USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 CYS SG : rot 63:sc= -0.219 USER MOD Set 1.2: A 89 HIS : +bothHN:sc= 0.738 K(o=0.52,f=-5.4!) USER MOD Set 2.1: A 29 TYR OH : rot 80:sc= 0.65 USER MOD Set 2.2: A 97 THR OG1 : rot -129:sc= 0.659 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0623 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc=0.000553 (180deg=0.000202) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0151) USER MOD Single : A 28 GLN : amide:sc= -0.864 X(o=-0.86,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.568 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.524 K(o=0.52,f=-0.027) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc=-0.00165 K(o=-0.0016,f=-0.78) USER MOD Single : A 67 SER OG : rot -45:sc= -2.02! USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 130:sc= 0.00869 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 80 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.1!) USER MOD Single : A 81 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.695 USER MOD Single : A 87 CYS SG : rot -55:sc= 0.942 USER MOD Single : A 90 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.017) USER MOD Single : A 95 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00754) USER MOD Single : A 98 LYS NZ :NH3+ 148:sc= -0.0187 (180deg=-0.431) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 8.828 5.198 -7.560 1.00 12.32 N ATOM 64 CA VAL A 7 8.291 5.873 -8.735 1.00 30.03 C ATOM 65 C VAL A 7 9.004 7.198 -8.981 1.00 35.11 C ATOM 66 O VAL A 7 9.464 7.472 -10.089 1.00 24.12 O ATOM 67 CB VAL A 7 6.779 6.135 -8.591 1.00 1.04 C ATOM 68 CG1 VAL A 7 6.191 6.606 -9.912 1.00 33.40 C ATOM 69 CG2 VAL A 7 6.068 4.885 -8.097 1.00 54.42 C ATOM 0 HA VAL A 7 8.458 5.210 -9.584 1.00 30.03 H new ATOM 0 HB VAL A 7 6.632 6.924 -7.854 1.00 1.04 H new ATOM 0 HG11 VAL A 7 5.123 6.786 -9.791 1.00 33.40 H new ATOM 0 HG12 VAL A 7 6.682 7.529 -10.220 1.00 33.40 H new ATOM 0 HG13 VAL A 7 6.346 5.841 -10.673 1.00 33.40 H new ATOM 0 HG21 VAL A 7 5.001 5.087 -8.001 1.00 54.42 H new ATOM 0 HG22 VAL A 7 6.221 4.074 -8.809 1.00 54.42 H new ATOM 0 HG23 VAL A 7 6.472 4.596 -7.126 1.00 54.42 H new ATOM 79 N LEU A 8 9.091 8.018 -7.940 1.00 74.14 N ATOM 80 CA LEU A 8 9.749 9.317 -8.040 1.00 14.25 C ATOM 81 C LEU A 8 11.025 9.347 -7.207 1.00 42.50 C ATOM 82 O LEU A 8 11.074 8.796 -6.107 1.00 52.53 O ATOM 83 CB LEU A 8 8.801 10.427 -7.585 1.00 64.33 C ATOM 84 CG LEU A 8 7.351 10.307 -8.052 1.00 50.44 C ATOM 85 CD1 LEU A 8 6.555 11.537 -7.646 1.00 74.24 C ATOM 86 CD2 LEU A 8 7.291 10.104 -9.559 1.00 43.15 C ATOM 0 H LEU A 8 8.714 7.807 -7.016 1.00 74.14 H new ATOM 0 HA LEU A 8 10.016 9.482 -9.084 1.00 14.25 H new ATOM 0 HB2 LEU A 8 8.809 10.459 -6.496 1.00 64.33 H new ATOM 0 HB3 LEU A 8 9.196 11.381 -7.935 1.00 64.33 H new ATOM 0 HG LEU A 8 6.906 9.437 -7.570 1.00 50.44 H new ATOM 0 HD11 LEU A 8 5.525 11.433 -7.987 1.00 74.24 H new ATOM 0 HD12 LEU A 8 6.569 11.638 -6.561 1.00 74.24 H new ATOM 0 HD13 LEU A 8 6.999 12.424 -8.098 1.00 74.24 H new ATOM 0 HD21 LEU A 8 6.251 10.021 -9.874 1.00 43.15 H new ATOM 0 HD22 LEU A 8 7.754 10.954 -10.059 1.00 43.15 H new ATOM 0 HD23 LEU A 8 7.825 9.192 -9.825 1.00 43.15 H new ATOM 98 N SER A 9 12.057 9.997 -7.736 1.00 2.22 N ATOM 99 CA SER A 9 13.335 10.097 -7.041 1.00 32.44 C ATOM 100 C SER A 9 13.319 11.247 -6.038 1.00 13.05 C ATOM 101 O SER A 9 12.321 11.954 -5.904 1.00 31.30 O ATOM 102 CB SER A 9 14.471 10.299 -8.046 1.00 44.20 C ATOM 103 OG SER A 9 14.815 11.669 -8.160 1.00 45.52 O ATOM 0 H SER A 9 12.033 10.462 -8.643 1.00 2.22 H new ATOM 0 HA SER A 9 13.500 9.166 -6.498 1.00 32.44 H new ATOM 0 HB2 SER A 9 15.344 9.727 -7.732 1.00 44.20 H new ATOM 0 HB3 SER A 9 14.171 9.914 -9.021 1.00 44.20 H new ATOM 0 HG SER A 9 15.544 11.770 -8.807 1.00 45.52 H new ATOM 109 N GLY A 10 14.433 11.426 -5.336 1.00 73.42 N ATOM 110 CA GLY A 10 14.527 12.491 -4.354 1.00 51.42 C ATOM 111 C GLY A 10 14.201 13.851 -4.938 1.00 11.05 C ATOM 112 O GLY A 10 13.484 14.642 -4.328 1.00 43.30 O ATOM 0 H GLY A 10 15.272 10.853 -5.429 1.00 73.42 H new ATOM 0 HA2 GLY A 10 13.846 12.281 -3.529 1.00 51.42 H new ATOM 0 HA3 GLY A 10 15.535 12.510 -3.939 1.00 51.42 H new ATOM 116 N GLY A 11 14.731 14.123 -6.128 1.00 33.40 N ATOM 117 CA GLY A 11 14.482 15.399 -6.775 1.00 42.41 C ATOM 118 C GLY A 11 13.070 15.510 -7.314 1.00 51.54 C ATOM 119 O GLY A 11 12.404 16.526 -7.122 1.00 74.32 O ATOM 0 H GLY A 11 15.327 13.484 -6.654 1.00 33.40 H new ATOM 0 HA2 GLY A 11 14.660 16.205 -6.063 1.00 42.41 H new ATOM 0 HA3 GLY A 11 15.191 15.533 -7.592 1.00 42.41 H new ATOM 123 N GLU A 12 12.612 14.462 -7.992 1.00 2.44 N ATOM 124 CA GLU A 12 11.270 14.448 -8.563 1.00 64.12 C ATOM 125 C GLU A 12 10.213 14.554 -7.469 1.00 41.45 C ATOM 126 O GLU A 12 9.201 15.236 -7.630 1.00 73.44 O ATOM 127 CB GLU A 12 11.052 13.172 -9.378 1.00 53.10 C ATOM 128 CG GLU A 12 12.211 12.832 -10.300 1.00 33.41 C ATOM 129 CD GLU A 12 11.932 11.620 -11.167 1.00 55.03 C ATOM 130 OE1 GLU A 12 11.970 10.490 -10.636 1.00 11.11 O ATOM 131 OE2 GLU A 12 11.673 11.801 -12.375 1.00 43.42 O ATOM 0 H GLU A 12 13.150 13.612 -8.159 1.00 2.44 H new ATOM 0 HA GLU A 12 11.173 15.311 -9.222 1.00 64.12 H new ATOM 0 HB2 GLU A 12 10.886 12.339 -8.695 1.00 53.10 H new ATOM 0 HB3 GLU A 12 10.146 13.282 -9.973 1.00 53.10 H new ATOM 0 HG2 GLU A 12 12.426 13.689 -10.939 1.00 33.41 H new ATOM 0 HG3 GLU A 12 13.104 12.648 -9.702 1.00 33.41 H new ATOM 138 N LEU A 13 10.454 13.872 -6.354 1.00 54.24 N ATOM 139 CA LEU A 13 9.523 13.887 -5.231 1.00 14.22 C ATOM 140 C LEU A 13 9.146 15.316 -4.855 1.00 70.43 C ATOM 141 O LEU A 13 7.981 15.613 -4.589 1.00 12.33 O ATOM 142 CB LEU A 13 10.136 13.174 -4.025 1.00 51.33 C ATOM 143 CG LEU A 13 9.173 12.829 -2.888 1.00 53.52 C ATOM 144 CD1 LEU A 13 8.091 11.878 -3.376 1.00 42.21 C ATOM 145 CD2 LEU A 13 9.929 12.223 -1.714 1.00 11.40 C ATOM 0 H LEU A 13 11.286 13.302 -6.204 1.00 54.24 H new ATOM 0 HA LEU A 13 8.618 13.361 -5.534 1.00 14.22 H new ATOM 0 HB2 LEU A 13 10.602 12.252 -4.372 1.00 51.33 H new ATOM 0 HB3 LEU A 13 10.931 13.802 -3.623 1.00 51.33 H new ATOM 0 HG LEU A 13 8.695 13.748 -2.550 1.00 53.52 H new ATOM 0 HD11 LEU A 13 7.415 11.643 -2.554 1.00 42.21 H new ATOM 0 HD12 LEU A 13 7.530 12.348 -4.184 1.00 42.21 H new ATOM 0 HD13 LEU A 13 8.551 10.960 -3.741 1.00 42.21 H new ATOM 0 HD21 LEU A 13 9.228 11.984 -0.914 1.00 11.40 H new ATOM 0 HD22 LEU A 13 10.435 11.313 -2.038 1.00 11.40 H new ATOM 0 HD23 LEU A 13 10.666 12.938 -1.348 1.00 11.40 H new ATOM 157 N ASP A 14 10.139 16.198 -4.836 1.00 42.33 N ATOM 158 CA ASP A 14 9.912 17.598 -4.495 1.00 21.35 C ATOM 159 C ASP A 14 8.776 18.182 -5.328 1.00 74.03 C ATOM 160 O ASP A 14 7.829 18.758 -4.791 1.00 43.45 O ATOM 161 CB ASP A 14 11.190 18.411 -4.712 1.00 14.04 C ATOM 162 CG ASP A 14 11.218 19.677 -3.879 1.00 61.12 C ATOM 163 OD1 ASP A 14 10.326 19.842 -3.021 1.00 60.41 O ATOM 164 OD2 ASP A 14 12.132 20.504 -4.086 1.00 55.33 O ATOM 0 H ASP A 14 11.109 15.969 -5.053 1.00 42.33 H new ATOM 0 HA ASP A 14 9.631 17.650 -3.443 1.00 21.35 H new ATOM 0 HB2 ASP A 14 12.055 17.796 -4.463 1.00 14.04 H new ATOM 0 HB3 ASP A 14 11.277 18.671 -5.767 1.00 14.04 H new ATOM 169 N LYS A 15 8.874 18.031 -6.645 1.00 71.23 N ATOM 170 CA LYS A 15 7.855 18.542 -7.553 1.00 31.10 C ATOM 171 C LYS A 15 6.487 17.952 -7.224 1.00 61.13 C ATOM 172 O LYS A 15 5.510 18.682 -7.061 1.00 51.41 O ATOM 173 CB LYS A 15 8.226 18.220 -9.002 1.00 22.34 C ATOM 174 CG LYS A 15 8.833 19.395 -9.750 1.00 12.10 C ATOM 175 CD LYS A 15 9.770 18.930 -10.851 1.00 22.24 C ATOM 176 CE LYS A 15 10.140 20.071 -11.788 1.00 13.12 C ATOM 177 NZ LYS A 15 11.576 20.444 -11.668 1.00 33.14 N ATOM 0 H LYS A 15 9.650 17.558 -7.107 1.00 71.23 H new ATOM 0 HA LYS A 15 7.804 19.624 -7.429 1.00 31.10 H new ATOM 0 HB2 LYS A 15 8.932 17.390 -9.012 1.00 22.34 H new ATOM 0 HB3 LYS A 15 7.334 17.885 -9.531 1.00 22.34 H new ATOM 0 HG2 LYS A 15 8.038 20.004 -10.181 1.00 12.10 H new ATOM 0 HG3 LYS A 15 9.378 20.030 -9.051 1.00 12.10 H new ATOM 0 HD2 LYS A 15 10.675 18.514 -10.408 1.00 22.24 H new ATOM 0 HD3 LYS A 15 9.296 18.130 -11.420 1.00 22.24 H new ATOM 0 HE2 LYS A 15 9.925 19.781 -12.816 1.00 13.12 H new ATOM 0 HE3 LYS A 15 9.520 20.939 -11.566 1.00 13.12 H new ATOM 0 HZ1 LYS A 15 11.788 21.224 -12.322 1.00 33.14 H new ATOM 0 HZ2 LYS A 15 11.776 20.746 -10.693 1.00 33.14 H new ATOM 0 HZ3 LYS A 15 12.169 19.623 -11.905 1.00 33.14 H new ATOM 191 N TRP A 16 6.427 16.630 -7.127 1.00 11.40 N ATOM 192 CA TRP A 16 5.179 15.942 -6.816 1.00 32.31 C ATOM 193 C TRP A 16 4.494 16.575 -5.610 1.00 63.44 C ATOM 194 O TRP A 16 3.355 17.031 -5.701 1.00 53.43 O ATOM 195 CB TRP A 16 5.442 14.459 -6.548 1.00 1.24 C ATOM 196 CG TRP A 16 4.199 13.682 -6.237 1.00 43.03 C ATOM 197 CD1 TRP A 16 3.800 13.231 -5.010 1.00 4.14 C ATOM 198 CD2 TRP A 16 3.194 13.263 -7.167 1.00 64.43 C ATOM 199 NE1 TRP A 16 2.608 12.557 -5.123 1.00 3.23 N ATOM 200 CE2 TRP A 16 2.215 12.564 -6.435 1.00 43.32 C ATOM 201 CE3 TRP A 16 3.026 13.412 -8.546 1.00 64.33 C ATOM 202 CZ2 TRP A 16 1.087 12.014 -7.038 1.00 72.40 C ATOM 203 CZ3 TRP A 16 1.905 12.867 -9.143 1.00 4.03 C ATOM 204 CH2 TRP A 16 0.947 12.176 -8.390 1.00 72.51 C ATOM 0 H TRP A 16 7.228 16.012 -7.259 1.00 11.40 H new ATOM 0 HA TRP A 16 4.518 16.036 -7.677 1.00 32.31 H new ATOM 0 HB2 TRP A 16 5.928 14.020 -7.420 1.00 1.24 H new ATOM 0 HB3 TRP A 16 6.138 14.366 -5.715 1.00 1.24 H new ATOM 0 HD1 TRP A 16 4.342 13.382 -4.088 1.00 4.14 H new ATOM 0 HE1 TRP A 16 2.098 12.122 -4.354 1.00 3.23 H new ATOM 0 HE3 TRP A 16 3.759 13.943 -9.135 1.00 64.33 H new ATOM 0 HZ2 TRP A 16 0.349 11.479 -6.460 1.00 72.40 H new ATOM 0 HZ3 TRP A 16 1.765 12.976 -10.208 1.00 4.03 H new ATOM 0 HH2 TRP A 16 0.081 11.763 -8.886 1.00 72.51 H new ATOM 215 N GLU A 17 5.198 16.601 -4.482 1.00 64.42 N ATOM 216 CA GLU A 17 4.656 17.180 -3.258 1.00 74.33 C ATOM 217 C GLU A 17 4.299 18.650 -3.462 1.00 65.12 C ATOM 218 O GLU A 17 3.478 19.208 -2.734 1.00 34.34 O ATOM 219 CB GLU A 17 5.662 17.041 -2.113 1.00 33.41 C ATOM 220 CG GLU A 17 5.759 15.632 -1.555 1.00 63.12 C ATOM 221 CD GLU A 17 6.325 15.599 -0.148 1.00 34.15 C ATOM 222 OE1 GLU A 17 7.037 16.554 0.226 1.00 54.54 O ATOM 223 OE2 GLU A 17 6.056 14.618 0.576 1.00 72.14 O ATOM 0 H GLU A 17 6.143 16.229 -4.391 1.00 64.42 H new ATOM 0 HA GLU A 17 3.747 16.637 -3.001 1.00 74.33 H new ATOM 0 HB2 GLU A 17 6.646 17.352 -2.465 1.00 33.41 H new ATOM 0 HB3 GLU A 17 5.381 17.722 -1.310 1.00 33.41 H new ATOM 0 HG2 GLU A 17 4.769 15.176 -1.555 1.00 63.12 H new ATOM 0 HG3 GLU A 17 6.388 15.028 -2.210 1.00 63.12 H new ATOM 230 N LYS A 18 4.924 19.271 -4.456 1.00 51.12 N ATOM 231 CA LYS A 18 4.674 20.675 -4.758 1.00 63.32 C ATOM 232 C LYS A 18 3.288 20.863 -5.366 1.00 20.20 C ATOM 233 O LYS A 18 2.390 21.412 -4.728 1.00 14.22 O ATOM 234 CB LYS A 18 5.740 21.210 -5.718 1.00 44.02 C ATOM 235 CG LYS A 18 6.484 22.423 -5.185 1.00 4.25 C ATOM 236 CD LYS A 18 7.919 22.080 -4.820 1.00 14.05 C ATOM 237 CE LYS A 18 8.485 23.059 -3.804 1.00 74.43 C ATOM 238 NZ LYS A 18 8.386 22.534 -2.414 1.00 64.01 N ATOM 0 H LYS A 18 5.608 18.824 -5.067 1.00 51.12 H new ATOM 0 HA LYS A 18 4.721 21.235 -3.824 1.00 63.32 H new ATOM 0 HB2 LYS A 18 6.458 20.417 -5.929 1.00 44.02 H new ATOM 0 HB3 LYS A 18 5.267 21.471 -6.664 1.00 44.02 H new ATOM 0 HG2 LYS A 18 6.477 23.214 -5.935 1.00 4.25 H new ATOM 0 HG3 LYS A 18 5.967 22.812 -4.308 1.00 4.25 H new ATOM 0 HD2 LYS A 18 7.961 21.069 -4.415 1.00 14.05 H new ATOM 0 HD3 LYS A 18 8.536 22.089 -5.718 1.00 14.05 H new ATOM 0 HE2 