USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 679 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 91 THR OG1 : rot -170:sc= 0.599 USER MOD Set 1.2: A 93 THR OG1 : rot 172:sc= 0.0157 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -6.47! C(o=-12!,f=-8.9!) USER MOD Set 2.2: A 98 ASN : amide:sc= -5.92! C(o=-12!,f=-6.9!) USER MOD Set 3.1: A 81 ASN : amide:sc= -26.4! C(o=-53!,f=-27!) USER MOD Set 3.2: A 83 ASN : amide:sc= -19.8! C(o=-53!,f=-27!) USER MOD Set 3.3: A 85 GLN : amide:sc= -7.05! K(o=-53!,f=-27) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -12.4! C(o=-16!,f=-21!) USER MOD Set 4.2: A 57 TYR OH : rot -15:sc= -3.47! USER MOD Set 5.1: A 37 SER OG : rot 62:sc= 1.06 USER MOD Set 5.2: A 40 HIS : no HD1:sc= -9.3! C(o=-8.2!,f=-13!) USER MOD Set 6.1: A 6 CYS SG : rot -11:sc= -24.1! USER MOD Set 6.2: A 9 ASN : amide:sc= -17.1! C(o=-86!,f=-89!) USER MOD Set 6.3: A 11 TYR OH : rot 48:sc= -7.72! USER MOD Set 6.4: A 103 CYS SG : rot -162:sc= -36.8! USER MOD Set 7.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 2 CYS SG : rot 180:sc= 0.629 USER MOD Set 7.3: A 10 CYS SG : rot 105:sc= -7.24! USER MOD Single : A 4 TYR OH : rot -77:sc= 0.237 USER MOD Single : A 5 THR OG1 : rot -63:sc= 0.687 USER MOD Single : A 8 SER OG : rot 66:sc= 1.06 USER MOD Single : A 12 SER OG : rot 180:sc= 0.404 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -21.7! C(o=-22!,f=-23!) USER MOD Single : A 24 TYR OH : rot -86:sc= -3.92! USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.0552 (180deg=-0.456) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0234 (180deg=-0.292) USER MOD Single : A 42 TYR OH : rot 38:sc= -0.95 USER MOD Single : A 43 ASN : amide:sc= -0.668 K(o=-0.67,f=-0.016) USER MOD Single : A 44 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.79) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00367 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -53:sc= 1.14 USER MOD Single : A 63 SER OG : rot -35:sc= 0.216 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -49:sc= 0.471! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -62:sc= 0.43 USER MOD Single : A 84 ASN : amide:sc= -14.2! C(o=-14!,f=-7.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -22.2! C(o=-22!,f=-16!) USER MOD Single : A 104 THR OG1 : rot -68:sc= 0.635 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.399 -16.198 -7.955 1.00 0.00 N ATOM 2 CA ALA A 1 -6.964 -14.887 -7.685 1.00 0.00 C ATOM 3 C ALA A 1 -6.026 -14.114 -6.754 1.00 0.00 C ATOM 4 O ALA A 1 -6.404 -13.767 -5.636 1.00 0.00 O ATOM 5 CB ALA A 1 -8.368 -15.047 -7.096 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.034 -16.726 -8.587 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.470 -16.089 -8.409 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.288 -16.719 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.060 -14.314 -8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.792 -14.063 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.003 -15.576 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.311 -15.615 -6.168 1.00 0.00 H new ATOM 11 N CYS A 2 -4.823 -13.869 -7.250 1.00 0.00 N ATOM 12 CA CYS A 2 -3.829 -13.144 -6.477 1.00 0.00 C ATOM 13 C CYS A 2 -3.562 -11.807 -7.171 1.00 0.00 C ATOM 14 O CYS A 2 -2.436 -11.531 -7.583 1.00 0.00 O ATOM 15 CB CYS A 2 -2.547 -13.960 -6.298 1.00 0.00 C ATOM 16 SG CYS A 2 -2.631 -15.672 -6.939 1.00 0.00 S ATOM 0 H CYS A 2 -4.514 -14.159 -8.178 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.209 -12.961 -5.472 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.729 -13.440 -6.797 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.301 -13.996 -5.237 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.493 -16.267 -6.737 1.00 0.00 H new ATOM 21 N ASP A 3 -4.616 -11.013 -7.279 1.00 0.00 N ATOM 22 CA ASP A 3 -4.510 -9.711 -7.917 1.00 0.00 C ATOM 23 C ASP A 3 -3.193 -9.051 -7.502 1.00 0.00 C ATOM 24 O ASP A 3 -2.643 -8.237 -8.242 1.00 0.00 O ATOM 25 CB ASP A 3 -5.655 -8.791 -7.487 1.00 0.00 C ATOM 26 CG ASP A 3 -7.048 -9.247 -7.924 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.489 -10.298 -7.410 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.642 -8.533 -8.761 1.00 0.00 O ATOM 0 H ASP A 3 -5.548 -11.245 -6.936 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.553 -9.860 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.642 -8.703 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.472 -7.795 -7.890 1.00 0.00 H new ATOM 33 N TYR A 4 -2.726 -9.427 -6.321 1.00 0.00 N ATOM 34 CA TYR A 4 -1.485 -8.882 -5.799 1.00 0.00 C ATOM 35 C TYR A 4 -0.642 -9.973 -5.135 1.00 0.00 C ATOM 36 O TYR A 4 -1.010 -10.491 -4.082 1.00 0.00 O ATOM 37 CB TYR A 4 -1.887 -7.852 -4.742 1.00 0.00 C ATOM 38 CG TYR A 4 -2.695 -6.675 -5.295 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.054 -5.650 -5.961 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.065 -6.640 -5.128 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.815 -4.544 -6.482 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.825 -5.534 -5.649 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.162 -4.541 -6.299 1.00 0.00 C ATOM 44 OH TYR A 4 -4.881 -3.495 -6.791 1.00 0.00 O ATOM 0 H