 1.00 0.00 H ATOM 1748 N TYR B 58 -2.622 2.835 12.939 1.00 19.16 N ATOM 1749 CA TYR B 58 -4.023 2.860 12.546 1.00 18.49 C ATOM 1750 C TYR B 58 -4.753 3.943 13.375 1.00 23.96 C ATOM 1751 O TYR B 58 -5.385 4.810 12.791 1.00 22.63 O ATOM 1752 CB TYR B 58 -4.704 1.496 12.773 1.00 20.65 C ATOM 1753 CG TYR B 58 -6.201 1.581 12.570 1.00 24.09 C ATOM 1754 CD1 TYR B 58 -6.745 1.686 11.291 1.00 25.78 C ATOM 1755 CD2 TYR B 58 -7.066 1.696 13.656 1.00 25.96 C ATOM 1756 CE1 TYR B 58 -8.119 1.833 11.101 1.00 25.97 C ATOM 1757 CE2 TYR B 58 -8.435 1.883 13.473 1.00 27.97 C ATOM 1758 CZ TYR B 58 -8.956 1.943 12.195 1.00 37.69 C ATOM 1759 OH TYR B 58 -10.308 2.098 12.013 1.00 43.86 O ATOM 1760 HH TYR B 58 -10.509 2.121 11.044 1.00 0.00 H ATOM 1761 H TYR B 58 -2.202 1.940 13.261 1.00 0.00 H ATOM 1762 N SER B 59 -4.659 3.886 14.725 1.00 23.97 N ATOM 1763 CA SER B 59 -5.334 4.831 15.639 1.00 25.43 C ATOM 1764 C SER B 59 -4.883 6.296 15.467 1.00 30.44 C ATOM 1765 O SER B 59 -5.676 7.202 15.707 1.00 30.63 O ATOM 1766 CB SER B 59 -5.194 4.376 17.089 1.00 27.77 C ATOM 1767 OG SER B 59 -5.768 3.090 17.251 1.00 34.99 O ATOM 1768 HG SER B 59 -5.303 2.446 16.660 1.00 0.00 H ATOM 1769 H SER B 59 -4.077 3.132 15.143 1.00 0.00 H ATOM 1770 N ILE B 60 -3.644 6.521 15.005 1.00 27.57 N ATOM 1771 CA ILE B 60 -3.109 7.859 14.738 1.00 26.98 C ATOM 1772 C ILE B 60 -3.738 8.401 13.469 1.00 29.56 C ATOM 1773 O ILE B 60 -4.546 9.335 13.536 1.00 29.46 O ATOM 1774 CB ILE B 60 -1.537 7.930 14.696 1.00 29.75 C ATOM 1775 CG1 ILE B 60 -0.908 7.574 16.062 1.00 31.35 C ATOM 1776 CG2 ILE B 60 -1.045 9.335 14.238 1.00 29.77 C ATOM 1777 CD1 ILE B 60 0.639 7.286 16.040 1.00 34.64 C ATOM 1778 H ILE B 60 -3.029 5.701 14.827 1.00 0.00 H ATOM 1779 N PHE B 61 -3.400 7.790 12.316 1.00 26.20 N ATOM 1780 CA PHE B 61 -3.804 8.280 11.007 1.00 25.22 C ATOM 1781 C PHE B 61 -5.304 8.194 10.693 1.00 27.88 C ATOM 1782 O PHE B 61 -5.741 8.992 9.880 1.00 29.29 O ATOM 1783 CB PHE B 61 -2.972 7.638 9.896 1.00 25.98 C ATOM 1784 CG PHE B 61 -1.498 7.918 10.069 1.00 27.19 C ATOM 1785 CD1 PHE B 61 -1.029 9.225 10.187 1.00 29.35 C ATOM 1786 CD2 PHE B 61 -0.581 6.878 10.139 1.00 28.53 C ATOM 1787 CE1 PHE B 61 0.332 9.479 10.399 1.00 29.75 C ATOM 1788 CE2 PHE B 61 0.784 7.137 10.328 1.00 30.09 C ATOM 1789 CZ PHE B 61 1.227 8.433 10.450 1.00 28.87 C ATOM 1790 H PHE B 61 -2.822 6.926 12.364 1.00 0.00 H ATOM 1791 N THR B 62 -6.100 7.286 11.306 1.00 22.71 N ATOM 1792 CA THR B 62 -7.543 7.272 10.988 1.00 23.38 C ATOM 1793 C THR B 62 -8.261 8.492 11.568 1.00 31.68 C ATOM 1794 O THR B 62 -9.375 8.817 11.134 1.00 33.34 O ATOM 1795 CB THR B 62 -8.244 5.979 11.426 1.00 30.03 C ATOM 1796 OG1 THR B 62 -9.568 6.024 10.885 1.00 37.49 O ATOM 1797 CG2 THR B 62 -8.354 5.850 12.975 1.00 26.21 C ATOM 1798 HG1 THR B 62 -10.041 6.818 11.239 1.00 0.00 H ATOM 1799 H THR B 62 -5.702 6.610 11.989 1.00 0.00 H ATOM 1800 N ASP B 63 -7.648 9.126 12.585 1.00 28.57 N ATOM 1801 CA ASP B 63 -8.197 10.318 13.236 1.00 28.65 C ATOM 1802 C ASP B 63 -7.890 11.540 12.353 1.00 31.88 C ATOM 1803 O ASP B 63 -6.727 11.856 12.115 1.00 28.37 O ATOM 1804 CB ASP B 63 -7.613 10.467 14.652 1.00 30.37 C ATOM 1805 CG ASP B 63 -8.043 11.707 15.427 1.00 38.11 C ATOM 1806 OD1 ASP B 63 -8.962 12.421 14.956 1.00 38.38 O ATOM 1807 OD2 ASP B 63 -7.518 11.920 16.543 1.00 41.73 O ATOM 1808 H ASP B 63 -6.740 8.751 12.925 1.00 0.00 H ATOM 1809 N GLN B 64 -8.955 12.237 11.889 1.00 31.80 N ATOM 1810 CA GLN B 64 -8.842 13.415 11.014 1.00 32.35 C ATOM 1811 C GLN B 64 -7.911 14.491 11.571 1.00 35.48 C ATOM 1812 O GLN B 64 -7.255 15.193 10.813 1.00 33.76 O ATOM 1813 CB GLN B 64 -10.228 14.001 10.695 1.00 35.25 C ATOM 1814 CG GLN B 64 -10.679 13.761 9.246 1.00 53.07 C ATOM 1815 CD GLN B 64 -9.844 14.499 8.217 1.00 64.07 C ATOM 1816 OE1 GLN B 64 -9.055 13.900 7.482 1.00 59.76 O ATOM 1817 NE2 GLN B 64 -10.000 15.815 8.137 1.00 53.09 N ATOM 1818 HE22 GLN B 64 -10.671 16.298 8.767 1.00 0.00 H ATOM 1819 HE21 GLN B 64 -9.451 16.363 7.444 1.00 0.00 H ATOM 1820 H GLN B 64 -9.906 11.922 12.167 1.00 0.00 H ATOM 1821 N LEU B 65 -7.825 14.582 12.899 1.00 33.34 N ATOM 1822 CA LEU B 65 -6.981 15.524 13.623 1.00 33.51 C ATOM 1823 C LEU B 65 -5.472 15.229 13.420 1.00 33.39 C ATOM 1824 O LEU B 65 -4.675 16.166 13.441 1.00 33.14 O ATOM 1825 CB LEU B 65 -7.364 15.440 15.109 1.00 34.79 C ATOM 1826 CG LEU B 65 -6.516 16.197 16.114 1.00 42.22 C ATOM 1827 CD1 LEU B 65 -7.278 17.401 16.659 1.00 44.97 C ATOM 1828 CD2 LEU B 65 -6.099 15.290 17.241 1.00 44.33 C ATOM 1829 H LEU B 65 -8.406 13.929 13.462 1.00 0.00 H ATOM 1830 N LYS B 66 -5.083 13.949 13.213 1.00 27.62 N ATOM 1831 CA LYS B 66 -3.664 13.550 13.080 1.00 26.99 C ATOM 1832 C LYS B 66 -3.282 12.989 11.685 1.00 31.10 C ATOM 1833 O LYS B 66 -2.109 12.658 11.434 1.00 30.24 O ATOM 1834 CB LYS B 66 -3.337 12.481 14.142 1.00 30.57 C ATOM 1835 CG LYS B 66 -3.489 12.966 15.585 1.00 39.61 C ATOM 1836 CD LYS B 66 -3.770 11.806 16.527 1.00 52.91 C ATOM 1837 CE LYS B 66 -2.863 11.807 17.733 1.00 69.27 C ATOM 1838 NZ LYS B 66 -3.015 10.561 18.533 1.00 73.61 N ATOM 1839 HZ1 LYS B 66 -3.999 10.479 18.861 1.00 0.00 H ATOM 1840 HZ2 LYS B 66 -2.776 9.740 17.942 1.00 0.00 H ATOM 1841 HZ3 LYS B 66 -2.377 10.597 19.353 1.00 0.00 H ATOM 1842 H LYS B 66 -5.814 13.213 13.144 1.00 0.00 H ATOM 1843 N ARG B 67 -4.273 12.842 10.817 1.00 29.07 N ATOM 1844 CA ARG B 67 -4.115 12.243 9.491 1.00 28.07 C ATOM 1845 C ARG B 67 -3.058 12.892 8.614 1.00 29.14 C ATOM 1846 O ARG B 67 -2.337 12.177 7.913 1.00 28.11 O ATOM 1847 CB ARG B 67 -5.451 12.198 8.742 1.00 29.65 C ATOM 1848 CG ARG B 67 -5.357 11.201 7.584 1.00 35.39 C ATOM 1849 CD ARG B 67 -6.659 10.878 6.964 1.00 31.68 C ATOM 1850 NE ARG B 67 -7.610 10.291 7.906 1.00 31.22 N ATOM 1851 CZ ARG B 67 -8.869 10.047 7.585 1.00 34.36 C ATOM 1852 NH1 ARG B 67 -9.311 10.318 6.367 1.00 25.92 N ATOM 1853 NH2 ARG B 67 -9.700 9.534 8.480 1.00 24.09 N ATOM 1854 HE ARG B 67 -7.284 10.056 8.865 1.00 0.00 H ATOM 1855 HH12 ARG B 67 -10.302 10.125 6.118 1.00 0.00 H ATOM 1856 HH11 ARG B 67 -8.667 10.724 5.659 1.00 0.00 H ATOM 1857 HH22 ARG B 67 -10.689 9.344 8.222 1.00 0.00 H ATOM 1858 HH21 ARG B 67 -9.363 9.321 9.441 1.00 0.00 H ATOM 1859 H ARG B 67 -5.219 13.172 11.095 1.00 0.00 H ATOM 1860 N ASN B 68 -2.968 14.225 8.640 1.00 24.99 N ATOM 1861 CA ASN B 68 -2.049 14.924 