LYS A 18 9.529 23.265 -4.041 1.00 74.43 H new ATOM 0 HE3 LYS A 18 7.949 24.006 -3.874 1.00 74.43 H new ATOM 0 HZ1 LYS A 18 8.720 23.257 -1.745 1.00 64.01 H new ATOM 0 HZ2 LYS A 18 7.396 22.297 -2.202 1.00 64.01 H new ATOM 0 HZ3 LYS A 18 8.973 21.681 -2.323 1.00 64.01 H new ATOM 252 N ILE A 19 3.121 20.403 -6.602 1.00 44.00 N ATOM 253 CA ILE A 19 1.844 20.518 -7.294 1.00 51.54 C ATOM 254 C ILE A 19 0.681 20.208 -6.357 1.00 21.21 C ATOM 255 O ILE A 19 0.811 19.401 -5.436 1.00 21.43 O ATOM 256 CB ILE A 19 1.775 19.573 -8.509 1.00 62.03 C ATOM 257 CG1 ILE A 19 2.985 19.790 -9.420 1.00 34.32 C ATOM 258 CG2 ILE A 19 0.479 19.793 -9.277 1.00 43.44 C ATOM 259 CD1 ILE A 19 3.669 18.507 -9.832 1.00 11.45 C ATOM 0 H ILE A 19 3.855 19.947 -7.144 1.00 44.00 H new ATOM 0 HA ILE A 19 1.764 21.549 -7.640 1.00 51.54 H new ATOM 0 HB ILE A 19 1.793 18.543 -8.153 1.00 62.03 H new ATOM 0 HG12 ILE A 19 2.665 20.325 -10.314 1.00 34.32 H new ATOM 0 HG13 ILE A 19 3.705 20.428 -8.908 1.00 34.32 H new ATOM 0 HG21 ILE A 19 0.444 19.119 -10.133 1.00 43.44 H new ATOM 0 HG22 ILE A 19 -0.370 19.594 -8.623 1.00 43.44 H new ATOM 0 HG23 ILE A 19 0.434 20.825 -9.626 1.00 43.44 H new ATOM 0 HD11 ILE A 19 4.517 18.738 -10.476 1.00 11.45 H new ATOM 0 HD12 ILE A 19 4.020 17.981 -8.944 1.00 11.45 H new ATOM 0 HD13 ILE A 19 2.964 17.876 -10.373 1.00 11.45 H new ATOM 271 N ARG A 20 -0.454 20.854 -6.599 1.00 75.01 N ATOM 272 CA ARG A 20 -1.641 20.648 -5.778 1.00 61.12 C ATOM 273 C ARG A 20 -2.654 19.762 -6.497 1.00 24.13 C ATOM 274 O ARG A 20 -2.526 19.502 -7.695 1.00 41.02 O ATOM 275 CB ARG A 20 -2.283 21.991 -5.424 1.00 3.43 C ATOM 276 CG ARG A 20 -1.547 22.748 -4.330 1.00 53.15 C ATOM 277 CD ARG A 20 -0.459 23.641 -4.905 1.00 74.13 C ATOM 278 NE ARG A 20 -0.499 24.986 -4.337 1.00 33.32 N ATOM 279 CZ ARG A 20 -0.008 25.296 -3.142 1.00 12.52 C ATOM 280 NH1 ARG A 20 0.559 24.360 -2.393 1.00 15.11 N ATOM 281 NH2 ARG A 20 -0.082 26.542 -2.695 1.00 21.03 N ATOM 0 H ARG A 20 -0.577 21.525 -7.357 1.00 75.01 H new ATOM 0 HA ARG A 20 -1.333 20.147 -4.860 1.00 61.12 H new ATOM 0 HB2 ARG A 20 -2.324 22.612 -6.319 1.00 3.43 H new ATOM 0 HB3 ARG A 20 -3.312 21.820 -5.107 1.00 3.43 H new ATOM 0 HG2 ARG A 20 -2.256 23.354 -3.765 1.00 53.15 H new ATOM 0 HG3 ARG A 20 -1.105 22.039 -3.630 1.00 53.15 H new ATOM 0 HD2 ARG A 20 0.516 23.195 -4.712 1.00 74.13 H new ATOM 0 HD3 ARG A 20 -0.573 23.701 -5.987 1.00 74.13 H new ATOM 0 HE ARG A 20 -0.928 25.729 -4.889 1.00 33.32 H new ATOM 0 HH11 ARG A 20 0.619 23.401 -2.734 1.00 15.11 H new ATOM 0 HH12 ARG A 20 0.936 24.599 -1.476 1.00 15.11 H new ATOM 0 HH21 ARG A 20 -0.517 27.265 -3.269 1.00 21.03 H new ATOM 0 HH22 ARG A 20 0.296 26.778 -1.777 1.00 21.03 H new ATOM 295 N LEU A 21 -3.658 19.302 -5.761 1.00 74.23 N ATOM 296 CA LEU A 21 -4.693 18.445 -6.328 1.00 51.03 C ATOM 297 C LEU A 21 -5.767 19.275 -7.024 1.00 21.21 C ATOM 298 O LEU A 21 -6.232 18.923 -8.108 1.00 2.22 O ATOM 299 CB LEU A 21 -5.328 17.584 -5.233 1.00 63.52 C ATOM 300 CG LEU A 21 -4.387 16.624 -4.506 1.00 44.22 C ATOM 301 CD1 LEU A 21 -4.820 16.446 -3.058 1.00 61.01 C ATOM 302 CD2 LEU A 21 -4.341 15.280 -5.219 1.00 62.13 C ATOM 0 H LEU A 21 -3.778 19.508 -4.769 1.00 74.23 H new ATOM 0 HA LEU A 21 -4.226 17.795 -7.068 1.00 51.03 H new ATOM 0 HB2 LEU A 21 -5.781 18.246 -4.495 1.00 63.52 H new ATOM 0 HB3 LEU A 21 -6.135 17.003 -5.678 1.00 63.52 H new ATOM 0 HG LEU A 21 -3.385 17.052 -4.514 1.00 44.22 H new ATOM 0 HD11 LEU A 21 -4.138 15.759 -2.556 1.00 61.01 H new ATOM 0 HD12 LEU A 21 -4.801 17.411 -2.551 1.00 61.01 H new ATOM 0 HD13 LEU A 21 -5.831 16.040 -3.028 1.00 61.01 H new ATOM 0 HD21 LEU A 21 -3.666 14.609 -4.687 1.00 62.13 H new ATOM 0 HD22 LEU A 21 -5.341 14.846 -5.242 1.00 62.13 H new ATOM 0 HD23 LEU A 21 -3.983 15.421 -6.239 1.00 62.13 H new ATOM 314 N ARG A 22 -6.155 20.379 -6.394 1.00 11.03 N ATOM 315 CA ARG A 22 -7.173 21.260 -6.954 1.00 43.12 C ATOM 316 C ARG A 22 -6.568 22.600 -7.363 1.00 43.34 C ATOM 317 O ARG A 22 -5.487 22.983 -6.914 1.00 3.22 O ATOM 318 CB ARG A 22 -8.296 21.484 -5.941 1.00 55.52 C ATOM 319 CG ARG A 22 -9.482 20.552 -6.130 1.00 33.35 C ATOM 320 CD ARG A 22 -10.694 21.025 -5.342 1.00 41.32 C ATOM 321 NE ARG A 22 -11.142 20.024 -4.376 1.00 71.44 N ATOM 322 CZ ARG A 22 -11.883 18.971 -4.700 1.00 45.34 C ATOM 323 NH1 ARG A 22 -12.255 18.779 -5.958 1.00 73.14 N ATOM 324 NH2 ARG A 22 -12.251 18.105 -3.764 1.00 0.54 N ATOM 0 H ARG A 22 -5.780 20.685 -5.496 1.00 11.03 H new ATOM 0 HA ARG A 22 -7.584 20.780 -7.842 1.00 43.12 H new ATOM 0 HB2 ARG A 22 -7.898 21.352 -4.935 1.00 55.52 H new ATOM 0 HB3 ARG A 22 -8.640 22.516 -6.015 1.00 55.52 H new ATOM 0 HG2 ARG A 22 -9.735 20.494 -7.189 1.00 33.35 H new ATOM 0 HG3 ARG A 22 -9.210 19.546 -5.811 1.00 33.35 H new ATOM 0 HD2 ARG A 22 -10.449 21.949 -4.819 1.00 41.32 H new ATOM 0 HD3 ARG A 22 -11.507 21.254 -6.030 1.00 41.32 H new ATOM 0 HE ARG A 22 -10.871 20.141 -3.400 1.00 71.44 H new ATOM 0 HH11 ARG A 22 -11.972 19.441 -6.680 1.00 73.14 H new ATOM 0 HH12 ARG A 22 -12.824 17.969 -6.204 1.00 73.14 H new ATOM 0 HH21 ARG A 22 -11.965 18.248 -2.796 1.00 0.54 H new ATOM 0 HH22 ARG A 22 -12.820 17.296 -4.013 1.00 0.54 H new ATOM 338 N PRO A 23 -7.279 23.330 -8.235 1.00 45.44 N ATOM 339 CA PRO A 23 -6.831 24.637 -8.722 1.00 35.25 C ATOM 340 C PRO A 23 -6.878 25.708 -7.638 1.00 64.24 C ATOM 341 O PRO A 23 -5.913 26.445 -7.437 1.00 14.32 O ATOM 342 CB PRO A 23 -7.830 24.960 -9.836 1.00 33.40 C ATOM 343 CG PRO A 23 -9.055 24.191 -9.481 1.00 32.32 C ATOM 344 CD PRO A 23 -8.575 22.934 -8.810 1.00 71.33 C ATOM 0 HA PRO A 23 -5.793 24.615 -9.053 1.00 35.25 H new ATOM 0 HB2 PRO A 23 -8.035 26.029 -9.886 1.00 33.40 H new ATOM 0 HB3 PRO A 23 -7.445 24.663 -10.811 1.00 33.40 H new ATOM 0 HG2 PRO A 23 -9.698 24.767 -8.816 1.00 32.32 H new ATOM 0 HG3 PRO A 23 -9.642 23.959 -10.370 1.00 32.32 H new ATOM 0 HD2 PRO A 23 -9.270 22.598 -8.041 1.00 71.33 H new ATOM 0 HD3 PRO A 23 -8.466 22.115 -9.521 1.00 71.33 H new ATOM 352 N GLY A 24 -8.006 25.788 -6.939 1.00 71.50 N ATOM 353 CA GLY A 24 -8.157 26.772 -5.883 1.00 71.22 C ATOM 354 C GLY A 24 -8.180 26.143 -4.504 1.00 63.12 C ATOM 355 O GLY A 24 -9.010 26.493 -3.667 1.00 34.31 O ATOM 0 H GLY A 24 -8.818 25.189 -7.085 1.00 71.50 H new ATOM 0 HA2 GLY A 24 -7.338 27.489 -5.938 1.00 71.22 H new ATOM 0 HA3 GLY A 24 -9.080 27.330 -6.040 1.00 71.22 H new ATOM 359 N GLY A 25 -7.263 25.208 -4.266 1.00 75.43 N ATOM 360 CA GLY A 25 -7.200 24.543 -2.978 1.00 70.54 C ATOM 361 C GLY A 25 -5.928 24.866 -2.221 1.00 62.31 C ATOM 362 O GLY A 25 -5.156 25.735 -2.629 1.00 51.04 O ATOM 0 H GLY A 25 -6.564 24.900 -4.942 1.00 75.43 H new ATOM 0 HA2 GLY A 25 -8.061 24.838 -2.378 1.00 70.54 H new ATOM 0 HA3 GLY A 25 -7.268 23.465 -3.125 1.00 70.54 H new ATOM 366 N LYS A 26 -5.706 24.167 -1.112 1.00 14.25 N ATOM 367 CA LYS A 26 -4.519 24.383 -0.295 1.00 11.32 C ATOM 368 C LYS A 26 -3.823 23.061 0.015 1.00 3.00 C ATOM 369 O LYS A 26 -2.838 23.024 0.752 1.00 13.13 O ATOM 370 CB LYS A 26 -4.894 25.091 1.009 1.00 33.30 C ATOM 371 CG LYS A 26 -5.504 26.467 0.800 1.00 24.13 C ATOM 372 CD LYS A 26 -5.383 27.325 2.047 1.00 60.42 C ATOM 373 CE LYS A 26 -5.438 28.808 1.711 1.00 51.24 C ATOM 374 NZ LYS A 26 -4.134 29.483 1.962 1.00 1.51 N ATOM 0 H LYS A 26 -6.334 23.445 -0.759 1.00 14.25 H new ATOM 0 HA LYS A 26 -3.831 25.013 -0.859 1.00 11.32 H new ATOM 0 HB2 LYS A 26 -5.600 24.470 1.560 1.00 33.30 H new ATOM 0 HB3 LYS A 26 -4.003 25.188 1.629 1.00 33.30 H new ATOM 0 HG2 LYS A 26 -5.008 26.963 -0.034 1.00 24.13 H new ATOM 0 HG3 LYS A 26 -6.555 26.363 0.529 1.00 24.13 H new ATOM 0 HD2 LYS A 26 -6.188 27.078 2.740 1.00 60.42 H new ATOM 0 HD3 LYS A 26 -4.445 27.100 2.555 1.00 60.42 H new ATOM 0 HE2 LYS A 26 -5.716 28.933 0.665 1.00 51.24 H new ATOM 0 HE3 LYS A 26 -6.215 29.287 2.307 1.00 51.24 H new ATOM 0 HZ1 LYS A 26 -4.213 30.492 1.721 1.00 1.51 H new ATOM 0 HZ2 LYS A 26 -3.880 29.386 2.966 1.00 1.51 H new ATOM 0 HZ3 LYS A 26 -3.397 29.043 1.375 1.00 1.51 H new ATOM 388 N LYS A 27 -4.341 21.978 -0.555 1.00 52.14 N ATOM 389 CA LYS A 27 -3.769 20.653 -0.342 1.00 30.41 C ATOM 390 C LYS A 27 -2.822 20.282 -1.479 1.00 43.35 C ATOM 391 O LYS A 27 -3.127 20.504 -2.650 1.00 54.12 O ATOM 392 CB LYS A 27 -4.880 19.608 -0.227 1.00 41.03 C ATOM 393 CG LYS A 27 -4.957 18.951 1.141 1.00 44.14 C ATOM 394 CD LYS A 27 -6.127 19.485 1.951 1.00 2.30 C ATOM 395 CE LYS A 27 -6.471 18.560 3.109 1.00 4.02 C ATOM 396 NZ LYS A 27 -7.218 17.356 2.653 1.00 52.33 N ATOM 0 H LYS A 27 -5.156 21.992 -1.168 1.00 52.14 H new ATOM 0 HA LYS A 27 -3.202 20.674 0.588 1.00 30.41 H new ATOM 0 HB2 LYS A 27 -5.837 20.081 -0.448 1.00 41.03 H new ATOM 0 HB3 LYS A 27 -4.723 18.838 -0.982 1.00 41.03 H new ATOM 0 HG2 LYS A 27 -5.058 17.872 1.022 1.00 44.14 H new ATOM 0 HG3 LYS A 27 -4.028 19.127 1.683 1.00 44.14 H new ATOM 0 HD2 LYS A 27 -5.883 20.476 2.335 1.00 2.30 H new ATOM 0 HD3 LYS A 27 -6.997 19.599 1.304 1.00 2.30 H new ATOM 0 HE2 LYS A 27 -5.554 18.250 3.611 1.00 4.02 H new ATOM 0 HE3 LYS A 27 -7.068 19.102 3.842 1.00 4.02 H new ATOM 0 HZ1 LYS A 27 -7.551 16.820 3.480 1.00 52.33 H new ATOM 0 HZ2 LYS A 27 -8.034 17.650 2.079 1.00 52.33 H new ATOM 0 HZ3 LYS A 27 -6.591 16.755 2.081 1.00 52.33 H new ATOM 410 N GLN A 28 -1.674 19.713 -1.124 1.00 34.52 N ATOM 411 CA GLN A 28 -0.684 19.310 -2.116 1.00 4.23 C ATOM 412 C GLN A 28 -0.754 17.808 -2.375 1.00 31.22 C ATOM 413 O GLN A 28 -1.557 17.100 -1.768 1.00 61.25 O ATOM 414 CB GLN A 28 0.721 19.694 -1.651 1.00 64.55 C ATOM 415 CG GLN A 28 0.759 20.963 -0.814 1.00 45.32 C ATOM 416 CD GLN A 28 0.513 20.698 0.659 1.00 52.21 C ATOM 417 OE1 GLN A 28 -0.513 21.099 1.210 1.00 44.31 O ATOM 418 NE2 GLN A 28 1.454 20.019 1.304 1.00 71.02 N ATOM 0 H GLN A 28 -1.407 19.521 -0.158 1.00 34.52 H new ATOM 0 HA GLN A 28 -0.906 19.832 -3.047 1.00 4.23 H new ATOM 0 HB2 GLN A 28 1.140 18.872 -1.070 1.00 64.55 H new ATOM 0 HB3 GLN A 28 1.361 19.825 -2.524 1.00 64.55 H new ATOM 0 HG2 GLN A 28 1.729 21.445 -0.936 1.00 45.32 H new ATOM 0 HG3 GLN A 28 0.008 21.661 -1.184 1.00 45.32 H new ATOM 0 HE21 GLN A 28 2.288 19.706 0.807 1.00 71.02 H new ATOM 0 HE22 GLN A 28 1.343 19.810 2.296 1.00 71.02 H new ATOM 427 N TYR A 29 0.091 17.330 -3.281 1.00 45.01 N ATOM 428 CA TYR A 29 0.125 15.913 -3.623 1.00 55.34 C ATOM 429 C TYR A 29 0.991 15.134 -2.637 1.00 31.20 C ATOM 430 O TYR A 29 1.978 15.652 -2.116 1.00 70.30 O ATOM 431 CB TYR A 29 0.652 15.721 -5.045 1.00 25.13 C ATOM 432 CG TYR A 29 -0.434 15.468 -6.066 1.00 62.33 C ATOM 433 CD1 TYR A 29 -1.066 14.233 -6.144 1.00 3.41 C ATOM 434 CD2 TYR A 29 -0.827 16.463 -6.953 1.00 44.32 C ATOM 435 CE1 TYR A 29 -2.058 13.996 -7.075 1.00 21.13 C ATOM 436 CE2 TYR A 29 -1.819 16.235 -7.886 1.00 11.24 C ATOM 437 CZ TYR A 29 -2.432 15.000 -7.944 1.00 63.22 C ATOM 438 OH TYR A 29 -3.420 14.770 -8.873 1.00 75.50 O ATOM 0 H TYR A 29 0.762 17.903 -3.792 1.00 45.01 H new ATOM 0 HA TYR A 29 -0.893 15.528 -3.566 1.00 55.34 H new ATOM 0 HB2 TYR A 29 1.214 16.608 -5.338 1.00 25.13 H new ATOM 0 HB3 TYR A 29 1.350 14.884 -5.055 1.00 25.13 H new ATOM 0 HD1 TYR A 29 -0.776 13.445 -5.465 1.00 3.41 H new ATOM 0 HD2 TYR A 29 -0.349 17.430 -6.912 1.00 44.32 H new ATOM 0 HE1 TYR A 29 -2.538 13.030 -7.123 1.00 21.13 H new ATOM 0 HE2 TYR A 29 -2.114 17.020 -8.567 1.00 11.24 H new ATOM 0 HH TYR A 29 -4.297 14.847 -8.443 1.00 75.50 H new ATOM 448 N LYS A 30 0.614 13.885 -2.386 1.00 34.30 N ATOM 449 CA LYS A 30 1.355 13.032 -1.466 1.00 43.24 C ATOM 450 C LYS A 30 1.410 11.596 -1.978 1.00 34.44 C ATOM 451 O LYS A 30 0.698 11.233 -2.917 