TYR A 4 -3.185 -10.103 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.891 -8.447 -6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.472 -8.350 -3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.986 -7.468 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.982 -5.677 -6.091 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.566 -7.442 -4.607 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.327 -3.736 -7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.897 -5.494 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.771 -2.718 -6.204 1.00 0.00 H new ATOM 54 N THR A 5 0.471 -10.290 -5.779 1.00 0.00 N ATOM 55 CA THR A 5 1.369 -11.311 -5.264 1.00 0.00 C ATOM 56 C THR A 5 2.756 -10.720 -5.004 1.00 0.00 C ATOM 57 O THR A 5 3.506 -10.453 -5.940 1.00 0.00 O ATOM 58 CB THR A 5 1.381 -12.475 -6.258 1.00 0.00 C ATOM 59 OG1 THR A 5 0.491 -13.429 -5.687 1.00 0.00 O ATOM 60 CG2 THR A 5 2.729 -13.198 -6.295 1.00 0.00 C ATOM 0 H THR A 5 0.772 -9.858 -6.653 1.00 0.00 H new ATOM 0 HA THR A 5 1.026 -11.690 -4.301 1.00 0.00 H new ATOM 0 HB THR A 5 1.140 -12.104 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.843 -13.728 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.684 -14.015 -7.015 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.510 -12.497 -6.589 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.954 -13.598 -5.307 1.00 0.00 H new ATOM 68 N CYS A 6 3.054 -10.532 -3.726 1.00 0.00 N ATOM 69 CA CYS A 6 4.336 -9.978 -3.330 1.00 0.00 C ATOM 70 C CYS A 6 5.374 -11.103 -3.353 1.00 0.00 C ATOM 71 O CYS A 6 5.960 -11.432 -2.323 1.00 0.00 O ATOM 72 CB CYS A 6 4.261 -9.299 -1.961 1.00 0.00 C ATOM 73 SG CYS A 6 3.649 -7.575 -1.991 1.00 0.00 S ATOM 0 H CYS A 6 2.428 -10.754 -2.952 1.00 0.00 H new ATOM 0 HA CYS A 6 4.630 -9.199 -4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.612 -9.889 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.254 -9.309 -1.511 1.00 0.00 H new ATOM 0 HG CYS A 6 3.598 -7.154 -3.220 1.00 0.00 H new ATOM 78 N GLY A 7 5.569 -11.660 -4.539 1.00 0.00 N ATOM 79 CA GLY A 7 6.524 -12.741 -4.711 1.00 0.00 C ATOM 80 C GLY A 7 5.892 -14.092 -4.370 1.00 0.00 C ATOM 81 O GLY A 7 6.045 -15.058 -5.116 1.00 0.00 O ATOM 0 H GLY A 7 5.081 -11.383 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.883 -12.753 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.391 -12.570 -4.073 1.00 0.00 H new ATOM 85 N SER A 8 5.194 -14.117 -3.245 1.00 0.00 N ATOM 86 CA SER A 8 4.537 -15.333 -2.797 1.00 0.00 C ATOM 87 C SER A 8 3.357 -14.987 -1.889 1.00 0.00 C ATOM 88 O SER A 8 3.198 -15.573 -0.820 1.00 0.00 O ATOM 89 CB SER A 8 5.518 -16.252 -2.066 1.00 0.00 C ATOM 90 OG SER A 8 5.512 -16.027 -0.659 1.00 0.00 O ATOM 0 H SER A 8 5.069 -13.314 -2.629 1.00 0.00 H new ATOM 0 HA SER A 8 4.168 -15.865 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.260 -17.292 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.524 -16.092 -2.455 1.00 0.00 H new ATOM 0 HG SER A 8 4.639 -16.278 -0.291 1.00 0.00 H new ATOM 96 N ASN A 9 2.557 -14.034 -2.348 1.00 0.00 N ATOM 97 CA ASN A 9 1.395 -13.603 -1.589 1.00 0.00 C ATOM 98 C ASN A 9 0.145 -13.728 -2.463 1.00 0.00 C ATOM 99 O ASN A 9 0.187 -14.344 -3.527 1.00 0.00 O ATOM 100 CB ASN A 9 1.529 -12.140 -1.163 1.00 0.00 C ATOM 101 CG ASN A 9 2.867 -11.892 -0.465 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.933 -11.558 0.708 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.926 -12.073 -1.247 1.00 0.00 N ATOM 0 H ASN A 9 2.691 -13.549 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 9 1.318 -14.232 -0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.446 -11.494 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.711 -11.876 -0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.865 -11.932 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.800 -12.353 -2.220 1.00 0.00 H new ATOM 110 N CYS A 10 -0.937 -13.135 -1.982 1.00 0.00 N ATOM 111 CA CYS A 10 -2.196 -13.172 -2.706 1.00 0.00 C ATOM 112 C CYS A 10 -3.183 -12.239 -2.001 1.00 0.00 C ATOM 113 O CYS A 10 -4.085 -12.699 -1.302 1.00 0.00 O ATOM 114 CB CYS A 10 -2.740 -14.598 -2.821 1.00 0.00 C ATOM 115 SG CYS A 10 -4.218 -14.772 -3.885 1.00 0.00 S ATOM 0 H CYS A 10 -0.968 -12.626 -1.099 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.041 -12.829 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.952 -15.242 -3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.984 -14.960 -1.822 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.876 -15.308 -5.019 1.00 0.00 H new ATOM 120 N TYR A 11 -2.980 -10.948 -2.210 1.00 0.00 N ATOM 121 CA TYR A 11 -3.841 -9.947 -1.604 1.00 0.00 C ATOM 122 C TYR A 11 -5.041 -9.639 -2.502 1.00 0.00 C ATOM 123 O TYR A 11 -5.338 -8.476 -2.770 1.00 0.00 O ATOM 124 CB TYR A 11 -2.987 -8.684 -1.464 1.00 0.00 C ATOM 125 CG TYR A 11 -1.569 -8.945 -0.953 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.354 -9.198 0.386 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.505 -8.929 -1.832 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.019 -9.444 0.868 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.830 -9.175 -1.351 1.00 0.00 C ATOM 130 CZ TYR A 11 1.007 -9.421 -0.025 1.00 0.00 C ATOM 131 OH TYR A 11 2.267 -9.653 0.429 1.00 0.00 O ATOM 0 H TYR A 11 -2.231 -10.571 -2.791 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.225 -10.301 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.927 -8.189 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.486 -7.994 -0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.187 -9.212 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.674 -8.732 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.163 -9.642 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.672 -9.164 -2.028 1.00 0.00 H new ATOM 0 HH TYR A 11 2.268 -10.452 0.996 1.00 0.00 H new ATOM 141 N SER A 12 -5.698 -10.702 -2.943 1.00 0.00 N ATOM 142 CA SER A 12 -6.859 -10.561 -3.804 1.00 0.00 C ATOM 143 C SER A 12 -7.559 -9.230 -3.524 1.00 0.00 C ATOM 144 O SER A 12 -7.486 -8.707 -2.413 1.00 0.00 O ATOM 145 CB SER A 12 -7.833 -11.725 -3.611 1.00 0.00 C ATOM 146 OG SER A 12 -8.976 -11.343 -2.851 1.00 0.00 O ATOM 0 H SER A 12 -5.448 -11.665 -2.720 1.00 0.00 H new ATOM 0 HA SER A 12 -6.520 -10.575 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.152 -12.096 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.322 -12.546 -3.109 1.00 0.00 H new ATOM 0 HG SER A 12 -9.574 -12.113 -2.751 1.00 0.00 H new ATOM 152 N SER A 13 -8.224 -8.720 -4.551 1.00 0.00 N ATOM 153 CA SER A 13 -8.937 -7.460 -4.429 1.00 0.00 C ATOM 154 C SER A 13 -9.611 -7.370 -3.058 1.00 0.00 C ATOM 155 O SER A 13 -9.900 -6.277 -2.574 1.00 0.00 O ATOM 156 CB SER A 13 -9.976 -7.305 -5.541 1.00 0.00 C ATOM 157 OG SER A 13 -11.162 -8.049 -5.272 1.00 0.00 O ATOM 0 H SER A 13 -8.284 -9.157 -5.471 1.00 0.00 H new ATOM 0 HA SER A 13 -8.216 -6.649 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.228 -6.251 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.547 -7.636 -6.487 1.00 0.00 H new ATOM 0 HG SER A 13 -11.801 -7.922 -6.004 1.00 0.00 H new ATOM 163 N SER A 14 -9.841 -8.535 -2.470 1.00 0.00 N ATOM 164 CA SER A 14 -10.475 -8.602 -1.164 1.00 0.00 C ATOM 165 C SER A 14 -9.434 -8.375 -0.065 1.00 0.00 C ATOM 166 O SER A 14 -9.772 -7.931 1.031 1.00 0.00 O ATOM 167 CB SER A 14 -11.178 -9.946 -0.962 1.00 0.00 C ATOM 168 OG SER A 14 -11.956 -9.966 0.232 1.00 0.00 O ATOM 0 H SER A 14 -9.600 -9.440 -2.874 1.00 0.00 H new ATOM 0 HA SER A 14 -11.229 -7.817 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.821 -10.151 -1.818 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.435 -10.742 -0.924 1.00 0.00 H new ATOM 0 HG SER A 14 -12.390 -10.840 0.325 1.00 0.00 H new ATOM 174 N ASP A 15 -8.191 -8.691 -0.398 1.00 0.00 N ATOM 175 CA ASP A 15 -7.100 -8.527 0.548 1.00 0.00 C ATOM 176 C ASP A 15 -6.584 -7.088 0.480 1.00 0.00 C ATOM 177 O ASP A 15 -5.950 -6.608 1.418 1.00 0.00 O ATOM 178 CB ASP A 15 -5.937 -9.462 0.213 1.00 0.00 C ATOM 179 CG ASP A 15 -5.884 -10.751 1.036 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.787 -11.591 0.832 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.944 -10.866 1.851 1.00 0.00 O ATOM 0 H ASP A 15 -7.915 -9.059 -1.308 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.478 -8.762 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.995 -9.725 -0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.002 -8.920 0.355 1.00 0.00 H new ATOM 186 N VAL A 16 -6.876 -6.440 -0.638 1.00 0.00 N ATOM 187 CA VAL A 16 -6.450 -5.066 -0.840 1.00 0.00 C ATOM 188 C VAL A 16 -7.327 -4.136 0.002 1.00 0.00 C ATOM 189 O VAL A 16 -6.864 -3.561 0.985 1.00 0.00 O ATOM 190 CB VAL A 16 -6.474 -4.724 -2.330 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.384 -3.212 -2.548 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.356 -5.453 -3.078 1.00 0.00 C ATOM 0 H VAL A 16 -7.403 -6.841 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.421 -4.932 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.427 -5.065 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.403 -2.997 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.230 -2.724 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.455 -2.837 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.396 -5.192 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.391 -5.157 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.484 -6.529 -2.965 1.00 0.00 H new ATOM 202 N SER A 17 -8.579 -4.017 -0.417 1.00 0.00 N ATOM 203 CA SER A 17 -9.525 -3.167 0.286 1.00 0.00 C ATOM 204 C SER A 17 -9.275 -3.238 1.793 1.00 0.00 C ATOM 205 O SER A 17 -9.272 -2.215 2.475 1.00 0.00 O ATOM 206 CB SER A 17 -10.967 -3.567 -0.033 1.00 0.00 C ATOM 207 OG SER A 17 -11.891 -2.527 0.277 1.00 0.00 O ATOM 0 H SER A 17 -8.960 -4.495 -1.234 1.00 0.00 H new ATOM 0 HA SER A 17 -9.378 -2.141 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.048 -3.820 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.228 -4.463 0.530 1.00 0.00 H new ATOM 0 HG SER A 17 -12.800 -2.821 0.058 1.00 0.00 H new ATOM 213 N THR A 18 -9.069 -4.457 2.269 1.00 0.00 N ATOM 214 CA THR A 18 -8.818 -4.677 3.684 1.00 0.00 C ATOM 215 C THR A 18 -7.687 -3.769 4.170 1.00 0.00 C ATOM 216 O THR A 18 -7.854 -3.026 5.136 1.00 0.00 O ATOM 217 CB THR A 18 -8.535 -6.166 3.888 1.00 0.00 C ATOM 218 OG1 THR A 18 -9.816 -6.730 4.151 1.00 0.00 O ATOM 219 CG2 THR A 18 -7.737 -6.440 5.165 1.00 0.00 C ATOM 0 H THR A 18 -9.071 -5.303 1.700 1.00 0.00 H new ATOM 0 HA THR A 18 -9.687 -4.413 4.287 1.00 0.00 H new ATOM 0 HB THR A 18 -7.988 -6.553 3.028 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.725 -7.695 4.294 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.563 -7.512 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.780 -5.920 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.299 -6.084 6.029 1.00 0.00 H new ATOM 227 N ALA A 19 -6.559 -3.861 3.481 1.00 0.00 N ATOM 228 CA ALA A 19 -5.400 -3.058 3.831 1.00 0.00 C ATOM 229 C ALA A 19 -5.759 -1.576 3.716 1.00 0.00 C ATOM 230 O ALA A 19 -5.399 -0.777 4.581 1.00 0.00 O ATOM 231 CB ALA A 19 -4.221 -3.444 2.935 1.00 0.00 C ATOM 0 H ALA A 19 -6.423 -4.480 2.682 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.100 -3.246 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.352 -2.841 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.987 -4.499 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.483 -3.267 1.892 1.00 0.00 H new ATOM 237 N GLN A 20 -6.462 -1.251 2.641 1.00 0.00 N ATOM 238 CA GLN A 20 -6.873 0.122 2.403 1.00 0.00 C ATOM 239 C GLN A 20 -7.724 0.632 3.567 1.00 0.00 C ATOM 240 O GLN A 20 -7.382 1.629 4.200 1.00 0.00 O ATOM 241 CB GLN A 20 -7.628 0.245 1.077 1.00 0.00 C ATOM 242 CG GLN A 20 -7.071 -0.727 0.036 1.00 0.00 C ATOM 243 CD GLN A 20 -7.755 -0.531 -1.318 1.00 0.00 C ATOM 244 OE1 GLN A 20 -8.288 -1.453 -1.913 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.708 0.718 -1.772 1.00 0.00 N ATOM 0 H GLN A 20 -6.757 -1.915 1.925 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.979 0.742 2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.687 0.044 1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.551 1.266 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.997 -0.576 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.217 -1.752 0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.246 1.443 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.134 0.951 -2.669 1.00 0.00 H new ATOM 254 N ALA A 21 -8.816 -0.077 3.815 1.00 0.00 N ATOM 255 CA ALA A 21 -9.718 0.292 4.894 1.00 0.00 C ATOM 256 C ALA A 21 -8.915 0.930 6.029 1.00 0.00 C ATOM 257 O ALA A 21 -9.377 1.877 6.664 1.00 0.00 O ATOM 258 CB ALA A 21 -10.496 -0.943 5.351 1.00 0.00 C ATOM 0 H ALA A 21 -9.096 -0.904 3.288 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.446 1.028 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.173 -0.668 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.072 -1.340 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.798 -1.702 5.704 1.00 0.00 H new ATOM 264 N ALA A 22 -7.728 0.386 6.249 1.00 0.00 N ATOM 265 CA ALA A 22 -6.857 0.891 7.297 1.00 0.00 C ATOM 266 C ALA A 22 -6.143 2.149 6.799 1.00 0.00 C ATOM 267 O ALA A 22 -6.196 3.194 7.445 1.00 0.00 O ATOM 268 CB ALA A 22 -5.878 -0.207 7.721 1.00 0.00 C ATOM 0 H ALA A 22 -7.348 -0.399 5.720 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.437 1.168 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.225 0.172 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.435 -1.066 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.277 -0.509 6.864 1.00 0.00 H new ATOM 274 N GLY A 23 -5.491 2.006 5.655 1.00 0.00 N ATOM 275 CA GLY A 23 -4.767 3.118 5.063 1.00 0.00 C ATOM 276 C GLY A 23 -5.695 4.310 4.818 1.00 0.00 C ATOM 277 O GLY A 23 -5.336 5.450 5.105 1.00 0.00 O ATOM 0 H GLY A 23 -5.449 1.137 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.951 3.417 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.317 2.803 4.121 1.00 0.00 H new ATOM 281 N TYR A 24 -6.872 4.003 4.291 1.00 0.00 N ATOM 282 CA TYR A 24 -7.854 5.034 4.005 1.00 0.00 C ATOM 283 C TYR A 24 -8.409 5.638 5.297 1.00 0.00 C ATOM 284 O TYR A 24 -8.190 6.814 5.580 1.00 0.00 O ATOM 285 CB TYR A 24 -8.991 4.337 3.255 1.00 0.00 C ATOM 286 CG TYR A 24 -9.698 5.226 2.229 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.057 5.566 1.054 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.974 5.688 2.479 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.722 6.403 0.089 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.638 6.525 1.513 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.980 6.841 0.367 1.00 0.00 C ATOM 292 OH TYR A 24 -11.608 7.632 -0.545 1.00 0.00 O ATOM 0 H TYR A 24 -7.167 3.055 4.055 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.404 5.842 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.592 3.459 2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.725 3.981 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.058 5.205 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.474 5.422 3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.233 6.677 -0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.637 6.893 1.696 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.362 8.568 -0.390 1.00 0.00 H new ATOM 302 N LYS A 25 -9.116 4.804 6.047 1.00 0.00 N ATOM 303 CA LYS A 25 -9.702 5.241 7.302 1.00 0.00 C ATOM 304 C LYS A 25 -8.667 6.044 8.092 1.00 0.00 C ATOM 305 O LYS A 25 -8.931 7.175 8.497 1.00 0.00 O ATOM 306 CB LYS A 25 -10.270 4.046 8.072 1.00 0.00 C ATOM 307 CG LYS A 25 -11.005 4.507 9.332 1.00 0.00 C ATOM 308 CD LYS A 25 -12.290 