7.750 1.00 25.96 C ATOM 1862 C ASN B 68 -0.650 15.172 8.360 1.00 32.81 C ATOM 1863 O ASN B 68 0.161 15.875 7.747 1.00 33.25 O ATOM 1864 CB ASN B 68 -2.708 16.207 7.229 1.00 30.51 C ATOM 1865 CG ASN B 68 -3.837 15.892 6.262 1.00 52.16 C ATOM 1866 OD1 ASN B 68 -3.614 15.495 5.114 1.00 46.05 O ATOM 1867 ND2 ASN B 68 -5.078 15.991 6.719 1.00 43.63 N ATOM 1868 HD22 ASN B 68 -5.250 16.327 7.688 1.00 0.00 H ATOM 1869 HD21 ASN B 68 -5.879 15.733 6.108 1.00 0.00 H ATOM 1870 H ASN B 68 -3.559 14.769 9.301 1.00 0.00 H ATOM 1871 N LEU B 69 -0.346 14.549 9.525 1.00 28.80 N ATOM 1872 CA LEU B 69 0.978 14.676 10.148 1.00 28.45 C ATOM 1873 C LEU B 69 2.067 14.166 9.222 1.00 32.02 C ATOM 1874 O LEU B 69 1.884 13.130 8.587 1.00 29.71 O ATOM 1875 CB LEU B 69 1.044 13.975 11.523 1.00 28.40 C ATOM 1876 CG LEU B 69 0.445 14.783 12.709 1.00 33.63 C ATOM 1877 CD1 LEU B 69 0.418 13.977 13.971 1.00 33.22 C ATOM 1878 CD2 LEU B 69 1.192 16.090 12.939 1.00 34.98 C ATOM 1879 H LEU B 69 -1.070 13.965 9.990 1.00 0.00 H ATOM 1880 N SER B 70 3.188 14.918 9.111 1.00 30.83 N ATOM 1881 CA SER B 70 4.302 14.530 8.230 1.00 30.45 C ATOM 1882 C SER B 70 5.447 13.863 9.016 1.00 30.72 C ATOM 1883 O SER B 70 6.344 13.281 8.414 1.00 27.80 O ATOM 1884 CB SER B 70 4.816 15.754 7.474 1.00 36.47 C ATOM 1885 OG SER B 70 5.161 16.776 8.396 1.00 50.91 O ATOM 1886 HG SER B 70 5.493 17.567 7.901 1.00 0.00 H ATOM 1887 H SER B 70 3.264 15.795 9.664 1.00 0.00 H ATOM 1888 N VAL B 71 5.416 13.987 10.368 1.00 28.72 N ATOM 1889 CA VAL B 71 6.421 13.494 11.307 1.00 28.70 C ATOM 1890 C VAL B 71 5.727 12.881 12.521 1.00 33.09 C ATOM 1891 O VAL B 71 4.821 13.493 13.091 1.00 32.99 O ATOM 1892 CB VAL B 71 7.415 14.611 11.799 1.00 34.00 C ATOM 1893 CG1 VAL B 71 8.632 14.000 12.491 1.00 34.45 C ATOM 1894 CG2 VAL B 71 7.860 15.553 10.680 1.00 34.48 C ATOM 1895 H VAL B 71 4.596 14.481 10.775 1.00 0.00 H ATOM 1896 N ILE B 72 6.173 11.684 12.926 1.00 26.70 N ATOM 1897 CA ILE B 72 5.715 11.012 14.136 1.00 25.97 C ATOM 1898 C ILE B 72 6.948 10.772 14.986 1.00 30.20 C ATOM 1899 O ILE B 72 7.916 10.150 14.518 1.00 27.74 O ATOM 1900 CB ILE B 72 4.921 9.692 13.861 1.00 28.76 C ATOM 1901 CG1 ILE B 72 3.608 9.942 13.044 1.00 29.01 C ATOM 1902 CG2 ILE B 72 4.644 8.874 15.170 1.00 30.66 C ATOM 1903 CD1 ILE B 72 2.497 10.848 13.682 1.00 34.44 C ATOM 1904 H ILE B 72 6.889 11.206 12.342 1.00 0.00 H ATOM 1905 N ASN B 73 6.915 11.244 16.245 1.00 27.08 N ATOM 1906 CA ASN B 73 8.024 10.981 17.149 1.00 27.99 C ATOM 1907 C ASN B 73 7.570 9.874 18.085 1.00 33.13 C ATOM 1908 O ASN B 73 6.645 10.092 18.858 1.00 32.54 O ATOM 1909 CB ASN B 73 8.417 12.238 17.946 1.00 28.33 C ATOM 1910 CG ASN B 73 9.114 13.315 17.159 1.00 43.47 C ATOM 1911 OD1 ASN B 73 10.341 13.311 17.013 1.00 42.58 O ATOM 1912 ND2 ASN B 73 8.364 14.324 16.740 1.00 33.67 N ATOM 1913 HD22 ASN B 73 7.333 14.298 16.877 1.00 0.00 H ATOM 1914 HD21 ASN B 73 8.806 15.142 16.274 1.00 0.00 H ATOM 1915 H ASN B 73 6.097 11.797 16.572 1.00 0.00 H ATOM 1916 N LEU B 74 8.195 8.680 18.006 1.00 30.61 N ATOM 1917 CA LEU B 74 7.853 7.555 18.890 1.00 30.74 C ATOM 1918 C LEU B 74 8.325 7.839 20.312 1.00 37.53 C ATOM 1919 O LEU B 74 9.201 8.691 20.489 1.00 36.51 O ATOM 1920 CB LEU B 74 8.465 6.239 18.383 1.00 30.08 C ATOM 1921 CG LEU B 74 7.952 5.643 17.076 1.00 32.50 C ATOM 1922 CD1 LEU B 74 8.207 4.157 17.062 1.00 33.40 C ATOM 1923 CD2 LEU B 74 6.446 5.890 16.873 1.00 30.90 C ATOM 1924 H LEU B 74 8.944 8.551 17.296 1.00 0.00 H ATOM 1925 N ASP B 75 7.763 7.145 21.325 1.00 37.77 N ATOM 1926 CA ASP B 75 8.170 7.381 22.721 1.00 40.54 C ATOM 1927 C ASP B 75 9.706 7.188 22.874 1.00 47.87 C ATOM 1928 O ASP B 75 10.271 6.337 22.177 1.00 48.03 O ATOM 1929 CB ASP B 75 7.313 6.589 23.741 1.00 43.63 C ATOM 1930 CG ASP B 75 7.822 5.228 24.184 1.00 61.62 C ATOM 1931 OD1 ASP B 75 8.745 5.183 25.031 1.00 62.36 O ATOM 1932 OD2 ASP B 75 7.213 4.213 23.789 1.00 72.55 O ATOM 1933 H ASP B 75 7.033 6.434 21.117 1.00 0.00 H ATOM 1934 N PRO B 76 10.406 8.058 23.656 1.00 46.49 N ATOM 1935 CA PRO B 76 11.883 7.989 23.715 1.00 47.13 C ATOM 1936 C PRO B 76 12.513 6.653 24.114 1.00 51.79 C ATOM 1937 O PRO B 76 13.719 6.477 23.899 1.00 52.33 O ATOM 1938 CB PRO B 76 12.259 9.090 24.714 1.00 50.05 C ATOM 1939 CG PRO B 76 11.003 9.409 25.449 1.00 54.35 C ATOM 1940 CD PRO B 76 9.897 9.178 24.474 1.00 48.54 C ATOM 1941 N GLU B 77 11.728 5.723 24.681 1.00 47.78 N ATOM 1942 CA GLU B 77 12.260 4.425 25.086 1.00 48.10 C ATOM 1943 C GLU B 77 12.154 3.340 23.998 1.00 51.36 C ATOM 1944 O GLU B 77 12.652 2.224 24.197 1.00 52.27 O ATOM 1945 CB GLU B 77 11.660 3.958 26.416 1.00 49.98 C ATOM 1946 CG GLU B 77 12.562 4.292 27.596 1.00 62.40 C ATOM 1947 CD GLU B 77 14.005 3.817 27.526 1.00 79.29 C ATOM 1948 OE1 GLU B 77 14.234 2.613 27.261 1.00 58.65 O ATOM 1949 OE2 GLU B 77 14.911 4.655 27.740 1.00 76.96 O ATOM 1950 H GLU B 77 10.721 5.931 24.835 1.00 0.00 H ATOM 1951 N ILE B 78 11.568 3.671 22.832 1.00 46.17 N ATOM 1952 CA ILE B 78 11.502 2.715 21.728 1.00 44.62 C ATOM 1953 C ILE B 78 12.873 2.627 21.081 1.00 48.16 C ATOM 1954 O ILE B 78 13.471 3.651 20.751 1.00 49.26 O ATOM 1955 CB ILE B 78 10.329 2.975 20.743 1.00 46.34 C ATOM 1956 CG1 ILE B 78 8.963 2.798 21.451 1.00 46.46 C ATOM 1957 CG2 ILE B 78 10.414 2.109 19.471 1.00 45.88 C ATOM 1958 CD1 ILE B 78 8.749 1.460 22.313 1.00 49.16 C ATOM 1959 H ILE B 78 11.157 4.619 22.715 1.00 0.00 H ATOM 1960 N ASN B 79 13.401 1.408 20.992 1.00 42.47 N ATOM 1961 CA ASN B 79 14.719 1.174 20.432 1.00 42.42 C ATOM 1962 C ASN B 79 14.661 1.161 18.894 1.00 42.60 C ATOM 1963 O ASN B 79 13.742 0.553 18.325 1.00 40.07 O ATOM 1964 CB ASN B 79 15.331 -0.073 21.057 1.00 44.55 C ATOM 1965 CG ASN B 79 16.128 -0.959 20.148 1.00 61.95 C ATOM 1966 OD1 ASN B 79 15.668 -2.035 19.767 1.00 42.21 O ATOM 1967 ND2 ASN B 79 17.369 -0.570 19.868 1.00 60.84 N ATOM 1968 HD22 ASN B 79 17.716 0.348 20.211 1.00 0.00 H ATOM 1969 HD21 ASN B 79 17.992 -1.184 19.306 1.00 0.00 H ATOM 1970 H ASN B 79 12.850 0.596 21.336 1.00 0.00 H ATOM 1971 N PRO B 80 15.592 1.882 18.214 1.00 38.68 N ATOM 1972 CA PRO B 80 15.563 1.937 16.739 1.00 36.92 C ATOM 1973 C PRO B 80 15.721 0.584 16.070 1.00 37.69 C ATOM 1974 O PRO B 80 15.151 0.387 15.006 1.00 35.84 O ATOM 1975 CB PRO B 80 16.740 2.856 16.383 1.00 40.08 C ATOM 1976 CG PRO B 80 17.072 3.583 17.623 