1.00 60.32 O ATOM 452 CB LYS A 30 0.712 13.064 -0.077 1.00 33.53 C ATOM 453 CG LYS A 30 1.533 13.818 0.955 1.00 52.15 C ATOM 454 CD LYS A 30 1.161 13.407 2.370 1.00 23.11 C ATOM 455 CE LYS A 30 2.328 13.590 3.328 1.00 5.50 C ATOM 456 NZ LYS A 30 2.381 12.508 4.350 1.00 23.24 N ATOM 0 H LYS A 30 -0.202 13.441 -2.808 1.00 34.30 H new ATOM 0 HA LYS A 30 2.373 13.414 -1.398 1.00 43.24 H new ATOM 0 HB2 LYS A 30 -0.273 13.524 -0.152 1.00 33.53 H new ATOM 0 HB3 LYS A 30 0.561 12.041 0.268 1.00 33.53 H new ATOM 0 HG2 LYS A 30 2.593 13.629 0.787 1.00 52.15 H new ATOM 0 HG3 LYS A 30 1.377 14.890 0.833 1.00 52.15 H new ATOM 0 HD2 LYS A 30 0.312 14.000 2.711 1.00 23.11 H new ATOM 0 HD3 LYS A 30 0.844 12.364 2.376 1.00 23.11 H new ATOM 0 HE2 LYS A 30 3.261 13.604 2.765 1.00 5.50 H new ATOM 0 HE3 LYS A 30 2.241 14.556 3.826 1.00 5.50 H new ATOM 0 HZ1 LYS A 30 3.190 12.668 4.984 1.00 23.24 H new ATOM 0 HZ2 LYS A 30 1.501 12.511 4.904 1.00 23.24 H new ATOM 0 HZ3 LYS A 30 2.489 11.588 3.877 1.00 23.24 H new ATOM 470 N LEU A 31 2.256 10.782 -1.357 1.00 74.43 N ATOM 471 CA LEU A 31 2.401 9.385 -1.749 1.00 54.13 C ATOM 472 C LEU A 31 1.045 8.688 -1.796 1.00 21.35 C ATOM 473 O LEU A 31 0.801 7.838 -2.653 1.00 52.42 O ATOM 474 CB LEU A 31 3.328 8.655 -0.776 1.00 45.02 C ATOM 475 CG LEU A 31 4.725 9.254 -0.602 1.00 13.24 C ATOM 476 CD1 LEU A 31 5.282 8.919 0.772 1.00 64.21 C ATOM 477 CD2 LEU A 31 5.658 8.755 -1.696 1.00 42.34 C ATOM 0 H LEU A 31 2.852 11.066 -0.580 1.00 74.43 H new ATOM 0 HA LEU A 31 2.838 9.358 -2.747 1.00 54.13 H new ATOM 0 HB2 LEU A 31 2.844 8.623 0.200 1.00 45.02 H new ATOM 0 HB3 LEU A 31 3.436 7.624 -1.113 1.00 45.02 H new ATOM 0 HG LEU A 31 4.648 10.338 -0.684 1.00 13.24 H new ATOM 0 HD11 LEU A 31 6.276 9.353 0.877 1.00 64.21 H new ATOM 0 HD12 LEU A 31 4.625 9.326 1.540 1.00 64.21 H new ATOM 0 HD13 LEU A 31 5.345 7.837 0.885 1.00 64.21 H new ATOM 0 HD21 LEU A 31 6.647 9.191 -1.557 1.00 42.34 H new ATOM 0 HD22 LEU A 31 5.730 7.669 -1.645 1.00 42.34 H new ATOM 0 HD23 LEU A 31 5.266 9.048 -2.670 1.00 42.34 H new ATOM 489 N LYS A 32 0.164 9.055 -0.871 1.00 71.22 N ATOM 490 CA LYS A 32 -1.169 8.469 -0.808 1.00 72.23 C ATOM 491 C LYS A 32 -1.816 8.438 -2.189 1.00 71.23 C ATOM 492 O LYS A 32 -2.599 7.539 -2.499 1.00 31.32 O ATOM 493 CB LYS A 32 -2.051 9.260 0.163 1.00 2.25 C ATOM 494 CG LYS A 32 -2.827 8.383 1.130 1.00 5.14 C ATOM 495 CD LYS A 32 -2.070 8.184 2.432 1.00 43.12 C ATOM 496 CE LYS A 32 -2.802 7.230 3.363 1.00 1.14 C ATOM 497 NZ LYS A 32 -3.103 7.859 4.678 1.00 34.43 N ATOM 0 H LYS A 32 0.350 9.756 -0.154 1.00 71.22 H new ATOM 0 HA LYS A 32 -1.072 7.444 -0.449 1.00 72.23 H new ATOM 0 HB2 LYS A 32 -1.425 9.948 0.731 1.00 2.25 H new ATOM 0 HB3 LYS A 32 -2.754 9.866 -0.409 1.00 2.25 H new ATOM 0 HG2 LYS A 32 -3.796 8.837 1.337 1.00 5.14 H new ATOM 0 HG3 LYS A 32 -3.021 7.414 0.669 1.00 5.14 H new ATOM 0 HD2 LYS A 32 -1.075 7.794 2.219 1.00 43.12 H new ATOM 0 HD3 LYS A 32 -1.936 9.146 2.927 1.00 43.12 H new ATOM 0 HE2 LYS A 32 -3.731 6.907 2.894 1.00 1.14 H new ATOM 0 HE3 LYS A 32 -2.196 6.337 3.518 1.00 1.14 H new ATOM 0 HZ1 LYS A 32 -3.602 7.176 5.283 1.00 34.43 H new ATOM 0 HZ2 LYS A 32 -2.215 8.145 5.138 1.00 34.43 H new ATOM 0 HZ3 LYS A 32 -3.703 8.696 4.533 1.00 34.43 H new ATOM 511 N HIS A 33 -1.483 9.425 -3.015 1.00 15.13 N ATOM 512 CA HIS A 33 -2.031 9.510 -4.365 1.00 21.34 C ATOM 513 C HIS A 33 -1.307 8.550 -5.306 1.00 41.14 C ATOM 514 O HIS A 33 -1.986 7.972 -6.154 1.00 3.35 O ATOM 515 CB HIS A 33 -1.920 10.940 -4.895 1.00 30.24 C ATOM 516 CG HIS A 33 -2.623 11.951 -4.042 1.00 63.14 C ATOM 517 ND1 HIS A 33 -1.959 12.923 -3.324 1.00 4.40 N ATOM 518 CD2 HIS A 33 -3.941 12.138 -3.795 1.00 41.23 C ATOM 519 CE1 HIS A 33 -2.837 13.663 -2.672 1.00 52.21 C ATOM 520 NE2 HIS A 33 -4.048 13.207 -2.941 1.00 1.00 N ATOM 0 H HIS A 33 -0.837 10.177 -2.774 1.00 15.13 H new ATOM 0 HA HIS A 33 -3.083 9.227 -4.322 1.00 21.34 H new ATOM 0 HB2 HIS A 33 -0.867 11.210 -4.971 1.00 30.24 H new ATOM 0 HB3 HIS A 33 -2.332 10.978 -5.903 1.00 30.24 H new ATOM 0 HD2 HIS A 33 -4.757 11.554 -4.196 1.00 41.23 H new ATOM 0 HE1 HIS A 33 -2.605 14.499 -2.028 1.00 52.21 H new ATOM 0 HE2 HIS A 33 -4.920 13.588 -2.574 1.00 1.00 H new ATOM 528 N ILE A 34 0.004 8.372 -5.181 1.00 15.42 N ATOM 529 CA ILE A 34 0.737 7.464 -6.055 1.00 2.23 C ATOM 530 C ILE A 34 0.508 6.011 -5.655 1.00 5.10 C ATOM 531 O ILE A 34 0.034 5.202 -6.453 1.00 34.44 O ATOM 532 CB ILE A 34 2.248 7.759 -6.032 1.00 23.13 C ATOM 533 CG1 ILE A 34 2.508 9.231 -6.363 1.00 13.55 C ATOM 534 CG2 ILE A 34 2.980 6.853 -7.012 1.00 20.31 C ATOM 535 CD1 ILE A 34 3.950 9.646 -6.179 1.00 41.31 C ATOM 0 H ILE A 34 0.580 8.844 -4.484 1.00 15.42 H new ATOM 0 HA ILE A 34 0.359 7.624 -7.065 1.00 2.23 H new ATOM 0 HB ILE A 34 2.627 7.559 -5.030 1.00 23.13 H new ATOM 0 HG12 ILE A 34 2.213 9.421 -7.395 1.00 13.55 H new ATOM 0 HG13 ILE A 34 1.876 9.854 -5.731 1.00 13.55 H new ATOM 0 HG21 ILE A 34 4.047 7.074 -6.984 1.00 20.31 H new ATOM 0 HG22 ILE A 34 2.818 5.811 -6.735 1.00 20.31 H new ATOM 0 HG23 ILE A 34 2.600 7.024 -8.019 1.00 20.31 H new ATOM 0 HD11 ILE A 34 4.060 10.701 -6.432 1.00 41.31 H new ATOM 0 HD12 ILE A 34 4.244 9.489 -5.141 1.00 41.31 H new ATOM 0 HD13 ILE A 34 4.587 9.048 -6.831 1.00 41.31 H new ATOM 547 N VAL A 35 0.847 5.685 -4.411 1.00 3.12 N ATOM 548 CA VAL A 35 0.676 4.329 -3.903 1.00 42.23 C ATOM 549 C VAL A 35 -0.692 3.770 -4.277 1.00 3.43 C ATOM 550 O VAL A 35 -0.829 2.583 -4.572 1.00 41.54 O ATOM 551 CB VAL A 35 0.839 4.279 -2.372 1.00 13.22 C ATOM 552 CG1 VAL A 35 0.692 2.852 -1.866 1.00 61.55 C ATOM 553 CG2 VAL A 35 2.180 4.865 -1.959 1.00 53.13 C ATOM 0 H VAL A 35 1.241 6.341 -3.737 1.00 3.12 H new ATOM 0 HA VAL A 35 1.452 3.718 -4.364 1.00 42.23 H new ATOM 0 HB VAL A 35 0.051 4.882 -1.920 1.00 13.22 H new ATOM 0 HG11 VAL A 35 0.810 2.836 -0.783 1.00 61.55 H new ATOM 0 HG12 VAL A 35 -0.295 2.473 -2.129 1.00 61.55 H new ATOM 0 HG13 VAL A 35 1.456 2.223 -2.323 1.00 61.55 H new ATOM 0 HG21 VAL A 35 2.278 4.821 -0.874 1.00 53.13 H new ATOM 0 HG22 VAL A 35 2.985 4.292 -2.419 1.00 53.13 H new ATOM 0 HG23 VAL A 35 2.240 5.903 -2.287 1.00 53.13 H new ATOM 563 N TRP A 36 -1.701 4.633 -4.264 1.00 62.04 N ATOM 564 CA TRP A 36 -3.060 4.226 -4.602 1.00 4.14 C ATOM 565 C TRP A 36 -3.145 3.769 -6.055 1.00 51.15 C ATOM 566 O TRP A 36 -3.714 2.719 -6.351 1.00 3.14 O ATOM 567 CB TRP A 36 -4.035 5.379 -4.359 1.00 15.41 C ATOM 568 CG TRP A 36 -5.450 5.045 -4.721 1.00 54.14 C ATOM 569 CD1 TRP A 36 -6.333 4.309 -3.983 1.00 70.11 C ATOM 570 CD2 TRP A 36 -6.146 5.434 -5.911 1.00 42.03 C ATOM 571 NE1 TRP A 36 -7.535 4.217 -4.643 1.00 51.22 N ATOM 572 CE2 TRP A 36 -7.446 4.899 -5.827 1.00 61.03 C ATOM 573 CE3 TRP A 36 -5.797 6.184 -7.037 1.00 1.01 C ATOM 574 CZ2 TRP A 36 -8.395 5.090 -6.827 1.00 23.14 C ATOM 575 CZ3 TRP A 36 -6.740 6.372 -8.029 1.00 10.12 C ATOM 576 CH2 TRP A 36 -8.026 5.828 -7.920 1.00 52.03 C ATOM 0 H TRP A 36 -1.604 5.619 -4.023 1.00 62.04 H new ATOM 0 HA TRP A 36 -3.333 3.388 -3.960 1.00 4.14 H new ATOM 0 HB2 TRP A 36 -3.994 5.665 -3.308 1.00 15.41 H new ATOM 0 HB3 TRP A 36 -3.714 6.245 -4.938 1.00 15.41 H new ATOM 0 HD1 TRP A 36 -6.118 3.865 -3.022 1.00 70.11 H new ATOM 0 HE1 TRP A 36 -8.360 3.721 -4.305 1.00 51.22 H new ATOM 0 HE3 TRP A 36 -4.808 6.609 -7.130 1.00 1.01 H new ATOM 0 HZ2 TRP A 36 -9.387 4.671 -6.744 1.00 23.14 H new ATOM 0 HZ3 TRP A 36 -6.481 6.949 -8.904 1.00 10.12 H new ATOM 0 HH2 TRP A 36 -8.740 5.994 -8.713 1.00 52.03 H new ATOM 587 N ALA A 37 -2.577 4.564 -6.955 1.00 71.11 N ATOM 588 CA ALA A 37 -2.587 4.239 -8.376 1.00 71.52 C ATOM 589 C ALA A 37 -1.704 3.032 -8.669 1.00 42.41 C ATOM 590 O ALA A 37 -2.106 2.116 -9.387 1.00 73.34 O ATOM 591 CB ALA A 37 -2.135 5.439 -9.195 1.00 63.13 C ATOM 0 H ALA A 37 -2.104 5.438 -6.726 1.00 71.11 H new ATOM 0 HA ALA A 37 -3.609 3.985 -8.659 1.00 71.52 H new ATOM 0 HB1 ALA A 37 -2.147 5.182 -10.254 1.00 63.13 H new ATOM 0 HB2 ALA A 37 -2.810 6.276 -9.017 1.00 63.13 H new ATOM 0 HB3 ALA A 37 -1.123 5.720 -8.901 1.00 63.13 H new ATOM 597 N SER A 38 -0.497 3.038 -8.111 1.00 1.13 N ATOM 598 CA SER A 38 0.445 1.945 -8.317 1.00 4.13 C ATOM 599 C SER A 38 -0.168 0.612 -7.899 1.00 33.00 C ATOM 600 O SER A 38 0.158 -0.437 -8.457 1.00 63.22 O ATOM 601 CB SER A 38 1.731 2.196 -7.528 1.00 64.51 C ATOM 602 OG SER A 38 1.802 1.359 -6.386 1.00 32.35 O ATOM 0 H SER A 38 -0.149 3.788 -7.513 1.00 1.13 H new ATOM 0 HA SER A 38 0.682 1.899 -9.380 1.00 4.13 H new ATOM 0 HB2 SER A 38 2.595 2.017 -8.168 1.00 64.51 H new ATOM 0 HB3 SER A 38 1.774 3.241 -7.220 1.00 64.51 H new ATOM 0 HG SER A 38 2.634 1.538 -5.900 1.00 32.35 H new ATOM 608 N ARG A 39 -1.059 0.661 -6.914 1.00 44.33 N ATOM 609 CA ARG A 39 -1.718 -0.541 -6.419 1.00 13.44 C ATOM 610 C ARG A 39 -2.938 -0.882 -7.270 1.00 32.30 C ATOM 611 O ARG A 39 -3.467 -1.991 -7.198 1.00 73.31 O ATOM 612 CB ARG A 39 -2.137 -0.356 -4.960 1.00 5.44 C ATOM 613 CG ARG A 39 -2.033 -1.625 -4.130 1.00 3.53 C ATOM 614 CD ARG A 39 -2.876 -1.536 -2.868 1.00 41.34 C ATOM 615 NE ARG A 39 -4.036 -2.423 -2.921 1.00 31.51 N ATOM 616 CZ ARG A 39 -4.949 -2.495 -1.959 1.00 34.43 C ATOM 617 NH1 ARG A 39 -4.839 -1.738 -0.877 1.00 41.55 N ATOM 618 NH2 ARG A 39 -5.977 -3.326 -2.080 1.00 54.12 N ATOM 0 H ARG A 39 -1.341 1.521 -6.443 1.00 44.33 H new ATOM 0 HA ARG A 39 -1.008 -1.366 -6.484 1.00 13.44 H new ATOM 0 HB2 ARG A 39 -1.515 0.416 -4.507 1.00 5.44 H new ATOM 0 HB3 ARG A 39 -3.165 0.005 -4.929 1.00 5.44 H new ATOM 0 HG2 ARG A 39 -2.357 -2.478 -4.726 1.00 3.53 H new ATOM 0 HG3 ARG A 39 -0.991 -1.801 -3.861 1.00 3.53 H new ATOM 0 HD2 ARG A 39 -2.263 -1.792 -2.004 1.00 41.34 H new ATOM 0 HD3 ARG A 39 -3.211 -0.508 -2.728 1.00 41.34 H new ATOM 0 HE ARG A 39 -4.151 -3.019 -3.741 1.00 31.51 H new ATOM 0 HH11 ARG A 39 -4.051 -1.097 -0.781 1.00 41.55 H new ATOM 0 HH12 ARG A 39 -5.542 -1.796 -0.140 1.00 41.55 H new ATOM 0 HH21 ARG A 39 -6.066 -3.909 -2.912 1.00 54.12 H new ATOM 0 HH22 ARG A 39 -6.678 -3.381 -1.341 1.00 54.12 H new ATOM 632 N GLU A 40 -3.379 0.080 -8.075 1.00 44.22 N ATOM 633 CA GLU A 40 -4.538 -0.118 -8.939 1.00 64.13 C ATOM 634 C GLU A 40 -4.130 -0.780 -10.252 1.00 72.04 C ATOM 635 O GLU A 40 -4.775 -1.724 -10.711 1.00 72.34 O ATOM 636 CB GLU A 40 -5.226 1.219 -9.220 1.00 14.11 C ATOM 637 CG GLU A 40 -6.703 1.085 -9.554 1.00 3.44 C ATOM 638 CD GLU A 40 -7.578 1.026 -8.318 1.00 31.42 C ATOM 639 OE1 GLU A 40 -7.349 0.138 -7.470 1.00 23.13 O ATOM 640 OE2 GLU A 40 -8.493 1.867 -8.198 1.00 1.02 O ATOM 0 H GLU A 40 -2.952 1.003 -8.147 1.00 44.22 H new ATOM 0 HA GLU A 40 -5.237 -0.776 -8.423 1.00 64.13 H new ATOM 0 HB2 GLU A 40 -5.116 1.865 -8.349 1.00 14.11 H new ATOM 0 HB3 GLU A 40 -4.718 1.712 -10.049 1.00 14.11 H new ATOM 0 HG2 GLU A 40 -7.010 1.929 -10.172 1.00 3.44 H new ATOM 0 HG3 GLU A 40 -6.857 0.183 -10.147 1.00 3.44 H new ATOM 647 N LEU A 41 -3.058 -0.277 -10.853 1.00 40.44 N ATOM 648 CA LEU A 41 -2.563 -0.818 -12.114 1.00 33.24 C ATOM 649 C LEU A 41 -2.347 -2.324 -12.014 1.00 13.53 C ATOM 650 O LEU A 41 -2.640 -3.066 -12.951 1.00 24.25 O ATOM 651 CB LEU A 41 -1.257 -0.129 -12.511 1.00 71.13 C ATOM 652 CG LEU A 41 -1.397 1.169 -13.308 1.00 40.33 C ATOM 653 CD1 LEU A 41 -0.034 1.802 -13.541 1.00 40.42 C ATOM 654 CD2 LEU A 41 -2.099 0.908 -14.632 1.00 11.33 C ATOM 0 H LEU A 41 -2.514 0.505 -10.488 1.00 40.44 H new ATOM 0 HA LEU A 41 -3.314 -0.628 -12.881 1.00 33.24 H new ATOM 0 HB2 LEU A 41 -0.692 0.085 -11.604 1.00 71.13 H new ATOM 0 HB3 LEU A 41 -0.664 -0.830 -13.098 1.00 71.13 H new ATOM 0 HG LEU A 41 -2.004 1.865 -12.729 1.00 40.33 H new ATOM 0 HD11 LEU A 41 -0.154 2.724 -14.110 1.00 40.42 H new ATOM 0 HD12 LEU A 41 0.432 2.025 -12.581 1.00 40.42 H new ATOM 0 HD13 LEU A 41 0.597 1.111 -14.099 1.00 40.42 H new ATOM 0 HD21 LEU A 41 -2.190 1.842 -15.186 1.00 11.33 H new ATOM 0 HD22 LEU A 41 -1.519 0.194 -15.217 1.00 11.33 H new ATOM 0 HD23 LEU A 41 -3.092 0.500 -14.443 1.00 11.33 H new ATOM 666 N GLU A 42 -1.836 -2.768 -10.870 1.00 44.12 N ATOM 667 CA GLU A 42 -1.582 -4.187 -10.647 1.00 12.21 C ATOM 668 C GLU A 42 -2.853 -5.005 -10.854 1.00 14.41 C ATOM 669 O GLU A 42 -2.794 -6.189 -11.189 1.00 61.42 O ATOM 670 CB GLU A 42 -1.040 -4.415 -9.235 1.00 21.33 C ATOM 671 CG GLU A 42 0.026 -5.496 -9.160 1.00 73.14 C ATOM 672 CD GLU A 42 -0.407 -6.683 -8.321 1.00 2.53 C ATOM 673 OE1 GLU A 42 -1.201 -7.506 -8.822 1.00 54.30 O ATOM 674 OE2 GLU A 42 0.051 -6.789 -7.164 1.00 50.33 O ATOM 0 H GLU A 42 -1.590 -2.166 -10.084 1.00 44.12 H new ATOM 0 HA GLU A 42 -0.837 -4.515 -11.371 1.00 12.21 H new ATOM 0 HB2 GLU A 42 -0.625 -3.480 -8.859 1.00 21.33 H new ATOM 0 HB3 GLU A 42 -1.866 -4.685 -8.577 1.00 21.33 H new ATOM 0 HG2 GLU A 42 0.266 -5.836 -10.168 1.00 73.14 H new ATOM 0 HG3 GLU A 42 0.939 -5.073 -8.741 1.00 73.14 H new ATOM 681 N ARG A 43 -4.001 -4.367 -10.652 1.00 71.24 N ATOM 682 CA ARG A 43 -5.286 -5.036 -10.814 1.00 0.10 C ATOM 683 C ARG A 43 -5.715 -5.041 -12.279 1.00 12.30 C ATOM 684 O ARG A 43 -6.584 -5.815 -12.679 1.00 14.33 O ATOM 685 CB ARG A 43 -6.355 -4.349 -9.962 1.00 65.20 C ATOM 686 CG ARG A 43 -7.250 -5.319 -9.211 1.00 55.25 C ATOM 687 CD ARG A 43 -8.097 -4.603 -8.168 1.00 23.33 C ATOM 688 NE ARG A 43 -9.463 -5.117 -8.126 1.00 44.21 N ATOM 689 CZ ARG A 43 -10.460 -4.503 -7.499 1.00 21.01 C ATOM 690 NH1 ARG A 43 -10.245 -3.358 -6.867 1.00 22.44 N ATOM 691 NH2 ARG A 43 -11.677 -5.033 -7.505 1.00 45.43 N ATOM 0 H ARG A 43 -4.067 -3.387 -10.376 1.00 71.24 H new ATOM 0 HA ARG A 43 -5.174 -6.068 -10.481 1.00 0.10 H new ATOM 0 HB2 ARG A 43 -5.867 -3.688 -9.245 1.00 65.20 H new ATOM 0 HB3 ARG A 43 -6.972 -3.722 -10.605 1.00 65.20 H new ATOM 0 HG2 ARG A 43 -7.900 -5.837 -9.916 1.00 55.25 H new ATOM 0 HG3 ARG A 43 -6.638 -6.079 -8.725 1.00 55.25 H new ATOM 0 HD2 ARG A 43 -7.636 -4.717 -7.187 1.00 23.33 H new ATOM 0 HD3 ARG A 43 -8.118 -3.536 -8.388 1.00 23.33 H new ATOM 0 HE ARG A 43 -9.662 -5.996 -8.604 1.00 44.21 H new ATOM 0 HH11 ARG A 43 -9.312 -2.946 -6.861 1.00 22.44 H new ATOM 0 HH12 ARG A 43 -11.013 -2.889 -6.386 1.00 22.44 H new ATOM 0 HH21 ARG A 43 -11.848 -5.913 -7.992 1.00 45.43 H new ATOM 0 HH22 ARG A 43 -12.442 -4.560 -7.023 1.00 45.43 H new ATOM 705 N PHE A 44 -5.100 -4.172 -13.074 1.00 43.13 N ATOM 706 CA PHE A 44 -5.418 -4.075 -14.493 1.00 0.21 C ATOM 707 C PHE A 44 -4.362 -4.782 -15.337 1.00 4.12 C ATOM 708 O PHE A 44 -4.184 -4.472 -16.515 1.00 72.33 O ATOM 709 CB PHE A 44 -5.528 -2.608 -14.915 1.00 44.31 C ATOM 710 CG PHE A 44 -6.814 -1.958 -14.493 1.00 62.51 C ATOM 711 CD1 PHE A 44 -7.147 -1.857 -13.151 1.00 33.21 C ATOM 712 CD2 PHE A 44 -7.689 -1.447 -15.437 1.00 14.40 C ATOM 713 CE1 PHE A 44 -8.330 -1.258 -12.760 1.00 20.21 C ATOM 714 CE2 PHE A 44 -8.873 -0.848 -15.052 1.00 64.53 C ATOM 715 CZ PHE A 44 -9.195 -0.754 -13.711 1.00 22.23 C ATOM 0 H PHE A 44 -4.378 -3.524 -12.759 1.00 43.13 H new ATOM 0 HA PHE A 44 -6.377 -4.565 -14.658 1.00 0.21 H new ATOM 0 HB2 PHE A 44 -4.692 -2.052 -14.489 1.00 44.31 H new ATOM 0 HB3 PHE A 44 -5.435 -2.542 -15.999 1.00 44.31 H new ATOM 0 HD1 PHE A 44 -6.475 -2.251 -12.403 1.00 33.21 H new ATOM 0 HD2 PHE A 44 -7.443 -1.518 -16.486 1.00 14.40 H new ATOM 0 HE1 PHE A 44 -8.577 -1.184 -11.711 1.00 20.21 H new ATOM 0 HE2 PHE A 44 -9.547 -0.453 -15.798 1.00 64.53 H new ATOM 0 HZ PHE A 44 -10.121 -0.288 -13.408 1.00 22.23 H new ATOM 725 N ALA A 45 -3.662 -5.732 -14.726 1.00 63.43 N ATOM 726 CA ALA A 45 -2.624 -6.483 -15.420 1.00 31.03 C ATOM 727 C ALA A 45 -1.458 -5.579 -15.808 1.00 51.22 C ATOM 728 O ALA A 45 -0.729 -5.863 -16.758 1.00 22.02 O ATOM 729 CB ALA A 45 -3.200 -7.163 -16.652 1.00 4.05 C ATOM 0 H ALA A 45 -3.795 -6.000 -13.751 1.00 63.43 H new ATOM 0 HA ALA A 45 -2.246 -7.247 -14.740 1.00 31.03 H new ATOM 0 HB1 ALA A 45 -2.414 -7.720 -17.161 1.00 4.05 H new ATOM 0 HB2 ALA A 45 -3.994 -7.847 -16.352 1.00 4.05 H new ATOM 0 HB3 ALA A 45 -3.606 -6.410 -17.327 1.00 4.05 H new ATOM 735 N VAL A 46 -1.290 -4.489 -15.067 1.00 24.43 N ATOM 736 CA VAL A 46 -0.212 -3.542 -15.334 1.00 2.41 C ATOM 737 C VAL A 46 0.645 -3.322 -14.093 1.00 3.43 C ATOM 738 O VAL A 46 0.127 -3.115 -12.996 1.00 33.35 O ATOM 739 CB VAL A 46 -0.762 -2.185 -15.812 1.00 53.44 C ATOM 740 CG1 VAL A 46 0.372 -1.195 -16.027 1.00 71.24 C ATOM 741 CG2 VAL A 46 -1.577 -2.360 -17.084 1.00 3.23 C ATOM 0 H VAL A 46 -1.885 -4.239 -14.277 1.00 24.43 H new ATOM 0 HA VAL A 46 0.402 -3.975 -16.124 1.00 2.41 H new ATOM 0 HB VAL A 46 -1.419 -1.785 -15.039 1.00 53.44 H new ATOM 0 HG11 VAL A 46 -0.036 -0.242 -16.365 1.00 71.24 H new ATOM 0 HG12 VAL A 46 0.909 -1.048 -15.090 1.00 71.24 H new ATOM 0 HG13 VAL A 46 1.057 -1.584 -16.781 1.00 71.24 H new ATOM 0 HG21 VAL A 46 -1.958 -1.392 -17.408 1.00 3.23 H new ATOM 0 HG22 VAL A 46 -0.945 -2.781 -17.866 1.00 3.23 H new ATOM 0 HG23 VAL A 46 -2.413 -3.033 -16.891 1.00 3.23 H new ATOM 751 N ASN A 47 1.961 -3.369 -14.274 1.00 63.24 N ATOM 752 CA ASN A 47 2.892 -3.174 -13.168 1.00 55.31 C ATOM 753 C ASN A 47 3.084 -1.690 -12.874 1.00 43.03 C ATOM 754 O ASN A 47 3.144 -0.855 -13.777 1.00 55.54 O ATOM 755 CB ASN A 47 4.241 -3.821 -13.489 1.00 33.15 C ATOM 756 CG ASN A 47 4.133 -5.323 -13.672 1.00 20.51 C ATOM 757 OD1 ASN A 47 3.034 -5.871 -13.761 1.00 64.40 O ATOM 758 ND2 ASN A 47 5.277 -5.995 -13.730 1.00 31.44 N ATOM 0 H ASN A 47 2.407 -3.540 -15.175 1.00 63.24 H new ATOM 0 HA ASN A 47 2.470 -3.650 -12.283 1.00 55.31 H new ATOM 0 HB2 ASN A 47 4.648 -3.375 -14.397 1.00 33.15 H new ATOM 0 HB3 ASN A 47 4.945 -3.605 -12.685 1.00 33.15 H new ATOM 0 HD21 ASN A 47 5.268 -7.008 -13.853 1.00 31.44 H new ATOM 0 HD22 ASN A 47 6.165 -5.499 -13.652 1.00 31.44 H new ATOM 765 N PRO A 48 3.185 -1.351 -11.579 1.00 22.14 N ATOM 766 CA PRO A 48 3.373 0.033 -11.136 1.00 64.45 C ATOM 767 C PRO A 48 4.757 0.571 -11.486 1.00 44.34 C ATOM 768 O PRO A 48 5.036 1.755 -11.308 1.00 62.40 O ATOM 769 CB PRO A 48 3.202 -0.054 -9.618 1.00 53.23 C ATOM 770 CG PRO A 48 3.558 -1.460 -9.277 1.00 51.41 C ATOM 771 CD PRO A 48 3.123 -2.293 -10.450 1.00 13.41 C ATOM 0 HA PRO A 48 2.673 0.714 -11.619 1.00 64.45 H new ATOM 0 HB2 PRO A 48 3.852 0.655 -9.105 1.00 53.23 H new ATOM 0 HB3 PRO A 48 2.179 0.179 -9.321 1.00 53.23 H new ATOM 0 HG2 PRO A 48 4.629 -1.560 -9.103 1.00 51.41 H new ATOM 0 HG3 PRO A 48 3.056 -1.779 -8.364 1.00 51.41 H new ATOM 0 HD2 PRO A 48 3.783 -3.147 -10.603 1.00 13.41 H new ATOM 0 HD3 PRO A 48 2.117 -2.688 -10.311 1.00 13.41 H new ATOM 779 N GLY A 49 5.621 -0.309 -11.983 1.00 2.02 N ATOM 780 CA GLY A 49 6.965 0.096 -12.349 1.00 1.43 C ATOM 781 C GLY A 49 6.983 1.039 -13.536 1.00 23.31 C ATOM 782 O GLY A 49 7.950 1.775 -13.739 1.00 3.24 O ATOM 0 H GLY A 49 5.414 -1.296 -12.139 1.00 2.02 H new ATOM 0 HA2 GLY A 49 7.440 0.581 -11.496 1.00 1.43 H new ATOM 0 HA3 GLY A 49 7.557 -0.789 -12.583 1.00 1.43 H new ATOM 786 N LEU A 50 5.913 1.018 -14.323 1.00 31.30 N ATOM 787 CA LEU A 50 5.809 1.877 -15.498 1.00 40.13 C ATOM 788 C LEU A 50 5.752 3.346 -15.093 1.00 35.35 C ATOM 789 O LEU A 50 6.191 4.223 -15.839 1.00 74.30 O ATOM 790 CB LEU A 50 4.568 1.511 -16.313 1.00 3.24 C ATOM 791 CG LEU A 50 4.504 0.073 -16.827 1.00 13.54 C ATOM 792 CD1 LEU A 50 3.159 -0.199 -17.485 1.00 51.43 C ATOM 793 CD2 LEU A 50 5.639 -0.197 -17.803 1.00 5.12 C ATOM 0 H LEU A 50 5.105 0.415 -14.169 1.00 31.30 H new ATOM 0 HA LEU A 50 6.696 1.723 -16.112 1.00 40.13 H new ATOM 0 HB2 LEU A 50 3.687 1.696 -15.699 1.00 3.24 H new ATOM 0 HB3 LEU A 50 4.508 2.184 -17.168 1.00 3.24 H new ATOM 0 HG LEU A 50 4.614 -0.600 -15.977 1.00 13.54 H new ATOM 0 HD11 LEU A 50 3.131 -1.227 -17.845 1.00 51.43 H new ATOM 0 HD12 LEU A 50 2.361 -0.047 -16.758 1.00 51.43 H new ATOM 0 HD13 LEU A 50 3.020 0.483 -18.324 1.00 51.43 H new ATOM 0 HD21 LEU A 50 5.577 -1.226 -18.158 1.00 5.12 H new ATOM 0 HD22 LEU A 50 5.560 0.485 -18.650 1.00 5.12 H new ATOM 0 HD23 LEU A 50 6.594 -0.044 -17.301 1.00 5.12 H new ATOM 805 N LEU A 51 5.209 3.608 -13.910 1.00 63.41 N ATOM 806 CA LEU A 51 5.096 4.972 -13.405 1.00 65.23 C ATOM 807 C LEU A 51 6.467 5.535 -13.042 1.00 1.42 C ATOM 808 O LEU A 51 6.635 6.746 -12.908 1.00 53.05 O ATOM 809 CB LEU A 51 4.177 5.010 -12.183 1.00 71.35 C ATOM 810 CG LEU A 51 2.797 4.376 -12.360 1.00 5.04 C ATOM 811 CD1 LEU A 51 2.218 3.972 -11.013 1.00 21.54 C ATOM 812 CD2 LEU A 51 1.859 5.331 -13.082 1.00 61.20 C ATOM 0 H LEU A 51 4.840 2.894 -13.282 1.00 63.41 H new ATOM 0 HA LEU A 51 4.668 5.590 -14.194 1.00 65.23 H new ATOM 0 HB2 LEU A 51 4.682 4.508 -11.358 1.00 71.35 H new ATOM 0 HB3 LEU A 51 4.041 6.050 -11.888 1.00 71.35 H new ATOM 0 HG LEU A 51 2.907 3.478 -12.969 1.00 5.04 H new ATOM 0 HD11 LEU A 51 1.236 3.523 -11.159 1.00 21.54 H new ATOM 0 HD12 LEU A 51 2.880 3.250 -10.534 1.00 21.54 H new ATOM 0 HD13 LEU A 51 2.123 4.853 -10.379 1.00 21.54 H new ATOM 0 HD21 LEU A 51 0.882 4.862 -13.199 1.00 61.20 H new ATOM 0 HD22 LEU A 51 1.755 6.247 -12.501 1.00 61.20 H new ATOM 0 HD23 LEU A 51 2.267 5.569 -14.064 1.00 61.20 H new ATOM 824 N GLU A 52 7.443 4.646 -12.888 1.00 12.22 N ATOM 825 CA GLU A 52 8.800 5.054 -12.542 1.00 34.53 C ATOM 826 C GLU A 52 9.463 5.781 -13.710 1.00 62.22 C ATOM 827 O GLU A 52 10.432 6.519 -13.527 1.00 11.45 O ATOM 828 CB GLU A 52 9.637 3.837 -12.143 1.00 74.41 C ATOM 829 CG GLU A 52 11.061 4.183 -11.744 1.00 24.04 C ATOM 830 CD GLU A 52 11.752 3.051 -11.009 1.00 71.10 C ATOM 831 OE1 GLU A 52 11.082 2.043 -10.707 1.00 54.41 O ATOM 832 OE2 GLU A 52 12.965 3.175 -10.737 1.00 40.14 O ATOM 0 H GLU A 52 7.320 3.639 -12.997 1.00 12.22 H new ATOM 0 HA GLU A 52 8.742 5.738 -11.695 1.00 34.53 H new ATOM 0 HB2 GLU A 52 9.149 3.328 -11.312 1.00 74.41 H new ATOM 0 HB3 GLU A 52 9.662 3.135 -12.976 1.00 74.41 H new ATOM 0 HG2 GLU A 52 11.634 4.435 -12.637 1.00 24.04 H new ATOM 0 HG3 GLU A 52 11.052 5.070 -11.111 1.00 24.04 H new ATOM 839 N THR A 53 8.933 5.567 -14.910 1.00 22.22 N ATOM 840 CA THR A 53 9.474 6.199 -16.108 1.00 41.24 C ATOM 841 C THR A 53 8.403 7.003 -16.835 1.00 61.32 C ATOM 842 O THR A 53 7.278 6.537 -17.016 1.00 25.11 O ATOM 843 CB THR A 53 10.063 5.156 -17.076 1.00 52.00 C ATOM 844 OG1 THR A 53 9.009 4.493 -17.782 1.00 20.21 O ATOM 845 CG2 THR A 53 10.899 4.131 -16.324 1.00 64.22 C ATOM 0 H THR A 53 8.130 4.961 -15.079 1.00 22.22 H new ATOM 0 HA THR A 53 10.269 6.869 -15.781 1.00 41.24 H new ATOM 0 HB THR A 53 10.706 5.675 -17.787 1.00 52.00 H new ATOM 0 HG1 THR A 53 9.392 3.833 -18.397 1.00 20.21 H new ATOM 0 HG21 THR A 53 11.304 3.405 -17.028 1.00 64.22 H new ATOM 0 HG22 THR A 53 11.718 4.635 -15.811 1.00 64.22 H new ATOM 0 HG23 THR A 53 10.274 3.618 -15.593 1.00 64.22 H new ATOM 853 N SER A 54 8.760 8.214 -17.251 1.00 4.12 N ATOM 854 CA SER A 54 7.829 9.085 -17.958 1.00 75.44 C ATOM 855 C SER A 54 7.238 8.378 -19.173 1.00 11.33 C ATOM 856 O SER A 54 6.108 8.651 -19.576 1.00 63.43 O ATOM 857 CB SER A 54 8.531 10.373 -18.393 1.00 50.13 C ATOM 858 OG SER A 54 8.757 10.382 -19.792 1.00 2.41 O ATOM 0 H SER A 54 9.688 8.614 -17.110 1.00 4.12 H new ATOM 0 HA SER A 54 7.017 9.336 -17.276 1.00 75.44 H new ATOM 0 HB2 SER A 54 7.924 11.234 -18.114 1.00 50.13 H new ATOM 0 HB3 SER A 54 9.481 10.469 -17.867 1.00 50.13 H new ATOM 0 HG SER A 54 9.205 11.216 -20.046 