5.258 8.975 1.00 0.00 C ATOM 309 CE LYS A 25 -13.144 5.508 10.220 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.649 4.229 10.767 1.00 0.00 N ATOM 0 H LYS A 25 -9.296 3.829 5.809 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.547 5.904 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.953 3.487 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.462 3.367 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.245 3.644 9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.354 5.153 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.041 6.209 8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.862 4.682 8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.553 6.026 10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.981 6.159 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.462 4.414 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.945 3.610 9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.896 3.763 11.312 1.00 0.00 H new ATOM 324 N LEU A 26 -7.509 5.429 8.286 1.00 0.00 N ATOM 325 CA LEU A 26 -6.433 6.073 9.020 1.00 0.00 C ATOM 326 C LEU A 26 -6.010 7.346 8.284 1.00 0.00 C ATOM 327 O LEU A 26 -5.621 8.330 8.910 1.00 0.00 O ATOM 328 CB LEU A 26 -5.285 5.091 9.259 1.00 0.00 C ATOM 329 CG LEU A 26 -4.017 5.679 9.881 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.293 6.209 11.290 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.875 4.662 9.865 1.00 0.00 C ATOM 0 H LEU A 26 -7.293 4.491 7.947 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.775 6.375 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.646 4.292 9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.020 4.634 8.306 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.701 6.527 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.376 6.622 11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.053 6.989 11.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.647 5.395 11.922 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.986 5.106 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.166 3.779 10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.658 4.375 8.836 1.00 0.00 H new ATOM 343 N HIS A 27 -6.100 7.285 6.963 1.00 0.00 N ATOM 344 CA HIS A 27 -5.731 8.420 6.134 1.00 0.00 C ATOM 345 C HIS A 27 -6.727 9.561 6.355 1.00 0.00 C ATOM 346 O HIS A 27 -6.328 10.700 6.595 1.00 0.00 O ATOM 347 CB HIS A 27 -5.619 8.008 4.665 1.00 0.00 C ATOM 348 CG HIS A 27 -5.436 9.167 3.715 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.358 10.031 3.786 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.203 9.592 2.671 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.481 10.934 2.824 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.625 10.661 2.134 1.00 0.00 N ATOM 0 H HIS A 27 -6.423 6.467 6.446 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.745 8.782 6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.778 7.324 4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.517 7.458 4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.124 9.137 2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.796 11.744 2.622 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.979 11.190 1.337 1.00 0.00 H new ATOM 361 N GLU A 28 -8.003 9.216 6.268 1.00 0.00 N ATOM 362 CA GLU A 28 -9.059 10.197 6.455 1.00 0.00 C ATOM 363 C GLU A 28 -8.973 10.809 7.854 1.00 0.00 C ATOM 364 O GLU A 28 -9.454 11.917 8.083 1.00 0.00 O ATOM 365 CB GLU A 28 -10.435 9.574 6.213 1.00 0.00 C ATOM 366 CG GLU A 28 -10.311 8.091 5.856 1.00 0.00 C ATOM 367 CD GLU A 28 -11.690 7.442 5.725 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.678 8.140 6.040 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.725 6.262 5.312 1.00 0.00 O ATOM 0 H GLU A 28 -8.330 8.270 6.070 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.923 10.993 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.051 9.687 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.942 10.105 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.764 7.983 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.734 7.575 6.624 1.00 0.00 H new ATOM 376 N ASP A 29 -8.354 10.060 8.756 1.00 0.00 N ATOM 377 CA ASP A 29 -8.198 10.515 10.127 1.00 0.00 C ATOM 378 C ASP A 29 -6.957 11.404 10.227 1.00 0.00 C ATOM 379 O ASP A 29 -6.842 12.214 11.146 1.00 0.00 O ATOM 380 CB ASP A 29 -8.011 9.334 11.081 1.00 0.00 C ATOM 381 CG ASP A 29 -9.208 8.385 11.179 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.015 8.390 10.225 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.288 7.677 12.206 1.00 0.00 O ATOM 0 H ASP A 29 -7.955 9.141 8.564 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.098 11.064 10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.139 8.763 10.762 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.791 9.721 12.076 1.00 0.00 H new ATOM 388 N GLY A 30 -6.060 11.224 9.268 1.00 0.00 N ATOM 389 CA GLY A 30 -4.832 11.999 9.237 1.00 0.00 C ATOM 390 C GLY A 30 -3.839 11.498 10.288 1.00 0.00 C ATOM 391 O GLY A 30 -2.936 12.229 10.692 1.00 0.00 O ATOM 0 H GLY A 30 -6.160 10.552 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.382 11.934 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.057 13.050 