USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 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 67 ASN :FLIP amide:sc=-0.000745 F(o=-0.78,f=-0.00074) USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= 0 X(o=-0.058,f=-0.00074) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 THR OG1 : rot -140:sc= 1.36 USER MOD Set 3.2: A 31 SER OG : rot 180:sc= 0.968 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0557 (180deg=0) USER MOD Single : A 2 SER OG : rot -2:sc= 0.183 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 2:sc= 1.1 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 81:sc= 0.00517 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc=-0.00821 K(o=-0.0082,f=-0.78) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.279 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.11) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -124:sc= 2.11 USER MOD Single : A 56 GLN : amide:sc= -0.0547 K(o=-0.055,f=-1.4!) USER MOD Single : A 57 SER OG : rot -42:sc= 0.0184 USER MOD Single : A 59 SER OG : rot 171:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.89) USER MOD Single : A 61 SER OG : rot 70:sc= 0.171 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.946! X(o=-0.95!,f=-1) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.434 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -173:sc=-0.00557 (180deg=-0.0914) USER MOD Single : A 93 ASN : amide:sc= -0.322 K(o=-0.32,f=-7!) USER MOD Single : A 95 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.5) USER MOD Single : A 98 SER OG : rot 71:sc= 1.84 USER MOD Single : A 101 SER OG : rot 45:sc= 0.508 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 65:sc= 0.969 USER MOD Single : A 109 THR OG1 : rot -167:sc= 1.7 USER MOD Single : A 110 GLN : amide:sc= 0.604 K(o=0.6,f=-0.19) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.805 -4.593 11.485 1.00 0.00 N ATOM 2 CA GLY A 1 10.139 -4.808 12.063 1.00 0.00 C ATOM 3 C GLY A 1 10.154 -5.941 13.079 1.00 0.00 C ATOM 4 O GLY A 1 9.108 -6.367 13.575 1.00 0.00 O ATOM 0 H1 GLY A 1 8.810 -4.876 10.484 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.106 -5.163 12.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.553 -3.587 11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.847 -5.030 11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.477 -3.889 12.542 1.00 0.00 H new ATOM 8 N SER A 2 11.339 -6.457 13.399 1.00 0.00 N ATOM 9 CA SER A 2 11.636 -7.277 14.579 1.00 0.00 C ATOM 10 C SER A 2 13.021 -6.950 15.171 1.00 0.00 C ATOM 11 O SER A 2 13.456 -7.627 16.106 1.00 0.00 O ATOM 12 CB SER A 2 11.531 -8.768 14.237 1.00 0.00 C ATOM 13 OG SER A 2 10.237 -9.074 13.749 1.00 0.00 O ATOM 0 H SER A 2 12.162 -6.309 12.815 1.00 0.00 H new ATOM 0 HA SER A 2 10.893 -7.039 15.340 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.280 -9.029 13.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.743 -9.366 15.123 1.00 0.00 H new ATOM 0 HG SER A 2 9.679 -8.269 13.774 1.00 0.00 H new ATOM 19 N SER A 3 13.737 -5.957 14.634 1.00 0.00 N ATOM 20 CA SER A 3 15.006 -5.476 15.140 1.00 0.00 C ATOM 21 C SER A 3 15.053 -3.973 14.846 1.00 0.00 C ATOM 22 O SER A 3 15.510 -3.559 13.780 1.00 0.00 O ATOM 23 CB SER A 3 16.134 -6.284 14.478 1.00 0.00 C ATOM 24 OG SER A 3 17.317 -6.232 15.246 1.00 0.00 O ATOM 0 H SER A 3 13.428 -5.453 13.803 1.00 0.00 H new ATOM 0 HA SER A 3 15.130 -5.612 16.214 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.820 -7.321 14.358 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.328 -5.892 13.479 1.00 0.00 H new ATOM 0 HG SER A 3 18.018 -6.755 14.803 1.00 0.00 H new ATOM 30 N GLY A 4 14.541 -3.156 15.765 1.00 0.00 N ATOM 31 CA GLY A 4 14.378 -1.722 15.580 1.00 0.00 C ATOM 32 C GLY A 4 12.980 -1.459 15.036 1.00 0.00 C ATOM 33 O GLY A 4 12.610 -1.984 13.985 1.00 0.00 O ATOM 0 H GLY A 4 14.222 -3.483 16.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.520 -1.200 16.526 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.131 -1.342 14.889 1.00 0.00 H new ATOM 37 N SER A 5 12.149 -0.718 15.765 1.00 0.00 N ATOM 38 CA SER A 5 10.785 -0.360 15.377 1.00 0.00 C ATOM 39 C SER A 5 10.346 0.901 16.124 1.00 0.00 C ATOM 40 O SER A 5 9.227 0.971 16.645 1.00 0.00 O ATOM 41 CB SER A 5 9.848 -1.544 15.648 1.00 0.00 C ATOM 42 OG SER A 5 10.122 -2.586 14.727 1.00 0.00 O ATOM 0 H SER A 5 12.415 -0.337 16.673 1.00 0.00 H new ATOM 0 HA SER A 5 10.745 -0.139 14.310 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.983 -1.902 16.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.809 -1.227 15.556 1.00 0.00 H new ATOM 0 HG SER A 5 10.864 -2.321 14.144 1.00 0.00 H new ATOM 48 N SER A 6 11.221 1.900 16.204 1.00 0.00 N ATOM 49 CA SER A 6 10.969 3.139 16.928 1.00 0.00 C ATOM 50 C SER A 6 11.646 4.309 16.201 1.00 0.00 C ATOM 51 O SER A 6 12.456 4.113 15.287 1.00 0.00 O ATOM 52 CB SER A 6 11.416 2.954 18.390 1.00 0.00 C ATOM 53 OG SER A 6 12.657 2.274 18.487 1.00 0.00 O ATOM 0 H SER A 6 12.139 1.869 15.760 1.00 0.00 H new ATOM 0 HA SER A 6 9.907 3.384 16.953 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.499 3.929 18.869 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.654 2.396 18.934 1.00 0.00 H new ATOM 0 HG SER A 6 12.905 2.179 19.430 1.00 0.00 H new ATOM 59 N GLY A 7 11.294 5.533 16.590 1.00 0.00 N ATOM 60 CA GLY A 7 11.641 6.754 15.883 1.00 0.00 C ATOM 61 C GLY A 7 10.976 6.715 14.516 1.00 0.00 C ATOM 62 O GLY A 7 9.799 6.358 14.413 1.00 0.00 O ATOM 0 H GLY A 7 10.743 5.702 17.432 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.306 7.627 16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.723 6.838 15.778 1.00 0.00 H new ATOM 66 N LYS A 8 11.721 7.066 13.473 1.00 0.00 N ATOM 67 CA LYS A 8 11.324 6.868 12.088 1.00 0.00 C ATOM 68 C LYS A 8 12.555 6.440 11.297 1.00 0.00 C ATOM 69 O LYS A 8 13.670 6.552 11.828 1.00 0.00 O ATOM 70 CB LYS A 8 10.691 8.177 11.591 1.00 0.00 C ATOM 71 CG LYS A 8 9.682 7.937 10.469 1.00 0.00 C ATOM 72 CD LYS A 8 8.745 9.128 10.237 1.00 0.00 C ATOM 73 CE LYS A 8 7.544 8.643 9.415 1.00 0.00 C ATOM 74 NZ LYS A 8 6.393 9.567 9.503 1.00 0.00 N ATOM 0 H LYS A 8 12.636 7.505 13.572 1.00 0.00 H new ATOM 0 HA LYS A 8 10.580 6.081 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.196 8.678 12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.475 8.847 11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.219 7.720 9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.087 7.055 10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.412 9.540 11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.268 9.926 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.841 8.534 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.242 7.656 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.607 9.197 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.091 9.652 10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.671 10.503 9.145 1.00 0.00 H new ATOM 88 N ASN A 9 12.407 5.951 10.066 1.00 0.00 N ATOM 89 CA ASN A 9 13.535 5.815 9.145 1.00 0.00 C ATOM 90 C ASN A 9 13.033 5.840 7.704 1.00 0.00 C ATOM 91 O ASN A 9 12.011 5.226 7.394 1.00 0.00 O ATOM 92 CB ASN A 9 14.326 4.520 9.397 1.00 0.00 C ATOM 93 CG ASN A 9 15.624 4.508 8.599 1.00 0.00 C ATOM 94 OD1 ASN A 9 16.136 5.552 8.206 1.00 0.00 O ATOM 95 ND2 ASN A 9 16.178 3.349 8.320 1.00 0.00 N ATOM 0 H ASN A 9 11.514 5.642 9.683 1.00 0.00 H new ATOM 0 HA ASN A 9 14.207 6.655 9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.548 4.426 10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.718 3.659 9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.039 3.313 7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.747 2.485 8.650 1.00 0.00 H new ATOM 102 N TYR A 10 13.754 6.521 6.815 1.00 0.00 N ATOM 103 CA TYR A 10 13.489 6.516 5.380 1.00 0.00 C ATOM 104 C TYR A 10 13.798 5.143 4.769 1.00 0.00 C ATOM 105 O TYR A 10 13.143 4.743 3.802 1.00 0.00 O ATOM 106 CB TYR A 10 14.363 7.596 4.718 1.00 0.00 C ATOM 107 CG TYR A 10 13.843 8.142 3.398 1.00 0.00 C ATOM 108 CD1 TYR A 10 13.959 7.403 2.206 1.00 0.00 C ATOM 109 CD2 TYR A 10 13.283 9.432 3.364 1.00 0.00 C ATOM 110 CE1 TYR A 10 13.567 7.964 0.978 1.00 0.00 C ATOM 111 CE2 TYR A 10 12.898 10.003 2.142 1.00 0.00 C ATOM 112 CZ TYR A 10 13.069 9.284 0.940 1.00 0.00 C ATOM 113 OH TYR A 10 12.800 9.901 -0.240 1.00 0.00 O ATOM 0 H TYR A 10 14.551 7.101 7.077 1.00 0.00 H new ATOM 0 HA TYR A 10 12.433 6.727 5.208 1.00 0.00 H new ATOM 0 HB2 TYR A 10 14.474 8.426 5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 10 15.358 7.182 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 10 14.352 6.397 2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.149 9.985 4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 10 13.647 7.388 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.470 10.994 2.121 1.00 0.00 H new ATOM 0 HH TYR A 10 12.464 10.805 -0.067 1.00 0.00 H new ATOM 123 N ASP A 11 14.766 4.426 5.359 1.00 0.00 N ATOM 124 CA ASP A 11 15.488 3.304 4.804 1.00 0.00 C ATOM 125 C ASP A 11 15.976 3.622 3.383 1.00 0.00 C ATOM 126 O ASP A 11 16.056 4.783 2.976 1.00 0.00 O ATOM 127 CB ASP A 11 14.652 2.031 4.940 1.00 0.00 C ATOM 128 CG ASP A 11 14.521 1.535 6.376 1.00 0.00 C ATOM 129 OD1 ASP A 11 15.445 0.851 6.866 1.00 0.00 O ATOM 130 OD2 ASP A 11 13.467 1.758 7.014 1.00 0.00 O ATOM 0 H ASP A 11 15.077 4.643 6.306 1.00 0.00 H new ATOM 0 HA ASP A 11 16.400 3.115 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.656 2.216 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.101 1.245 4.333 1.00 0.00 H new ATOM 135 N LEU A 12 16.337 2.596 2.613 1.00 0.00 N ATOM 136 CA LEU A 12 16.552 2.682 1.176 1.00 0.00 C ATOM 137 C LEU A 12 15.386 1.980 0.461 1.00 0.00 C ATOM 138 O LEU A 12 15.582 1.351 -0.578 1.00 0.00 O ATOM 139 CB LEU A 12 17.926 2.079 0.833 1.00 0.00 C ATOM 140 CG LEU A 12 19.137 2.830 1.415 1.00 0.00 C ATOM 141 CD1 LEU A 12 20.416 2.071 1.061 1.00 0.00 C ATOM 142 CD2 LEU A 12 19.226 4.263 0.887 1.00 0.00 C ATOM 0 H LEU A 12 16.491 1.659 2.985 1.00 0.00 H new ATOM 0 HA LEU A 12 16.567 3.717 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.952 1.049 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 12 18.028 2.043 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 12 19.015 2.884 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 21.277 2.598 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 12 20.371 1.067 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.512 2.006 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 12 20.094 4.758 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.325 4.245 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 12 18.323 4.808 1.160 1.00 0.00 H new ATOM 154 N SER A 13 14.193 2.009 1.061 1.00 0.00 N ATOM 155 CA SER A 13 13.041 1.236 0.618 1.00 0.00 C ATOM 156 C SER A 13 12.690 1.585 -0.830 1.00 0.00 C ATOM 157 O SER A 13 12.625 2.764 -1.195 1.00 0.00 O ATOM 158 CB SER A 13 11.867 1.488 1.576 1.00 0.00 C ATOM 159 OG SER A 13 10.963 0.405 1.520 1.00 0.00 O ATOM 0 H SER A 13 14.002 2.582 1.883 1.00 0.00 H new ATOM 0 HA SER A 13 13.275 0.172 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.237 1.613 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.358 2.413 1.306 1.00 0.00 H new ATOM 0 HG SER A 13 10.217 0.570 2.134 1.00 0.00 H new ATOM 165 N ASP A 14 12.472 0.568 -1.666 1.00 0.00 N ATOM 166 CA ASP A 14 12.105 0.765 -3.064 1.00 0.00 C ATOM 167 C ASP A 14 10.618 1.089 -3.168 1.00 0.00 C ATOM 168 O ASP A 14 10.225 1.962 -3.954 1.00 0.00 O ATOM 169 CB ASP A 14 12.402 -0.464 -3.938 1.00 0.00 C ATOM 170 CG ASP A 14 13.797 -1.047 -3.744 1.00 0.00 C ATOM 171 OD1 ASP A 14 13.980 -1.756 -2.725 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.701 -0.796 -4.572 1.00 0.00 O ATOM 0 H ASP A 14 12.545 -0.412 -1.391 1.00 0.00 H new ATOM 0 HA ASP A 14 12.712 1.592 -3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.664 -1.237 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.278 -0.189 -4.986 1.00 0.00 H new ATOM 177 N LEU A 15 9.797 0.366 -2.399 1.00 0.00 N ATOM 178 CA LEU A 15 8.344 0.435 -2.441 1.00 0.00 C ATOM 179 C LEU A 15 7.853 1.697 -1.726 1.00 0.00 C ATOM 180 O LEU A 15 8.402 2.061 -0.684 1.00 0.00 O ATOM 181 CB LEU A 15 7.723 -0.797 -1.763 1.00 0.00 C ATOM 182 CG LEU A 15 8.087 -2.146 -2.411 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.401 -3.278 -1.655 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.660 -2.237 -3.877 1.00 0.00 C ATOM 0 H LEU A 15 10.143 -0.303 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 15 8.038 0.463 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.036 -0.816 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.638 -0.689 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 15 9.173 -2.229 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.660 -4.232 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.731 -3.275 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.321 -3.138 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.943 -3.210 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.579 -2.115 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.153 -1.451 -4.449 1.00 0.00 H new ATOM 196 N PRO A 16 6.808 2.352 -2.255 1.00 0.00 N ATOM 197 CA PRO A 16 6.340 3.619 -1.729 1.00 0.00 C ATOM 198 C PRO A 16 5.751 3.461 -0.328 1.00 0.00 C ATOM 199 O PRO A 16 5.108 