1.00 2.41 H new ATOM 864 N GLU A 55 8.014 7.468 -19.754 1.00 14.43 N ATOM 865 CA GLU A 55 7.568 6.721 -20.925 1.00 61.11 C ATOM 866 C GLU A 55 6.510 5.690 -20.543 1.00 74.22 C ATOM 867 O GLU A 55 5.553 5.465 -21.283 1.00 51.45 O ATOM 868 CB GLU A 55 8.755 6.025 -21.595 1.00 13.11 C ATOM 869 CG GLU A 55 8.538 5.738 -23.072 1.00 60.34 C ATOM 870 CD GLU A 55 8.052 4.325 -23.326 1.00 64.11 C ATOM 871 OE1 GLU A 55 8.786 3.375 -22.980 1.00 40.34 O ATOM 872 OE2 GLU A 55 6.940 4.168 -23.872 1.00 1.32 O ATOM 0 H GLU A 55 8.953 7.230 -19.434 1.00 14.43 H new ATOM 0 HA GLU A 55 7.125 7.427 -21.627 1.00 61.11 H new ATOM 0 HB2 GLU A 55 9.642 6.648 -21.481 1.00 13.11 H new ATOM 0 HB3 GLU A 55 8.955 5.087 -21.077 1.00 13.11 H new ATOM 0 HG2 GLU A 55 7.812 6.445 -23.473 1.00 60.34 H new ATOM 0 HG3 GLU A 55 9.472 5.899 -23.611 1.00 60.34 H new ATOM 879 N GLY A 56 6.691 5.067 -19.383 1.00 52.33 N ATOM 880 CA GLY A 56 5.744 4.067 -18.923 1.00 62.43 C ATOM 881 C GLY A 56 4.384 4.657 -18.609 1.00 1.24 C ATOM 882 O GLY A 56 3.364 3.975 -18.720 1.00 40.02 O ATOM 0 H GLY A 56 7.476 5.236 -18.754 1.00 52.33 H new ATOM 0 HA2 GLY A 56 5.635 3.296 -19.686 1.00 62.43 H new ATOM 0 HA3 GLY A 56 6.139 3.579 -18.032 1.00 62.43 H new ATOM 886 N CYS A 57 4.367 5.925 -18.218 1.00 61.45 N ATOM 887 CA CYS A 57 3.121 6.607 -17.885 1.00 74.23 C ATOM 888 C CYS A 57 2.246 6.776 -19.123 1.00 43.24 C ATOM 889 O CYS A 57 1.140 6.241 -19.191 1.00 21.12 O ATOM 890 CB CYS A 57 3.412 7.972 -17.261 1.00 64.10 C ATOM 891 SG CYS A 57 4.369 7.895 -15.729 1.00 40.55 S ATOM 0 H CYS A 57 5.202 6.503 -18.123 1.00 61.45 H new ATOM 0 HA CYS A 57 2.583 5.994 -17.162 1.00 74.23 H new ATOM 0 HB2 CYS A 57 3.953 8.582 -17.984 1.00 64.10 H new ATOM 0 HB3 CYS A 57 2.467 8.477 -17.061 1.00 64.10 H new ATOM 0 HG CYS A 57 5.536 7.376 -15.972 1.00 40.55 H new ATOM 897 N ARG A 58 2.750 7.525 -20.098 1.00 13.15 N ATOM 898 CA ARG A 58 2.013 7.768 -21.333 1.00 4.41 C ATOM 899 C ARG A 58 1.356 6.485 -21.835 1.00 63.24 C ATOM 900 O ARG A 58 0.215 6.501 -22.295 1.00 44.54 O ATOM 901 CB ARG A 58 2.948 8.329 -22.407 1.00 13.02 C ATOM 902 CG ARG A 58 2.415 9.582 -23.083 1.00 0.40 C ATOM 903 CD ARG A 58 3.425 10.158 -24.062 1.00 34.43 C ATOM 904 NE ARG A 58 2.783 10.687 -25.263 1.00 12.21 N ATOM 905 CZ ARG A 58 2.215 9.923 -26.190 1.00 43.53 C ATOM 906 NH1 ARG A 58 2.209 8.603 -26.052 1.00 32.10 N ATOM 907 NH2 ARG A 58 1.651 10.477 -27.254 1.00 21.13 N ATOM 0 H ARG A 58 3.665 7.974 -20.057 1.00 13.15 H new ATOM 0 HA ARG A 58 1.231 8.498 -21.123 1.00 4.41 H new ATOM 0 HB2 ARG A 58 3.914 8.553 -21.955 1.00 13.02 H new ATOM 0 HB3 ARG A 58 3.120 7.563 -23.163 1.00 13.02 H new ATOM 0 HG2 ARG A 58 1.490 9.348 -23.609 1.00 0.40 H new ATOM 0 HG3 ARG A 58 2.172 10.329 -22.327 1.00 0.40 H new ATOM 0 HD2 ARG A 58 3.991 10.952 -23.574 1.00 34.43 H new ATOM 0 HD3 ARG A 58 4.139 9.384 -24.344 1.00 34.43 H new ATOM 0 HE ARG A 58 2.770 11.698 -25.397 1.00 12.21 H new ATOM 0 HH11 ARG A 58 2.641 8.174 -25.234 1.00 32.10 H new ATOM 0 HH12 ARG A 58 1.773 8.018 -26.764 1.00 32.10 H new ATOM 0 HH21 ARG A 58 1.653 11.491 -27.362 1.00 21.13 H new ATOM 0 HH22 ARG A 58 1.215 9.889 -27.965 1.00 21.13 H new ATOM 921 N GLN A 59 2.085 5.377 -21.743 1.00 62.11 N ATOM 922 CA GLN A 59 1.573 4.087 -22.189 1.00 0.13 C ATOM 923 C GLN A 59 0.335 3.689 -21.393 1.00 13.20 C ATOM 924 O GLN A 59 -0.673 3.269 -21.963 1.00 4.05 O ATOM 925 CB GLN A 59 2.651 3.011 -22.050 1.00 61.43 C ATOM 926 CG GLN A 59 3.096 2.419 -23.378 1.00 73.42 C ATOM 927 CD GLN A 59 4.255 1.453 -23.228 1.00 74.24 C ATOM 928 OE1 GLN A 59 4.067 0.236 -23.233 1.00 23.40 O ATOM 929 NE2 GLN A 59 5.460 1.991 -23.092 1.00 63.43 N ATOM 0 H GLN A 59 3.031 5.347 -21.364 1.00 62.11 H new ATOM 0 HA GLN A 59 1.294 4.178 -23.239 1.00 0.13 H new ATOM 0 HB2 GLN A 59 3.517 3.439 -21.544 1.00 61.43 H new ATOM 0 HB3 GLN A 59 2.274 2.211 -21.413 1.00 61.43 H new ATOM 0 HG2 GLN A 59 2.255 1.902 -23.841 1.00 73.42 H new ATOM 0 HG3 GLN A 59 3.385 3.225 -24.052 1.00 73.42 H new ATOM 0 HE21 GLN A 59 5.569 3.005 -23.094 1.00 63.43 H new ATOM 0 HE22 GLN A 59 6.278 1.390 -22.986 1.00 63.43 H new ATOM 938 N ILE A 60 0.416 3.823 -20.074 1.00 43.01 N ATOM 939 CA ILE A 60 -0.698 3.478 -19.200 1.00 13.44 C ATOM 940 C ILE A 60 -1.917 4.346 -19.496 1.00 65.14 C ATOM 941 O ILE A 60 -3.056 3.889 -19.400 1.00 34.31 O ATOM 942 CB ILE A 60 -0.320 3.632 -17.716 1.00 1.03 C ATOM 943 CG1 ILE A 60 0.892 2.757 -17.383 1.00 74.31 C ATOM 944 CG2 ILE A 60 -1.500 3.271 -16.828 1.00 13.21 C ATOM 945 CD1 ILE A 60 1.728 3.292 -16.242 1.00 13.15 C ATOM 0 H ILE A 60 1.243 4.169 -19.586 1.00 43.01 H new ATOM 0 HA ILE A 60 -0.941 2.434 -19.396 1.00 13.44 H new ATOM 0 HB ILE A 60 -0.056 4.673 -17.530 1.00 1.03 H new ATOM 0 HG12 ILE A 60 0.548 1.754 -17.131 1.00 74.31 H new ATOM 0 HG13 ILE A 60 1.519 2.666 -18.270 1.00 74.31 H new ATOM 0 HG21 ILE A 60 -1.216 3.385 -15.782 1.00 13.21 H new ATOM 0 HG22 ILE A 60 -2.338 3.931 -17.051 1.00 13.21 H new ATOM 0 HG23 ILE A 60 -1.793 2.238 -17.014 1.00 13.21 H new ATOM 0 HD11 ILE A 60 2.569 2.622 -16.062 1.00 13.15 H new ATOM 0 HD12 ILE A 60 2.102 4.283 -16.499 1.00 13.15 H new ATOM 0 HD13 ILE A 60 1.116 3.357 -15.342 1.00 13.15 H new ATOM 957 N LEU A 61 -1.669 5.601 -19.855 1.00 53.14 N ATOM 958 CA LEU A 61 -2.747 6.535 -20.165 1.00 25.25 C ATOM 959 C LEU A 61 -3.368 6.217 -21.522 1.00 4.14 C ATOM 960 O LEU A 61 -4.515 6.572 -21.788 1.00 12.43 O ATOM 961 CB LEU A 61 -2.221 7.972 -20.156 1.00 42.51 C ATOM 962 CG LEU A 61 -1.699 8.486 -18.814 1.00 31.00 C ATOM 963 CD1 LEU A 61 -0.577 9.491 -19.028 1.00 74.14 C ATOM 964 CD2 LEU A 61 -2.828 9.108 -18.006 1.00 74.23 C ATOM 0 H LEU A 61 -0.732 5.995 -19.939 1.00 53.14 H new ATOM 0 HA LEU A 61 -3.517 6.432 -19.400 1.00 25.25 H new ATOM 0 HB2 LEU A 61 -1.418 8.049 -20.889 1.00 42.51 H new ATOM 0 HB3 LEU A 61 -3.021 8.633 -20.489 1.00 42.51 H new ATOM 0 HG LEU A 61 -1.300 7.641 -18.253 1.00 31.00 H new ATOM 0 HD11 LEU A 61 -0.218 9.846 -18.062 1.00 74.14 H new ATOM 0 HD12 LEU A 61 0.242 9.013 -19.566 1.00 74.14 H new ATOM 0 HD13 LEU A 61 -0.950 10.335 -19.609 1.00 74.14 H new ATOM 0 HD21 LEU A 61 -2.438 9.468 -17.054 1.00 74.23 H new ATOM 0 HD22 LEU A 61 -3.257 9.942 -18.562 1.00 74.23 H new ATOM 0 HD23 LEU A 61 -3.599 8.360 -17.823 1.00 74.23 H new ATOM 976 N GLY A 62 -2.601 5.546 -22.376 1.00 41.53 N ATOM 977 CA GLY A 62 -3.094 5.189 -23.694 1.00 64.12 C ATOM 978 C GLY A 62 -4.173 4.126 -23.641 1.00 10.14 C ATOM 979 O GLY A 62 -4.877 3.900 -24.625 1.00 42.40 O ATOM 0 H GLY A 62 -1.647 5.243 -22.179 1.00 41.53 H new ATOM 0 HA2 GLY A 62 -3.489 6.079 -24.184 1.00 64.12 H new ATOM 0 HA3 GLY A 62 -2.265 4.831 -24.304 1.00 64.12 H new ATOM 983 N GLN A 63 -4.301 3.472 -22.491 1.00 22.05 N ATOM 984 CA GLN A 63 -5.301 2.425 -22.317 1.00 50.31 C ATOM 985 C GLN A 63 -6.598 2.998 -21.755 1.00 24.32 C ATOM 986 O GLN A 63 -7.688 2.687 -22.239 1.00 64.20 O ATOM 987 CB GLN A 63 -4.768 1.333 -21.387 1.00 15.30 C ATOM 988 CG GLN A 63 -4.293 0.089 -22.121 1.00 41.34 C ATOM 989 CD GLN A 63 -2.797 0.092 -22.367 1.00 40.02 C ATOM 990 OE1 GLN A 63 -2.335 0.459 -23.447 1.00 20.02 O ATOM 991 NE2 GLN A 63 -2.031 -0.317 -21.362 1.00 12.31 N ATOM 0 H GLN A 63 -3.726 3.648 -21.667 1.00 22.05 H new ATOM 0 HA GLN A 63 -5.511 1.991 -23.295 1.00 50.31 H new ATOM 0 HB2 GLN A 63 -3.942 1.737 -20.801 1.00 15.30 H new ATOM 0 HB3 GLN A 63 -5.551 1.053 -20.683 1.00 15.30 H new ATOM 0 HG2 GLN A 63 -4.560 -0.795 -21.541 1.00 41.34 H new ATOM 0 HG3 GLN A 63 -4.814 0.014 -23.075 1.00 41.34 H new ATOM 0 HE21 GLN A 63 -2.457 -0.613 -20.484 1.00 12.31 H new ATOM 0 HE22 GLN A 63 -1.017 -0.335 -21.469 1.00 12.31 H new ATOM 1000 N LEU A 64 -6.474 3.838 -20.733 1.00 41.41 N ATOM 1001 CA LEU A 64 -7.637 4.456 -20.105 1.00 33.12 C ATOM 1002 C LEU A 64 -8.184 5.589 -20.969 1.00 50.34 C ATOM 1003 O LEU A 64 -9.387 5.849 -20.977 1.00 62.12 O ATOM 1004 CB LEU A 64 -7.270 4.986 -18.719 1.00 75.34 C ATOM 1005 CG LEU A 64 -6.422 4.059 -17.847 1.00 22.55 C ATOM 1006 CD1 LEU A 64 -5.953 4.785 -16.596 1.00 3.03 C ATOM 1007 CD2 LEU A 64 -7.206 2.809 -17.479 1.00 72.22 C ATOM 0 H LEU A 64 -5.580 4.107 -20.322 1.00 41.41 H new ATOM 0 HA LEU A 64 -8.412 3.696 -20.002 1.00 33.12 H new ATOM 0 HB2 LEU A 64 -6.733 5.927 -18.842 1.00 75.34 H new ATOM 0 HB3 LEU A 64 -8.192 5.213 -18.183 1.00 75.34 H new ATOM 0 HG LEU A 64 -5.544 3.757 -18.417 1.00 22.55 H new ATOM 0 HD11 LEU A 64 -5.351 4.110 -15.988 1.00 3.03 H new ATOM 0 HD12 LEU A 64 -5.353 5.650 -16.880 1.00 3.03 H new ATOM 0 HD13 LEU A 64 -6.818 5.117 -16.022 1.00 3.03 H new ATOM 0 HD21 LEU A 64 -6.587 2.161 -16.858 1.00 72.22 H new ATOM 0 HD22 LEU A 64 -8.103 3.091 -16.927 1.00 72.22 H new ATOM 0 HD23 LEU A 64 -7.491 2.278 -18.387 1.00 72.22 H new ATOM 1019 N GLN A 65 -7.293 6.256 -21.694 1.00 71.01 N ATOM 1020 CA GLN A 65 -7.687 7.360 -22.562 1.00 41.33 C ATOM 1021 C GLN A 65 -8.932 7.001 -23.366 1.00 22.32 C ATOM 1022 O GLN A 65 -9.969 7.659 -23.278 1.00 42.13 O ATOM 1023 CB GLN A 65 -6.542 7.726 -23.508 1.00 72.43 C ATOM 1024 CG GLN A 65 -7.011 8.282 -24.843 1.00 44.31 C ATOM 1025 CD GLN A 65 -5.894 8.948 -25.622 1.00 62.20 C ATOM 1026 OE1 GLN A 65 -5.023 9.601 -25.046 1.00 45.31 O ATOM 1027 NE2 GLN A 65 -5.914 8.786 -26.941 1.00 64.14 N ATOM 0 H GLN A 65 -6.294 6.052 -21.698 1.00 71.01 H new ATOM 0 HA GLN A 65 -7.918 8.220 -21.933 1.00 41.33 H new ATOM 0 HB2 GLN A 65 -5.901 8.462 -23.022 1.00 72.43 H new ATOM 0 HB3 GLN A 65 -5.932 6.841 -23.687 1.00 72.43 H new ATOM 0 HG2 GLN A 65 -7.434 7.474 -25.440 1.00 44.31 H new ATOM 0 HG3 GLN A 65 -7.810 9.004 -24.671 1.00 44.31 H new ATOM 0 HE21 GLN A 65 -6.655 8.237 -27.376 1.00 64.14 H new ATOM 0 HE22 GLN A 65 -5.188 9.211 -27.518 1.00 64.14 H new ATOM 1036 N PRO A 66 -8.830 5.934 -24.173 1.00 60.32 N ATOM 1037 CA PRO A 66 -9.938 5.464 -25.009 1.00 41.51 C ATOM 1038 C PRO A 66 -11.069 4.856 -24.185 1.00 64.51 C ATOM 1039 O PRO A 66 -12.154 4.595 -24.702 1.00 14.23 O ATOM 1040 CB PRO A 66 -9.288 4.397 -25.893 1.00 23.34 C ATOM 1041 CG PRO A 66 -8.118 3.915 -25.107 1.00 32.34 C ATOM 1042 CD PRO A 66 -7.624 5.103 -24.329 1.00 62.54 C ATOM 0 HA PRO A 66 -10.399 6.278 -25.569 1.00 41.51 H new ATOM 0 HB2 PRO A 66 -9.982 3.585 -26.108 1.00 23.34 H new ATOM 0 HB3 PRO A 66 -8.977 4.813 -26.851 1.00 23.34 H new ATOM 0 HG2 PRO A 66 -8.405 3.103 -24.439 1.00 32.34 H new ATOM 0 HG3 PRO A 66 -7.339 3.528 -25.764 1.00 32.34 H new ATOM 0 HD2 PRO A 66 -7.212 4.808 -23.364 1.00 62.54 H new ATOM 0 HD3 PRO A 66 -6.836 5.634 -24.863 1.00 62.54 H new ATOM 1050 N SER A 67 -10.806 4.635 -22.901 1.00 33.03 N ATOM 1051 CA SER A 67 -11.801 4.054 -22.007 1.00 63.04 C ATOM 1052 C SER A 67 -12.514 5.142 -21.208 1.00 3.24 C ATOM 1053 O SER A 67 -13.487 4.873 -20.503 1.00 32.42 O ATOM 1054 CB SER A 67 -11.140 3.056 -21.053 1.00 35.32 C ATOM 1055 OG SER A 67 -10.763 3.683 -19.840 1.00 40.22 O ATOM 0 H SER A 67 -9.913 4.849 -22.457 1.00 33.03 H new ATOM 0 HA SER A 67 -12.539 3.531 -22.615 1.00 63.04 H new ATOM 0 HB2 SER A 67 -11.829 2.237 -20.844 1.00 35.32 H new ATOM 0 HB3 SER A 67 -10.262 2.620 -21.529 1.00 35.32 H new ATOM 0 HG SER A 67 -10.319 4.534 -20.036 1.00 40.22 H new ATOM 1061 N LEU A 68 -12.021 6.370 -21.324 1.00 71.13 N ATOM 1062 CA LEU A 68 -12.610 7.501 -20.614 1.00 45.44 C ATOM 1063 C LEU A 68 -14.077 7.678 -20.992 1.00 42.54 C ATOM 1064 O LEU A 68 -14.884 8.140 -20.186 1.00 41.12 O ATOM 1065 CB LEU A 68 -11.834 8.782 -20.921 1.00 63.53 C ATOM 1066 CG LEU A 68 -10.603 9.046 -20.052 1.00 13.15 C ATOM 1067 CD1 LEU A 68 -9.572 9.860 -20.821 