9.416 1.00 0.00 H new ATOM 395 N GLU A 31 -4.041 10.255 10.700 1.00 0.00 N ATOM 396 CA GLU A 31 -3.174 9.648 11.696 1.00 0.00 C ATOM 397 C GLU A 31 -2.113 8.780 11.017 1.00 0.00 C ATOM 398 O GLU A 31 -2.137 8.601 9.800 1.00 0.00 O ATOM 399 CB GLU A 31 -3.987 8.833 12.705 1.00 0.00 C ATOM 400 CG GLU A 31 -4.579 9.736 13.789 1.00 0.00 C ATOM 401 CD GLU A 31 -3.495 10.217 14.755 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.526 9.451 14.948 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.659 11.340 15.279 1.00 0.00 O ATOM 0 H GLU A 31 -4.791 9.652 10.363 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.668 10.443 12.244 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.789 8.304 12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.350 8.077 13.164 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.065 10.595 13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.347 9.193 14.340 1.00 0.00 H new ATOM 410 N THR A 32 -1.207 8.262 11.835 1.00 0.00 N ATOM 411 CA THR A 32 -0.140 7.417 11.328 1.00 0.00 C ATOM 412 C THR A 32 -0.065 6.115 12.128 1.00 0.00 C ATOM 413 O THR A 32 -0.823 5.922 13.077 1.00 0.00 O ATOM 414 CB THR A 32 1.159 8.225 11.361 1.00 0.00 C ATOM 415 OG1 THR A 32 1.423 8.402 12.751 1.00 0.00 O ATOM 416 CG2 THR A 32 0.976 9.650 10.833 1.00 0.00 C ATOM 0 H THR A 32 -1.191 8.411 12.844 1.00 0.00 H new ATOM 0 HA THR A 32 -0.328 7.118 10.297 1.00 0.00 H new ATOM 0 HB THR A 32 1.919 7.714 10.771 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.250 8.915 12.864 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.928 10.180 10.878 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.630 9.614 9.800 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.240 10.173 11.444 1.00 0.00 H new ATOM 424 N VAL A 33 0.855 5.255 11.715 1.00 0.00 N ATOM 425 CA VAL A 33 1.037 3.978 12.381 1.00 0.00 C ATOM 426 C VAL A 33 2.534 3.710 12.560 1.00 0.00 C ATOM 427 O VAL A 33 3.300 3.785 11.601 1.00 0.00 O ATOM 428 CB VAL A 33 0.322 2.873 11.600 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.104 3.293 11.239 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.113 2.485 10.350 1.00 0.00 C ATOM 0 H VAL A 33 1.482 5.418 10.927 1.00 0.00 H new ATOM 0 HA VAL A 33 0.588 3.998 13.374 1.00 0.00 H new ATOM 0 HB VAL A 33 0.260 1.994 12.242 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.590 2.490 10.685 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.665 3.496 12.151 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.074 4.192 10.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.583 1.698 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.221 3.356 9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.100 2.124 10.641 1.00 0.00 H new ATOM 440 N GLY A 34 2.903 3.403 13.795 1.00 0.00 N ATOM 441 CA GLY A 34 4.294 3.125 14.112 1.00 0.00 C ATOM 442 C GLY A 34 5.098 4.420 14.238 1.00 0.00 C ATOM 443 O GLY A 34 4.547 5.466 14.580 1.00 0.00 O ATOM 0 H GLY A 34 2.264 3.341 14.587 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.353 2.564 15.045 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.729 2.497 13.335 1.00 0.00 H new ATOM 447 N SER A 35 6.388 4.308 13.957 1.00 0.00 N ATOM 448 CA SER A 35 7.273 5.457 14.034 1.00 0.00 C ATOM 449 C SER A 35 7.444 6.081 12.648 1.00 0.00 C ATOM 450 O SER A 35 8.388 6.834 12.414 1.00 0.00 O ATOM 451 CB SER A 35 8.635 5.066 14.611 1.00 0.00 C ATOM 452 OG SER A 35 8.600 4.948 16.031 1.00 0.00 O ATOM 0 H SER A 35 6.841 3.439 13.676 1.00 0.00 H new ATOM 0 HA SER A 35 6.822 6.191 14.702 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.954 4.119 14.176 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.377 5.813 14.328 1.00 0.00 H new ATOM 0 HG SER A 35 9.488 4.695 16.360 1.00 0.00 H new ATOM 458 N ASN A 36 6.516 5.743 11.764 1.00 0.00 N ATOM 459 CA ASN A 36 6.553 6.260 10.407 1.00 0.00 C ATOM 460 C ASN A 36 5.431 7.286 10.226 1.00 0.00 C ATOM 461 O ASN A 36 4.823 7.725 11.202 1.00 0.00 O ATOM 462 CB ASN A 36 6.339 5.142 9.385 1.00 0.00 C ATOM 463 CG ASN A 36 7.663 4.728 8.740 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.740 5.078 9.194 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.524 3.964 7.660 1.00 0.00 N ATOM 0 H ASN A 36 5.735 5.118 11.961 1.00 0.00 H new ATOM 0 HA ASN A 36 7.531 6.714 10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.883 4.281 9.873 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.644 5.477 8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.349 3.635 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.592 3.708 7.333 1.00 0.00 H new ATOM 472 N SER A 37 5.192 7.639 8.972 1.00 0.00 N ATOM 473 CA SER A 37 4.155 8.604 8.651 1.00 0.00 C ATOM 474 C SER A 37 3.148 7.988 7.679 1.00 0.00 C ATOM 475 O SER A 37 2.661 8.662 6.772 1.00 0.00 O ATOM 476 CB SER A 37 4.755 9.880 8.056 1.00 0.00 C ATOM 477 OG SER A 37 4.901 9.791 6.640 1.00 0.00 O ATOM 0 H SER A 37 5.699 7.274 8.166 1.00 0.00 H new ATOM 0 HA SER A 37 3.641 8.872 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.118 10.729 8.302 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.728 10.069 8.510 1.00 0.00 H new ATOM 0 HG SER A 37 4.019 9.682 6.226 1.00 0.00 H new ATOM 483 N TYR A 38 2.864 6.713 7.901 