2.450 -0.023 1.00 0.00 O ATOM 200 CB PRO A 16 5.320 4.141 -2.747 1.00 0.00 C ATOM 201 CG PRO A 16 4.944 2.949 -3.622 1.00 0.00 C ATOM 202 CD PRO A 16 6.103 1.978 -3.465 1.00 0.00 C ATOM 0 HA PRO A 16 7.155 4.332 -1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.442 4.548 -2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.745 4.946 -3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.005 2.501 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.814 3.246 -4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.740 0.952 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.766 2.026 -4.329 1.00 0.00 H new ATOM 210 N GLY A 17 5.925 4.506 0.484 1.00 0.00 N ATOM 211 CA GLY A 17 5.281 4.687 1.771 1.00 0.00 C ATOM 212 C GLY A 17 3.765 4.545 1.632 1.00 0.00 C ATOM 213 O GLY A 17 3.198 5.035 0.647 1.00 0.00 O ATOM 0 H GLY A 17 6.547 5.278 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.658 3.951 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.525 5.671 2.172 1.00 0.00 H new ATOM 217 N PRO A 18 3.091 3.928 2.615 1.00 0.00 N ATOM 218 CA PRO A 18 1.660 3.691 2.556 1.00 0.00 C ATOM 219 C PRO A 18 0.900 5.022 2.597 1.00 0.00 C ATOM 220 O PRO A 18 1.365 5.966 3.246 1.00 0.00 O ATOM 221 CB PRO A 18 1.333 2.809 3.763 1.00 0.00 C ATOM 222 CG PRO A 18 2.480 3.069 4.744 1.00 0.00 C ATOM 223 CD PRO A 18 3.663 3.422 3.851 1.00 0.00 C ATOM 0 HA PRO A 18 1.361 3.199 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.369 3.073 4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.279 1.757 3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.241 3.883 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.690 2.190 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.299 4.171 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.286 2.547 3.664 1.00 0.00 H new ATOM 231 N PRO A 19 -0.276 5.121 1.954 1.00 0.00 N ATOM 232 CA PRO A 19 -1.106 6.312 2.052 1.00 0.00 C ATOM 233 C PRO A 19 -1.608 6.513 3.492 1.00 0.00 C ATOM 234 O PRO A 19 -1.602 5.583 4.306 1.00 0.00 O ATOM 235 CB PRO A 19 -2.239 6.117 1.041 1.00 0.00 C ATOM 236 CG PRO A 19 -2.211 4.645 0.625 1.00 0.00 C ATOM 237 CD PRO A 19 -0.924 4.062 1.194 1.00 0.00 C ATOM 0 HA PRO A 19 -0.553 7.222 1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.201 6.375 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.101 6.766 0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.082 4.115 1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.235 4.548 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.138 3.205 1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.274 3.709 0.394 1.00 0.00 H new ATOM 245 N SER A 20 -2.032 7.733 3.820 1.00 0.00 N ATOM 246 CA SER A 20 -2.686 8.054 5.085 1.00 0.00 C ATOM 247 C SER A 20 -4.063 7.365 5.150 1.00 0.00 C ATOM 248 O SER A 20 -4.556 6.857 4.141 1.00 0.00 O ATOM 249 CB SER A 20 -2.792 9.583 5.194 1.00 0.00 C ATOM 250 OG SER A 20 -1.532 10.205 4.980 1.00 0.00 O ATOM 0 H SER A 20 -1.928 8.538 3.203 1.00 0.00 H new ATOM 0 HA SER A 20 -2.108 7.685 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.511 9.953 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.171 9.854 6.179 1.00 0.00 H new ATOM 0 HG SER A 20 -1.358 10.270 4.018 1.00 0.00 H new ATOM 256 N LYS A 21 -4.700 7.350 6.326 1.00 0.00 N ATOM 257 CA LYS A 21 -6.027 6.764 6.517 1.00 0.00 C ATOM 258 C LYS A 21 -7.016 7.439 5.553 1.00 0.00 C ATOM 259 O LYS A 21 -7.121 8.666 5.620 1.00 0.00 O ATOM 260 CB LYS A 21 -6.486 6.983 7.965 1.00 0.00 C ATOM 261 CG LYS A 21 -7.823 6.275 8.262 1.00 0.00 C ATOM 262 CD LYS A 21 -8.954 7.258 8.572 1.00 0.00 C ATOM 263 CE LYS A 21 -10.232 6.506 8.942 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.120 7.321 9.796 1.00 0.00 N ATOM 0 H LYS A 21 -4.304 7.748 7.178 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.988 5.694 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.721 6.613 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.592 8.051 8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.104 5.663 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.692 5.599 9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.660 7.912 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.138 7.895 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.762 6.221 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.973 5.584 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.976 6.777 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.623 7.571 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.387 8.189 9.290 1.00 0.00 H new ATOM 278 N PRO A 22 -7.757 6.721 4.687 1.00 0.00 N ATOM 279 CA PRO A 22 -8.784 7.346 3.877 1.00 0.00 C ATOM 280 C PRO A 22 -9.953 7.795 4.748 1.00 0.00 C ATOM 281 O PRO A 22 -10.449 7.070 5.612 1.00 0.00 O ATOM 282 CB PRO A 22 -9.222 6.308 2.847 1.00 0.00 C ATOM 283 CG PRO A 22 -8.953 4.989 3.570 1.00 0.00 C ATOM 284 CD PRO A 22 -7.720 5.295 4.422 1.00 0.00 C ATOM 0 HA PRO A 22 -8.407 8.239 3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.274 6.418 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.650 6.388 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.801 4.688 4.185 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.764 4.177 2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.737 4.725 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.805 5.020 3.897 1.00 0.00 H new ATOM 292 N GLN A 23 -10.414 9.005 4.474 1.00 0.00 N ATOM 293 CA GLN A 23 -11.669 9.544 4.949 1.00 0.00 C ATOM 294 C GLN A 23 -12.801 9.028 4.097 1.00 0.00 C ATOM 295 O GLN A 23 -12.610 8.513 2.997 1.00 0.00 O ATOM 296 CB GLN A 23 -11.654 11.076 4.848 1.00 0.00 C ATOM 297 CG GLN A 23 -10.739 11.642 5.924 1.00 0.00 C ATOM 298 CD GLN A 23 -11.345 11.693 7.320 1.00 0.00 C ATOM 299 OE1 GLN A 23 -12.514 11.380 7.535 1.00 0.00 O ATOM 300 NE2 GLN A 23 -10.548 12.079 8.296 1.00 0.00 N ATOM 0 H GLN A 23 -9.898 9.663 3.889 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.806 9.238 5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.308 11.383 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.663 11.470 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.830 11.041 5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.443 12.651 5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.581 12.334 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.898 12.123 9.253 1.00 0.00 H new ATOM 309 N VAL A 24 -13.982 9.292 4.628 1.00 0.00 N ATOM 310 CA VAL A 24 -15.269 9.080 3.989 1.00 0.00 C ATOM 311 C VAL A 24 -16.045 10.383 4.154 1.00 0.00 C ATOM 312 O VAL A 24 -16.630 10.657 5.211 1.00 0.00 O ATOM 313 CB VAL A 24 -15.948 7.822 4.563 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.444 7.767 4.219 1.00 0.00 C ATOM 315 CG2 VAL A 24 -15.243 6.567 4.017 1.00 0.00 C ATOM 0 H VAL A 24 -14.074 9.681 5.567 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.196 8.867 2.922 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.862 7.861 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.882 6.864 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.945 8.642 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.568 7.756 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -15.722 5.675 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.313 6.554 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.194 6.581 4.313 1.00 0.00 H new ATOM 325 N THR A 25 -15.963 11.212 3.118 1.00 0.00 N ATOM 326 CA THR A 25 -16.637 12.490 3.039 1.00 0.00 C ATOM 327 C THR A 25 -17.971 12.244 2.318 1.00 0.00 C ATOM 328 O THR A 25 -18.968 11.939 2.971 1.00 0.00 O ATOM 329 CB THR A 25 -15.705 13.559 2.417 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.339 13.242 1.090 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.384 13.735 3.182 1.00 0.00 C ATOM 0 H THR A 25 -15.408 11.001 2.289 1.00 0.00 H new ATOM 0 HA THR A 25 -16.875 12.912 4.015 1.00 0.00 H new ATOM 0 HB THR A 25 -16.296 14.474 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.753 13.943 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.779 14.498 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.595 14.041 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.840 12.791 3.190 1.00 0.00 H new ATOM 339 N ASP A 26 -18.003 12.338 0.990 1.00 0.00 N ATOM 340 CA ASP A 26 -19.201 12.185 0.181 1.00 0.00 C ATOM 341 C ASP A 26 -19.699 10.746 0.230 1.00 0.00 C ATOM 342 O ASP A 26 -18.936 9.832 -0.064 1.00 0.00 O ATOM 343 CB ASP A 26 -18.951 12.622 -1.261 1.00 0.00 C ATOM 344 CG ASP A 26 -20.267 12.761 -2.009 1.00 0.00 C ATOM 345 OD1 ASP A 26 -20.878 13.848 -1.948 1.00 0.00 O ATOM 346 OD2 ASP A 26 -20.703 11.800 -2.686 1.00 0.00 O ATOM 0 H ASP A 26 -17.169 12.529 0.435 1.00 0.00 H new ATOM 0 HA ASP A 26 -19.974 12.832 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.417 13.572 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.315 11.893 -1.763 1.00 0.00 H new ATOM 351 N VAL A 27 -20.961 10.524 0.579 1.00 0.00 N ATOM 352 CA VAL A 27 -21.620 9.221 0.533 1.00 0.00 C ATOM 353 C VAL A 27 -23.033 9.423 -0.015 1.00 0.00 C ATOM 354 O VAL A 27 -23.546 10.543 0.027 1.00 0.00 O ATOM 355 CB VAL A 27 -21.534 8.545 1.924 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.239 9.329 3.041 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.082 7.111 1.899 1.00 0.00 C ATOM 0 H VAL A 27 -21.574 11.268 0.912 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.125 8.525 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.468 8.529 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.135 8.792 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.787 10.316 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.296 9.436 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.003 6.674 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.128 7.126 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.505 6.513 1.193 1.00 0.00 H new ATOM 367 N THR A 28 -23.683 8.380 -0.545 1.00 0.00 N ATOM 368 CA THR A 28 -24.965 8.569 -1.240 1.00 0.00 C ATOM 369 C THR A 28 -26.038 7.533 -0.946 1.00 0.00 C ATOM 370 O THR A 28 -27.128 7.929 -0.562 1.00 0.00 O ATOM 371 CB THR A 28 -24.730 8.661 -2.761 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.244 7.424 -3.280 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.768 9.767 -3.173 1.00 0.00 C ATOM 0 H THR A 28 -23.353 7.416 -0.509 1.00 0.00 H new ATOM 0 HA THR A 28 -25.361 9.503 -0.841 1.00 0.00 H new ATOM 0 HB THR A 28 -25.707 8.900 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.551 7.600 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.656 9.766 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.162 10.731 -2.850 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.797 9.597 -2.707 1.00 0.00 H new ATOM 381 N LYS A 29 -25.749 6.251 -1.170 1.00 0.00 N ATOM 382 CA LYS A 29 -26.485 5.019 -0.896 1.00 0.00 C ATOM 383 C LYS A 29 -25.764 3.843 -1.579 1.00 0.00 C ATOM 384 O LYS A 29 -25.771 2.732 -1.062 1.00 0.00 O ATOM 385 CB LYS A 29 -27.949 5.137 -1.348 1.00 0.00 C ATOM 386 CG LYS A 29 -28.121 5.238 -2.865 1.00 0.00 C ATOM 387 CD LYS A 29 -29.182 6.258 -3.253 1.00 0.00 C ATOM 388 CE LYS A 29 -29.491 6.143 -4.746 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.361 7.251 -5.207 1.00 0.00 N ATOM 0 H LYS A 29 -24.860 6.023 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.508 4.838 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.502 4.270 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.394 6.016 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.170 5.514 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.394 4.261 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.089 6.092 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -28.834 7.264 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.560 6.150 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.979 5.189 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.551 7.143 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.259 7.229 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.884 8.160 -5.039 1.00 0.00 H new ATOM 403 N ASN A 30 -25.102 4.071 -2.723 1.00 0.00 N ATOM 404 CA ASN A 30 -24.378 3.062 -3.505 1.00 0.00 C ATOM 405 C ASN A 30 -23.053 3.596 -4.047 1.00 0.00 C ATOM 406 O ASN A 30 -22.335 2.841 -4.707 1.00 0.00 O ATOM 407 CB ASN A 30 -25.226 2.471 -4.652 1.00 0.00 C ATOM 408 CG ASN A 30 -26.220 3.443 -5.266 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.911 4.610 -5.505 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.448 2.997 -5.439 1.00 0.00 N ATOM 0 H ASN A 30 -25.055 4.999 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.161 2.253 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.557 2.113 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.770 1.604 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.175 3.625 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.671 2.024 -5.231 1.00 0.00 H new ATOM 417 N SER A 31 -22.679 4.838 -3.737 1.00 0.00 N ATOM 418 CA SER A 31 -21.333 5.342 -3.939 1.00 0.00 C ATOM 419 C SER A 31 -20.852 6.056 -2.682 1.00 0.00 C ATOM 420 O SER A 31 -21.656 6.525 -1.868 1.00 0.00 O ATOM 421 CB SER A 31 -21.271 6.249 -5.171 1.00 0.00 C ATOM 422 OG SER A 31 -22.286 7.239 -5.192 1.00 0.00 O ATOM 0 H SER A 31 -23.315 5.526 -3.334 1.00 0.00 H new ATOM 0 HA SER A 31 -20.662 4.504 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.297 