1.00 54.43 C ATOM 1068 CD2 LEU A 68 -10.999 9.760 -18.769 1.00 53.04 C ATOM 0 H LEU A 68 -11.215 6.608 -21.902 1.00 71.13 H new ATOM 0 HA LEU A 68 -12.552 7.296 -19.545 1.00 45.44 H new ATOM 0 HB2 LEU A 68 -11.518 8.750 -21.964 1.00 63.53 H new ATOM 0 HB3 LEU A 68 -12.514 9.628 -20.820 1.00 63.53 H new ATOM 0 HG LEU A 68 -10.156 8.088 -19.787 1.00 13.15 H new ATOM 0 HD11 LEU A 68 -8.703 10.038 -20.187 1.00 54.43 H new ATOM 0 HD12 LEU A 68 -9.265 9.311 -21.711 1.00 54.43 H new ATOM 0 HD13 LEU A 68 -10.008 10.814 -21.116 1.00 54.43 H new ATOM 0 HD21 LEU A 68 -10.111 9.939 -18.163 1.00 53.04 H new ATOM 0 HD22 LEU A 68 -11.470 10.712 -19.013 1.00 53.04 H new ATOM 0 HD23 LEU A 68 -11.700 9.141 -18.210 1.00 53.04 H new ATOM 1080 N GLN A 69 -14.414 7.305 -22.223 1.00 64.21 N ATOM 1081 CA GLN A 69 -15.784 7.422 -22.707 1.00 61.11 C ATOM 1082 C GLN A 69 -16.763 6.774 -21.733 1.00 65.13 C ATOM 1083 O GLN A 69 -17.782 7.365 -21.374 1.00 24.35 O ATOM 1084 CB GLN A 69 -15.917 6.775 -24.086 1.00 4.02 C ATOM 1085 CG GLN A 69 -16.608 7.661 -25.110 1.00 52.23 C ATOM 1086 CD GLN A 69 -17.927 7.083 -25.586 1.00 43.33 C ATOM 1087 OE1 GLN A 69 -17.955 6.133 -26.369 1.00 62.10 O ATOM 1088 NE2 GLN A 69 -19.028 7.654 -25.114 1.00 54.14 N ATOM 0 H GLN A 69 -13.758 6.920 -22.902 1.00 64.21 H new ATOM 0 HA GLN A 69 -16.025 8.482 -22.785 1.00 61.11 H new ATOM 0 HB2 GLN A 69 -14.924 6.515 -24.454 1.00 4.02 H new ATOM 0 HB3 GLN A 69 -16.475 5.843 -23.989 1.00 4.02 H new ATOM 0 HG2 GLN A 69 -16.783 8.645 -24.675 1.00 52.23 H new ATOM 0 HG3 GLN A 69 -15.948 7.804 -25.966 1.00 52.23 H new ATOM 0 HE21 GLN A 69 -18.958 8.439 -24.467 1.00 54.14 H new ATOM 0 HE22 GLN A 69 -19.944 7.308 -25.398 1.00 54.14 H new ATOM 1097 N THR A 70 -16.447 5.555 -21.306 1.00 34.34 N ATOM 1098 CA THR A 70 -17.299 4.827 -20.375 1.00 62.13 C ATOM 1099 C THR A 70 -16.495 4.299 -19.192 1.00 24.12 C ATOM 1100 O THR A 70 -16.682 3.163 -18.760 1.00 55.43 O ATOM 1101 CB THR A 70 -18.008 3.648 -21.067 1.00 40.50 C ATOM 1102 OG1 THR A 70 -18.194 3.935 -22.458 1.00 42.34 O ATOM 1103 CG2 THR A 70 -19.355 3.369 -20.418 1.00 45.45 C ATOM 0 H THR A 70 -15.607 5.052 -21.591 1.00 34.34 H new ATOM 0 HA THR A 70 -18.049 5.532 -20.015 1.00 62.13 H new ATOM 0 HB THR A 70 -17.380 2.763 -20.960 1.00 40.50 H new ATOM 0 HG1 THR A 70 -18.644 3.179 -22.891 1.00 42.34 H new ATOM 0 HG21 THR A 70 -19.836 2.532 -20.924 1.00 45.45 H new ATOM 0 HG22 THR A 70 -19.208 3.121 -19.367 1.00 45.45 H new ATOM 0 HG23 THR A 70 -19.987 4.253 -20.497 1.00 45.45 H new ATOM 1111 N GLY A 71 -15.598 5.132 -18.673 1.00 12.34 N ATOM 1112 CA GLY A 71 -14.780 4.730 -17.544 1.00 23.41 C ATOM 1113 C GLY A 71 -15.371 5.161 -16.217 1.00 72.35 C ATOM 1114 O GLY A 71 -15.630 6.345 -16.000 1.00 45.11 O ATOM 0 H GLY A 71 -15.423 6.077 -19.014 1.00 12.34 H new ATOM 0 HA2 GLY A 71 -14.664 3.646 -17.551 1.00 23.41 H new ATOM 0 HA3 GLY A 71 -13.783 5.158 -17.651 1.00 23.41 H new ATOM 1118 N SER A 72 -15.587 4.198 -15.326 1.00 13.03 N ATOM 1119 CA SER A 72 -16.157 4.483 -14.015 1.00 30.52 C ATOM 1120 C SER A 72 -15.361 5.572 -13.302 1.00 72.24 C ATOM 1121 O SER A 72 -14.304 5.991 -13.771 1.00 51.32 O ATOM 1122 CB SER A 72 -16.186 3.214 -13.161 1.00 73.51 C ATOM 1123 OG SER A 72 -15.023 3.113 -12.358 1.00 22.32 O ATOM 0 H SER A 72 -15.376 3.214 -15.489 1.00 13.03 H new ATOM 0 HA SER A 72 -17.177 4.838 -14.159 1.00 30.52 H new ATOM 0 HB2 SER A 72 -17.071 3.220 -12.525 1.00 73.51 H new ATOM 0 HB3 SER A 72 -16.263 2.339 -13.807 1.00 73.51 H new ATOM 0 HG SER A 72 -15.281 2.929 -11.431 1.00 22.32 H new ATOM 1129 N GLU A 73 -15.879 6.026 -12.165 1.00 44.43 N ATOM 1130 CA GLU A 73 -15.217 7.067 -11.387 1.00 51.13 C ATOM 1131 C GLU A 73 -13.770 6.685 -11.088 1.00 52.34 C ATOM 1132 O GLU A 73 -12.861 7.504 -11.223 1.00 54.14 O ATOM 1133 CB GLU A 73 -15.971 7.314 -10.078 1.00 12.42 C ATOM 1134 CG GLU A 73 -15.944 8.764 -9.624 1.00 12.43 C ATOM 1135 CD GLU A 73 -16.965 9.055 -8.542 1.00 34.33 C ATOM 1136 OE1 GLU A 73 -16.663 8.806 -7.357 1.00 15.00 O ATOM 1137 OE2 GLU A 73 -18.068 9.535 -8.883 1.00 43.53 O ATOM 0 H GLU A 73 -16.754 5.690 -11.762 1.00 44.43 H new ATOM 0 HA GLU A 73 -15.219 7.983 -11.978 1.00 51.13 H new ATOM 0 HB2 GLU A 73 -17.007 7.000 -10.201 1.00 12.42 H new ATOM 0 HB3 GLU A 73 -15.539 6.689 -9.296 1.00 12.42 H new ATOM 0 HG2 GLU A 73 -14.948 9.006 -9.253 1.00 12.43 H new ATOM 0 HG3 GLU A 73 -16.132 9.412 -10.480 1.00 12.43 H new ATOM 1144 N GLU A 74 -13.565 5.436 -10.681 1.00 64.01 N ATOM 1145 CA GLU A 74 -12.229 4.948 -10.361 1.00 45.41 C ATOM 1146 C GLU A 74 -11.260 5.225 -11.507 1.00 61.44 C ATOM 1147 O GLU A 74 -10.094 5.556 -11.282 1.00 32.34 O ATOM 1148 CB GLU A 74 -12.268 3.447 -10.065 1.00 1.52 C ATOM 1149 CG GLU A 74 -12.809 3.113 -8.685 1.00 41.24 C ATOM 1150 CD GLU A 74 -14.301 3.357 -8.568 1.00 14.04 C ATOM 1151 OE1 GLU A 74 -15.080 2.550 -9.116 1.00 13.30 O ATOM 1152 OE2 GLU A 74 -14.689 4.357 -7.927 1.00 4.35 O ATOM 0 H GLU A 74 -14.306 4.745 -10.565 1.00 64.01 H new ATOM 0 HA GLU A 74 -11.879 5.478 -9.475 1.00 45.41 H new ATOM 0 HB2 GLU A 74 -12.883 2.953 -10.817 1.00 1.52 H new ATOM 0 HB3 GLU A 74 -11.261 3.040 -10.160 1.00 1.52 H new ATOM 0 HG2 GLU A 74 -12.597 2.068 -8.459 1.00 41.24 H new ATOM 0 HG3 GLU A 74 -12.287 3.713 -7.939 1.00 41.24 H new ATOM 1159 N LEU A 75 -11.749 5.088 -12.734 1.00 4.44 N ATOM 1160 CA LEU A 75 -10.927 5.323 -13.916 1.00 70.41 C ATOM 1161 C LEU A 75 -10.487 6.782 -13.992 1.00 60.13 C ATOM 1162 O LEU A 75 -9.358 7.082 -14.380 1.00 44.43 O ATOM 1163 CB LEU A 75 -11.698 4.945 -15.181 1.00 32.24 C ATOM 1164 CG LEU A 75 -10.852 4.508 -16.378 1.00 64.21 C ATOM 1165 CD1 LEU A 75 -11.420 3.242 -17.000 1.00 42.24 C ATOM 1166 CD2 LEU A 75 -10.774 5.622 -17.411 1.00 64.43 C ATOM 0 H LEU A 75 -12.711 4.815 -12.937 1.00 4.44 H new ATOM 0 HA LEU A 75 -10.037 4.698 -13.840 1.00 70.41 H new ATOM 0 HB2 LEU A 75 -12.387 4.137 -14.935 1.00 32.24 H new ATOM 0 HB3 LEU A 75 -12.303 5.800 -15.482 1.00 32.24 H new ATOM 0 HG LEU A 75 -9.843 4.294 -16.026 1.00 64.21 H new ATOM 0 HD11 LEU A 75 -10.805 2.947 -17.850 1.00 42.24 H new ATOM 0 HD12 LEU A 75 -11.423 2.442 -16.259 1.00 42.24 H new ATOM 0 HD13 LEU A 75 -12.440 3.428 -17.337 1.00 42.24 H new ATOM 0 HD21 LEU A 75 -10.168 5.293 -18.255 1.00 64.43 H new ATOM 0 HD22 LEU A 75 -11.778 5.867 -17.758 1.00 64.43 H new ATOM 0 HD23 LEU A 75 -10.320 6.505 -16.961 1.00 64.43 H new ATOM 1178 N ARG A 76 -11.387 7.686 -13.616 1.00 32.44 N ATOM 1179 CA ARG A 76 -11.092 9.113 -13.641 1.00 24.31 C ATOM 1180 C ARG A 76 -9.947 9.449 -12.689 1.00 11.12 C ATOM 1181 O ARG A 76 -8.977 10.102 -13.075 1.00 42.30 O ATOM 1182 CB ARG A 76 -12.336 9.920 -13.263 1.00 62.00 C ATOM 1183 CG ARG A 76 -12.993 10.616 -14.444 1.00 54.30 C ATOM 1184 CD ARG A 76 -14.509 10.539 -14.362 1.00 74.43 C ATOM 1185 NE ARG A 76 -15.155 11.530 -15.220 1.00 41.21 N ATOM 1186 CZ ARG A 76 -16.448 11.825 -15.156 1.00 34.53 C ATOM 1187 NH1 ARG A 76 -17.230 11.211 -14.280 1.00 20.33 N ATOM 1188 NH2 ARG A 76 -16.961 12.739 -15.971 1.00 14.33 N ATOM 0 H ARG A 76 -12.326 7.455 -13.291 1.00 32.44 H new ATOM 0 HA ARG A 76 -10.789 9.377 -14.654 1.00 24.31 H new ATOM 0 HB2 ARG A 76 -13.062 9.255 -12.795 1.00 62.00 H new ATOM 0 HB3 ARG A 76 -12.061 10.667 -12.519 1.00 62.00 H new ATOM 0 HG2 ARG A 76 -12.681 11.660 -14.472 1.00 54.30 H new ATOM 0 HG3 ARG A 76 -12.654 10.157 -15.373 1.00 54.30 H new ATOM 0 HD2 ARG A 76 -14.837 9.541 -14.651 1.00 74.43 H new ATOM 0 HD3 ARG A 76 -14.824 10.692 -13.330 1.00 74.43 H new ATOM 0 HE ARG A 76 -14.581 12.022 -15.905 1.00 41.21 H new ATOM 0 HH11 ARG A 76 -16.839 10.509 -13.652 1.00 20.33 H new ATOM 0 HH12 ARG A 76 -18.223 11.440 -14.234 1.00 20.33 H new ATOM 0 HH21 ARG A 76 -16.362 13.214 -16.646 1.00 14.33 H new ATOM 0 HH22 ARG A 76 -17.954 12.966 -15.922 1.00 14.33 H new ATOM 1202 N SER A 77 -10.068 8.998 -11.445 1.00 1.12 N ATOM 1203 CA SER A 77 -9.045 9.252 -10.437 1.00 73.54 C ATOM 1204 C SER A 77 -7.664 8.859 -10.952 1.00 3.32 C ATOM 1205 O SER A 77 -6.681 9.570 -10.737 1.00 34.15 O ATOM 1206 CB SER A 77 -9.362 8.484 -9.152 1.00 21.15 C ATOM 1207 OG SER A 77 -10.241 9.221 -8.321 1.00 4.42 O ATOM 0 H SER A 77 -10.864 8.455 -11.111 1.00 1.12 H new ATOM 0 HA SER A 77 -9.041 10.320 -10.221 1.00 73.54 H new ATOM 0 HB2 SER A 77 -9.812 7.523 -9.401 1.00 21.15 H new ATOM 0 HB3 SER A 77 -8.438 8.273 -8.613 1.00 21.15 H new ATOM 0 HG SER A 77 -10.429 8.708 -7.508 1.00 4.42 H new ATOM 1213 N LEU A 78 -7.596 7.720 -11.633 1.00 75.10 N ATOM 1214 CA LEU A 78 -6.336 7.229 -12.180 1.00 35.33 C ATOM 1215 C LEU A 78 -5.768 8.209 -13.202 1.00 61.24 C ATOM 1216 O LEU A 78 -4.631 8.663 -13.074 1.00 61.34 O ATOM 1217 CB LEU A 78 -6.539 5.858 -12.829 1.00 70.21 C ATOM 1218 CG LEU A 78 -6.005 4.659 -12.045 1.00 65.40 C ATOM 1219 CD1 LEU A 78 -4.529 4.843 -11.729 1.00 41.24 C ATOM 1220 CD2 LEU A 78 -6.806 4.459 -10.766 1.00 45.11 C ATOM 0 H LEU A 78 -8.399 7.119 -11.819 1.00 75.10 H new ATOM 0 HA LEU A 78 -5.624 7.134 -11.360 1.00 35.33 H new ATOM 0 HB2 LEU A 78 -7.606 5.712 -12.996 1.00 70.21 H new ATOM 0 HB3 LEU A 78 -6.062 5.868 -13.809 1.00 70.21 H new ATOM 0 HG LEU A 78 -6.115 3.767 -12.662 1.00 65.40 H new ATOM 0 HD11 LEU A 78 -4.166 3.980 -11.171 1.00 41.24 H new ATOM 0 HD12 LEU A 78 -3.967 4.937 -12.658 1.00 41.24 H new ATOM 0 HD13 LEU A 78 -4.395 5.745 -11.131 1.00 41.24 H new ATOM 0 HD21 LEU A 78 -6.412 3.601 -10.220 1.00 45.11 H new ATOM 0 HD22 LEU A 78 -6.728 5.351 -10.145 1.00 45.11 H new ATOM 0 HD23 LEU A 78 -7.852 4.281 -11.016 1.00 45.11 H new ATOM 1232 N TYR A 79 -6.567 8.532 -14.213 1.00 44.22 N ATOM 1233 CA TYR A 79 -6.143 9.457 -15.256 1.00 63.22 C ATOM 1234 C TYR A 79 -5.605 10.751 -14.651 1.00 2.11 C ATOM 1235 O TYR A 79 -4.473 11.151 -14.921 1.00 70.40 O ATOM 1236 CB TYR A 79 -7.309 9.768 -16.196 1.00 20.23 C ATOM 1237 CG TYR A 79 -6.892 9.945 -17.639 1.00 52.02 C ATOM 1238 CD1 TYR A 79 -6.135 8.978 -18.287 1.00 4.33 C ATOM 1239 CD2 TYR A 79 -7.257 11.078 -18.354 1.00 64.55 C ATOM 1240 CE1 TYR A 79 -5.751 9.135 -19.605 1.00 40.42 C ATOM 1241 CE2 TYR A 79 -6.879 11.244 -19.672 1.00 41.04 C ATOM 1242 CZ TYR A 79 -6.127 10.269 -20.293 1.00 23.25 C ATOM 1243 OH TYR A 79 -5.748 10.431 -21.606 1.00 3.54 O ATOM 0 H TYR A 79 -7.512 8.167 -14.332 1.00 44.22 H new ATOM 0 HA TYR A 79 -5.343 8.982 -15.824 1.00 63.22 H new ATOM 0 HB2 TYR A 79 -8.040 8.962 -16.134 1.00 20.23 H new ATOM 0 HB3 TYR A 79 -7.807 10.676 -15.856 1.00 20.23 H new ATOM 0 HD1 TYR A 79 -5.841 8.087 -17.751 1.00 4.33 H new ATOM 0 HD2 TYR A 79 -7.847 11.843 -17.871 1.00 64.55 H new ATOM 0 HE1 TYR A 79 -5.160 8.374 -20.093 1.00 40.42 H new ATOM 0 HE2 TYR A 79 -7.171 12.132 -20.213 1.00 41.04 H new ATOM 0 HH TYR A 79 -6.095 11.283 -21.944 1.00 3.54 H new ATOM 1253 N ASN A 80 -6.425 11.399 -13.830 1.00 14.33 N ATOM 1254 CA ASN A 80 -6.032 12.647 -13.185 1.00 14.31 C ATOM 1255 C ASN A 80 -4.676 12.503 -12.503 1.00 31.55 C ATOM 1256 O ASN A 80 -3.749 13.267 -12.774 1.00 63.04 O ATOM 1257 CB ASN A 80 -7.089 13.070 -12.162 1.00 2.42 C ATOM 1258 CG ASN A 80 -8.174 13.935 -12.775 1.00 43.52 C ATOM 1259 OD1 ASN A 80 -8.314 14.001 -13.996 1.00 73.13 O ATOM 1260 ND2 ASN A 80 -8.946 14.604 -11.927 1.00 62.10 N ATOM 0 H ASN A 80 -7.365 11.081 -13.596 1.00 14.33 H new ATOM 0 HA ASN A 80 -5.951 13.416 -13.954 1.00 14.31 H new ATOM 0 HB2 ASN A 80 -7.542 12.181 -11.723 1.00 2.42 H new ATOM 0 HB3 ASN A 80 -6.608 13.616 -11.351 1.00 2.42 H new ATOM 0 HD21 ASN A 80 -9.692 15.203 -12.280 1.00 62.10 H new ATOM 0 HD22 ASN A 80 -8.793 14.519 -10.922 1.00 62.10 