1.00 0.00 N ATOM 484 CA TYR A 38 1.923 5.997 7.056 1.00 0.00 C ATOM 485 C TYR A 38 0.518 6.017 7.660 1.00 0.00 C ATOM 486 O TYR A 38 0.362 5.964 8.879 1.00 0.00 O ATOM 487 CB TYR A 38 2.422 4.551 7.000 1.00 0.00 C ATOM 488 CG TYR A 38 3.740 4.377 6.245 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.755 5.299 6.404 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.916 3.296 5.404 1.00 0.00 C ATOM 491 CE1 TYR A 38 5.996 5.134 5.692 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.157 3.131 4.692 1.00 0.00 C ATOM 493 CZ TYR A 38 6.136 4.058 4.872 1.00 0.00 C ATOM 494 OH TYR A 38 7.308 3.902 4.200 1.00 0.00 O ATOM 0 H TYR A 38 3.269 6.157 8.654 1.00 0.00 H new ATOM 0 HA TYR A 38 1.865 6.458 6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.546 4.181 8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.660 3.932 6.527 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.618 6.144 7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.123 2.574 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.798 5.849 5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.307 2.291 4.030 1.00 0.00 H new ATOM 0 HH TYR A 38 7.266 3.090 3.653 1.00 0.00 H new ATOM 504 N PRO A 39 -0.496 6.094 6.757 1.00 0.00 N ATOM 505 CA PRO A 39 -0.223 6.152 5.331 1.00 0.00 C ATOM 506 C PRO A 39 0.289 7.536 4.926 1.00 0.00 C ATOM 507 O PRO A 39 0.519 8.391 5.780 1.00 0.00 O ATOM 508 CB PRO A 39 -1.541 5.789 4.664 1.00 0.00 C ATOM 509 CG PRO A 39 -2.613 5.995 5.720 1.00 0.00 C ATOM 510 CD PRO A 39 -1.921 6.129 7.067 1.00 0.00 C ATOM 0 HA PRO A 39 0.567 5.465 5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.724 6.419 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.530 4.757 4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.198 6.888 5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.306 5.154 5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.196 7.060 7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.200 5.317 7.738 1.00 0.00 H new ATOM 518 N HIS A 40 0.454 7.713 3.623 1.00 0.00 N ATOM 519 CA HIS A 40 0.936 8.979 3.095 1.00 0.00 C ATOM 520 C HIS A 40 1.167 8.851 1.588 1.00 0.00 C ATOM 521 O HIS A 40 1.214 7.744 1.056 1.00 0.00 O ATOM 522 CB HIS A 40 2.183 9.443 3.850 1.00 0.00 C ATOM 523 CG HIS A 40 3.415 8.618 3.565 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.245 8.859 2.483 1.00 0.00 N ATOM 525 CD2 HIS A 40 3.950 7.555 4.230 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.230 7.974 2.507 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.045 7.166 3.589 1.00 0.00 N ATOM 0 H HIS A 40 0.263 7.002 2.918 1.00 0.00 H new ATOM 0 HA HIS A 40 0.183 9.752 3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.386 10.482 3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.979 9.415 4.920 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.550 7.105 5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.038 7.905 1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.649 6.390 3.861 1.00 0.00 H new ATOM 536 N LYS A 41 1.305 10.001 0.944 1.00 0.00 N ATOM 537 CA LYS A 41 1.530 10.032 -0.492 1.00 0.00 C ATOM 538 C LYS A 41 2.589 8.991 -0.859 1.00 0.00 C ATOM 539 O LYS A 41 3.290 8.478 0.012 1.00 0.00 O ATOM 540 CB LYS A 41 1.876 11.450 -0.949 1.00 0.00 C ATOM 541 CG LYS A 41 1.186 11.783 -2.272 1.00 0.00 C ATOM 542 CD LYS A 41 -0.189 12.409 -2.031 1.00 0.00 C ATOM 543 CE LYS A 41 -0.055 13.842 -1.511 1.00 0.00 C ATOM 544 NZ LYS A 41 0.453 14.735 -2.575 1.00 0.00 N ATOM 0 H LYS A 41 1.265 10.918 1.390 1.00 0.00 H new ATOM 0 HA LYS A 41 0.619 9.763 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.572 12.166 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.956 11.546 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.807 12.470 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.078 10.877 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.761 12.407 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.745 11.808 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.023 14.199 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.622 13.863 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.255 15.724 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.479 14.603 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.018 14.507 -3.474 1.00 0.00 H new ATOM 558 N TYR A 42 2.673 8.710 -2.151 1.00 0.00 N ATOM 559 CA TYR A 42 3.635 7.739 -2.645 1.00 0.00 C ATOM 560 C TYR A 42 4.080 8.084 -4.068 1.00 0.00 C ATOM 561 O TYR A 42 4.715 7.271 -4.738 1.00 0.00 O ATOM 562 CB TYR A 42 2.906 6.395 -2.664 1.00 0.00 C ATOM 563 CG TYR A 42 3.638 5.300 -3.442 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.449 5.177 -4.804 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.488 4.435 -2.783 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.138 4.147 -5.537 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.177 3.405 -3.516 1.00 0.00 C ATOM 568 CZ TYR A 42 4.968 3.312 -4.856 1.00 0.00 C ATOM 569 OH TYR A 42 5.620 2.339 -5.549 1.00 0.00 O ATOM 0 H TYR A 42 2.091 9.138 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 42 4.523 7.724 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.758 6.060 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.917 