6.737 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.352 5.636 -6.069 1.00 0.00 H new ATOM 0 HG SER A 31 -22.193 7.786 -6.000 1.00 0.00 H new ATOM 428 N VAL A 32 -19.544 6.106 -2.501 1.00 0.00 N ATOM 429 CA VAL A 32 -18.891 6.856 -1.454 1.00 0.00 C ATOM 430 C VAL A 32 -17.552 7.317 -2.032 1.00 0.00 C ATOM 431 O VAL A 32 -16.926 6.596 -2.809 1.00 0.00 O ATOM 432 CB VAL A 32 -18.811 6.013 -0.157 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.370 4.566 -0.331 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.972 6.686 0.917 1.00 0.00 C ATOM 0 H VAL A 32 -18.889 5.607 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.444 7.743 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.851 5.965 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.350 4.072 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.070 4.049 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.373 4.540 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.946 6.056 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.957 6.833 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.410 7.652 1.169 1.00 0.00 H new ATOM 444 N THR A 33 -17.130 8.531 -1.702 1.00 0.00 N ATOM 445 CA THR A 33 -15.865 9.093 -2.110 1.00 0.00 C ATOM 446 C THR A 33 -14.871 8.849 -0.983 1.00 0.00 C ATOM 447 O THR A 33 -15.204 8.959 0.199 1.00 0.00 O ATOM 448 CB THR A 33 -16.081 10.576 -2.437 1.00 0.00 C ATOM 449 OG1 THR A 33 -16.944 10.638 -3.560 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.796 11.320 -2.819 1.00 0.00 C ATOM 0 H THR A 33 -17.682 9.165 -1.125 1.00 0.00 H new ATOM 0 HA THR A 33 -15.460 8.630 -3.010 1.00 0.00 H new ATOM 0 HB THR A 33 -16.482 11.050 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.106 11.575 -3.797 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.030 12.362 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.088 11.272 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.355 10.856 -3.701 1.00 0.00 H new ATOM 458 N LEU A 34 -13.624 8.573 -1.346 1.00 0.00 N ATOM 459 CA LEU A 34 -12.500 8.414 -0.439 1.00 0.00 C ATOM 460 C LEU A 34 -11.545 9.568 -0.677 1.00 0.00 C ATOM 461 O LEU A 34 -11.327 9.930 -1.829 1.00 0.00 O ATOM 462 CB LEU A 34 -11.826 7.065 -0.702 1.00 0.00 C ATOM 463 CG LEU A 34 -12.675 5.863 -0.303 1.00 0.00 C ATOM 464 CD1 LEU A 34 -11.871 4.591 -0.565 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.095 5.926 1.165 1.00 0.00 C ATOM 0 H LEU A 34 -13.360 8.449 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.824 8.426 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.584 6.991 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.883 7.029 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.588 5.867 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.465 3.721 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.618 4.532 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.955 4.611 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.698 5.051 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.207 5.942 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.680 6.830 1.338 1.00 0.00 H new ATOM 477 N SER A 35 -11.005 10.132 0.403 1.00 0.00 N ATOM 478 CA SER A 35 -10.031 11.222 0.422 1.00 0.00 C ATOM 479 C SER A 35 -8.876 10.692 1.260 1.00 0.00 C ATOM 480 O SER A 35 -9.119 10.349 2.418 1.00 0.00 O ATOM 481 CB SER A 35 -10.684 12.500 1.023 1.00 0.00 C ATOM 482 OG SER A 35 -10.144 12.943 2.265 1.00 0.00 O ATOM 0 H SER A 35 -11.250 9.822 1.343 1.00 0.00 H new ATOM 0 HA SER A 35 -9.680 11.514 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.591 13.309 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.749 12.313 1.157 1.00 0.00 H new ATOM 0 HG SER A 35 -10.617 13.749 2.558 1.00 0.00 H new ATOM 488 N TRP A 36 -7.657 10.596 0.737 1.00 0.00 N ATOM 489 CA TRP A 36 -6.486 10.266 1.550 1.00 0.00 C ATOM 490 C TRP A 36 -5.353 11.191 1.124 1.00 0.00 C ATOM 491 O TRP A 36 -5.474 11.899 0.117 1.00 0.00 O ATOM 492 CB TRP A 36 -6.120 8.776 1.427 1.00 0.00 C ATOM 493 CG TRP A 36 -5.867 8.293 0.037 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.650 8.079 -0.498 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.828 8.016 -1.026 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.790 7.769 -1.833 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.109 7.715 -2.215 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.233 8.021 -1.117 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.740 7.471 -3.443 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.878 7.793 -2.344 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.139 7.532 -3.508 1.00 0.00 C ATOM 0 H TRP A 36 -7.452 10.743 -0.251 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.696 10.422 2.608 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.230 8.587 2.027 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.927 8.184 1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.713 8.141 0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.007 7.599 -2.464 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.823 8.203 -0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.159 7.240 -4.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.957 7.819 -2.392 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.646 7.379 -4.449 1.00 0.00 H new ATOM 512 N GLN A 37 -4.248 11.199 1.861 1.00 0.00 N ATOM 513 CA GLN A 37 -3.046 11.914 1.458 1.00 0.00 C ATOM 514 C GLN A 37 -1.931 10.885 1.222 1.00 0.00 C ATOM 515 O GLN A 37 -1.984 9.789 1.794 1.00 0.00 O ATOM 516 CB GLN A 37 -2.721 13.035 2.453 1.00 0.00 C ATOM 517 CG GLN A 37 -3.869 14.070 2.495 1.00 0.00 C ATOM 518 CD GLN A 37 -3.474 15.387 3.161 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.468 15.463 3.859 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.209 16.468 2.947 1.00 0.00 N ATOM 0 H GLN A 37 -4.162 10.711 2.752 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.183 12.441 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.566 12.614 3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.791 13.526 2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.204 14.272 1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.716 13.641 3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.046 16.409 2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.938 17.359 3.362 1.00 0.00 H new ATOM 529 N PRO A 38 -0.994 11.171 0.304 1.00 0.00 N ATOM 530 CA PRO A 38 -0.081 10.166 -0.215 1.00 0.00 C ATOM 531 C PRO A 38 1.093 9.977 0.744 1.00 0.00 C ATOM 532 O PRO A 38 1.466 10.894 1.482 1.00 0.00 O ATOM 533 CB PRO A 38 0.346 10.685 -1.589 1.00 0.00 C ATOM 534 CG PRO A 38 0.201 12.201 -1.477 1.00 0.00 C ATOM 535 CD PRO A 38 -0.914 12.401 -0.468 1.00 0.00 C ATOM 0 HA PRO A 38 -0.537 9.180 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.372 10.399 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.285 10.282 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.128 12.665 -1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.049 12.648 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.704 13.253 0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.860 12.607 -0.970 1.00 0.00 H new ATOM 543 N GLY A 39 1.695 8.788 0.732 1.00 0.00 N ATOM 544 CA GLY A 39 2.770 8.440 1.620 1.00 0.00 C ATOM 545 C GLY A 39 4.100 8.962 1.118 1.00 0.00 C ATOM 546 O GLY A 39 4.225 9.525 0.028 1.00 0.00 O ATOM 0 H GLY A 39 1.435 8.039 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.570 8.847 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.820 7.356 1.724 1.00 0.00 H new ATOM 550 N THR A 40 5.109 8.730 1.941 1.00 0.00 N ATOM 551 CA THR A 40 6.485 9.068 1.716 1.00 0.00 C ATOM 552 C THR A 40 6.979 8.312 0.484 1.00 0.00 C ATOM 553 O THR A 40 6.488 7.218 0.184 1.00 0.00 O ATOM 554 CB THR A 40 7.238 8.636 2.983 1.00 0.00 C ATOM 555 OG1 THR A 40 6.602 9.172 4.137 1.00 0.00 O ATOM 556 CG2 THR A 40 8.662 9.140 2.962 1.00 0.00 C ATOM 0 H THR A 40 4.968 8.270 2.840 1.00 0.00 H new ATOM 0 HA THR A 40 6.638 10.131 1.532 1.00 0.00 H new ATOM 0 HB THR A 40 7.232 7.546 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.088 8.890 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.174 8.821 3.870 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.179 8.734 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.662 10.229 2.909 1.00 0.00 H new ATOM 564 N PRO A 41 7.928 8.876 -0.262 1.00 0.00 N ATOM 565 CA PRO A 41 8.592 8.147 -1.314 1.00 0.00 C ATOM 566 C PRO A 41 9.512 7.042 -0.789 1.00 0.00 C ATOM 567 O PRO A 41 9.705 6.822 0.410 1.00 0.00 O ATOM 568 CB PRO A 41 9.336 9.185 -2.149 1.00 0.00 C ATOM 569 CG PRO A 41 9.387 10.433 -1.290 1.00 0.00 C ATOM 570 CD PRO A 41 8.289 10.278 -0.252 1.00 0.00 C ATOM 0 HA PRO A 41 7.865 7.610 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.339 8.841 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.819 9.376 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.362 10.538 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.229 11.327 -1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.638 10.584 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.431 10.904 -0.495 1.00 0.00 H new ATOM 578 N GLY A 42 10.090 6.367 -1.765 1.00 0.00 N ATOM 579 CA GLY A 42 11.134 5.390 -1.732 1.00 0.00 C ATOM 580 C GLY A 42 11.855 5.599 -3.057 1.00 0.00 C ATOM 581 O GLY A 42 11.750 6.658 -3.693 1.00 0.00 O ATOM 0 H GLY A 42 9.787 6.523 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.801 5.543 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.736 4.379 -1.646 1.00 0.00 H new ATOM 585 N THR A 43 12.602 4.598 -3.467 1.00 0.00 N ATOM 586 CA THR A 43 13.478 4.663 -4.631 1.00 0.00 C ATOM 587 C THR A 43 12.674 4.735 -5.938 1.00 0.00 C ATOM 588 O THR A 43 13.031 5.520 -6.818 1.00 0.00 O ATOM 589 CB THR A 43 14.509 3.514 -4.576 1.00 0.00 C ATOM 590 OG1 THR A 43 15.821 4.027 -4.718 1.00 0.00 O ATOM 591 CG2 THR A 43 14.322 2.378 -5.574 1.00 0.00 C ATOM 0 H THR A 43 12.623 3.694 -2.995 1.00 0.00 H new ATOM 0 HA THR A 43 14.049 5.591 -4.610 1.00 0.00 H new ATOM 0 HB THR A 43 14.340 3.067 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.466 3.290 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.108 1.637 -5.433 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.350 1.911 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.374 2.773 -6.589 1.00 0.00 H new ATOM 599 N LEU A 44 11.613 3.931 -6.088 1.00 0.00 N ATOM 600 CA LEU A 44 10.879 3.816 -7.354 1.00 0.00 C ATOM 601 C LEU A 44 9.618 4.682 -7.351 1.00 0.00 C ATOM 602 O LEU A 44 9.067 4.921 -6.279 1.00 0.00 O ATOM 603 CB LEU A 44 10.498 2.348 -7.613 1.00 0.00 C ATOM 604 CG LEU A 44 11.646 1.427 -8.055 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.110 0.040 -8.427 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.428 2.032 -9.223 1.00 0.00 C ATOM 0 H LEU A 44 11.242 3.346 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 44 11.533 4.170 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.060 1.940 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.722 2.323 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 44 12.332 1.322 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.937 -0.598 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.615 -0.402 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.397 0.133 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.233 1.356 -9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.759 2.182 -10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.850 2.990 -8.921 1.00 0.00 H new ATOM 618 N PRO A 45 9.123 5.110 -8.522 1.00 0.00 N ATOM 619 CA PRO A 45 7.971 5.994 -8.644 1.00 0.00 C ATOM 620 C PRO A 45 6.681 5.217 -8.412 1.00 0.00 C ATOM 621 O PRO A 45 6.590 4.020 -8.685 1.00 0.00 O ATOM 622 CB PRO A 45 8.058 6.555 -10.069 1.00 0.00 C ATOM 623 CG PRO A 45 8.710 5.413 -10.850 1.00 0.00 C ATOM 624 CD PRO A 45 9.624 4.739 -9.835 1.00 0.00 C ATOM 0 HA PRO A 45 7.970 6.795 -7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.074 6.804 -10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.657 7.465 -10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.964 4.719 -11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.272 5.786 -11.706 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.615 3.657 -9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.656 5.066 -9.964 1.00 0.00 H new ATOM 632 N ALA A 46 5.666 5.918 -7.920 1.00 0.00 N ATOM 633 CA ALA A 46 4.354 5.359 -7.668 1.00 0.00 C ATOM 634 C ALA A 46 3.597 5.278 -8.998 1.00 0.00 C ATOM 635 O ALA A 46 3.115 6.288 -9.508 1.00 0.00 O ATOM 636 CB ALA A 46 3.630 6.239 -6.656 1.00 0.00 C ATOM 0 H ALA A 46 5.739 6.907 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 46 4.424 4.354 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.640 5.828 -6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.201 6.272 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.530 7.248 -7.057 1.00 0.00 H new ATOM 642 N SER A 47 3.491 4.075 -9.546 1.00 0.00 N ATOM 643 CA SER A 47 2.764 3.719 -10.754 1.00 0.00 C ATOM 644 C SER A 47 1.303 4.198 -10.737 1.00 0.00 C ATOM 645 O SER A 47 0.855 4.781 -11.728 1.00 0.00 O ATOM 646 CB SER A 47 2.826 2.192 -10.873 1.00 0.00 C ATOM 647 OG SER A 47 3.986 1.747 -11.543 1.00 0.00 O ATOM 0 H SER A 47 3.945 3.264 -9.126 1.00 0.00 H new ATOM 0 HA SER A 47 3.223 4.212 