1.00 45.35 C ATOM 1977 CD PRO B 80 16.724 2.663 18.752 1.00 41.64 C ATOM 1978 N GLU B 81 16.514 -0.329 16.687 1.00 34.96 N ATOM 1979 CA GLU B 81 16.757 -1.677 16.192 1.00 34.52 C ATOM 1980 C GLU B 81 15.413 -2.400 16.024 1.00 35.17 C ATOM 1981 O GLU B 81 15.083 -2.832 14.923 1.00 33.89 O ATOM 1982 CB GLU B 81 17.659 -2.442 17.169 1.00 37.72 C ATOM 1983 CG GLU B 81 17.953 -3.876 16.769 1.00 45.13 C ATOM 1984 CD GLU B 81 18.515 -4.767 17.859 1.00 60.94 C ATOM 1985 OE1 GLU B 81 18.281 -4.484 19.057 1.00 63.18 O ATOM 1986 OE2 GLU B 81 19.145 -5.788 17.505 1.00 49.20 O ATOM 1987 H GLU B 81 16.979 -0.047 17.573 1.00 0.00 H ATOM 1988 N GLY B 82 14.660 -2.503 17.116 1.00 30.15 N ATOM 1989 CA GLY B 82 13.358 -3.154 17.126 1.00 29.27 C ATOM 1990 C GLY B 82 12.373 -2.547 16.155 1.00 29.50 C ATOM 1991 O GLY B 82 11.654 -3.289 15.482 1.00 28.23 O ATOM 1992 H GLY B 82 15.019 -2.099 18.005 1.00 0.00 H ATOM 1993 N PHE B 83 12.352 -1.186 16.058 1.00 24.89 N ATOM 1994 CA PHE B 83 11.464 -0.493 15.128 1.00 24.23 C ATOM 1995 C PHE B 83 11.842 -0.884 13.696 1.00 27.07 C ATOM 1996 O PHE B 83 10.961 -1.248 12.924 1.00 24.67 O ATOM 1997 CB PHE B 83 11.476 1.052 15.275 1.00 25.23 C ATOM 1998 CG PHE B 83 10.467 1.658 14.325 1.00 25.21 C ATOM 1999 CD1 PHE B 83 9.104 1.576 14.589 1.00 27.32 C ATOM 2000 CD2 PHE B 83 10.868 2.168 13.088 1.00 27.39 C ATOM 2001 CE1 PHE B 83 8.165 2.036 13.663 1.00 28.64 C ATOM 2002 CE2 PHE B 83 9.928 2.631 12.162 1.00 28.50 C ATOM 2003 CZ PHE B 83 8.586 2.553 12.445 1.00 27.39 C ATOM 2004 H PHE B 83 12.986 -0.626 16.663 1.00 0.00 H ATOM 2005 N ASN B 84 13.137 -0.848 13.373 1.00 24.40 N ATOM 2006 CA ASN B 84 13.647 -1.220 12.041 1.00 24.27 C ATOM 2007 C ASN B 84 13.224 -2.630 11.631 1.00 28.18 C ATOM 2008 O ASN B 84 12.883 -2.839 10.469 1.00 27.67 O ATOM 2009 CB ASN B 84 15.186 -1.093 11.970 1.00 29.72 C ATOM 2010 CG ASN B 84 15.734 -1.362 10.588 1.00 51.01 C ATOM 2011 OD1 ASN B 84 15.922 -2.511 10.168 1.00 51.04 O ATOM 2012 ND2 ASN B 84 15.957 -0.311 9.835 1.00 44.40 N ATOM 2013 HD22 ASN B 84 15.791 0.644 10.212 1.00 0.00 H ATOM 2014 HD21 ASN B 84 16.300 -0.433 8.861 1.00 0.00 H ATOM 2015 H ASN B 84 13.819 -0.543 14.096 1.00 0.00 H ATOM 2016 N ILE B 85 13.314 -3.599 12.563 1.00 27.42 N ATOM 2017 CA ILE B 85 12.981 -5.012 12.338 1.00 26.36 C ATOM 2018 C ILE B 85 11.490 -5.141 11.967 1.00 25.25 C ATOM 2019 O ILE B 85 11.171 -5.815 11.001 1.00 23.79 O ATOM 2020 CB ILE B 85 13.399 -5.879 13.565 1.00 29.93 C ATOM 2021 CG1 ILE B 85 14.931 -6.091 13.588 1.00 31.89 C ATOM 2022 CG2 ILE B 85 12.635 -7.230 13.656 1.00 28.29 C ATOM 2023 CD1 ILE B 85 15.537 -6.185 14.965 1.00 45.67 C ATOM 2024 H ILE B 85 13.643 -3.327 13.511 1.00 0.00 H ATOM 2025 N LEU B 86 10.627 -4.435 12.682 1.00 23.92 N ATOM 2026 CA LEU B 86 9.164 -4.422 12.496 1.00 22.28 C ATOM 2027 C LEU B 86 8.722 -3.664 11.254 1.00 25.14 C ATOM 2028 O LEU B 86 7.786 -4.111 10.592 1.00 22.92 O ATOM 2029 CB LEU B 86 8.451 -3.926 13.755 1.00 22.68 C ATOM 2030 CG LEU B 86 8.636 -4.848 14.971 1.00 28.48 C ATOM 2031 CD1 LEU B 86 8.186 -4.183 16.232 1.00 28.00 C ATOM 2032 CD2 LEU B 86 7.966 -6.209 14.775 1.00 31.93 C ATOM 2033 H LEU B 86 11.015 -3.838 13.440 1.00 0.00 H ATOM 2034 N LEU B 87 9.413 -2.571 10.898 1.00 20.75 N ATOM 2035 CA LEU B 87 9.142 -1.834 9.658 1.00 19.34 C ATOM 2036 C LEU B 87 9.485 -2.721 8.463 1.00 19.80 C ATOM 2037 O LEU B 87 8.712 -2.809 7.538 1.00 19.93 O ATOM 2038 CB LEU B 87 9.969 -0.536 9.624 1.00 19.92 C ATOM 2039 CG LEU B 87 9.722 0.398 8.475 1.00 23.70 C ATOM 2040 CD1 LEU B 87 8.316 0.959 8.531 1.00 22.95 C ATOM 2041 CD2 LEU B 87 10.721 1.546 8.497 1.00 22.02 C ATOM 2042 H LEU B 87 10.170 -2.232 11.525 1.00 0.00 H ATOM 2043 N ASP B 88 10.634 -3.405 8.492 1.00 18.45 N ATOM 2044 CA ASP B 88 11.007 -4.358 7.438 1.00 17.33 C ATOM 2045 C ASP B 88 9.946 -5.447 7.322 1.00 22.90 C ATOM 2046 O ASP B 88 9.555 -5.791 6.207 1.00 22.98 O ATOM 2047 CB ASP B 88 12.356 -4.999 7.762 1.00 20.22 C ATOM 2048 CG ASP B 88 13.578 -4.184 7.397 1.00 33.09 C ATOM 2049 OD1 ASP B 88 13.433 -3.192 6.652 1.00 34.49 O ATOM 2050 OD2 ASP B 88 14.692 -4.591 7.780 1.00 36.08 O ATOM 2051 H ASP B 88 11.286 -3.257 9.289 1.00 0.00 H ATOM 2052 N PHE B 89 9.467 -5.964 8.471 1.00 18.94 N ATOM 2053 CA PHE B 89 8.445 -7.006 8.529 1.00 19.49 C ATOM 2054 C PHE B 89 7.181 -6.533 7.849 1.00 22.78 C ATOM 2055 O PHE B 89 6.592 -7.273 7.052 1.00 22.18 O ATOM 2056 CB PHE B 89 8.128 -7.430 9.984 1.00 21.70 C ATOM 2057 CG PHE B 89 6.802 -8.172 10.073 1.00 25.14 C ATOM 2058 CD1 PHE B 89 6.707 -9.511 9.695 1.00 28.63 C ATOM 2059 CD2 PHE B 89 5.632 -7.502 10.428 1.00 27.57 C ATOM 2060 CE1 PHE B 89 5.467 -10.171 9.704 1.00 29.17 C ATOM 2061 CE2 PHE B 89 4.396 -8.171 10.458 1.00 30.03 C ATOM 2062 CZ PHE B 89 4.323 -9.498 10.104 1.00 27.86 C ATOM 2063 H PHE B 89 9.847 -5.600 9.368 1.00 0.00 H ATOM 2064 N MET B 90 6.763 -5.286 8.172 1.00 18.96 N ATOM 2065 CA MET B 90 5.562 -4.678 7.624 1.00 17.69 C ATOM 2066 C MET B 90 5.608 -4.769 6.091 1.00 21.53 C ATOM 2067 O MET B 90 4.614 -5.125 5.454 1.00 22.07 O ATOM 2068 CB MET B 90 5.507 -3.187 8.026 1.00 18.89 C ATOM 2069 CG MET B 90 5.344 -2.978 9.509 1.00 21.71 C ATOM 2070 SD MET B 90 4.817 -1.282 9.796 1.00 23.09 S ATOM 2071 CE MET B 90 4.696 -1.312 11.563 1.00 21.21 C ATOM 2072 H MET B 90 7.331 -4.735 8.847 1.00 0.00 H ATOM 2073 N TYR B 91 6.748 -4.402 5.519 1.00 18.31 N ATOM 2074 CA TYR B 91 6.933 -4.333 4.070 1.00 17.05 C ATOM 2075 C TYR B 91 7.406 -5.618 3.380 1.00 22.27 C ATOM 2076 O TYR B 91 7.554 -5.599 2.143 1.00 22.72 O ATOM 2077 CB TYR B 91 7.934 -3.239 3.751 1.00 18.65 C ATOM 2078 CG TYR B 91 7.323 -1.864 3.715 1.00 19.76 C ATOM 2079 CD1 TYR B 91 7.233 -1.092 4.870 1.00 21.90 C ATOM 2080 CD2 TYR B 91 6.924 -1.287 2.506 1.00 19.68 C ATOM 2081 CE1 TYR B 91 6.671 0.183 4.841 1.00 23.16 C ATOM 2082 CE2 TYR B 91 6.430 0.011 2.458 1.00 20.17 C ATOM 2083 CZ TYR B 91 6.289 0.736 3.632 1.00 24.97 C ATOM 2084 OH TYR B 91 5.846 2.035 3.604 1.00 24.45 O ATOM 2085 HH TYR B 91 6.469 2.583 3.064 1.00 0.00 H ATOM 2086 H TYR B 91 7.550 -4.151 6.132 1.00 0.00 H ATOM 2087 N THR B 92 7.647 -6.711 4.143 1.00 21.04 N ATOM 2088 CA THR B 92 8.208 -7.941 3.550 1.00 20.52 C ATOM 2089 C THR B 92 7.502 -9.239 3.944 1.00 24.91 C ATOM 2090 O THR B 92 7.728 -10.237 3.258 1.00 24.78 O ATOM 2091 CB THR B 92 9.730 -8.151 3.918 1.00 25.81 C ATOM 2092 OG1 THR B 92 9.862 -8.404 5.327 1.00 23.33 O ATOM 2093 CG2 THR B 92 10.662 -7.029 3.446 1.00 23.79 C ATOM 2094 HG1 THR B 92 9.506 -7.632 5.834 1.00 0.00 H ATOM 2095 H THR B 92 7.434 -6.683 5.161 1.00 0.00 H ATOM 2096 N SER B 93 6.797 -9.277 5.113 1.00 23.58 N ATOM 2097 CA SER B 93 6.174 -10.492 5.717 1.00 24.24 C ATOM 2098 C SER B 93 7.247 -11.375 6.400 1.00 26.22 C ATOM 2099 O SER B 93 6.954 -12.510 6.818 1.00 27.22 O ATOM 2100 CB SER B 93 5.430 -11.340 4.676 1.00 28.66 C ATOM 2101 OG SER B 93 4.500 -10.605 3.904 1.00 29.14 O ATOM 2102 HG SER B 93 4.059 -11.210 3.257 1.00 0.00 H ATOM 2103 H SER B 93 6.684 -8.381 5.628 1.00 0.00 H ATOM 2104 N ARG B 94 8.488 -10.872 6.478 1.00 21.63 N ATOM 2105 CA ARG B 94 9.618 -11.593 7.071 1.00 23.35 C ATOM 2106 C ARG B 94 10.035 -10.939 8.377 1.00 26.80 C ATOM 2107 O ARG B 94 10.323 -9.735 8.415 1.00 25.49 O ATOM 2108 CB ARG B 94 10.801 -11.693 6.103 1.00 25.70 C ATOM 2109 CG ARG B 94 10.458 -12.352 4.761 1.00 33.62 C ATOM 2110 CD ARG B 94 11.675 -12.961 4.092 1.00 42.33 C ATOM 2111 NE ARG B 94 11.313 -14.193 3.388 1.00 65.06 N ATOM 2112 CZ ARG B 94 12.112 -14.862 2.561 1.00 83.12 C ATOM 2113 NH1 ARG B 94 13.335 -14.415 2.299 1.00 73.31 N ATOM 2114 NH2 ARG B 94 11.690 -15.978 1.982 1.00 68.11 N ATOM 2115 HE ARG B 94 10.358 -14.574 3.547 1.00 0.00 H ATOM 2116 HH12 ARG B 94 13.954 -14.943 1.651 1.00 0.00 H ATOM 2117 HH11 ARG B 94 13.674 -13.537 2.741 1.00 0.00 H ATOM 2118 HH22 ARG B 94 12.318 -16.498 1.336 1.00 0.00 H ATOM 2119 HH21 ARG B 94 10.731 -16.333 2.174 1.00 0.00 H ATOM 2120 H ARG B 94 8.658 -9.919 6.097 1.00 0.00 H ATOM 2121 N LEU B 95 10.015 -11.721 9.447 1.00 24.09 N ATOM 2122 CA LEU B 95 10.353 -11.261 10.790 1.00 24.50 C ATOM 2123 C LEU B 95 11.715 -11.813 11.249 1.00 31.11 C ATOM 2124 O LEU B 95 11.842 -13.022 11.461 1.00 32.65 O ATOM 2125 CB LEU B 95 9.254 -11.654 11.786 1.00 24.41 C ATOM 2126 CG LEU B 95 9.455 -11.156 13.221 1.00 28.88 C ATOM 2127 CD1 LEU B 95 9.369 -9.628 13.306 1.00 27.96 C ATOM 2128 CD2 LEU B 95 8.486 -11.824 14.166 1.00 31.70 C ATOM 2129 H LEU B 95 9.743 -12.717 9.323 1.00 0.00 H ATOM 2130 N ASN B 96 12.709 -10.916 11.417 1.00 28.37 N ATOM 2131 CA ASN B 96 14.076 -11.260 11.873 1.00 31.46 C ATOM 2132 C ASN B 96 14.167 -11.350 13.401 1.00 39.46 C ATOM 2133 O ASN B 96 14.690 -10.443 14.054 1.00 40.87 O ATOM 2134 CB ASN B 96 15.111 -10.252 11.300 1.00 33.41 C ATOM 2135 CG ASN B 96 16.568 -10.492 11.643 1.00 55.63 C ATOM 2136 OD1 ASN B 96 17.029 -11.626 11.850 1.00 48.09 O ATOM 2137 ND2 ASN B 96 17.326 -9.408 11.715 1.00 48.41 N ATOM 2138 HD22 ASN B 96 16.912 -8.471 11.536 1.00 0.00 H ATOM 2139 HD21 ASN B 96 18.335 -9.494 11.950 1.00 0.00 H ATOM 2140 H ASN B 96 12.502 -9.917 11.213 1.00 0.00 H ATOM 2141 N LEU B 97 13.643 -12.438 13.973 1.00 38.81 N ATOM 2142 CA LEU B 97 13.767 -12.680 15.414 1.00 40.01 C ATOM 2143 C LEU B 97 15.042 -13.475 15.693 1.00 44.68 C ATOM 2144 O LEU B 97 15.289 -14.497 15.048 1.00 45.14 O ATOM 2145 CB LEU B 97 12.578 -13.465 15.979 1.00 40.82 C ATOM 2146 CG LEU B 97 11.375 -12.677 16.481 1.00 45.98 C ATOM 2147 CD1 LEU B 97 10.375 -13.615 17.152 1.00 47.27 C ATOM 2148 CD2 LEU B 97 11.790 -11.580 17.450 1.00 47.82 C ATOM 2149 H LEU B 97 13.136 -13.128 13.383 1.00 0.00 H ATOM 2150 N ARG B 98 15.841 -13.008 16.655 1.00 41.69 N ATOM 2151 CA ARG B 98 17.076 -13.662 17.116 1.00 42.59 C ATOM 2152 C ARG B 98 17.136 -13.569 18.642 1.00 46.28 C ATOM 2153 O ARG B 98 16.240 -12.977 19.242 1.00 43.61 O ATOM 2154 CB ARG B 98 18.319 -13.016 16.485 1.00 43.66 C ATOM 2155 CG ARG B 98 18.598 -13.475 15.073 1.00 50.82 C ATOM 2156 CD ARG B 98 19.467 -12.465 14.349 1.00 65.46 C ATOM 2157 NE ARG B 98 19.798 -12.893 12.988 1.00 76.14 N ATOM 2158 CZ ARG B 98 21.001 -12.771 12.433 1.00 88.69 C ATOM 2159 NH1 ARG B 98 22.004 -12.228 13.115 1.00 74.53 N ATOM 2160 NH2 ARG B 98 21.211 -13.190 11.193 1.00 74.36 N ATOM 2161 HE ARG B 98 19.042 -13.321 12.417 1.00 0.00 H ATOM 2162 HH12 ARG B 98 22.942 -12.136 12.675 1.00 0.00 H ATOM 2163 HH11 ARG B 98 21.851 -11.895 14.088 1.00 0.00 H ATOM 2164 HH22 ARG B 98 22.153 -13.092 10.764 1.00 0.00 H ATOM 2165 HH21 ARG B 98 20.434 -13.616 10.649 1.00 0.00 H ATOM 2166 H ARG B 98 15.570 -12.115 17.113 1.00 0.00 H ATOM 2167 N GLU B 99 18.178 -14.142 19.269 1.00 44.23 N ATOM 2168 CA GLU B 99 18.351 -14.113 20.730 1.00 45.59 C ATOM 2169 C GLU B 99 18.713 -12.701 21.246 1.00 50.38 C ATOM 2170 O GLU B 99 18.266 -12.300 22.323 1.00 50.33 O ATOM 2171 CB GLU B 99 19.420 -15.141 21.181 1.00 49.40 C ATOM 2172 CG GLU B 99 19.110 -16.592 20.846 1.00 61.13 C ATOM 2173 CD GLU B 99 20.184 -17.578 21.272 1.00 86.59 C ATOM 2174 OE1 GLU B 99 19.988 -18.267 22.299 1.00 83.30 O ATOM 2175 OE2 GLU B 99 21.224 -17.660 20.579 1.00 83.44 O ATOM 2176 H GLU B 99 18.895 -14.629 18.695 1.00 0.00 H ATOM 2177 N GLY B 100 19.519 -11.973 20.475 1.00 48.52 N ATOM 2178 CA GLY B 100 19.996 -10.639 20.831 1.00 48.66 C ATOM 2179 C GLY B 100 19.017 -9.490 20.651 1.00 50.64 C ATOM 2180 O GLY B 100 19.281 -8.384 21.137 1.00 50.50 O ATOM 2181 H GLY B 100 19.826 -12.378 19.568 1.00 0.00 H ATOM 2182 N ASN B 101 17.885 -9.733 19.965 1.00 45.52 N ATOM 2183 CA ASN B 101 16.877 -8.698 19.685 1.00 43.35 C ATOM 2184 C ASN B 101 15.454 -9.012 20.194 1.00 46.04 C ATOM 2185 O ASN B 101 14.631 -8.088 20.257 1.00 45.29 O ATOM 2186 CB ASN B 101 16.844 -8.363 18.164 1.00 39.17 C ATOM 2187 CG ASN B 101 16.260 -9.427 17.244 1.00 47.44 C ATOM 2188 OD1 ASN B 101 15.487 -10.296 17.646 1.00 33.45 O ATOM 2189 ND2 ASN B 101 16.580 -9.357 15.959 1.00 42.52 N ATOM 2190 HD22 ASN B 101 17.234 -8.620 15.625 1.00 0.00 H ATOM 2191 HD21 ASN B 101 16.177 -10.039 15.285 1.00 0.00 H ATOM 2192 H ASN B 101 17.714 -10.698 19.616 1.00 0.00 H ATOM 2193 N ILE B 102 15.157 -10.296 20.505 1.00 41.71 N ATOM 2194 CA ILE B 102 13.832 -10.804 20.907 1.00 41.75 C ATOM 2195 C ILE B 102 13.082 -9.869 21.884 1.00 45.95 C ATOM 2196 O ILE B 102 11.932 -9.487 21.610 1.00 42.86 O ATOM 2197 CB ILE B 102 13.869 -12.283 21.418 1.00 46.43 C ATOM 2198 CG1 ILE B 102 12.485 -12.790 21.898 1.00 46.24 C ATOM 2199 CG2 ILE B 102 14.946 -12.533 22.486 1.00 49.78 C ATOM 2200 CD1 ILE B 102 11.488 -13.090 20.845 1.00 48.89 C ATOM 2201 H ILE B 102 15.933 -10.986 20.456 1.00 0.00 H ATOM 2202 N MET B 103 13.724 -9.501 23.003 1.00 