H new ATOM 1267 N THR A 81 -4.566 11.519 -11.617 1.00 51.30 N ATOM 1268 CA THR A 81 -3.324 11.275 -10.895 1.00 41.01 C ATOM 1269 C THR A 81 -2.165 11.042 -11.858 1.00 3.50 C ATOM 1270 O THR A 81 -1.157 11.748 -11.814 1.00 41.25 O ATOM 1271 CB THR A 81 -3.448 10.061 -9.956 1.00 10.23 C ATOM 1272 OG1 THR A 81 -4.588 10.215 -9.104 1.00 75.11 O ATOM 1273 CG2 THR A 81 -2.194 9.900 -9.109 1.00 11.04 C ATOM 0 H THR A 81 -5.323 10.877 -11.382 1.00 51.30 H new ATOM 0 HA THR A 81 -3.125 12.166 -10.299 1.00 41.01 H new ATOM 0 HB THR A 81 -3.570 9.168 -10.569 1.00 10.23 H new ATOM 0 HG1 THR A 81 -5.400 9.974 -9.597 1.00 75.11 H new ATOM 0 HG21 THR A 81 -2.306 9.036 -8.454 1.00 11.04 H new ATOM 0 HG22 THR A 81 -1.332 9.753 -9.760 1.00 11.04 H new ATOM 0 HG23 THR A 81 -2.045 10.796 -8.506 1.00 11.04 H new ATOM 1281 N ILE A 82 -2.315 10.048 -12.727 1.00 75.43 N ATOM 1282 CA ILE A 82 -1.281 9.724 -13.702 1.00 54.00 C ATOM 1283 C ILE A 82 -0.826 10.969 -14.455 1.00 11.31 C ATOM 1284 O ILE A 82 0.370 11.198 -14.630 1.00 51.22 O ATOM 1285 CB ILE A 82 -1.773 8.674 -14.716 1.00 34.43 C ATOM 1286 CG1 ILE A 82 -2.195 7.393 -13.994 1.00 52.22 C ATOM 1287 CG2 ILE A 82 -0.688 8.379 -15.741 1.00 55.35 C ATOM 1288 CD1 ILE A 82 -3.314 6.649 -14.688 1.00 70.12 C ATOM 0 H ILE A 82 -3.142 9.453 -12.776 1.00 75.43 H new ATOM 0 HA ILE A 82 -0.439 9.312 -13.145 1.00 54.00 H new ATOM 0 HB ILE A 82 -2.641 9.075 -15.240 1.00 34.43 H new ATOM 0 HG12 ILE A 82 -1.331 6.734 -13.906 1.00 52.22 H new ATOM 0 HG13 ILE A 82 -2.510 7.643 -12.981 1.00 52.22 H new ATOM 0 HG21 ILE A 82 -1.050 7.635 -16.451 1.00 55.35 H new ATOM 0 HG22 ILE A 82 -0.432 9.295 -16.274 1.00 55.35 H new ATOM 0 HG23 ILE A 82 0.197 7.995 -15.234 1.00 55.35 H new ATOM 0 HD11 ILE A 82 -3.561 5.752 -14.121 1.00 70.12 H new ATOM 0 HD12 ILE A 82 -4.193 7.291 -14.753 1.00 70.12 H new ATOM 0 HD13 ILE A 82 -2.996 6.367 -15.692 1.00 70.12 H new ATOM 1300 N ALA A 83 -1.789 11.770 -14.898 1.00 21.33 N ATOM 1301 CA ALA A 83 -1.487 12.995 -15.630 1.00 42.34 C ATOM 1302 C ALA A 83 -0.465 13.844 -14.881 1.00 12.34 C ATOM 1303 O ALA A 83 0.488 14.351 -15.473 1.00 54.24 O ATOM 1304 CB ALA A 83 -2.760 13.791 -15.873 1.00 31.34 C ATOM 0 H ALA A 83 -2.785 11.593 -14.763 1.00 21.33 H new ATOM 0 HA ALA A 83 -1.055 12.718 -16.592 1.00 42.34 H new ATOM 0 HB1 ALA A 83 -2.520 14.703 -16.420 1.00 31.34 H new ATOM 0 HB2 ALA A 83 -3.459 13.191 -16.456 1.00 31.34 H new ATOM 0 HB3 ALA A 83 -3.215 14.051 -14.917 1.00 31.34 H new ATOM 1310 N VAL A 84 -0.670 13.995 -13.576 1.00 1.01 N ATOM 1311 CA VAL A 84 0.234 14.783 -12.746 1.00 31.15 C ATOM 1312 C VAL A 84 1.546 14.044 -12.510 1.00 70.22 C ATOM 1313 O VAL A 84 2.581 14.661 -12.253 1.00 0.34 O ATOM 1314 CB VAL A 84 -0.405 15.122 -11.387 1.00 61.24 C ATOM 1315 CG1 VAL A 84 0.519 16.014 -10.571 1.00 74.43 C ATOM 1316 CG2 VAL A 84 -1.760 15.783 -11.585 1.00 54.51 C ATOM 0 H VAL A 84 -1.454 13.582 -13.071 1.00 1.01 H new ATOM 0 HA VAL A 84 0.434 15.709 -13.285 1.00 31.15 H new ATOM 0 HB VAL A 84 -0.557 14.195 -10.835 1.00 61.24 H new ATOM 0 HG11 VAL A 84 0.051 16.244 -9.614 1.00 74.43 H new ATOM 0 HG12 VAL A 84 1.464 15.498 -10.399 1.00 74.43 H new ATOM 0 HG13 VAL A 84 0.705 16.940 -11.115 1.00 74.43 H new ATOM 0 HG21 VAL A 84 -2.197 16.015 -10.614 1.00 54.51 H new ATOM 0 HG22 VAL A 84 -1.636 16.703 -12.157 1.00 54.51 H new ATOM 0 HG23 VAL A 84 -2.420 15.105 -12.127 1.00 54.51 H new ATOM 1326 N LEU A 85 1.497 12.719 -12.598 1.00 70.34 N ATOM 1327 CA LEU A 85 2.682 11.894 -12.393 1.00 24.00 C ATOM 1328 C LEU A 85 3.597 11.942 -13.614 1.00 35.41 C ATOM 1329 O LEU A 85 4.785 11.635 -13.525 1.00 43.11 O ATOM 1330 CB LEU A 85 2.278 10.448 -12.102 1.00 61.21 C ATOM 1331 CG LEU A 85 3.245 9.643 -11.233 1.00 62.12 C ATOM 1332 CD1 LEU A 85 2.494 8.930 -10.119 1.00 21.32 C ATOM 1333 CD2 LEU A 85 4.020 8.645 -12.081 1.00 60.33 C ATOM 0 H LEU A 85 0.649 12.193 -12.810 1.00 70.34 H new ATOM 0 HA LEU A 85 3.227 12.292 -11.537 1.00 24.00 H new ATOM 0 HB2 LEU A 85 1.303 10.455 -11.615 1.00 61.21 H new ATOM 0 HB3 LEU A 85 2.156 9.928 -13.052 1.00 61.21 H new ATOM 0 HG LEU A 85 3.957 10.333 -10.780 1.00 62.12 H new ATOM 0 HD11 LEU A 85 3.198 8.362 -9.511 1.00 21.32 H new ATOM 0 HD12 LEU A 85 1.986 9.665 -9.495 1.00 21.32 H new ATOM 0 HD13 LEU A 85 1.759 8.251 -10.552 1.00 21.32 H new ATOM 0 HD21 LEU A 85 4.703 8.081 -11.446 1.00 60.33 H new ATOM 0 HD22 LEU A 85 3.323 7.959 -12.563 1.00 60.33 H new ATOM 0 HD23 LEU A 85 4.589 9.179 -12.842 1.00 60.33 H new ATOM 1345 N TYR A 86 3.034 12.332 -14.752 1.00 70.30 N ATOM 1346 CA TYR A 86 3.798 12.421 -15.991 1.00 52.21 C ATOM 1347 C TYR A 86 4.539 13.751 -16.080 1.00 12.01 C ATOM 1348 O TYR A 86 5.699 13.801 -16.490 1.00 4.21 O ATOM 1349 CB TYR A 86 2.872 12.258 -17.198 1.00 73.41 C ATOM 1350 CG TYR A 86 3.572 12.438 -18.526 1.00 11.14 C ATOM 1351 CD1 TYR A 86 4.219 11.374 -19.143 1.00 12.10 C ATOM 1352 CD2 TYR A 86 3.584 13.671 -19.166 1.00 64.23 C ATOM 1353 CE1 TYR A 86 4.860 11.533 -20.356 1.00 34.53 C ATOM 1354 CE2 TYR A 86 4.222 13.841 -20.380 1.00 43.31 C ATOM 1355 CZ TYR A 86 4.859 12.769 -20.970 1.00 53.40 C ATOM 1356 OH TYR A 86 5.495 12.932 -22.180 1.00 51.13 O ATOM 0 H TYR A 86 2.052 12.591 -14.842 1.00 70.30 H new ATOM 0 HA TYR A 86 4.533 11.616 -15.994 1.00 52.21 H new ATOM 0 HB2 TYR A 86 2.419 11.267 -17.167 1.00 73.41 H new ATOM 0 HB3 TYR A 86 2.061 12.982 -17.123 1.00 73.41 H new ATOM 0 HD1 TYR A 86 4.221 10.405 -18.665 1.00 12.10 H new ATOM 0 HD2 TYR A 86 3.086 14.512 -18.706 1.00 64.23 H new ATOM 0 HE1 TYR A 86 5.359 10.696 -20.821 1.00 34.53 H new ATOM 0 HE2 TYR A 86 4.222 14.807 -20.864 1.00 43.31 H new ATOM 0 HH TYR A 86 5.400 13.861 -22.477 1.00 51.13 H new ATOM 1366 N CYS A 87 3.861 14.826 -15.694 1.00 41.32 N ATOM 1367 CA CYS A 87 4.454 16.158 -15.730 1.00 50.14 C ATOM 1368 C CYS A 87 5.664 16.239 -14.805 1.00 33.11 C ATOM 1369 O CYS A 87 6.524 17.105 -14.966 1.00 3.05 O ATOM 1370 CB CYS A 87 3.419 17.210 -15.328 1.00 2.05 C ATOM 1371 SG CYS A 87 3.137 17.327 -13.547 1.00 41.33 S ATOM 0 H CYS A 87 2.900 14.801 -15.352 1.00 41.32 H new ATOM 0 HA CYS A 87 4.785 16.355 -16.750 1.00 50.14 H new ATOM 0 HB2 CYS A 87 3.743 18.183 -15.698 1.00 2.05 H new ATOM 0 HB3 CYS A 87 2.474 16.981 -15.820 1.00 2.05 H new ATOM 0 HG CYS A 87 2.820 16.156 -13.080 1.00 41.33 H new ATOM 1377 N VAL A 88 5.723 15.332 -13.835 1.00 25.42 N ATOM 1378 CA VAL A 88 6.828 15.302 -12.883 1.00 11.23 C ATOM 1379 C VAL A 88 8.089 14.734 -13.524 1.00 20.32 C ATOM 1380 O VAL A 88 9.202 15.161 -13.214 1.00 10.51 O ATOM 1381 CB VAL A 88 6.475 14.463 -11.641 1.00 13.22 C ATOM 1382 CG1 VAL A 88 7.638 14.444 -10.662 1.00 41.52 C ATOM 1383 CG2 VAL A 88 5.216 15.000 -10.976 1.00 31.41 C ATOM 0 H VAL A 88 5.019 14.609 -13.687 1.00 25.42 H new ATOM 0 HA VAL A 88 7.011 16.332 -12.577 1.00 11.23 H new ATOM 0 HB VAL A 88 6.282 13.438 -11.959 1.00 13.22 H new ATOM 0 HG11 VAL A 88 7.370 13.846 -9.791 1.00 41.52 H new ATOM 0 HG12 VAL A 88 8.513 14.009 -11.145 1.00 41.52 H new ATOM 0 HG13 VAL A 88 7.866 15.463 -10.347 1.00 41.52 H new ATOM 0 HG21 VAL A 88 4.981 14.395 -10.100 1.00 31.41 H new ATOM 0 HG22 VAL A 88 5.378 16.034 -10.670 1.00 31.41 H new ATOM 0 HG23 VAL A 88 4.385 14.956 -11.681 1.00 31.41 H new ATOM 1393 N HIS A 89 7.908 13.769 -14.420 1.00 5.53 N ATOM 1394 CA HIS A 89 9.033 13.142 -15.108 1.00 71.11 C ATOM 1395 C HIS A 89 9.429 13.945 -16.343 1.00 1.00 C ATOM 1396 O HIS A 89 10.627 14.169 -16.511 1.00 12.12 O ATOM 1397 CB HIS A 89 8.679 11.709 -15.509 1.00 74.41 C ATOM 1398 CG HIS A 89 8.412 10.810 -14.341 1.00 4.00 C ATOM 1399 ND1 HIS A 89 9.225 10.760 -13.229 1.00 55.32 N ATOM 1400 CD2 HIS A 89 7.414 9.923 -14.116 1.00 25.02 C ATOM 1401 CE1 HIS A 89 8.740 9.879 -12.371 1.00 35.22 C ATOM 1402 NE2 HIS A 89 7.640 9.358 -12.886 1.00 70.51 N ATOM 0 H HIS A 89 6.994 13.404 -14.687 1.00 5.53 H new ATOM 0 HA HIS A 89 9.880 13.120 -14.423 1.00 71.11 H new ATOM 0 HB2 HIS A 89 7.799 11.727 -16.152 1.00 74.41 H new ATOM 0 HB3 HIS A 89 9.496 11.293 -16.098 1.00 74.41 H new ATOM 0 HD1 HIS A 89 10.069 11.316 -13.090 1.00 55.32 H new ATOM 0 HD2 HIS A 89 6.593 9.701 -14.781 1.00 25.02 H new ATOM 0 HE1 HIS A 89 9.170 9.628 -11.412 1.00 35.22 H new ATOM 0 HE2 HIS A 89 7.054 8.651 -12.442 1.00 70.51 H new ATOM 1411 N GLN A 90 8.488 14.368 -17.182 1.00 22.41 N ATOM 1412 CA GLN A 90 8.820 15.137 -18.375 1.00 33.11 C ATOM 1413 C GLN A 90 9.168 16.578 -18.015 1.00 33.05 C ATOM 1414 O GLN A 90 9.519 17.378 -18.883 1.00 41.12 O ATOM 1415 CB GLN A 90 7.652 15.114 -19.364 1.00 64.45 C ATOM 1416 CG GLN A 90 7.970 14.391 -20.663 1.00 30.12 C ATOM 1417 CD GLN A 90 9.016 15.111 -21.491 1.00 3.51 C ATOM 1418 OE1 GLN A 90 10.056 14.543 -21.828 1.00 50.42 O ATOM 1419 NE2 GLN A 90 8.747 16.367 -21.823 1.00 33.22 N ATOM 0 H GLN A 90 7.491 14.191 -17.057 1.00 22.41 H new ATOM 0 HA GLN A 90 9.691 14.678 -18.841 1.00 33.11 H new ATOM 0 HB2 GLN A 90 6.795 14.634 -18.891 1.00 64.45 H new ATOM 0 HB3 GLN A 90 7.358 16.139 -19.591 1.00 64.45 H new ATOM 0 HG2 GLN A 90 8.321 13.384 -20.437 1.00 30.12 H new ATOM 0 HG3 GLN A 90 7.057 14.287 -21.249 1.00 30.12 H new ATOM 0 HE21 GLN A 90 7.873 16.798 -21.522 1.00 33.22 H new ATOM 0 HE22 GLN A 90 9.414 16.902 -22.379 1.00 33.22 H new ATOM 1428 N ARG A 91 9.067 16.903 -16.730 1.00 14.05 N ATOM 1429 CA ARG A 91 9.369 18.248 -16.256 1.00 42.44 C ATOM 1430 C ARG A 91 8.390 19.263 -16.839 1.00 1.42 C ATOM 1431 O ARG A 91 8.791 20.331 -17.301 1.00 61.23 O ATOM 1432 CB ARG A 91 10.802 18.633 -16.629 1.00 21.03 C ATOM 1433 CG ARG A 91 11.821 17.541 -16.344 1.00 55.03 C ATOM 1434 CD ARG A 91 13.234 18.100 -16.278 1.00 55.23 C ATOM 1435 NE ARG A 91 14.018 17.480 -15.213 1.00 35.02 N ATOM 1436 CZ ARG A 91 15.340 17.575 -15.125 1.00 42.45 C ATOM 1437 NH1 ARG A 91 16.021 18.260 -16.032 1.00 1.13 N ATOM 1438 NH2 ARG A 91 15.983 16.983 -14.126 1.00 72.30 N ATOM 0 H ARG A 91 8.778 16.253 -15.999 1.00 14.05 H new ATOM 0 HA ARG A 91 9.269 18.255 -15.171 1.00 42.44 H new ATOM 0 HB2 ARG A 91 10.837 18.883 -17.689 1.00 21.03 H new ATOM 0 HB3 ARG A 91 11.082 19.532 -16.080 1.00 21.03 H new ATOM 0 HG2 ARG A 91 11.578 17.052 -15.401 1.00 55.03 H new ATOM 0 HG3 ARG A 91 11.766 16.779 -17.121 1.00 55.03 H new ATOM 0 HD2 ARG A 91 13.732 17.941 -17.234 1.00 55.23 H new ATOM 0 HD3 ARG A 91 13.191 19.177 -16.116 1.00 55.23 H new ATOM 0 HE ARG A 91 13.524 16.945 -14.499 1.00 35.02 H new ATOM 0 HH11 ARG A 91 15.530 18.716 -16.801 1.00 1.13 H new ATOM 0 HH12 ARG A 91 17.036 18.331 -15.961 1.00 1.13 H new ATOM 0 HH21 ARG A 91 15.462 16.455 -13.426 1.00 72.30 H new ATOM 0 HH22 ARG A 91 16.998 17.056 -14.059 1.00 72.30 H new ATOM 1452 N ILE A 92 7.107 18.921 -16.814 1.00 1.42 N ATOM 1453 CA ILE A 92 6.072 19.802 -17.339 1.00 12.22 C ATOM 1454 C ILE A 92 5.441 20.632 -16.227 1.00 53.40 C ATOM 1455 O ILE A 92 4.697 20.112 -15.396 1.00 43.55 O ATOM 1456 CB ILE A 92 4.968 19.006 -18.060 1.00 73.34 C ATOM 1457 CG1 ILE A 92 5.554 18.235 -19.245 1.00 64.45 C ATOM 1458 CG2 ILE A 92 3.860 19.939 -18.525 1.00 70.21 C ATOM 1459 CD1 ILE A 92 4.690 17.082 -19.703 1.00 52.12 C ATOM 0 H ILE A 92 6.759 18.040 -16.436 1.00 1.42 H new ATOM 0 HA ILE A 92 6.556 20.466 -18.055 1.00 12.22 H new ATOM 0 HB ILE A 92 4.542 18.288 -17.359 1.00 73.34 H new ATOM 0 HG12 ILE A 92 5.700 18.922 -20.078 1.00 64.45 H new ATOM 0 HG13 ILE A 92 6.537 17.854 -18.970 1.00 64.45 H new ATOM 0 HG21 ILE A 92 3.087 19.362 -19.033 1.00 70.21 H new ATOM 0 HG22 ILE A 92 3.426 20.447 -17.663 1.00 70.21 H new ATOM 0 HG23 ILE A 92 4.271 20.678 -19.213 1.00 70.21 H new