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.795 1.752 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.944 1.837 -11.406 1.00 0.00 H new ATOM 0 HG SER A 47 3.980 0.768 -11.592 1.00 0.00 H new ATOM 653 N ALA A 48 0.536 3.870 -9.688 1.00 0.00 N ATOM 654 CA ALA A 48 -0.880 4.210 -9.501 1.00 0.00 C ATOM 655 C ALA A 48 -1.247 3.848 -8.053 1.00 0.00 C ATOM 656 O ALA A 48 -0.350 3.609 -7.244 1.00 0.00 O ATOM 657 CB ALA A 48 -1.758 3.453 -10.514 1.00 0.00 C ATOM 0 H ALA A 48 0.907 3.331 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.052 5.272 -9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.804 3.719 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.461 3.724 -11.527 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.632 2.379 -10.374 1.00 0.00 H new ATOM 663 N TYR A 49 -2.537 3.751 -7.722 1.00 0.00 N ATOM 664 CA TYR A 49 -3.036 3.250 -6.439 1.00 0.00 C ATOM 665 C TYR A 49 -4.066 2.134 -6.673 1.00 0.00 C ATOM 666 O TYR A 49 -4.688 2.093 -7.737 1.00 0.00 O ATOM 667 CB TYR A 49 -3.640 4.421 -5.644 1.00 0.00 C ATOM 668 CG TYR A 49 -2.622 5.431 -5.141 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.123 6.434 -5.998 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.188 5.385 -3.801 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.175 7.358 -5.522 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.221 6.290 -3.331 1.00 0.00 C ATOM 673 CZ TYR A 49 -0.689 7.266 -4.200 1.00 0.00 C ATOM 674 OH TYR A 49 0.263 8.128 -3.753 1.00 0.00 O ATOM 0 H TYR A 49 -3.285 4.027 -8.358 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.218 2.823 -5.859 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.364 4.937 -6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.188 4.021 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.469 6.493 -7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.602 4.648 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.817 8.143 -6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.885 6.238 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 49 0.479 7.921 -2.820 1.00 0.00 H new ATOM 684 N ILE A 50 -4.300 1.264 -5.689 1.00 0.00 N ATOM 685 CA ILE A 50 -5.440 0.343 -5.585 1.00 0.00 C ATOM 686 C ILE A 50 -6.365 0.887 -4.487 1.00 0.00 C ATOM 687 O ILE A 50 -5.888 1.544 -3.560 1.00 0.00 O ATOM 688 CB ILE A 50 -4.950 -1.109 -5.329 1.00 0.00 C ATOM 689 CG1 ILE A 50 -4.856 -1.855 -6.669 1.00 0.00 C ATOM 690 CG2 ILE A 50 -5.795 -1.900 -4.324 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.161 -3.218 -6.547 1.00 0.00 C ATOM 0 H ILE A 50 -3.664 1.176 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.003 0.289 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.968 -1.027 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.859 -1.999 -7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.312 -1.238 -7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.380 -2.901 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.787 -1.390 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.820 -1.972 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.125 -3.697 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.146 -3.077 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.718 -3.849 -5.854 1.00 0.00 H new ATOM 703 N ILE A 51 -7.659 0.566 -4.557 1.00 0.00 N ATOM 704 CA ILE A 51 -8.621 0.739 -3.479 1.00 0.00 C ATOM 705 C ILE A 51 -9.353 -0.592 -3.344 1.00 0.00 C ATOM 706 O ILE A 51 -10.009 -1.053 -4.281 1.00 0.00 O ATOM 707 CB ILE A 51 -9.588 1.907 -3.760 1.00 0.00 C ATOM 708 CG1 ILE A 51 -8.809 3.231 -3.908 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.647 2.044 -2.647 1.00 0.00 C ATOM 710 CD1 ILE A 51 -9.675 4.403 -4.362 1.00 0.00 C ATOM 0 H ILE A 51 -8.075 0.165 -5.398 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.122 1.001 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.103 1.688 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.348 3.480 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.000 3.089 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.311 2.877 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.228 1.124 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.151 2.228 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.060 5.299 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.116 4.175 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.468 4.573 -3.634 1.00 0.00 H new ATOM 722 N GLU A 52 -9.250 -1.199 -2.169 1.00 0.00 N ATOM 723 CA GLU A 52 -10.022 -2.362 -1.778 1.00 0.00 C ATOM 724 C GLU A 52 -11.153 -1.868 -0.881 1.00 0.00 C ATOM 725 O GLU A 52 -11.043 -0.823 -0.241 1.00 0.00 O ATOM 726 CB GLU A 52 -9.142 -3.398 -1.051 1.00 0.00 C ATOM 727 CG GLU A 52 -7.984 -3.875 -1.935 1.00 0.00 C ATOM 728 CD GLU A 52 -7.043 -4.861 -1.236 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.295 -6.089 -1.249 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.020 -4.400 -0.686 1.00 0.00 O ATOM 0 H GLU A 52 -8.607 -0.883 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.425 -2.867 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.745 -2.960 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.752 -4.252 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.391 -4.347 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.410 -3.009 -2.265 1.00 0.00 H new ATOM 737 N ALA A 53 -12.232 -2.637 -0.814 1.00 0.00 N ATOM 738 CA ALA A 53 -13.331 -2.492 0.123 1.00 0.00 C ATOM 739 C ALA A 53 -13.647 -3.884 0.626 1.00 0.00 C ATOM 740 O ALA A 53 -13.412 -4.868 -0.075 1.00 0.00 O ATOM 741 CB ALA A 53 -14.566 -1.944 -0.593 1.00 0.00 C ATOM 0 H ALA A 53 -12.368 -3.423 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.063 -1.809 0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.384 -1.840 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.334 -0.970 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.862 -2.631 -1.386 1.00 0.00 H new ATOM 747 N PHE A 54 -14.248 -3.958 1.798 1.00 0.00 N ATOM 748 CA PHE A 54 -14.765 -5.179 2.380 1.00 0.00 C ATOM 749 C PHE A 54 -16.163 -4.854 2.872 1.00 0.00 C ATOM 750 O PHE A 54 -16.462 -3.695 3.170 1.00 0.00 O ATOM 751 CB PHE A 54 -13.813 -5.631 3.498 1.00 0.00 C ATOM 752 CG PHE A 54 -14.330 -6.718 4.413 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.257 -6.396 5.420 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.853 -8.037 4.303 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.756 -7.396 6.263 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.354 -9.039 5.149 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.321 -8.724 6.116 1.00 0.00 C ATOM 0 H PHE A 54 -14.394 -3.141 2.391 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.825 -6.008 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.887 -5.980 3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.561 -4.762 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.585 -5.374 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.101 -8.279 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.477 -7.146 7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.995 -10.053 5.056 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.730 -9.500 6.746 1.00 0.00 H new ATOM 767 N SER A 55 -17.016 -5.862 2.996 1.00 0.00 N ATOM 768 CA SER A 55 -18.301 -5.701 3.645 1.00 0.00 C ATOM 769 C SER A 55 -18.784 -7.056 4.138 1.00 0.00 C ATOM 770 O SER A 55 -18.896 -8.022 3.368 1.00 0.00 O ATOM 771 CB SER A 55 -19.322 -5.051 2.714 1.00 0.00 C ATOM 772 OG SER A 55 -18.930 -5.059 1.350 1.00 0.00 O ATOM 0 H SER A 55 -16.835 -6.805 2.651 1.00 0.00 H new ATOM 0 HA SER A 55 -18.186 -5.031 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.275 -5.571 2.813 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.486 -4.021 3.031 1.00 0.00 H new ATOM 0 HG SER A 55 -18.941 -4.143 1.001 1.00 0.00 H new ATOM 778 N GLN A 56 -19.070 -7.119 5.433 1.00 0.00 N ATOM 779 CA GLN A 56 -19.461 -8.340 6.102 1.00 0.00 C ATOM 780 C GLN A 56 -20.835 -8.847 5.655 1.00 0.00 C ATOM 781 O GLN A 56 -21.126 -10.033 5.808 1.00 0.00 O ATOM 782 CB GLN A 56 -19.444 -8.095 7.618 1.00 0.00 C ATOM 783 CG GLN A 56 -19.146 -9.378 8.407 1.00 0.00 C ATOM 784 CD GLN A 56 -17.876 -9.272 9.272 1.00 0.00 C ATOM 785 OE1 GLN A 56 -16.909 -8.596 8.936 1.00 0.00 O ATOM 786 NE2 GLN A 56 -17.807 -9.940 10.407 1.00 0.00 N ATOM 0 H GLN A 56 -19.034 -6.308 6.051 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.748 -9.119 5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.693 -7.342 7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.408 -7.693 7.931 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.997 -9.610 9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.036 -10.209 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.596 -10.510 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.965 -9.886 10.980 1.00 0.00 H new ATOM 795 N SER A 57 -21.678 -7.973 5.104 1.00 0.00 N ATOM 796 CA SER A 57 -23.035 -8.298 4.683 1.00 0.00 C ATOM 797 C SER A 57 -23.095 -8.663 3.192 1.00 0.00 C ATOM 798 O SER A 57 -24.186 -8.910 2.678 1.00 0.00 O ATOM 799 CB SER A 57 -23.909 -7.059 4.956 1.00 0.00 C ATOM 800 OG SER A 57 -25.314 -7.269 4.972 1.00 0.00 O ATOM 0 H SER A 57 -21.428 -6.999 4.936 1.00 0.00 H new ATOM 0 HA SER A 57 -23.392 -9.166 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.615 -6.639 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.684 -6.308 4.198 1.00 0.00 H new ATOM 0 HG SER A 57 -25.564 -7.868 4.238 1.00 0.00 H new ATOM 806 N VAL A 58 -21.983 -8.579 2.461 1.00 0.00 N ATOM 807 CA VAL A 58 -21.936 -8.516 1.000 1.00 0.00 C ATOM 808 C VAL A 58 -21.331 -9.817 0.482 1.00 0.00 C ATOM 809 O VAL A 58 -22.044 -10.595 -0.154 1.00 0.00 O ATOM 810 CB VAL A 58 -21.137 -7.254 0.615 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.593 -7.206 -0.819 1.00 0.00 C ATOM 812 CG2 VAL A 58 -22.016 -6.020 0.867 1.00 0.00 C ATOM 0 H VAL A 58 -21.056 -8.552 2.886 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.922 -8.429 0.543 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.247 -7.274 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.050 -6.273 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.920 -8.048 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.422 -7.263 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.464 -5.119 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.919 -6.086 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -22.290 -5.978 1.921 1.00 0.00 H new ATOM 822 N SER A 59 -20.039 -10.024 0.748 1.00 0.00 N ATOM 823 CA SER A 59 -19.274 -11.189 0.320 1.00 0.00 C ATOM 824 C SER A 59 -18.264 -11.628 1.392 1.00 0.00 C ATOM 825 O SER A 59 -17.624 -12.661 1.213 1.00 0.00 O ATOM 826 CB SER A 59 -18.549 -10.879 -1.002 1.00 0.00 C ATOM 827 OG SER A 59 -19.447 -10.493 -2.033 1.00 0.00 O ATOM 0 H SER A 59 -19.481 -9.360 1.286 1.00 0.00 H new ATOM 0 HA SER A 59 -19.970 -12.014 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.824 -10.082 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.989 -11.758 -1.321 1.00 0.00 H new ATOM 0 HG SER A 59 -18.938 -10.170 -2.806 1.00 0.00 H new ATOM 833 N ASN A 60 -18.109 -10.884 2.500 1.00 0.00 N ATOM 834 CA ASN A 60 -17.148 -11.170 3.573 1.00 0.00 C ATOM 835 C ASN A 60 -15.704 -11.316 3.057 1.00 0.00 C ATOM 836 O ASN A 60 -14.905 -12.058 3.622 1.00 0.00 O ATOM 837 CB ASN A 60 -17.625 -12.383 4.388 1.00 0.00 C ATOM 838 CG ASN A 60 -16.933 -12.484 5.739 1.00 0.00 C ATOM 839 OD1 ASN A 60 -17.207 -11.690 6.634 1.00 0.00 O ATOM 840 ND2 ASN A 60 -16.090 -13.475 5.954 1.00 0.00 N ATOM 0 H ASN A 60 -18.664 -10.046 2.677 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.114 -10.310 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.702 -12.314 4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.440 -13.294 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.658 -13.588 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -15.870 -14.129 5.203 1.00 0.00 H new ATOM 847 N SER A 61 -15.348 -10.589 1.997 1.00 0.00 N ATOM 848 CA SER A 61 -14.032 -10.599 1.363 1.00 0.00 C ATOM 849 C SER A 61 -13.610 -9.159 1.118 1.00 0.00 C ATOM 850 O SER A 61 -14.484 -8.304 0.940 1.00 0.00 O ATOM 851 CB SER A 61 -14.134 -11.313 0.012 1.00 0.00 C ATOM 852 OG SER A 61 -14.653 -12.616 0.174 1.00 0.00 O ATOM 0 H SER A 61 -15.998 -9.950 1.538 1.00 0.00 H new ATOM 0 HA SER A 61 -13.310 -11.109 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.775 -10.742 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.150 -11.364 -0.453 1.00 0.00 H new ATOM 0 HG SER A 61 -15.599 -12.563 0.423 1.00 0.00 H new ATOM 858 N TRP A 62 -12.302 -8.897 1.073 1.00 0.00 N ATOM 859 CA TRP A 62 -11.817 -7.696 0.415 1.00 0.00 C ATOM 860 C TRP A 62 -12.013 -7.905 -1.092 1.00 0.00 C ATOM 861 O TRP A 62 -11.872 -9.027 -1.596 1.00 0.00 O ATOM 862 CB TRP A 62 -10.357 -7.408 0.800 1.00 0.00 C ATOM 863 CG TRP A 62 -10.153 -6.963 2.219 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.765 -7.734 3.262 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.358 -5.629 2.771 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.719 -6.968 4.412 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.140 -5.674 4.179 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.757 -4.395 2.219 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.352 -4.554 4.999 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -11.003 -3.276 3.035 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.822 -3.363 4.426 1.00 0.00 C ATOM 0 H TRP A 62 -11.578 -9.490 1.477 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.372 -6.814 0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.767 -8.308 0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.966 -6.639 0.134 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.528 -8.786 3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.412 -7.316 5.320 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.876 -4.307 1.