44.99 N ATOM 2203 CA MET B 103 13.086 -8.630 23.984 1.00 44.52 C ATOM 2204 C MET B 103 12.749 -7.258 23.401 1.00 47.89 C ATOM 2205 O MET B 103 11.616 -6.797 23.575 1.00 46.47 O ATOM 2206 CB MET B 103 13.901 -8.538 25.279 1.00 48.42 C ATOM 2207 CG MET B 103 14.030 -9.872 26.010 1.00 53.88 C ATOM 2208 SD MET B 103 12.548 -10.925 26.024 1.00 57.70 S ATOM 2209 CE MET B 103 11.573 -10.087 27.244 1.00 54.06 C ATOM 2210 H MET B 103 14.692 -9.842 23.174 1.00 0.00 H ATOM 2211 N ALA B 104 13.696 -6.652 22.646 1.00 43.14 N ATOM 2212 CA ALA B 104 13.514 -5.349 22.005 1.00 40.73 C ATOM 2213 C ALA B 104 12.373 -5.386 20.986 1.00 40.79 C ATOM 2214 O ALA B 104 11.527 -4.505 21.020 1.00 38.57 O ATOM 2215 CB ALA B 104 14.806 -4.890 21.352 1.00 41.77 C ATOM 2216 H ALA B 104 14.605 -7.141 22.514 1.00 0.00 H ATOM 2217 N VAL B 105 12.309 -6.441 20.147 1.00 36.29 N ATOM 2218 CA VAL B 105 11.272 -6.627 19.125 1.00 33.58 C ATOM 2219 C VAL B 105 9.877 -6.805 19.747 1.00 33.13 C ATOM 2220 O VAL B 105 8.948 -6.135 19.309 1.00 29.97 O ATOM 2221 CB VAL B 105 11.616 -7.774 18.137 1.00 38.21 C ATOM 2222 CG1 VAL B 105 10.470 -8.022 17.149 1.00 36.90 C ATOM 2223 CG2 VAL B 105 12.909 -7.471 17.380 1.00 38.38 C ATOM 2224 H VAL B 105 13.044 -7.172 20.230 1.00 0.00 H ATOM 2225 N MET B 106 9.735 -7.713 20.753 1.00 30.84 N ATOM 2226 CA MET B 106 8.469 -7.986 21.424 1.00 30.74 C ATOM 2227 C MET B 106 7.926 -6.703 22.055 1.00 32.31 C ATOM 2228 O MET B 106 6.764 -6.369 21.831 1.00 29.36 O ATOM 2229 CB MET B 106 8.639 -9.077 22.481 1.00 35.58 C ATOM 2230 CG MET B 106 7.316 -9.587 23.045 1.00 41.30 C ATOM 2231 SD MET B 106 7.469 -11.170 23.914 1.00 50.07 S ATOM 2232 CE MET B 106 8.911 -10.849 24.904 1.00 48.07 C ATOM 2233 H MET B 106 10.577 -8.241 21.060 1.00 0.00 H ATOM 2234 N ALA B 107 8.792 -5.967 22.780 1.00 31.06 N ATOM 2235 CA ALA B 107 8.458 -4.703 23.448 1.00 32.27 C ATOM 2236 C ALA B 107 8.036 -3.645 22.453 1.00 33.44 C ATOM 2237 O ALA B 107 7.097 -2.901 22.727 1.00 33.43 O ATOM 2238 CB ALA B 107 9.642 -4.213 24.272 1.00 34.51 C ATOM 2239 H ALA B 107 9.766 -6.320 22.873 1.00 0.00 H ATOM 2240 N THR B 108 8.695 -3.604 21.274 1.00 28.66 N ATOM 2241 CA THR B 108 8.365 -2.648 20.206 1.00 27.40 C ATOM 2242 C THR B 108 7.030 -3.034 19.532 1.00 29.60 C ATOM 2243 O THR B 108 6.226 -2.152 19.272 1.00 27.79 O ATOM 2244 CB THR B 108 9.544 -2.458 19.222 1.00 33.82 C ATOM 2245 OG1 THR B 108 10.739 -2.173 19.959 1.00 30.78 O ATOM 2246 CG2 THR B 108 9.299 -1.333 18.223 1.00 34.87 C ATOM 2247 HG1 THR B 108 10.936 -2.927 20.570 1.00 0.00 H ATOM 2248 H THR B 108 9.470 -4.279 21.115 1.00 0.00 H ATOM 2249 N ALA B 109 6.787 -4.349 19.296 1.00 25.32 N ATOM 2250 CA ALA B 109 5.533 -4.861 18.723 1.00 23.09 C ATOM 2251 C ALA B 109 4.339 -4.577 19.619 1.00 27.40 C ATOM 2252 O ALA B 109 3.244 -4.291 19.109 1.00 25.68 O ATOM 2253 CB ALA B 109 5.652 -6.353 18.472 1.00 24.27 C ATOM 2254 H ALA B 109 7.532 -5.035 19.535 1.00 0.00 H ATOM 2255 N MET B 110 4.542 -4.648 20.959 1.00 24.71 N ATOM 2256 CA MET B 110 3.492 -4.355 21.944 1.00 25.77 C ATOM 2257 C MET B 110 3.119 -2.876 21.826 1.00 30.38 C ATOM 2258 O MET B 110 1.938 -2.523 21.759 1.00 28.14 O ATOM 2259 CB MET B 110 3.995 -4.647 23.357 1.00 29.14 C ATOM 2260 CG MET B 110 4.159 -6.115 23.654 1.00 34.54 C ATOM 2261 SD MET B 110 4.836 -6.356 25.309 1.00 40.44 S ATOM 2262 CE MET B 110 3.578 -5.515 26.281 1.00 37.33 C ATOM 2263 H MET B 110 5.484 -4.922 21.304 1.00 0.00 H ATOM 2264 N TYR B 111 4.157 -2.011 21.781 1.00 28.05 N ATOM 2265 CA TYR B 111 3.973 -0.576 21.628 1.00 28.19 C ATOM 2266 C TYR B 111 3.295 -0.266 20.291 1.00 28.94 C ATOM 2267 O TYR B 111 2.369 0.531 20.247 1.00 28.46 O ATOM 2268 CB TYR B 111 5.322 0.157 21.763 1.00 30.38 C ATOM 2269 CG TYR B 111 5.233 1.629 21.422 1.00 32.96 C ATOM 2270 CD1 TYR B 111 4.611 2.528 22.282 1.00 36.14 C ATOM 2271 CD2 TYR B 111 5.731 2.115 20.216 1.00 33.10 C ATOM 2272 CE1 TYR B 111 4.496 3.879 21.956 1.00 38.96 C ATOM 2273 CE2 TYR B 111 5.648 3.466 19.892 1.00 33.71 C ATOM 2274 CZ TYR B 111 5.021 4.345 20.762 1.00 44.50 C ATOM 2275 OH TYR B 111 4.929 5.682 20.460 1.00 43.26 O ATOM 2276 HH TYR B 111 4.453 6.152 21.190 1.00 0.00 H ATOM 2277 H TYR B 111 5.124 -2.386 21.859 1.00 0.00 H ATOM 2278 N LEU B 112 3.734 -0.917 19.205 1.00 24.27 N ATOM 2279 CA LEU B 112 3.132 -0.670 17.902 1.00 22.89 C ATOM 2280 C LEU B 112 1.760 -1.346 17.745 1.00 26.62 C ATOM 2281 O LEU B 112 1.074 -1.058 16.767 1.00 27.96 O ATOM 2282 CB LEU B 112 4.071 -1.078 16.754 1.00 22.32 C ATOM 2283 CG LEU B 112 5.371 -0.274 16.599 1.00 27.05 C ATOM 2284 CD1 LEU B 112 6.123 -0.745 15.373 1.00 27.96 C ATOM 2285 CD2 LEU B 112 5.090 1.247 16.506 1.00 27.51 C ATOM 2286 H LEU B 112 4.510 -1.604 19.293 1.00 0.00 H ATOM 2287 N GLN B 113 1.353 -2.203 18.718 1.00 21.66 N ATOM 2288 CA GLN B 113 0.081 -2.960 18.679 1.00 22.97 C ATOM 2289 C GLN B 113 0.053 -3.851 17.411 1.00 28.08 C ATOM 2290 O GLN B 113 -0.681 -3.608 16.443 1.00 27.55 O ATOM 2291 CB GLN B 113 -1.151 -2.048 18.780 1.00 23.62 C ATOM 2292 CG GLN B 113 -1.117 -1.065 19.967 1.00 23.09 C ATOM 2293 CD GLN B 113 -2.170 0.019 19.879 1.00 41.51 C ATOM 2294 OE1 GLN B 113 -1.962 1.150 20.330 1.00 35.86 O ATOM 2295 NE2 GLN B 113 -3.321 -0.294 19.295 1.00 32.64 N ATOM 2296 HE22 GLN B 113 -3.471 -1.254 18.923 1.00 0.00 H ATOM 2297 HE21 GLN B 113 -4.072 0.420 19.209 1.00 0.00 H ATOM 2298 H GLN B 113 1.974 -2.335 19.542 1.00 0.00 H ATOM 2299 N MET B 114 0.940 -4.830 17.411 1.00 25.14 N ATOM 2300 CA MET B 114 1.110 -5.835 16.360 1.00 24.78 C ATOM 2301 C MET B 114 0.919 -7.219 17.023 1.00 30.70 C ATOM 2302 O MET B 114 1.888 -7.909 17.316 1.00 28.35 O ATOM 2303 CB MET B 114 2.489 -5.660 15.695 1.00 26.20 C ATOM 2304 CG MET B 114 2.631 -4.326 14.953 1.00 26.59 C ATOM 2305 SD MET B 114 4.317 -3.960 14.407 1.00 26.86 S ATOM 2306 CE MET B 114 4.405 -4.980 12.993 1.00 22.26 C ATOM 2307 H MET B 114 1.575 -4.892 18.232 1.00 0.00 H ATOM 2308 N GLU B 115 -0.357 -7.598 17.281 1.00 29.42 N ATOM 2309 CA GLU B 115 -0.754 -8.787 18.040 1.00 32.15 C ATOM 2310 C GLU B 115 -0.167 -10.107 17.540 1.00 36.64 C ATOM 2311 O GLU B 115 0.226 -10.916 18.376 1.00 38.00 O ATOM 2312 CB GLU B 115 -2.293 -8.880 18.178 1.00 34.57 C ATOM 2313 CG GLU B 115 -2.984 -10.009 17.422 1.00 49.57 C ATOM 2314 CD GLU B 115 -4.084 -9.586 16.469 1.00 74.12 C ATOM 2315 