ATOM 0 HD11 ILE A 92 5.168 16.582 -20.545 1.00 52.12 H new ATOM 0 HD12 ILE A 92 4.564 16.374 -18.884 1.00 52.12 H new ATOM 0 HD13 ILE A 92 3.714 17.458 -20.010 1.00 52.12 H new ATOM 1471 N ASP A 93 5.740 21.926 -16.219 1.00 3.02 N ATOM 1472 CA ASP A 93 5.200 22.830 -15.211 1.00 62.41 C ATOM 1473 C ASP A 93 3.676 22.779 -15.196 1.00 32.53 C ATOM 1474 O ASP A 93 3.032 22.835 -16.245 1.00 43.25 O ATOM 1475 CB ASP A 93 5.673 24.261 -15.472 1.00 12.14 C ATOM 1476 CG ASP A 93 6.831 24.661 -14.579 1.00 74.45 C ATOM 1477 OD1 ASP A 93 6.611 24.825 -13.360 1.00 54.44 O ATOM 1478 OD2 ASP A 93 7.956 24.811 -15.098 1.00 61.21 O ATOM 0 H ASP A 93 6.354 22.373 -16.900 1.00 3.02 H new ATOM 0 HA ASP A 93 5.566 22.508 -14.236 1.00 62.41 H new ATOM 0 HB2 ASP A 93 5.973 24.357 -16.516 1.00 12.14 H new ATOM 0 HB3 ASP A 93 4.842 24.949 -15.315 1.00 12.14 H new ATOM 1483 N VAL A 94 3.104 22.672 -14.001 1.00 72.33 N ATOM 1484 CA VAL A 94 1.654 22.614 -13.849 1.00 23.13 C ATOM 1485 C VAL A 94 1.209 23.300 -12.563 1.00 15.25 C ATOM 1486 O VAL A 94 1.742 23.032 -11.487 1.00 65.32 O ATOM 1487 CB VAL A 94 1.149 21.160 -13.845 1.00 55.21 C ATOM 1488 CG1 VAL A 94 1.443 20.488 -15.178 1.00 14.12 C ATOM 1489 CG2 VAL A 94 1.775 20.382 -12.697 1.00 14.41 C ATOM 0 H VAL A 94 3.622 22.624 -13.124 1.00 72.33 H new ATOM 0 HA VAL A 94 1.224 23.137 -14.703 1.00 23.13 H new ATOM 0 HB VAL A 94 0.069 21.170 -13.701 1.00 55.21 H new ATOM 0 HG11 VAL A 94 1.079 19.461 -15.156 1.00 14.12 H new ATOM 0 HG12 VAL A 94 0.943 21.033 -15.978 1.00 14.12 H new ATOM 0 HG13 VAL A 94 2.518 20.488 -15.356 1.00 14.12 H new ATOM 0 HG21 VAL A 94 1.407 19.356 -12.709 1.00 14.41 H new ATOM 0 HG22 VAL A 94 2.859 20.380 -12.808 1.00 14.41 H new ATOM 0 HG23 VAL A 94 1.508 20.852 -11.751 1.00 14.41 H new ATOM 1499 N LYS A 95 0.225 24.185 -12.682 1.00 73.42 N ATOM 1500 CA LYS A 95 -0.296 24.910 -11.529 1.00 53.02 C ATOM 1501 C LYS A 95 -1.199 24.014 -10.686 1.00 15.12 C ATOM 1502 O LYS A 95 -1.550 24.356 -9.556 1.00 24.12 O ATOM 1503 CB LYS A 95 -1.070 26.149 -11.985 1.00 2.52 C ATOM 1504 CG LYS A 95 -1.359 27.133 -10.865 1.00 41.11 C ATOM 1505 CD LYS A 95 -0.093 27.832 -10.397 1.00 53.01 C ATOM 1506 CE LYS A 95 -0.388 29.234 -9.887 1.00 61.31 C ATOM 1507 NZ LYS A 95 -0.612 30.194 -11.003 1.00 24.11 N ATOM 0 H LYS A 95 -0.228 24.418 -13.566 1.00 73.42 H new ATOM 0 HA LYS A 95 0.549 25.224 -10.917 1.00 53.02 H new ATOM 0 HB2 LYS A 95 -0.501 26.656 -12.764 1.00 2.52 H new ATOM 0 HB3 LYS A 95 -2.013 25.834 -12.432 1.00 2.52 H new ATOM 0 HG2 LYS A 95 -2.080 27.875 -11.208 1.00 41.11 H new ATOM 0 HG3 LYS A 95 -1.817 26.608 -10.027 1.00 41.11 H new ATOM 0 HD2 LYS A 95 0.376 27.247 -9.606 1.00 53.01 H new ATOM 0 HD3 LYS A 95 0.620 27.885 -11.220 1.00 53.01 H new ATOM 0 HE2 LYS A 95 -1.270 29.209 -9.246 1.00 61.31 H new ATOM 0 HE3 LYS A 95 0.443 29.579 -9.272 1.00 61.31 H new ATOM 0 HZ1 LYS A 95 -0.709 31.156 -10.619 1.00 24.11 H new ATOM 0 HZ2 LYS A 95 0.197 30.162 -11.656 1.00 24.11 H new ATOM 0 HZ3 LYS A 95 -1.480 29.936 -11.514 1.00 24.11 H new ATOM 1521 N ASP A 96 -1.574 22.867 -11.244 1.00 64.43 N ATOM 1522 CA ASP A 96 -2.434 21.922 -10.544 1.00 73.35 C ATOM 1523 C ASP A 96 -2.815 20.758 -11.451 1.00 14.34 C ATOM 1524 O ASP A 96 -2.342 20.659 -12.584 1.00 4.53 O ATOM 1525 CB ASP A 96 -3.696 22.625 -10.040 1.00 53.34 C ATOM 1526 CG ASP A 96 -4.288 23.564 -11.073 1.00 53.41 C ATOM 1527 OD1 ASP A 96 -4.720 23.076 -12.138 1.00 22.51 O ATOM 1528 OD2 ASP A 96 -4.320 24.784 -10.815 1.00 71.43 O ATOM 0 H ASP A 96 -1.295 22.570 -12.179 1.00 64.43 H new ATOM 0 HA ASP A 96 -1.880 21.529 -9.691 1.00 73.35 H new ATOM 0 HB2 ASP A 96 -4.440 21.877 -9.765 1.00 53.34 H new ATOM 0 HB3 ASP A 96 -3.459 23.187 -9.136 1.00 53.34 H new ATOM 1533 N THR A 97 -3.673 19.875 -10.947 1.00 32.04 N ATOM 1534 CA THR A 97 -4.115 18.716 -11.712 1.00 73.30 C ATOM 1535 C THR A 97 -5.034 19.130 -12.856 1.00 64.22 C ATOM 1536 O THR A 97 -5.399 18.311 -13.701 1.00 43.14 O ATOM 1537 CB THR A 97 -4.852 17.702 -10.818 1.00 2.12 C ATOM 1538 OG1 THR A 97 -4.068 17.413 -9.655 1.00 70.43 O ATOM 1539 CG2 THR A 97 -5.133 16.414 -11.578 1.00 44.11 C ATOM 0 H THR A 97 -4.075 19.941 -10.012 1.00 32.04 H new ATOM 0 HA THR A 97 -3.220 18.247 -12.121 1.00 73.30 H new ATOM 0 HB THR A 97 -5.802 18.142 -10.515 1.00 2.12 H new ATOM 0 HG1 THR A 97 -3.989 16.442 -9.547 1.00 70.43 H new ATOM 0 HG21 THR A 97 -5.654 15.713 -10.926 1.00 44.11 H new ATOM 0 HG22 THR A 97 -5.754 16.632 -12.447 1.00 44.11 H new ATOM 0 HG23 THR A 97 -4.192 15.973 -11.907 1.00 44.11 H new ATOM 1547 N LYS A 98 -5.405 20.406 -12.879 1.00 11.21 N ATOM 1548 CA LYS A 98 -6.280 20.929 -13.921 1.00 64.33 C ATOM 1549 C LYS A 98 -5.468 21.441 -15.107 1.00 70.00 C ATOM 1550 O LYS A 98 -5.854 21.255 -16.260 1.00 50.02 O ATOM 1551 CB LYS A 98 -7.153 22.056 -13.363 1.00 74.34 C ATOM 1552 CG LYS A 98 -8.594 22.002 -13.840 1.00 44.50 C ATOM 1553 CD LYS A 98 -9.482 21.266 -12.850 1.00 11.43 C ATOM 1554 CE LYS A 98 -10.664 22.119 -12.420 1.00 21.12 C ATOM 1555 NZ LYS A 98 -11.099 21.805 -11.031 1.00 33.00 N ATOM 0 H LYS A 98 -5.113 21.097 -12.188 1.00 11.21 H new ATOM 0 HA LYS A 98 -6.920 20.117 -14.265 1.00 64.33 H new ATOM 0 HB2 LYS A 98 -7.138 22.011 -12.274 1.00 74.34 H new ATOM 0 HB3 LYS A 98 -6.720 23.015 -13.649 1.00 74.34 H new ATOM 0 HG2 LYS A 98 -8.969 23.015 -13.983 1.00 44.50 H new ATOM 0 HG3 LYS A 98 -8.639 21.506 -14.809 1.00 44.50 H new ATOM 0 HD2 LYS A 98 -9.844 20.342 -13.301 1.00 11.43 H new ATOM 0 HD3 LYS A 98 -8.897 20.985 -11.974 1.00 11.43 H new ATOM 0 HE2 LYS A 98 -10.394 23.173 -12.486 1.00 21.12 H new ATOM 0 HE3 LYS A 98 -11.496 21.959 -13.106 1.00 21.12 H new ATOM 0 HZ1 LYS A 98 -11.473 22.665 -10.582 1.00 33.00 H new ATOM 0 HZ2 LYS A 98 -11.841 21.077 -11.056 1.00 33.00 H new ATOM 0 HZ3 LYS A 98 -10.287 21.454 -10.484 1.00 33.00 H new ATOM 1569 N GLU A 99 -4.342 22.084 -14.815 1.00 64.45 N ATOM 1570 CA GLU A 99 -3.477 22.621 -15.858 1.00 1.02 C ATOM 1571 C GLU A 99 -2.554 21.538 -16.410 1.00 10.21 C ATOM 1572 O GLU A 99 -1.971 21.693 -17.482 1.00 4.14 O ATOM 1573 CB GLU A 99 -2.646 23.785 -15.314 1.00 35.31 C ATOM 1574 CG GLU A 99 -3.081 25.142 -15.842 1.00 24.21 C ATOM 1575 CD GLU A 99 -2.075 25.742 -16.806 1.00 53.40 C ATOM 1576 OE1 GLU A 99 -1.019 26.219 -16.341 1.00 11.34 O ATOM 1577 OE2 GLU A 99 -2.346 25.735 -18.025 1.00 14.42 O ATOM 0 H GLU A 99 -4.008 22.246 -13.865 1.00 64.45 H new ATOM 0 HA GLU A 99 -4.110 22.983 -16.668 1.00 1.02 H new ATOM 0 HB2 GLU A 99 -2.711 23.790 -14.226 1.00 35.31 H new ATOM 0 HB3 GLU A 99 -1.599 23.624 -15.570 1.00 35.31 H new ATOM 0 HG2 GLU A 99 -4.044 25.041 -16.343 1.00 24.21 H new ATOM 0 HG3 GLU A 99 -3.228 25.824 -15.004 1.00 24.21 H new ATOM 1584 N ALA A 100 -2.428 20.442 -15.670 1.00 74.15 N ATOM 1585 CA ALA A 100 -1.578 19.333 -16.085 1.00 75.31 C ATOM 1586 C ALA A 100 -2.266 18.484 -17.148 1.00 11.21 C ATOM 1587 O ALA A 100 -1.611 17.919 -18.026 1.00 44.10 O ATOM 1588 CB ALA A 100 -1.203 18.478 -14.884 1.00 4.41 C ATOM 0 H ALA A 100 -2.904 20.298 -14.779 1.00 74.15 H new ATOM 0 HA ALA A 100 -0.668 19.746 -16.520 1.00 75.31 H new ATOM 0 HB1 ALA A 100 -0.568 17.653 -15.208 1.00 4.41 H new ATOM 0 HB2 ALA A 100 -0.664 19.087 -14.158 1.00 4.41 H new ATOM 0 HB3 ALA A 100 -2.108 18.080 -14.424 1.00 4.41 H new ATOM 1594 N LEU A 101 -3.589 18.395 -17.064 1.00 64.44 N ATOM 1595 CA LEU A 101 -4.365 17.613 -18.019 1.00 10.23 C ATOM 1596 C LEU A 101 -4.572 18.388 -19.317 1.00 13.34 C ATOM 1597 O LEU A 101 -4.900 17.807 -20.352 1.00 34.31 O ATOM 1598 CB LEU A 101 -5.719 17.234 -17.417 1.00 52.51 C ATOM 1599 CG LEU A 101 -5.789 15.871 -16.727 1.00 3.30 C ATOM 1600 CD1 LEU A 101 -7.126 15.697 -16.024 1.00 44.34 C ATOM 1601 CD2 LEU A 101 -5.564 14.752 -17.733 1.00 70.01 C ATOM 0 H LEU A 101 -4.146 18.855 -16.344 1.00 64.44 H new ATOM 0 HA LEU A 101 -3.807 16.704 -18.245 1.00 10.23 H new ATOM 0 HB2 LEU A 101 -6.000 18.000 -16.694 1.00 52.51 H new ATOM 0 HB3 LEU A 101 -6.466 17.256 -18.211 1.00 52.51 H new ATOM 0 HG LEU A 101 -4.999 15.823 -15.978 1.00 3.30 H new ATOM 0 HD11 LEU A 101 -7.158 14.721 -15.539 1.00 44.34 H new ATOM 0 HD12 LEU A 101 -7.248 16.479 -15.275 1.00 44.34 H new ATOM 0 HD13 LEU A 101 -7.933 15.765 -16.754 1.00 44.34 H new ATOM 0 HD21 LEU A 101 -5.617 13.789 -17.224 1.00 70.01 H new ATOM 0 HD22 LEU A 101 -6.332 14.797 -18.505 1.00 70.01 H new ATOM 0 HD23 LEU A 101 -4.582 14.867 -18.191 1.00 70.01 H new ATOM 1613 N ASP A 102 -4.375 19.700 -19.254 1.00 2.14 N ATOM 1614 CA ASP A 102 -4.536 20.554 -20.425 1.00 13.33 C ATOM 1615 C ASP A 102 -3.228 20.667 -21.200 1.00 50.21 C ATOM 1616 O ASP A 102 -3.225 20.729 -22.430 1.00 21.40 O ATOM 1617 CB ASP A 102 -5.017 21.944 -20.006 1.00 40.13 C ATOM 1618 CG ASP A 102 -5.945 22.569 -21.028 1.00 32.14 C ATOM 1619 OD1 ASP A 102 -5.774 22.290 -22.234 1.00 72.50 O ATOM 1620 OD2 ASP A 102 -6.844 23.335 -20.624 1.00 65.53 O ATOM 0 H ASP A 102 -4.104 20.195 -18.405 1.00 2.14 H new ATOM 0 HA ASP A 102 -5.284 20.100 -21.075 1.00 13.33 H new ATOM 0 HB2 ASP A 102 -5.532 21.873 -19.048 1.00 40.13 H new ATOM 0 HB3 ASP A 102 -4.155 22.594 -19.857 1.00 40.13 H new ATOM 1625 N LYS A 103 -2.116 20.693 -20.473 1.00 62.32 N ATOM 1626 CA LYS A 103 -0.799 20.798 -21.091 1.00 31.31 C ATOM 1627 C LYS A 103 -0.386 19.471 -21.721 1.00 73.31 C ATOM 1628 O LYS A 103 0.362 19.444 -22.698 1.00 30.35 O ATOM 1629 CB LYS A 103 0.241 21.228 -20.054 1.00 41.04 C ATOM 1630 CG LYS A 103 1.330 22.123 -20.620 1.00 52.32 C ATOM 1631 CD LYS A 103 0.941 23.590 -20.544 1.00 43.24 C ATOM 1632 CE LYS A 103 2.136 24.466 -20.198 1.00 4.23 C ATOM 1633 NZ LYS A 103 2.975 24.757 -21.393 1.00 30.02 N ATOM 0 H LYS A 103 -2.100 20.643 -19.454 1.00 62.32 H new ATOM 0 HA LYS A 103 -0.853 21.552 -21.877 1.00 31.31 H new ATOM 0 HB2 LYS A 103 -0.263 21.752 -19.242 1.00 41.04 H new ATOM 0 HB3 LYS A 103 0.701 20.339 -19.623 1.00 41.04 H new ATOM 0 HG2 LYS A 103 2.257 21.962 -20.070 1.00 52.32 H new ATOM 0 HG3 LYS A 103 1.524 21.850 -21.657 1.00 52.32 H new ATOM 0 HD2 LYS A 103 0.521 23.906 -21.499 1.00 43.24 H new ATOM 0 HD3 LYS A 103 0.162 23.723 -19.793 1.00 43.24 H new ATOM 0 HE2 LYS A 103 1.786 25.402 -19.763 1.00 4.23 H new ATOM 0 HE3 LYS A 103 2.743 23.970 -19.440 1.00 4.23 H new ATOM 0 HZ1 LYS A 103 3.779 25.356 -21.115 1.00 30.02 H new ATOM 0 HZ2 LYS A 103 3.330 23.865 -21.793 1.00 30.02 H new ATOM 0 HZ3 LYS A 103 2.403 25.253 -22.106 1.00 30.02 H new ATOM 1647 N ILE A 104 -0.879 18.375 -21.155 1.00 41.12 N ATOM 1648 CA ILE A 104 -0.562 17.046 -21.664 1.00 32.10 C ATOM 1649 C ILE A 104 -1.087 16.861 -23.084 1.00 64.33 C ATOM 1650 O ILE A 104 -0.537 16.083 -23.862 1.00 0.24 O ATOM 1651 CB ILE A 104 -1.152 15.944 -20.764 1.00 54.21 C ATOM 1652 CG1 ILE A 104 -0.550 14.585 -21.125 1.00 54.41 C ATOM 1653 CG2 ILE A 104 -2.668 15.909 -20.894 1.00 42.44 C ATOM 1654 CD1 ILE A 104 0.083 13.872 -19.949 1.00 74.12 C ATOM 0 H ILE A 104 -1.499 18.380 -20.345 1.00 41.12 H new ATOM 0 HA ILE A 104 0.525 16.960 -21.667 1.00 32.10 H new ATOM 0 HB ILE A 104 -0.901 16.168 -19.727 1.00 54.21 H new ATOM 0 HG12 ILE A 104 -1.330 13.951 -21.546 1.00 54.41 H new ATOM 0 HG13 ILE A 104 0.201 14.725 -21.902 1.00 54.41 H new ATOM 0 HG21 ILE A 104 -3.070 15.125 -20.252 1.00 42.44 H new ATOM 0 HG22 ILE A 104 -3.081 16.872 -20.594 1.00 42.44 H new ATOM 0 HG23 ILE A 104 -2.940 15.705 -21.930 1.00 42.44 H new ATOM 0 HD11 ILE A 104 0.489 12.916 -20.279 1.00 74.12 H new ATOM 0 HD12 ILE A 104 0.886 14.486 -19.541 1.00 74.12 H new ATOM 0 HD13 ILE A 104 -0.670 13.701 -19.179 1.00 74.12 H new