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.155 -4.609 6.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.332 -2.348 2.592 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.045 -2.513 5.054 1.00 0.00 H new ATOM 882 N GLN A 63 -12.400 -6.844 -1.797 1.00 0.00 N ATOM 883 CA GLN A 63 -12.554 -6.786 -3.243 1.00 0.00 C ATOM 884 C GLN A 63 -11.908 -5.483 -3.680 1.00 0.00 C ATOM 885 O GLN A 63 -12.157 -4.439 -3.074 1.00 0.00 O ATOM 886 CB GLN A 63 -14.035 -6.845 -3.688 1.00 0.00 C ATOM 887 CG GLN A 63 -14.802 -7.957 -2.961 1.00 0.00 C ATOM 888 CD GLN A 63 -15.929 -8.634 -3.737 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.569 -8.070 -4.627 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.238 -9.870 -3.377 1.00 0.00 N ATOM 0 H GLN A 63 -12.626 -5.956 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.081 -7.652 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.513 -5.885 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.085 -7.012 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.087 -8.723 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.222 -7.538 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.707 -10.334 -2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.007 -10.358 -3.836 1.00 0.00 H new ATOM 899 N THR A 64 -11.080 -5.546 -4.714 1.00 0.00 N ATOM 900 CA THR A 64 -10.450 -4.379 -5.317 1.00 0.00 C ATOM 901 C THR A 64 -11.562 -3.635 -6.066 1.00 0.00 C ATOM 902 O THR A 64 -11.891 -3.966 -7.207 1.00 0.00 O ATOM 903 CB THR A 64 -9.271 -4.813 -6.213 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.332 -5.599 -5.498 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.495 -3.614 -6.767 1.00 0.00 C ATOM 0 H THR A 64 -10.823 -6.424 -5.165 1.00 0.00 H new ATOM 0 HA THR A 64 -10.008 -3.708 -4.581 1.00 0.00 H new ATOM 0 HB THR A 64 -9.724 -5.384 -7.023 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.600 -5.858 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.675 -3.968 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.163 -2.992 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.094 -3.027 -5.941 1.00 0.00 H new ATOM 913 N VAL A 65 -12.183 -2.649 -5.417 1.00 0.00 N ATOM 914 CA VAL A 65 -13.300 -1.893 -5.969 1.00 0.00 C ATOM 915 C VAL A 65 -12.809 -0.848 -6.972 1.00 0.00 C ATOM 916 O VAL A 65 -13.541 -0.523 -7.910 1.00 0.00 O ATOM 917 CB VAL A 65 -14.155 -1.274 -4.844 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.952 -2.372 -4.114 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.336 -0.456 -3.832 1.00 0.00 C ATOM 0 H VAL A 65 -11.917 -2.351 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.946 -2.579 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.838 -0.576 -5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.551 -1.922 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.608 -2.877 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.262 -3.095 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.001 -0.050 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.593 -1.099 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.833 0.362 -4.348 1.00 0.00 H new ATOM 929 N ALA A 66 -11.562 -0.382 -6.854 1.00 0.00 N ATOM 930 CA ALA A 66 -10.878 0.336 -7.914 1.00 0.00 C ATOM 931 C ALA A 66 -9.451 -0.188 -7.987 1.00 0.00 C ATOM 932 O ALA A 66 -8.860 -0.568 -6.976 1.00 0.00 O ATOM 933 CB ALA A 66 -10.928 1.847 -7.675 1.00 0.00 C ATOM 0 H ALA A 66 -11.001 -0.498 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.373 0.167 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.408 2.361 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.967 2.176 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.445 2.082 -6.727 1.00 0.00 H new ATOM 939 N ASN A 67 -8.899 -0.193 -9.194 1.00 0.00 N ATOM 940 CA ASN A 67 -7.538 -0.599 -9.496 1.00 0.00 C ATOM 941 C ASN A 67 -6.938 0.453 -10.425 1.00 0.00 C ATOM 942 O ASN A 67 -7.644 0.977 -11.291 1.00 0.00 O ATOM 943 CB ASN A 67 -7.556 -1.978 -10.170 1.00 0.00 C ATOM 944 CG ASN A 67 -6.182 -2.389 -10.663 1.00 0.00 C ATOM 945 OD1 ASN A 67 -5.303 -2.820 -9.775 1.00 0.00 O flip ATOM 946 ND2 ASN A 67 -5.903 -2.299 -11.853 1.00 0.00 N flip ATOM 0 H ASN A 67 -9.414 0.100 -10.024 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.938 -0.675 -8.589 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.925 -2.722 -9.464 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.252 -1.962 -11.009 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.601 -1.963 -12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.973 -2.560 -12.180 1.00 0.00 H new ATOM 953 N HIS A 68 -5.644 0.736 -10.262 1.00 0.00 N ATOM 954 CA HIS A 68 -4.920 1.798 -10.964 1.00 0.00 C ATOM 955 C HIS A 68 -5.699 3.128 -10.939 1.00 0.00 C ATOM 956 O HIS A 68 -6.116 3.663 -11.965 1.00 0.00 O ATOM 957 CB HIS A 68 -4.471 1.350 -12.372 1.00 0.00 C ATOM 958 CG HIS A 68 -3.171 0.577 -12.386 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.944 -0.668 -11.864 1.00 0.00 N flip ATOM 960 CD2 HIS A 68 -1.989 1.012 -12.943 1.00 0.00 C flip ATOM 961 CE1 HIS A 68 -1.598 -0.989 -12.095 1.00 0.00 C flip ATOM 962 NE2 HIS A 68 -1.063 0.058 -12.749 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.051 0.215 -9.616 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.996 1.997 -10.421 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.254 0.732 -12.812 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.365 2.230 -13.006 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.834 1.954 -13.447 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.091 -1.898 -11.805 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.092 0.119 -13.054 1.00 0.00 H new ATOM 970 N VAL A 69 -5.877 3.680 -9.741 1.00 0.00 N ATOM 971 CA VAL A 69 -6.383 5.026 -9.507 1.00 0.00 C ATOM 972 C VAL A 69 -5.205 5.978 -9.664 1.00 0.00 C ATOM 973 O VAL A 69 -4.132 5.724 -9.111 1.00 0.00 O ATOM 974 CB VAL A 69 -7.042 5.090 -8.108 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.029 6.459 -7.427 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.506 4.636 -8.216 1.00 0.00 C ATOM 0 H VAL A 69 -5.664 3.182 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.157 5.312 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.433 4.434 -7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.516 6.386 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.999 6.789 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.563 7.179 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.974 4.680 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.041 5.293 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.543 3.613 -8.590 1.00 0.00 H new ATOM 986 N LYS A 70 -5.412 7.068 -10.405 1.00 0.00 N ATOM 987 CA LYS A 70 -4.438 8.130 -10.613 1.00 0.00 C ATOM 988 C LYS A 70 -5.012 9.424 -10.043 1.00 0.00 C ATOM 989 O LYS A 70 -5.259 10.388 -10.765 1.00 0.00 O ATOM 990 CB LYS A 70 -4.162 8.237 -12.113 1.00 0.00 C ATOM 991 CG LYS A 70 -3.574 6.940 -12.701 1.00 0.00 C ATOM 992 CD LYS A 70 -4.099 6.698 -14.116 1.00 0.00 C ATOM 993 CE LYS A 70 -5.544 6.200 -14.042 1.00 0.00 C ATOM 994 NZ LYS A 70 -6.096 5.931 -15.381 1.00 0.00 N ATOM 0 H LYS A 70 -6.293 7.237 -10.891 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.495 7.924 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.089 8.480 -12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.470 9.060 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.486 7.004 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.834 6.096 -12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.049 7.619 -14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.475 5.965 -14.627 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.586 5.291 -13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.160 6.944 -13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.076 5.595 -15.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.079 6.804 -15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.523 5.203 -15.853 1.00 0.00 H new ATOM 1008 N THR A 71 -5.364 9.404 -8.768 1.00 0.00 N ATOM 1009 CA THR A 71 -5.827 10.555 -8.011 1.00 0.00 C ATOM 1010 C THR A 71 -5.669 10.208 -6.535 1.00 0.00 C ATOM 1011 O THR A 71 -5.295 9.083 -6.187 1.00 0.00 O ATOM 1012 CB THR A 71 -7.264 10.958 -8.424 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.778 12.033 -7.667 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.277 9.817 -8.406 1.00 0.00 C ATOM 0 H THR A 71 -5.334 8.551 -8.210 1.00 0.00 H new ATOM 0 HA THR A 71 -5.234 11.445 -8.223 1.00 0.00 H new ATOM 0 HB THR A 71 -7.137 11.271 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.685 12.244 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.254 10.193 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.958 9.037 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.343 9.405 -7.399 1.00 0.00 H new ATOM 1022 N THR A 72 -5.976 11.168 -5.677 1.00 0.00 N ATOM 1023 CA THR A 72 -6.024 11.026 -4.226 1.00 0.00 C ATOM 1024 C THR A 72 -7.467 11.107 -3.700 1.00 0.00 C ATOM 1025 O THR A 72 -7.680 11.037 -2.487 1.00 0.00 O ATOM 1026 CB THR A 72 -5.089 12.070 -3.588 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.401 13.388 -3.989 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.626 11.821 -3.966 1.00 0.00 C ATOM 0 H THR A 72 -6.210 12.112 -5.985 1.00 0.00 H new ATOM 0 HA THR A 72 -5.668 10.036 -3.941 1.00 0.00 H new ATOM 0 HB THR A 72 -5.234 11.965 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.784 14.016 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.996 12.577 -3.498 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.324 10.832 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.516 11.876 -5.049 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.450 11.289 -4.599 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.828 11.601 -4.262 1.00 0.00 C ATOM 1038 C LEU A 73 -10.756 10.875 -5.241 1.00 0.00 C ATOM 1039 O LEU A 73 -10.856 11.293 -6.400 1.00 0.00 O ATOM 1040 CB LEU A 73 -9.961 13.128 -4.323 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.194 13.711 -3.624 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -11.203 13.405 -2.141 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.135 15.230 -3.774 1.00 0.00 C ATOM 0 H LEU A 73 -8.292 11.219 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.109 11.265 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.070 13.571 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.980 13.432 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.084 13.273 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.094 13.837 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.207 12.325 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.315 13.832 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.001 15.678 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.223 15.606 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.139 15.492 -4.832 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.362 9.755 -4.830 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.006 8.799 -5.739 1.00 0.00 C ATOM 1057 C TYR A 74 -13.384 8.355 -5.253 1.00 0.00 C ATOM 1058 O TYR A 74 -13.516 7.845 -4.143 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.098 7.585 -5.961 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.633 6.671 -7.044 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.433 7.012 -8.394 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.411 5.545 -6.711 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -12.014 6.235 -9.409 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -12.995 4.765 -7.726 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.807 5.116 -9.082 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.402 4.412 -10.083 1.00 0.00 O ATOM 0 H TYR A 74 -11.420 9.484 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.160 9.315 -6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.098 7.924 -6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.003 7.027 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.832 7.872 -8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.560 5.280 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.853 6.496 -10.445 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.587 3.899 -7.469 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.914 3.669 -9.701 1.00 0.00 H new ATOM 1076 N THR A 75 -14.386 8.544 -6.110 1.00 0.00 N ATOM 1077 CA THR A 75 -15.745 8.032 -6.019 1.00 0.00 C ATOM 1078 C THR A 75 -15.774 6.506 -6.261 1.00 0.00 C ATOM 1079 O THR A 75 -15.806 6.042 -7.406 1.00 0.00 O ATOM 1080 CB THR A 75 -16.564 8.759 -7.097 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.421 10.168 -7.056 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.060 