OE1 GLU B 115 -4.767 -8.577 16.755 1.00 61.39 O ATOM 2316 OE2 GLU B 115 -4.289 -10.290 15.453 1.00 75.90 O ATOM 2317 H GLU B 115 -1.118 -6.994 16.909 1.00 0.00 H ATOM 2318 N HIS B 116 -0.126 -10.333 16.209 1.00 34.64 N ATOM 2319 CA HIS B 116 0.396 -11.557 15.599 1.00 35.43 C ATOM 2320 C HIS B 116 1.885 -11.658 15.863 1.00 35.46 C ATOM 2321 O HIS B 116 2.343 -12.715 16.274 1.00 35.98 O ATOM 2322 CB HIS B 116 0.074 -11.604 14.084 1.00 36.89 C ATOM 2323 CG HIS B 116 0.047 -12.979 13.483 1.00 42.21 C ATOM 2324 ND1 HIS B 116 0.193 -13.165 12.114 1.00 44.00 N ATOM 2325 CD2 HIS B 116 -0.127 -14.188 14.069 1.00 45.95 C ATOM 2326 CE1 HIS B 116 0.115 -14.472 11.919 1.00 44.62 C ATOM 2327 NE2 HIS B 116 -0.067 -15.130 13.065 1.00 46.10 N ATOM 2328 H HIS B 116 -0.488 -9.590 15.578 1.00 0.00 H ATOM 2329 N VAL B 117 2.628 -10.542 15.713 1.00 28.91 N ATOM 2330 CA VAL B 117 4.072 -10.497 16.005 1.00 27.69 C ATOM 2331 C VAL B 117 4.313 -10.752 17.514 1.00 31.93 C ATOM 2332 O VAL B 117 5.201 -11.543 17.870 1.00 31.07 O ATOM 2333 CB VAL B 117 4.733 -9.177 15.514 1.00 28.99 C ATOM 2334 CG1 VAL B 117 6.163 -9.046 16.040 1.00 28.54 C ATOM 2335 CG2 VAL B 117 4.715 -9.100 13.985 1.00 27.71 C ATOM 2336 H VAL B 117 2.161 -9.676 15.377 1.00 0.00 H ATOM 2337 N VAL B 118 3.530 -10.085 18.386 1.00 28.66 N ATOM 2338 CA VAL B 118 3.644 -10.261 19.849 1.00 29.42 C ATOM 2339 C VAL B 118 3.498 -11.746 20.223 1.00 35.84 C ATOM 2340 O VAL B 118 4.410 -12.308 20.826 1.00 35.35 O ATOM 2341 CB VAL B 118 2.713 -9.330 20.668 1.00 32.51 C ATOM 2342 CG1 VAL B 118 2.790 -9.648 22.165 1.00 33.65 C ATOM 2343 CG2 VAL B 118 3.042 -7.859 20.427 1.00 30.99 C ATOM 2344 H VAL B 118 2.820 -9.422 18.015 1.00 0.00 H ATOM 2345 N ASP B 119 2.401 -12.388 19.776 1.00 33.77 N ATOM 2346 CA ASP B 119 2.132 -13.814 19.977 1.00 35.83 C ATOM 2347 C ASP B 119 3.219 -14.749 19.386 1.00 37.51 C ATOM 2348 O ASP B 119 3.432 -15.816 19.941 1.00 37.55 O ATOM 2349 CB ASP B 119 0.741 -14.178 19.442 1.00 38.62 C ATOM 2350 CG ASP B 119 -0.377 -13.839 20.402 1.00 58.91 C ATOM 2351 OD1 ASP B 119 -0.371 -14.378 21.542 1.00 63.56 O ATOM 2352 OD2 ASP B 119 -1.286 -13.076 20.005 1.00 64.91 O ATOM 2353 H ASP B 119 1.696 -11.832 19.251 1.00 0.00 H ATOM 2354 N THR B 120 3.880 -14.349 18.260 1.00 31.65 N ATOM 2355 CA THR B 120 4.971 -15.075 17.603 1.00 32.29 C ATOM 2356 C THR B 120 6.244 -14.956 18.441 1.00 38.18 C ATOM 2357 O THR B 120 6.992 -15.923 18.547 1.00 39.70 O ATOM 2358 CB THR B 120 5.179 -14.554 16.152 1.00 35.72 C ATOM 2359 OG1 THR B 120 4.040 -14.906 15.380 1.00 38.14 O ATOM 2360 CG2 THR B 120 6.429 -15.128 15.491 1.00 34.95 C ATOM 2361 HG1 THR B 120 3.233 -14.491 15.776 1.00 0.00 H ATOM 2362 H THR B 120 3.583 -13.450 17.830 1.00 0.00 H ATOM 2363 N CYS B 121 6.487 -13.768 19.023 1.00 36.29 N ATOM 2364 CA CYS B 121 7.620 -13.500 19.912 1.00 37.39 C ATOM 2365 C CYS B 121 7.475 -14.424 21.149 1.00 42.42 C ATOM 2366 O CYS B 121 8.474 -14.919 21.659 1.00 42.83 O ATOM 2367 CB CYS B 121 7.653 -12.029 20.321 1.00 37.25 C ATOM 2368 SG CYS B 121 8.232 -10.896 19.028 1.00 39.75 S ATOM 2369 H CYS B 121 5.827 -12.988 18.829 1.00 0.00 H ATOM 2370 N ARG B 122 6.218 -14.689 21.567 1.00 39.67 N ATOM 2371 CA ARG B 122 5.853 -15.556 22.698 1.00 41.77 C ATOM 2372 C ARG B 122 6.096 -17.035 22.370 1.00 48.14 C ATOM 2373 O ARG B 122 6.627 -17.767 23.209 1.00 49.77 O ATOM 2374 CB ARG B 122 4.392 -15.326 23.104 1.00 40.36 C ATOM 2375 CG ARG B 122 4.174 -14.012 23.844 1.00 47.54 C ATOM 2376 CD ARG B 122 2.804 -13.945 24.492 1.00 60.40 C ATOM 2377 NE ARG B 122 2.657 -14.912 25.582 1.00 65.03 N ATOM 2378 CZ ARG B 122 1.724 -14.843 26.528 1.00 74.85 C ATOM 2379 NH1 ARG B 122 0.843 -13.847 26.532 1.00 64.25 N ATOM 2380 NH2 ARG B 122 1.664 -15.766 27.476 1.00 51.24 N ATOM 2381 HE ARG B 122 3.327 -15.706 25.619 1.00 0.00 H ATOM 2382 HH12 ARG B 122 0.116 -13.799 27.274 1.00 0.00 H ATOM 2383 HH11 ARG B 122 0.881 -13.116 25.793 1.00 0.00 H ATOM 2384 HH22 ARG B 122 0.933 -15.707 28.213 1.00 0.00 H ATOM 2385 HH21 ARG B 122 2.348 -16.549 27.483 1.00 0.00 H ATOM 2386 H ARG B 122 5.440 -14.240 21.043 1.00 0.00 H ATOM 2387 N LYS B 123 5.703 -17.475 21.157 1.00 44.77 N ATOM 2388 CA LYS B 123 5.932 -18.847 20.684 1.00 46.04 C ATOM 2389 C LYS B 123 7.440 -19.110 20.613 1.00 51.12 C ATOM 2390 O LYS B 123 7.879 -20.212 20.935 1.00 52.51 O ATOM 2391 CB LYS B 123 5.278 -19.091 19.307 1.00 47.15 C ATOM 2392 CG LYS B 123 3.751 -19.175 19.337 1.00 45.93 C ATOM 2393 CD LYS B 123 3.171 -19.062 17.944 1.00 56.39 C ATOM 2394 CE LYS B 123 1.678 -18.870 17.952 1.00 70.08 C ATOM 2395 NZ LYS B 123 1.160 -18.612 16.582 1.00 82.94 N ATOM 2396 HZ1 LYS B 123 1.603 -17.752 16.201 1.00 0.00 H ATOM 2397 HZ2 LYS B 123 1.387 -19.421 15.969 1.00 0.00 H ATOM 2398 HZ3 LYS B 123 0.129 -18.484 16.621 1.00 0.00 H ATOM 2399 H LYS B 123 5.213 -16.810 20.525 1.00 0.00 H ATOM 2400 N PHE B 124 8.228 -18.074 20.239 1.00 45.93 N ATOM 2401 CA PHE B 124 9.693 -18.115 20.141 1.00 45.98 C ATOM 2402 C PHE B 124 10.338 -18.370 21.513 1.00 51.33 C ATOM 2403 O PHE B 124 11.210 -19.240 21.622 1.00 52.45 O ATOM 2404 CB PHE B 124 10.225 -16.815 19.508 1.00 45.67 C ATOM 2405 CG PHE B 124 11.655 -16.889 19.034 1.00 47.64 C ATOM 2406 CD1 PHE B 124 11.958 -17.353 17.759 1.00 49.94 C ATOM 2407 CD2 PHE B 124 12.698 -16.469 19.850 1.00 50.51 C ATOM 2408 CE1 PHE B 124 13.281 -17.417 17.318 1.00 51.18 C ATOM 2409 CE2 PHE B 124 14.024 -16.535 19.407 1.00 53.64 C ATOM 2410 CZ PHE B 124 14.304 -17.009 18.143 1.00 51.03 C ATOM 2411 H PHE B 124 7.758 -17.177 20.002 1.00 0.00 H ATOM 2412 N ILE B 125 9.899 -17.633 22.558 1.00 47.37 N ATOM 2413 CA ILE B 125 10.393 -17.816 23.938 1.00 48.25 C ATOM 2414 C ILE B 125 10.039 -19.230 24.455 1.00 53.57 C ATOM 2415 O ILE B 125 10.888 -19.905 25.045 1.00 54.98 O ATOM 2416 CB ILE B 125 9.920 -16.647 24.854 1.00 50.54 C ATOM 2417 CG1 ILE B 125 10.842 -15.434 24.656 1.00 50.47 C ATOM 2418 CG2 ILE B 125 9.838 -17.023 26.352 1.00 51.81 C ATOM 2419 CD1 ILE B 125 10.139 -14.148 24.460 1.00 54.49 C ATOM 2420 H ILE B 125 9.180 -16.903 22.382 1.00 0.00 H ATOM 2421 N LYS B 126 8.815 -19.689 24.148 1.00 48.61 N ATOM 2422 CA LYS B 126 8.266 -20.997 24.495 1.00 49.53 C ATOM 2423 C LYS B 126 9.059 -22.138 23.831 1.00 56.91 C ATOM 2424 O LYS B 126 9.219 -23.191 24.446 1.00 59.39 O ATOM 2425 CB LYS B 126 