8.425 -7.035 1.00 0.00 C ATOM 0 H THR A 75 -14.254 9.104 -6.952 1.00 0.00 H new ATOM 0 HA THR A 75 -16.157 8.207 -5.025 1.00 0.00 H new ATOM 0 HB THR A 75 -16.149 8.390 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.963 10.573 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.587 8.968 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.200 7.353 -7.178 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.458 8.716 -6.063 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.810 5.703 -5.204 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.192 4.295 -5.278 1.00 0.00 C ATOM 1092 C VAL A 76 -17.691 4.222 -5.607 1.00 0.00 C ATOM 1093 O VAL A 76 -18.461 5.087 -5.184 1.00 0.00 O ATOM 1094 CB VAL A 76 -15.876 3.621 -3.929 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.081 2.103 -4.020 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.412 3.858 -3.506 1.00 0.00 C ATOM 0 H VAL A 76 -15.573 6.013 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.636 3.772 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.553 4.062 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.852 1.647 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.117 1.891 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.420 1.692 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.226 3.368 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.744 3.445 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.231 4.928 -3.407 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.138 3.205 -6.352 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.547 3.024 -6.734 1.00 0.00 C ATOM 1108 C ARG A 77 -19.915 1.547 -6.670 1.00 0.00 C ATOM 1109 O ARG A 77 -19.072 0.704 -6.358 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.817 3.541 -8.160 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.262 4.934 -8.470 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.315 5.245 -9.967 1.00 0.00 C ATOM 1113 NE ARG A 77 -18.521 6.448 -10.282 1.00 0.00 N ATOM 1114 CZ ARG A 77 -17.586 6.570 -11.234 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -17.321 5.580 -12.076 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -16.918 7.708 -11.368 1.00 0.00 N ATOM 0 H ARG A 77 -17.525 2.474 -6.712 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.154 3.597 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.392 2.833 -8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.894 3.552 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.834 5.683 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.232 5.001 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.935 4.395 -10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.350 5.396 -10.275 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.703 7.275 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.834 4.701 -12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.604 5.698 -12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.116 8.492 -10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.207 7.799 -12.093 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.159 1.233 -7.029 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.618 -0.144 -7.173 1.00 0.00 C ATOM 1132 C GLY A 78 -21.605 -0.867 -5.836 1.00 0.00 C ATOM 1133 O GLY A 78 -21.035 -1.953 -5.723 1.00 0.00 O ATOM 0 H GLY A 78 -21.877 1.929 -7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.627 -0.153 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.979 -0.671 -7.882 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.196 -0.227 -4.827 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.223 -0.696 -3.442 1.00 0.00 C ATOM 1139 C LEU A 79 -23.669 -1.003 -3.051 1.00 0.00 C ATOM 1140 O LEU A 79 -24.523 -1.210 -3.917 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.543 0.330 -2.508 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.139 0.748 -2.975 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.661 1.937 -2.154 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.103 -0.377 -2.903 1.00 0.00 C ATOM 0 H LEU A 79 -22.684 0.659 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.650 -1.618 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.172 1.217 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.473 -0.093 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.231 1.015 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.666 2.232 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.350 2.771 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.625 1.660 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.138 -0.006 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.012 -0.722 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.421 -1.205 -3.536 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.961 -1.057 -1.749 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.296 -1.362 -1.220 1.00 0.00 C ATOM 1158 C ARG A 80 -25.699 -0.340 -0.164 1.00 0.00 C ATOM 1159 O ARG A 80 -24.843 0.013 0.651 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.381 -2.782 -0.627 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.265 -3.799 -1.757 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.506 -5.257 -1.365 1.00 0.00 C ATOM 1163 NE ARG A 80 -25.814 -6.062 -2.561 1.00 0.00 N ATOM 1164 CZ ARG A 80 -25.001 -6.886 -3.238 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -23.791 -7.188 -2.772 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -25.400 -7.380 -4.400 1.00 0.00 N ATOM 0 H ARG A 80 -23.267 -0.888 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.987 -1.312 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.584 -2.935 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.325 -2.913 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.976 -3.530 -2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.269 -3.719 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.624 -5.657 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -26.330 -5.319 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.766 -5.982 -2.919 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -23.471 -6.791 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -23.184 -7.816 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -26.317 -7.133 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -24.790 -8.008 -4.924 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.965 0.102 -0.150 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.490 0.988 0.876 1.00 0.00 C ATOM 1182 C PRO A 81 -27.639 0.271 2.215 1.00 0.00 C ATOM 1183 O PRO A 81 -27.660 -0.964 2.265 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.809 1.508 0.319 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.269 0.462 -0.691 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.983 -0.209 -1.141 1.00 0.00 C ATOM 0 HA PRO A 81 -26.815 1.815 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.545 1.637 1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.678 2.480 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.955 -0.254 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.794 0.921 -1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.121 -1.287 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.685 0.152 -2.125 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.713 1.057 3.299 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.799 0.605 4.695 1.00 0.00 C ATOM 1196 C ASN A 82 -26.769 -0.476 5.063 1.00 0.00 C ATOM 1197 O ASN A 82 -26.949 -1.204 6.042 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.245 0.172 5.010 1.00 0.00 C ATOM 1199 CG ASN A 82 -30.146 1.384 5.141 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -30.926 1.686 4.239 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.051 2.094 6.248 1.00 0.00 N ATOM 0 H ASN A 82 -27.715 2.074 3.222 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.537 1.452 5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.616 -0.480 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.265 -0.405 5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -30.635 2.921 6.375 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -29.394 1.816 6.977 1.00 0.00 H new ATOM 1208 N THR A 83 -25.671 -0.583 4.321 1.00 0.00 N ATOM 1209 CA THR A 83 -24.693 -1.651 4.401 1.00 0.00 C ATOM 1210 C THR A 83 -23.359 -1.001 4.731 1.00 0.00 C ATOM 1211 O THR A 83 -22.914 -0.085 4.040 1.00 0.00 O ATOM 1212 CB THR A 83 -24.753 -2.528 3.130 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.971 -3.244 3.163 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.647 -3.575 3.099 1.00 0.00 C ATOM 0 H THR A 83 -25.432 0.111 3.613 1.00 0.00 H new ATOM 0 HA THR A 83 -24.891 -2.369 5.197 1.00 0.00 H new ATOM 0 HB THR A 83 -24.651 -1.872 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.700 -2.664 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.731 -4.166 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.676 -3.080 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.741 -4.229 3.966 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.772 -1.421 5.852 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.419 -1.070 6.227 1.00 0.00 C ATOM 1224 C ILE A 84 -20.485 -1.549 5.126 1.00 0.00 C ATOM 1225 O ILE A 84 -20.685 -2.619 4.548 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.055 -1.712 7.584 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.841 -1.133 8.779 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.551 -1.625 7.902 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.924 0.391 8.866 1.00 0.00 C ATOM 0 H ILE A 84 -23.238 -2.024 6.530 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.324 0.010 6.343 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.341 -2.756 7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.856 -1.529 8.744 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.386 -1.503 9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.356 -2.092 8.867 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.985 -2.142 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.246 -0.579 7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.501 0.674 9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.919 0.806 8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.412 0.780 7.972 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.422 -0.786 4.912 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.232 -1.210 4.189 1.00 0.00 C ATOM 1243 C TYR A 85 -17.021 -0.733 4.968 1.00 0.00 C ATOM 1244 O TYR A 85 -17.109 0.211 5.755 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.188 -0.616 2.769 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.145 -1.226 1.761 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.525 -0.967 1.847 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.655 -2.042 0.724 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.423 -1.559 0.945 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.542 -2.624 -0.199 1.00 0.00 C ATOM 1251 CZ TYR A 85 -20.931 -2.403 -0.073 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.792 -3.014 -0.926 1.00 0.00 O ATOM 0 H TYR A 85 -19.363 0.175 5.248 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.242 -2.296 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.396 0.452 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.173 -0.719 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.898 -0.306 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.594 -2.222 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.483 -1.370 1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.162 -3.238 -1.002 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.287 -3.558 -1.566 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.891 -1.369 4.694 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.553 -0.865 4.941 1.00 0.00 C ATOM 1264 C LEU A 86 -13.906 -0.613 3.612 1.00 0.00 C ATOM 1265 O LEU A 86 -14.381 -1.135 2.608 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.721 -1.856 5.762 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.293 -2.171 7.150 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.774 -3.527 7.608 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.933 -1.089 8.167 1.00 0.00 C ATOM 0 H LEU A 86 -15.885 -2.298 4.272 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.611 0.056 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.630 -2.786 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.714 -1.455 5.880 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.380 -2.197 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.177 -3.757 8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.087 -4.294 6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.685 -3.502 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.356 -1.347 9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.849 -1.015 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.337 -0.132 7.838 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.838 0.174 3.638 1.00 0.00 N ATOM 1282 CA PHE A 87 -12.029 0.540 2.499 1.00 0.00 C ATOM 1283 C PHE A 87 -10.578 0.587 2.957 1.00 0.00 C ATOM 1284 O PHE A 87 -10.309 1.027 4.085 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.491 1.894 1.946 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.940 1.903 1.493 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.271 1.293 0.271 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.956 2.464 2.296 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.610 1.231 -0.147 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.296 2.433 1.860 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.619 1.808 0.640 1.00 0.00 C ATOM 0 H PHE A 87 -12.501 0.593 4.505 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.130 -0.189 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.354 2.656 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.854 2.170 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.493 0.871 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.707 2.917 3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.864 0.739 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.072 2.887 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.646 1.773 0.309 1.00 0.00 H new ATOM 1301 N MET A 88 -9.653 0.166 2.091 1.00 0.00 N ATOM 1302 CA MET A 88 -8.235 0.424 2.263 1.00 0.00 C ATOM 1303 C MET A 88 -7.631 0.797 0.918 1.00 0.00 C ATOM 1304 O MET A 88 -8.088 0.320 -0.120 1.00 0.00 O ATOM 1305 CB MET A 88 -7.494 -0.780 2.864 1.00 0.00 C ATOM 1306 CG MET A 88 -7.973 -1.219 4.248 1.00 0.00 C ATOM 1307 SD MET A 88 -6.878 -2.384 5.108 1.00 0.00 S ATOM 1308 CE MET A 88 -6.774 -3.740 3.907 1.00 0.00 C ATOM 0 H MET A 88 -9.875 -0.365 1.249 1.00 0.00 H new ATOM 0 HA MET A 88 -8.123 1.248 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.591 -1.623 2.180 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.433 -0.539 2.925 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.096 -0.333 4.871 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.957 -1.677 4.147 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.237 -4.578 4.350 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.779 -4.059 3.630 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.244 -3.399 3.018 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.602 1.636 0.926 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.902 2.089 -0.262 1.00 0.00 C ATOM 1320 C VAL A 89 -4.505 1.459 -0.215 1.00 0.00 C ATOM 1321 O VAL A 89 -3.923 1.258 0.856 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.853 3.633 -0.283 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.243 4.169 -1.584 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.243 4.270 -0.125 1.00 0.00 C ATOM 0 H VAL A 89 -6.223 2.030 1.787 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.407 1.786 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.228 3.907 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.228 5.259 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.225 3.794 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.842 3.836 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.150 5.356 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.887 3.945 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.678 3.962 0.826 1.00 0.00 H new ATOM 1334 N ARG A 90 -3.922 1.209 -1.385 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.511 0.872 -1.538 1.00 0.00 C ATOM 1336 C ARG A 90 -1.945 1.792 -2.592 1.00 0.00 C ATOM 1337 O ARG A 90 -2.650 2.142 -3.538 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.347 -0.584 -1.981 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.780 -1.563 -0.892 1.00 0.00 C ATOM 1340 CD ARG A 90 -2.745 -2.981 -1.455 1.00 0.00 C ATOM 1341 NE ARG A 90 -3.264 -3.951 -0.497 1.00 0.00 N ATOM 1342 CZ ARG A 90 -2.583 -4.539 0.485 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -1.323 -4.199 0.766 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -3.198 -5.484 1.174 1.00 0.00 N ATOM 0 H ARG A 90 -4.428 1.236 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.989 0.991 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.937 -0.758 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.305 -0.769 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.118 -1.484 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.785 -1.320 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.333 -3.024 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.721 -3.243 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.248 -4.205 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.858 -3.472 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.826 -4.666 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.159 -5.738 0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.712 -5.959 1.934 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.672 2.136 -2.467 1.00 0.00 N ATOM 1359 CA ALA A 91 0.085 2.711 -3.561 1.00 0.00 C ATOM 1360 C ALA A 91 0.648 1.530 -4.339 1.00 0.00 C ATOM 1361 O ALA A 91 0.869 0.459 -3.778 1.00 0.00 O ATOM 1362 CB ALA A 91 1.194 3.620 -3.022 1.00 0.00 C ATOM 0 H ALA A 91 -0.139 2.023 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.533 3.337 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.754 4.044 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.752 4.425 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.867 3.039 -2.392 1.00 0.00 H new ATOM 1368 N ILE A 92 0.880 1.719 -5.627 1.00 0.00 N ATOM 1369 CA ILE A 92 1.394 0.718 -6.542 1.00 0.00 C ATOM 1370 C ILE A 92 2.640 1.313 -7.173 1.00 0.00 C ATOM 1371 O ILE A 92 2.743 2.530 -7.332 1.00 0.00 O ATOM 1372 CB ILE A 92 0.269 0.316 -7.537 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.211 -1.076 -7.124 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.648 0.363 -9.020 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.293 -1.691 -8.009 1.00 0.00 C ATOM 0 H ILE A 92 0.707 2.615 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 92 1.686 -0.215 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.522 1.063 -7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.647 -1.748 -7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.589 -1.022 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.209 0.064 -9.624 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.945 1.377 -9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.478 -0.319 -9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.559 -2.676 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.174 -1.050 -8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.919 -1.786 -9.028 1.00 0.00 H new ATOM 1387 N ASN A 93 3.582 0.458 -7.554 1.00 0.00 N ATOM 1388 CA ASN A 93 4.855 0.857 -8.162 1.00 0.00 C ATOM 1389 C ASN A 93 5.297 -0.213 -9.183 1.00 0.00 C ATOM 1390 O ASN A 93 4.599 -1.224 -9.329 1.00 0.00 O ATOM 1391 CB ASN A 93 5.867 1.187 -7.041 1.00 0.00 C ATOM 1392 CG ASN A 93 6.801 0.058 -6.645 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.442 -1.105 -6.713 1.00 0.00 O ATOM 1394 ND2 ASN A 93 8.010 0.381 -6.220 1.00 0.00 N ATOM 0 H ASN A 93 3.485 -0.552 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 93 4.766 1.774 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.469 2.038 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.312 1.502 -6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.664 -0.350 -5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.289 1.361 -6.171 1.00 0.00 H new ATOM 1401 N PRO A 94 6.390 -0.017 -9.944 1.00 0.00 N ATOM 1402 CA PRO A 94 6.860 -0.964 -10.960 1.00 0.00 C ATOM 1403 C PRO A 94 7.582 -2.202 -10.383 1.00 0.00 C ATOM 1404 O PRO A 94 8.475 -2.758 -11.033 1.00 0.00 O ATOM 1405 CB PRO A 94 7.720 -0.129 -11.918 1.00 0.00 C ATOM 1406 CG PRO A 94 8.158 1.099 -11.132 1.00 0.00 C ATOM 1407 CD PRO A 94 7.126 1.236 -10.021 1.00 0.00 C ATOM 0 HA PRO A 94 6.022 -1.424 -11.484 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.583 -0.698 -12.264 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.152 0.157 -12.803 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.162 0.972 -10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.179 1.987 -11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.614 1.452 -9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.449 2.065 -10.228 1.00 0.00 H new ATOM 1415 N GLN A 95 7.225 -2.629 -9.173 1.00 0.00 N ATOM 1416 CA GLN A 95 7.849 -3.706 -8.415 1.00 0.00 C ATOM 1417 C GLN A 95 6.772 -4.526 -7.698 1.00 0.00 C ATOM 1418 O GLN A 95 6.750 -5.755 -7.791 1.00 0.00 O ATOM 1419 CB GLN A 95 8.805 -3.086 -7.391 1.00 0.00 C ATOM 1420 CG GLN A 95 10.244 -3.548 -7.589 1.00 0.00 C ATOM 1421 CD GLN A 95 10.934 -3.615 -6.250 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.807 -2.710 -5.440 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.573 -4.727 -5.953 1.00 0.00 N ATOM 0 H GLN A 95 6.446 -2.206 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 95 8.400 -4.367 -9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.761 -2.000 -7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.477 -3.348 -6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.261 -4.526 -8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.772 -2.859 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.663 -5.466 -6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.978 -4.850 -5.025 1.00 0.00 H new ATOM 1432 N GLY A 96 5.910 -3.840 -6.955 1.00 0.00 N ATOM 1433 CA GLY A 96 4.928 -4.372 -6.039 1.00 0.00 C ATOM 1434 C GLY A 96 3.969 -3.256 -5.637 1.00 0.00 C ATOM 1435 O GLY A 96 3.596 -2.399 -6.455 1.00 0.00 O ATOM 0 H GLY A 96 5.884 -2.821 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.380 -5.189 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.419 -4.782 -5.157 1.00 0.00 H new ATOM 1439 N LEU A 97 3.530 -3.285 -4.379 1.00 0.00 N ATOM 1440 CA LEU A 97 2.633 -2.310 -3.792 1.00 0.00 C ATOM 1441 C LEU A 97 2.993 -2.019 -2.338 1.00 0.00 C ATOM 1442 O LEU A 97 3.833 -2.693 -1.740 1.00 0.00 O ATOM 1443 CB LEU A 97 1.186 -2.693 -3.973 1.00 0.00 C ATOM 1444 CG LEU A 97 0.732 -4.122 -3.700 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.841 -4.559 -2.240 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.710 -4.068 -4.192 1.00 0.00 C ATOM 0 H LEU A 97 3.803 -4.017 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 97 2.766 -1.375 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.596 -2.038 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.916 -2.459 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 97 1.357 -4.867 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.496 -5.588 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.880 -4.492 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.225 -3.909 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.177 -5.044 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.261 -3.320 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.724 -3.802 -5.249 1.00 0.00 H new ATOM 1458 N SER A 98 2.403 -0.962 -1.795 1.00 0.00 N ATOM 1459 CA SER A 98 2.633 -0.538 -0.430 1.00 0.00 C ATOM 1460 C SER A 98 1.903 -1.458 0.551 1.00 0.00 C ATOM 1461 O SER A 98 0.932 -2.134 0.190 1.00 0.00 O ATOM 1462 CB SER A 98 2.218 0.933 -0.281 1.00 0.00 C ATOM 1463 OG SER A 98 0.810 1.116 -0.219 1.00 0.00 O ATOM 0 H SER A 98 1.744 -0.371 -2.301 1.00 0.00 H new ATOM 0 HA SER A 98 3.694 -0.613 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.671 1.341 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.615 1.502 -1.122 1.00 0.00 H new ATOM 0 HG SER A 98 0.474 0.782 0.639 1.00 0.00 H new ATOM 1469 N ASP A 99 2.281 -1.350 1.826 1.00 0.00 N ATOM 1470 CA ASP A 99 1.419 -1.758 2.931 1.00 0.00 C ATOM 1471 C ASP A 99 0.047 -1.086 2.759 1.00 0.00 C ATOM 1472 O ASP A 99 -0.027 0.014 2.191 1.00 0.00 O ATOM 1473 CB ASP A 99 2.032 -1.346 4.282 1.00 0.00 C ATOM 1474 CG ASP A 99 3.077 -2.294 4.866 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.109 -3.484 4.482 1.00 0.00 O ATOM 1476 OD2 ASP A 99 3.816 -1.842 5.770 1.00 0.00 O ATOM 0 H ASP A 99 3.186 -0.980 2.118 1.00 0.00 H new ATOM 0 HA ASP A 99 1.313 -2.843 2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.488 -0.363 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.224 -1.239 5.006 1.00 0.00 H new ATOM 1481 N PRO A 100 -1.044 -1.688 3.261 1.00 0.00 N ATOM 1482 CA PRO A 100 -2.353 -1.056 3.217 1.00 0.00 C ATOM 1483 C PRO A 100 -2.361 0.150 4.164 1.00 0.00 C ATOM 1484 O PRO A 100 -1.770 0.100 5.252 1.00 0.00 O ATOM 1485 CB PRO A 100 -3.338 -2.145 3.650 1.00 0.00 C ATOM 1486 CG PRO A 100 -2.512 -3.029 4.587 1.00 0.00 C ATOM 1487 CD PRO A 100 -1.100 -2.941 4.007 1.00 0.00 C ATOM 0 HA PRO A 100 -2.619 -0.675 2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.204 -1.722 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.713 -2.708 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.547 -2.668 5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.879 -4.055 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.352 -2.956 4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.893 -3.791 3.357 1.00 0.00 H new ATOM 1495 N SER A 101 -3.028 1.235 3.777 1.00 0.00 N ATOM 1496 CA SER A 101 -3.282 2.354 4.675 1.00 0.00 C ATOM 1497 C SER A 101 -4.086 1.898 5.920 1.00 0.00 C ATOM 1498 O SER A 101 -4.764 0.860 5.879 1.00 0.00 O ATOM 1499 CB SER A 101 -3.978 3.480 3.885 1.00 0.00 C ATOM 1500 OG SER A 101 -5.004 3.013 3.031 1.00 0.00 O ATOM 0 H SER A 101 -3.405 1.361 2.838 1.00 0.00 H new ATOM 0 HA SER A 101 -2.341 2.746 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.399 4.200 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.234 4.011 3.291 1.00 0.00 H new ATOM 0 