6.795 -21.039 24.058 1.00 50.27 C ATOM 2426 CG LYS B 126 5.895 -21.969 24.839 1.00 58.68 C ATOM 2427 CD LYS B 126 4.429 -21.636 24.551 1.00 61.85 C ATOM 2428 CE LYS B 126 3.468 -22.745 24.906 1.00 75.11 C ATOM 2429 NZ LYS B 126 3.574 -23.898 23.970 1.00 84.29 N ATOM 2430 HZ1 LYS B 126 3.359 -23.579 23.004 1.00 0.00 H ATOM 2431 HZ2 LYS B 126 4.540 -24.282 24.003 1.00 0.00 H ATOM 2432 HZ3 LYS B 126 2.897 -24.635 24.252 1.00 0.00 H ATOM 2433 H LYS B 126 8.196 -19.049 23.610 1.00 0.00 H ATOM 2434 N ALA B 127 9.567 -21.918 22.592 1.00 53.62 N ATOM 2435 CA ALA B 127 10.330 -22.896 21.802 1.00 55.16 C ATOM 2436 C ALA B 127 11.825 -22.993 22.149 1.00 60.77 C ATOM 2437 O ALA B 127 12.384 -22.076 22.752 1.00 59.04 O ATOM 2438 CB ALA B 127 10.153 -22.621 20.320 1.00 54.33 C ATOM 2439 H ALA B 127 9.404 -20.983 22.167 1.00 0.00 H ATOM 2440 N SER B 128 12.460 -24.120 21.741 1.00 60.22 N ATOM 2441 CA SER B 128 13.871 -24.497 21.948 1.00 86.32 C ATOM 2442 C SER B 128 14.419 -24.328 23.379 1.00129.70 C ATOM 2443 O SER B 128 14.835 -23.243 23.788 1.00 97.39 O ATOM 2444 CB SER B 128 14.786 -23.877 20.892 1.00 87.91 C ATOM 2445 OG SER B 128 14.716 -22.462 20.873 1.00 92.63 O ATOM 2446 HG SER B 128 14.987 -22.107 21.757 1.00 0.00 H ATOM 2447 H SER B 128 11.879 -24.804 21.216 1.00 0.00 H TER 2448 SER B 128 HETATM 2449 O HOH 1 -16.233 5.875 -7.478 1.00 29.05 O HETATM 2450 O HOH 2 6.486 16.824 -8.916 1.00 35.16 O HETATM 2451 O HOH 3 -2.266 13.780 -5.387 1.00 41.72 O HETATM 2452 O HOH 4 -7.738 10.691 1.120 1.00 40.77 O HETATM 2453 O HOH 5 8.311 6.916 -16.112 1.00 35.05 O HETATM 2454 O HOH 6 -10.929 -5.234 2.631 1.00 40.19 O HETATM 2455 O HOH 7 -4.339 -13.586 5.692 1.00 47.88 O HETATM 2456 O HOH 8 0.000 1.721 0.000 1.00 38.91 O HETATM 2457 O HOH 9 -17.969 1.394 -12.789 1.00 48.64 O HETATM 2458 O HOH 10 6.303 -6.843 -15.344 1.00 45.23 O HETATM 2459 O HOH 11 -12.239 -8.143 -10.100 1.00 21.19 O HETATM 2460 O HOH 12 -1.098 -6.316 -11.396 1.00 29.10 O HETATM 2461 O HOH 13 -0.482 -13.314 2.448 1.00 30.85 O HETATM 2462 O HOH 14 2.545 -13.027 3.278 1.00 35.43 O HETATM 2463 O HOH 15 -0.370 6.703 -2.540 1.00 36.08 O HETATM 2464 O HOH 16 -0.437 1.335 -22.002 1.00 32.78 O HETATM 2465 O HOH 17 -7.294 11.196 -21.272 1.00 50.80 O HETATM 2466 O HOH 18 2.068 -6.533 -9.023 1.00 41.36 O HETATM 2467 O HOH 19 -8.205 -7.356 -0.138 1.00 24.87 O HETATM 2468 O HOH 20 -17.304 -0.858 -7.466 1.00 32.59 O HETATM 2469 O HOH 21 4.819 -2.549 -18.628 1.00 38.11 O HETATM 2470 O HOH 22 -6.816 13.608 -3.439 1.00 34.09 O HETATM 2471 O HOH 23 0.275 -12.286 -9.509 1.00 38.07 O HETATM 2472 O HOH 24 3.035 7.760 -18.706 1.00 43.51 O HETATM 2473 O HOH 25 -11.820 6.896 -19.835 1.00 40.21 O HETATM 2474 O HOH 26 -6.485 -9.310 0.583 1.00 28.60 O HETATM 2475 O HOH 27 -12.374 3.105 -5.731 1.00 26.35 O HETATM 2476 O HOH 28 2.342 4.900 -18.746 1.00 55.83 O HETATM 2477 O HOH 29 -5.106 -10.987 -1.080 1.00 28.35 O HETATM 2478 O HOH 30 -0.527 -9.466 9.096 1.00 53.75 O HETATM 2479 O HOH 31 -7.574 11.059 3.816 1.00 23.05 O HETATM 2480 O HOH 32 -19.112 11.364 -12.497 1.00 30.19 O HETATM 2481 O HOH 33 -12.254 9.863 -19.567 1.00 43.01 O HETATM 2482 O HOH 34 4.189 -17.934 10.681 1.00 44.22 O HETATM 2483 O HOH 35 -21.789 -14.062 -19.044 1.00 46.57 O HETATM 2484 O HOH 36 14.024 -7.461 5.101 1.00 52.73 O HETATM 2485 O HOH 37 -22.954 -9.627 -22.831 1.00 50.43 O HETATM 2486 O HOH 38 -0.779 -6.403 -23.554 1.00 40.18 O HETATM 2487 O HOH 39 5.686 -6.019 -20.552 1.00 40.43 O HETATM 2488 O HOH 40 16.233 5.875 7.478 1.00 29.05 O HETATM 2489 O HOH 41 -6.486 16.824 8.916 1.00 35.16 O HETATM 2490 O HOH 42 2.266 13.780 5.387 1.00 41.72 O HETATM 2491 O HOH 43 7.738 10.691 -1.120 1.00 40.77 O HETATM 2492 O HOH 44 -8.311 6.916 16.112 1.00 35.05 O HETATM 2493 O HOH 45 10.929 -5.234 -2.631 1.00 40.19 O HETATM 2494 O HOH 46 4.339 -13.586 -5.692 1.00 47.88 O HETATM 2495 O HOH 47 0.000 1.721 0.000 1.00 38.91 O HETATM 2496 O HOH 48 17.969 1.394 12.789 1.00 48.64 O HETATM 2497 O HOH 49 -6.303 -6.843 15.344 1.00 45.23 O HETATM 2498 O HOH 50 12.239 -8.143 10.100 1.00 21.19 O HETATM 2499 O HOH 51 1.098 -6.316 11.396 1.00 29.10 O HETATM 2500 O HOH 52 0.482 -13.314 -2.448 1.00 30.85 O HETATM 2501 O HOH 53 -2.545 -13.027 -3.278 1.00 35.43 O HETATM 2502 O HOH 54 0.370 6.703 2.540 1.00 36.08 O HETATM 2503 O HOH 55 0.437 1.335 22.002 1.00 32.78 O HETATM 2504 O HOH 56 7.294 11.196 21.272 1.00 50.80 O HETATM 2505 O HOH 57 -2.068 -6.533 9.023 1.00 41.36 O HETATM 2506 O HOH 58 8.205 -7.356 0.138 1.00 24.87 O HETATM 2507 O HOH 59 17.304 -0.858 7.466 1.00 32.59 O HETATM 2508 O HOH 60 -4.819 -2.549 18.628 1.00 38.11 O HETATM 2509 O HOH 61 6.816 13.608 3.439 1.00 34.09 O HETATM 2510 O HOH 62 -0.275 -12.286 9.509 1.00 38.07 O HETATM 2511 O HOH 63 -3.035 7.760 18.706 1.00 43.51 O HETATM 2512 O HOH 64 11.820 6.896 19.835 1.00 40.21 O HETATM 2513 O HOH 65 6.485 -9.310 -0.583 1.00 28.60 O HETATM 2514 O HOH 66 12.374 3.105 5.731 1.00 26.35 O HETATM 2515 O HOH 67 -2.342 4.900 18.746 1.00 55.83 O HETATM 2516 O HOH 68 5.106 -10.987 1.080 1.00 28.35 O HETATM 2517 O HOH 69 0.527 -9.466 -9.096 1.00 53.75 O HETATM 2518 O HOH 70 7.574 11.059 -3.816 1.00 23.05 O HETATM 2519 O HOH 71 19.112 11.364 12.497 1.00 30.19 O HETATM 2520 O HOH 72 12.254 9.863 19.567 1.00 43.01 O HETATM 2521 O HOH 73 -4.189 -17.934 -10.681 1.00 44.22 O HETATM 2522 O HOH 74 21.789 -14.062 19.044 1.00 46.57 O HETATM 2523 O HOH 75 -14.024 -7.461 -5.101 1.00 52.73 O HETATM 2524 O HOH 76 22.954 -9.627 22.831 1.00 50.43 O HETATM 2525 O HOH 77 0.779 -6.403 23.554 1.00 40.18 O HETATM 2526 O HOH 78 -5.686 -6.019 20.552 1.00 40.43 O HETATM 2527 C1 UNN A 79 4.639 -2.496 -11.956 1.00 0.04 C HETATM 2528 C2 UNN A 79 5.229 -2.098 -13.160 1.00 -0.03 C HETATM 2529 C3 UNN A 79 4.986 -2.821 -14.321 1.00 0.10 C HETATM 2530 O1 UNN A 79 5.499 -2.505 -15.561 1.00 -0.32 O HETATM 2531 C9 UNN A 79 6.529 -1.499 -15.650 1.00 0.08 C HETATM 2532 C10 UNN A 79 7.887 -2.079 -15.418 1.00 -0.07 C HETATM 2533 C11 UNN A 79 8.975 -1.430 -15.020 1.00 -0.07 C HETATM 2534 C12 UNN A 79 10.345 -2.023 -14.921 1.00 0.07 C HETATM 2535 O2 UNN A 79 10.926 -1.941 -13.588 1.00 -0.37 O HETATM 2536 C13 UNN A 79 11.001 -3.164 -12.837 1.00 0.08 C HETATM 2537 C14 UNN A 79 11.955 -3.036 -11.656 1.00 0.00 C HETATM 2538 C15 UNN A 79 11.140 -2.255 -10.608 1.00 0.07 C HETATM 2539 C24 UNN A 79 11.531 -0.785 -10.534 1.00 0.07 C HETATM 2540 O3 UNN A 79 11.266 -0.224 -9.254 1.00 -0.39 O HETATM 2541 H21 UNN A 79 10.338 -0.293 -9.065 1.00 0.21 H HETATM 2542 H18 UNN A 79 10.959 -0.228 -11.291 1.00 0.06 H HETATM 2543 H19 UNN A 79 12.607 -0.693 -10.746 1.00 0.06 H HETATM 2544 N1 UNN A 79 9.745 -2.571 -10.989 1.00 -0.28 N HETATM 2545 C16 UNN A 79 9.665 -3.440 -12.164 1.00 0.06 C HETATM 2546 H15 UNN A 79 9.571 -4.497 -11.876 1.00 0.06 H HETATM 2547 H16 UNN A 79 8.822 -3.161 -12.814 1.00 0.06 H HETATM 2548 C17 UNN A 79 8.638 -2.031 -10.359 1.00 0.10 C HETATM 2549 C18 UNN A 79 7.350 -2.372 -10.772 1.00 0.05 C HETATM 2550 C19 UNN A 79 6.251 -1.748 -10.199 1.00 0.24 C HETATM 2551 N6 UNN A 79 4.977 -1.885 -10.731 1.00 -0.23 N HETATM 2552 H2 UNN A 79 4.199 -1.502 -10.175 1.00 0.22 H HETATM 2553 N2 UNN A 79 6.477 -0.899 -9.157 1.00 -0.10 N HETATM 2554 C20 UNN A 79 7.777 -0.619 -8.776 1.00 0.18 C HETATM 2555 C21 UNN A 79 7.711 0.293 -7.727 1.00 0.11 C HETATM 2556 C22 UNN A 79 6.338 0.510 -7.533 1.00 0.01 C HETATM 2557 N4 UNN A 79 5.568 -0.158 -8.421 1.00 -0.20 N HETATM 2558 H17 UNN A 79 5.935 1.150 -6.749 1.00 0.07 H HETATM 2559 C23 UNN A 79 8.807 0.885 -7.034 1.00 0.04 C HETATM 2560 N5 UNN A 79 9.687 1.347 -6.474 1.00 -0.38 N HETATM 2561 N3 UNN A 79 8.851 -1.220 -9.304 1.00 -0.27 N HETATM 2562 H20 UNN A 79 7.207 -3.127 -11.543 1.00 0.04 H HETATM 2563 H14 UNN A 79 11.330 -2.677 -9.610 1.00 0.06 H HETATM 2564 H12 UNN A 79 12.860 -2.480 -11.942 1.00 0.03 H HETATM 2565 H13 UNN A 79 12.239 -4.027 -11.272 1.00 0.03 H HETATM 2566 H11 UNN A 79 11.297 -3.990 -13.500 1.00 0.06 H HETATM 2567 H9 UNN A 79 11.005 -1.489 -15.620 1.00 0.07 H HETATM 2568 H10 UNN A 79 10.286 -3.083 -15.209 1.00 0.07 H HETATM 2569 H8 UNN A 79 8.861 -0.383 -14.744 1.00 0.05 H HETATM 2570 H7 UNN A 79 7.996 -3.148 -15.594 1.00 0.05 H HETATM 2571 H5 UNN A 79 6.500 -1.047 -16.652 1.00 0.07 H HETATM 2572 H6 UNN A 79 6.338 -0.724 -14.893 1.00 0.07 H HETATM 2573 C4 UNN A 79 4.075 -3.896 -14.314 1.00 0.09 C HETATM 2574 N UNN A 79 3.759 -4.550 -15.501 1.00 -0.25 N HETATM 2575 C8 UNN A 79 2.814 -5.510 -15.647 1.00 0.20 C HETATM 2576 C7 UNN A 79 1.995 -5.844 -14.426 1.00 0.05 C HETATM 2577 C6 UNN A 79 2.573 -5.482 -13.078 1.00 -0.01 C HETATM 2578 C5 UNN A 79 3.474 -4.272 -13.107 1.00 -0.03 C HETATM 2579 C UNN A 79 3.792 -3.600 -11.932 1.00 -0.06 C HETATM 2580 H25 UNN A 79 3.377 -3.939 -10.990 1.00 0.04 H HETATM 2581 H23 UNN A 79 3.155 -6.339 -12.709 1.00 0.04 H HETATM 2582 H24 UNN A 79 1.741 -5.279 -12.387 1.00 0.04 H HETATM 2583 H3 UNN A 79 1.825 -6.931 -14.430 1.00 0.05 H HETATM 2584 H4 UNN A 79 1.032 -5.322 -14.522 1.00 0.05 H HETATM 2585 O UNN A 79 2.571 -6.011 -16.735 1.00 -0.39 O HETATM 2586 H22 UNN A 79 4.274 -4.289 -16.317 1.00 0.22 H HETATM 2587 H1 UNN A 79 5.874 -1.227 -13.187 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1225 1226 1233 1234 1235 CONECT 1233 1225 CONECT 1234 1225 CONECT 1235 1225 CONECT 2527 2528 2551 2579 CONECT 2528 2527 2529 2587 CONECT 2529 2528 2530 2573 CONECT 2530 2529 2531 CONECT 2531 2530 2532 2571 2572 CONECT 2532 2531 2533 2570 CONECT 2533 2532 2534 2569 CONECT 2534 2533 2535 2567 2568 CONECT 2535 2534 2536 CONECT 2536 2535 2537 2545 2566 CONECT 2537 2536 2538 2564 2565 CONECT 2538 2537 2539 2544 2563 CONECT 2539 2538 2540 2542 2543 CONECT 2540 2539 2541 CONECT 2541 2540 CONECT 2542 2539 CONECT 2543 2539 CONECT 2544 2538 2545 2548 CONECT 2545 2536 2544 2546 2547 CONECT 2546 2545 CONECT 2547 2545 CONECT 2548 2544 2549 2561 CONECT 2549 2548 2550 2562 CONECT 2550 2549 2551 2553 CONECT 2551 2527 2550 2552 CONECT 2552 2551 CONECT 2553 2550 2554 2557 CONECT 2554 2553 2555 2561 CONECT 2555 2554 2556 2559 CONECT 2556 2555 2557 2558 CONECT 2557 2553 2556 CONECT 2558 2556 CONECT 2559 2555 2560 CONECT 2560 2559 CONECT 2561 2548 2554 CONECT 2562 2549 CONECT 2563 2538 CONECT 2564 2537 CONECT 2565 2537 CONECT 2566 2536 CONECT 2567 2534 CONECT 2568 2534 CONECT 2569 2533 CONECT 2570 2532 CONECT 2571 2531 CONECT 2572 2531 CONECT 2573 2529 2574 2578 CONECT 2574 2573 2575 2586 CONECT 2575 2574 2576 2585 CONECT 2576 2575 2577 2583 2584 CONECT 2577 2576 2578 2581 2582 CONECT 2578 2573 2577 2579 CONECT 2579 2527 2578 2580 CONECT 2580 2579 CONECT 2581 2577 CONECT 2582 2577 CONECT 2583 2576 CONECT 2584 2576 CONECT 2585 2575 CONECT 2586 2574 CONECT 2587 2528 MASTER 0 0 0 0 0 0 0 0 2585 2 69 20 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5n1z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3lbz
RCSB PDB
PDBbind
127aa, >3LBZ_1|Chains... at 96%
5h7h
RCSB PDB
PDBbind
141aa, >5H7H_1|Chain... at 100%
5mw2
RCSB PDB
PDBbind
126aa, >5MW2_1|Chain... at 96%
5mw6
RCSB PDB
PDBbind
126aa, >5MW6_1|Chains... at 96%
5mwd
RCSB PDB
PDBbind
126aa, >5MWD_1|Chain... at 96%
5n1x
RCSB PDB
PDBbind
118aa, >5N1X_3|Chain... at 96%
5n20
RCSB PDB
PDBbind
123aa, >5N20_1|Chain... at 97%
5n21
RCSB PDB
PDBbind
122aa, >5N21_1|Chains... at 97%
5x4m
RCSB PDB
PDBbind
141aa, >5X4M_1|Chain... at 100%
5x4n
RCSB PDB
PDBbind
141aa, >5X4N_1|Chain... at 100%
5x4o
RCSB PDB
PDBbind
141aa, >5X4O_1|Chain... at 100%
5x4p
RCSB PDB
PDBbind
141aa, >5X4P_1|Chain... at 100%
5x4q
RCSB PDB
PDBbind
141aa, >5X4Q_1|Chain... at 100%
5x9o
RCSB PDB
PDBbind
141aa, >5X9O_1|Chain... at 100%
5x9p
RCSB PDB
PDBbind
141aa, >5X9P_1|Chain... at 100%
6ew6
RCSB PDB
PDBbind
123aa, >6EW6_1|Chain... at 96%
6ew7
RCSB PDB
PDBbind
122aa, >6EW7_1|Chains... at 97%
6cq1
RCSB PDB
PDBbind
131aa, >6CQ1_1|Chains... at 92%
6c3n
RCSB PDB
PDBbind
131aa, >6C3N_1|Chains... at 92%
6c3l
RCSB PDB
PDBbind
131aa, >6C3L_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5n1v
RCSB PDB
PDBbind
8GQ
Entry Information
PDB ID
5n1z
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
8GQ
EC.Number
E.C.-.-.-.-
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Kd=0.0065uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4386-4402
Ligand Properties
Formula
C
2
5
H
2
5
N
7
O
4
Molecular Weight
487.511
Exact Mass
487.197
No. of atoms
61
No. of bonds
66
Polar Surface Area
137.04
LOGP Value
1.15 (
Computed with XLOGP3
)
2.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 6
Canonical SMILES
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc(OC/C=C/CO2)c2c(c3)CCC(=O)N2)n2c(n1)c(C#N)cn2
InChI String
InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com