HG SER A 101 -5.558 2.362 3.510 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.099 2.692 7.007 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.014 2.506 8.136 1.00 0.00 C ATOM 1508 C PRO A 102 -6.456 2.478 7.635 1.00 0.00 C ATOM 1509 O PRO A 102 -6.801 3.355 6.845 1.00 0.00 O ATOM 1510 CB PRO A 102 -4.807 3.722 9.044 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.449 4.286 8.641 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.295 3.889 7.183 1.00 0.00 C ATOM 0 HA PRO A 102 -4.822 1.570 8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.598 4.459 8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.820 3.436 10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.416 5.369 8.764 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.648 3.871 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.634 4.688 6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.250 3.697 6.939 1.00 0.00 H new ATOM 1520 N MET A 103 -7.279 1.493 8.004 1.00 0.00 N ATOM 1521 CA MET A 103 -8.647 1.348 7.511 1.00 0.00 C ATOM 1522 C MET A 103 -9.464 2.637 7.613 1.00 0.00 C ATOM 1523 O MET A 103 -9.290 3.441 8.530 1.00 0.00 O ATOM 1524 CB MET A 103 -9.359 0.209 8.267 1.00 0.00 C ATOM 1525 CG MET A 103 -9.409 -1.044 7.399 1.00 0.00 C ATOM 1526 SD MET A 103 -10.409 -2.381 8.051 1.00 0.00 S ATOM 1527 CE MET A 103 -9.118 -3.502 8.632 1.00 0.00 C ATOM 0 H MET A 103 -7.007 0.764 8.664 1.00 0.00 H new ATOM 0 HA MET A 103 -8.576 1.107 6.450 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.833 -0.005 9.198 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.370 0.516 8.535 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.792 -0.771 6.416 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.392 -1.408 7.255 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.576 -4.390 9.068 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.486 -3.795 7.794 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.512 -2.999 9.385 1.00 0.00 H new ATOM 1537 N SER A 104 -10.438 2.779 6.709 1.00 0.00 N ATOM 1538 CA SER A 104 -11.376 3.901 6.677 1.00 0.00 C ATOM 1539 C SER A 104 -12.234 4.048 7.928 1.00 0.00 C ATOM 1540 O SER A 104 -12.913 5.067 8.090 1.00 0.00 O ATOM 1541 CB SER A 104 -12.276 3.718 5.447 1.00 0.00 C ATOM 1542 OG SER A 104 -13.048 2.526 5.552 1.00 0.00 O ATOM 0 H SER A 104 -10.598 2.101 5.964 1.00 0.00 H new ATOM 0 HA SER A 104 -10.787 4.817 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.939 4.577 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.663 3.681 4.546 1.00 0.00 H new ATOM 0 HG SER A 104 -13.671 2.605 6.304 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.228 3.028 8.785 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.259 2.717 9.761 1.00 0.00 C ATOM 1550 C ASP A 105 -14.550 2.326 9.011 1.00 0.00 C ATOM 1551 O ASP A 105 -14.722 2.688 7.839 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.431 3.890 10.742 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.350 3.476 12.214 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -12.246 3.092 12.655 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.335 3.628 12.974 1.00 0.00 O ATOM 0 H ASP A 105 -11.457 2.361 8.814 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.977 1.862 10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.663 4.637 10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.394 4.367 10.560 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.448 1.539 9.621 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.635 1.043 8.940 1.00 0.00 C ATOM 1562 C PRO A 106 -17.615 2.189 8.704 1.00 0.00 C ATOM 1563 O PRO A 106 -17.842 3.003 9.601 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.221 -0.040 9.843 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.638 0.245 11.218 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.336 0.987 10.953 1.00 0.00 C ATOM 0 HA PRO A 106 -16.407 0.628 7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.310 0.004 9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.947 -1.036 9.496 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.320 0.848 11.818 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.460 -0.678 11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.181 1.776 11.689 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.483 0.313 11.024 1.00 0.00 H new ATOM 1574 N VAL A 107 -18.218 2.247 7.519 1.00 0.00 N ATOM 1575 CA VAL A 107 -19.063 3.366 7.103 1.00 0.00 C ATOM 1576 C VAL A 107 -20.386 2.877 6.552 1.00 0.00 C ATOM 1577 O VAL A 107 -20.429 2.046 5.640 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.320 4.265 6.099 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.399 5.167 6.922 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.537 3.495 5.027 1.00 0.00 C ATOM 0 H VAL A 107 -18.134 1.514 6.815 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.287 3.971 7.982 1.00 0.00 H new ATOM 0 HB VAL A 107 -19.050 4.840 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.846 5.828 6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.996 5.764 7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.698 4.553 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.043 4.201 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.789 2.864 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -18.223 2.872 4.452 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.479 3.390 7.115 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.819 3.016 6.710 1.00 0.00 C ATOM 1592 C ARG A 108 -23.260 3.922 5.575 1.00 0.00 C ATOM 1593 O ARG A 108 -23.240 5.150 5.696 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.767 3.138 7.908 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.985 2.195 7.827 1.00 0.00 C ATOM 1596 CD ARG A 108 -26.158 2.907 8.490 1.00 0.00 C ATOM 1597 NE ARG A 108 -27.111 2.054 9.225 1.00 0.00 N ATOM 1598 CZ ARG A 108 -27.376 2.125 10.538 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -26.544 2.694 11.402 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.510 1.609 10.990 1.00 0.00 N ATOM 0 H ARG A 108 -21.452 4.079 7.867 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.836 1.983 6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.213 2.926 8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -24.118 4.167 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.218 1.957 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.774 1.252 8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.760 3.650 9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.708 3.450 7.721 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.613 1.348 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -25.666 3.098 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -26.783 2.728 12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -29.163 1.168 10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -28.729 1.653 11.985 1.00 0.00 H new ATOM 1614 N THR A 109 -23.705 3.302 4.497 1.00 0.00 N ATOM 1615 CA THR A 109 -24.296 4.002 3.376 1.00 0.00 C ATOM 1616 C THR A 109 -25.617 4.645 3.819 1.00 0.00 C ATOM 1617 O THR A 109 -26.211 4.232 4.824 1.00 0.00 O ATOM 1618 CB THR A 109 -24.432 3.002 2.217 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.953 1.766 2.655 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.072 2.652 1.613 1.00 0.00 C ATOM 0 H THR A 109 -23.665 2.290 4.376 1.00 0.00 H new ATOM 0 HA THR A 109 -23.674 4.824 3.021 1.00 0.00 H new ATOM 0 HB THR A 109 -25.087 3.491 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.829 1.092 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.208 1.943 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.599 3.557 1.232 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.438 2.206 2.379 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.063 5.676 3.090 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.315 6.364 3.399 1.00 0.00 C ATOM 1630 C GLN A 110 -28.507 5.425 3.162 1.00 0.00 C ATOM 1631 O GLN A 110 -28.366 4.321 2.621 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.470 7.665 2.590 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.232 8.577 2.570 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.556 10.069 2.422 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.402 10.620 3.122 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -25.875 10.795 1.555 1.00 0.00 N ATOM 0 H GLN A 110 -25.570 6.050 2.279 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.291 6.644 4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.727 7.406 1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.310 8.229 2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -25.669 8.428 3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.584 8.274 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.169 10.355 0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.055 11.796 1.475 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.690 5.891 3.547 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.922 5.087 3.619 1.00 0.00 C ATOM 1647 C ASP A 111 -31.625 4.900 2.264 1.00 0.00 C ATOM 1648 O ASP A 111 -32.720 4.341 2.180 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.878 5.634 4.694 1.00 0.00 C ATOM 1650 CG ASP A 111 -31.790 4.786 5.957 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -30.714 4.777 6.590 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -32.754 4.066 6.307 1.00 0.00 O ATOM 0 H ASP A 111 -29.831 6.862 3.826 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.611 4.085 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.625 6.669 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.901 5.632 4.317 1.00 0.00 H new ATOM 1657 N SER A 112 -30.980 5.326 1.181 1.00 0.00 N ATOM 1658 CA SER A 112 -31.441 5.317 -0.197 1.00 0.00 C ATOM 1659 C SER A 112 -32.727 6.124 -0.423 1.00 0.00 C ATOM 1660 O SER A 112 -33.495 5.804 -1.334 1.00 0.00 O ATOM 1661 CB SER A 112 -31.510 3.873 -0.710 1.00 0.00 C ATOM 1662 OG SER A 112 -31.291 3.779 -2.108 1.00 0.00 O ATOM 0 H SER A 112 -30.042 5.719 1.256 1.00 0.00 H new ATOM 0 HA SER A 112 -30.707 5.848 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.767 3.270 -0.188 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.487 3.453 -0.470 1.00 0.00 H new ATOM 0 HG SER A 112 -31.344 2.840 -2.385 1.00 0.00 H new ATOM 1668 N GLY A 113 -32.951 7.190 0.338 1.00 0.00 N ATOM 1669 CA GLY A 113 -34.036 8.133 0.122 1.00 0.00 C ATOM 1670 C GLY A 113 -33.514 9.559 0.276 1.00 0.00 C ATOM 1671 O GLY A 113 -33.791 10.180 1.306 1.00 0.00 O ATOM 0 H GLY A 113 -32.367 7.425 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -34.458 7.995 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -34.838 7.950 0.837 1.00 0.00 H new ATOM 1675 N PRO A 114 -32.737 10.084 -0.689 1.00 0.00 N ATOM 1676 CA PRO A 114 -32.166 11.422 -0.604 1.00 0.00 C ATOM 1677 C PRO A 114 -33.224 12.524 -0.742 1.00 0.00 C ATOM 1678 O PRO A 114 -34.411 12.272 -0.967 1.00 0.00 O ATOM 1679 CB PRO A 114 -31.094 11.475 -1.699 1.00 0.00 C ATOM 1680 CG PRO A 114 -31.620 10.506 -2.752 1.00 0.00 C ATOM 1681 CD PRO A 114 -32.316 9.429 -1.919 1.00 0.00 C ATOM 0 HA PRO A 114 -31.731 11.610 0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -30.979 12.482 -2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -30.118 11.169 -1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -32.312 10.994 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -30.813 10.090 -3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -33.171 9.014 -2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -31.640 8.601 -1.708 1.00 0.00 H new ATOM 1689 N SER A 115 -32.769 13.765 -0.611 1.00 0.00 N ATOM 1690 CA SER A 115 -33.525 14.991 -0.796 1.00 0.00 C ATOM 1691 C SER A 115 -32.632 15.948 -1.602 1.00 0.00 C ATOM 1692 O SER A 115 -31.537 15.570 -2.038 1.00 0.00 O ATOM 1693 CB SER A 115 -33.944 15.497 0.597 1.00 0.00 C ATOM 1694 OG SER A 115 -34.585 16.758 0.542 1.00 0.00 O ATOM 0 H SER A 115 -31.799 13.950 -0.356 1.00 0.00 H new ATOM 0 HA SER A 115 -34.449 14.872 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 115 -34.614 14.771 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.063 15.568 1.235 1.00 0.00 H new ATOM 0 HG SER A 115 -34.834 17.038 1.447 1.00 0.00 H new ATOM 1700 N SER A 116 -33.102 17.165 -1.850 1.00 0.00 N ATOM 1701 CA SER A 116 -32.385 18.247 -2.503 1.00 0.00 C ATOM 1702 C SER A 116 -32.549 19.484 -1.631 1.00 0.00 C ATOM 1703 O SER A 116 -33.675 19.943 -1.426 1.00 0.00 O ATOM 1704 CB SER A 116 -32.881 18.444 -3.940 1.00 0.00 C ATOM 1705 OG SER A 116 -34.283 18.280 -4.083 1.00 0.00 O ATOM 0 H SER A 116 -34.049 17.436 -1.584 1.00 0.00 H new ATOM 0 HA SER A 116 -31.323 18.021 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 116 -32.604 19.443 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 116 -32.372 17.734 -4.592 1.00 0.00 H new ATOM 0 HG SER A 116 -34.535 18.420 -5.020 1.00 0.00 H new ATOM 1711 N GLY A 117 -31.445 19.965 -1.063 1.00 0.00 N ATOM 1712 CA GLY A 117 -31.441 21.150 -0.225 1.00 0.00 C ATOM 1713 C GLY A 117 -31.563 22.373 -1.101 1.00 0.00 C ATOM 1714 O GLY A 117 -32.317 23.284 -0.713 1.00 0.00 O ATOM 0 H GLY A 117 -30.526 19.537 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -32.267 21.112 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -30.521 21.195 0.358 1.00 0.00 H new TER 1718 GLY A 117