6.536 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.784 5.854 -5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.636 4.531 -1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.999 4.040 -6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.845 2.722 -3.013 1.00 0.00 H new ATOM 0 HH TYR A 42 5.888 2.685 -6.426 1.00 0.00 H new ATOM 579 N ASN A 43 3.728 9.290 -4.488 1.00 0.00 N ATOM 580 CA ASN A 43 4.083 9.752 -5.819 1.00 0.00 C ATOM 581 C ASN A 43 5.003 8.725 -6.482 1.00 0.00 C ATOM 582 O ASN A 43 6.225 8.858 -6.432 1.00 0.00 O ATOM 583 CB ASN A 43 4.830 11.086 -5.759 1.00 0.00 C ATOM 584 CG ASN A 43 3.884 12.257 -6.032 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.005 12.972 -7.013 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.936 12.414 -5.111 1.00 0.00 N ATOM 0 H ASN A 43 3.201 9.961 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 43 3.162 9.880 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.289 11.206 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.638 11.088 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.255 13.168 -5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.890 11.780 -4.313 1.00 0.00 H new ATOM 593 N ASN A 44 4.381 7.724 -7.088 1.00 0.00 N ATOM 594 CA ASN A 44 5.129 6.676 -7.760 1.00 0.00 C ATOM 595 C ASN A 44 6.061 7.305 -8.797 1.00 0.00 C ATOM 596 O ASN A 44 5.987 8.505 -9.058 1.00 0.00 O ATOM 597 CB ASN A 44 4.191 5.711 -8.490 1.00 0.00 C ATOM 598 CG ASN A 44 3.686 6.322 -9.798 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.631 6.931 -9.863 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.497 6.126 -10.834 1.00 0.00 N ATOM 0 H ASN A 44 3.367 7.617 -7.127 1.00 0.00 H new ATOM 0 HA ASN A 44 5.694 6.128 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.714 4.778 -8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.345 5.466 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.250 6.495 -11.752 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.366 5.607 -10.710 1.00 0.00 H new ATOM 607 N TYR A 45 6.916 6.466 -9.363 1.00 0.00 N ATOM 608 CA TYR A 45 7.862 6.924 -10.366 1.00 0.00 C ATOM 609 C TYR A 45 8.703 5.763 -10.900 1.00 0.00 C ATOM 610 O TYR A 45 8.954 5.673 -12.100 1.00 0.00 O ATOM 611 CB TYR A 45 8.781 7.920 -9.656 1.00 0.00 C ATOM 612 CG TYR A 45 8.384 9.384 -9.853 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.281 9.703 -10.620 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.127 10.386 -9.262 1.00 0.00 C ATOM 615 CE1 TYR A 45 6.907 11.081 -10.805 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.752 11.764 -9.447 1.00 0.00 C ATOM 617 CZ TYR A 45 7.661 12.043 -10.209 1.00 0.00 C ATOM 618 OH TYR A 45 7.308 13.345 -10.384 1.00 0.00 O ATOM 0 H TYR A 45 6.973 5.471 -9.146 1.00 0.00 H new ATOM 0 HA TYR A 45 7.338 7.368 -11.212 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.787 7.696 -8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.800 7.779 -10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.699 8.919 -11.081 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.989 10.137 -8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.047 11.345 -11.403 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.324 12.558 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 45 7.935 13.922 -9.900 1.00 0.00 H new ATOM 628 N GLU A 46 9.114 4.901 -9.981 1.00 0.00 N ATOM 629 CA GLU A 46 9.921 3.749 -10.343 1.00 0.00 C ATOM 630 C GLU A 46 9.372 3.094 -11.613 1.00 0.00 C ATOM 631 O GLU A 46 10.086 2.362 -12.296 1.00 0.00 O ATOM 632 CB GLU A 46 9.988 2.743 -9.193 1.00 0.00 C ATOM 633 CG GLU A 46 10.649 3.363 -7.960 1.00 0.00 C ATOM 634 CD GLU A 46 11.266 4.722 -8.294 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.417 4.719 -8.784 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.575 5.735 -8.053 1.00 0.00 O ATOM 0 H GLU A 46 8.903 4.978 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 46 10.937 4.090 -10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.982 2.406 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.549 1.863 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.910 3.480 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.420 2.693 -7.581 1.00 0.00 H new ATOM 643 N GLY A 47 8.109 3.382 -11.889 1.00 0.00 N ATOM 644 CA GLY A 47 7.456 2.831 -13.064 1.00 0.00 C ATOM 645 C GLY A 47 6.341 1.860 -12.667 1.00 0.00 C ATOM 646 O GLY A 47 6.358 0.695 -13.062 1.00 0.00 O ATOM 0 H GLY A 47 7.520 3.990 -11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.042 3.639 -13.667 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.189 2.315 -13.684 1.00 0.00 H new ATOM 650 N PHE A 48 5.399 2.376 -11.892 1.00 0.00 N ATOM 651 CA PHE A 48 4.279 1.570 -11.437 1.00 0.00 C ATOM 652 C PHE A 48 3.016 1.886 -12.241 1.00 0.00 C ATOM 653 O PHE A 48 2.656 3.050 -12.407 1.00 0.00 O ATOM 654 CB PHE A 48 4.038 1.927 -9.970 1.00 0.00 C ATOM 655 CG PHE A 48 5.103 1.384 -9.014 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.040 0.094 -8.587 1.00 0.00 C ATOM 657 CD2 PHE A 48 6.112 2.192 -8.593 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.029 -0.409 -7.701 1.00 0.00 C ATOM 659 CE2 PHE A 48 7.101 1.689 -7.706 1.00 0.00 C ATOM 660 CZ PHE A 48 7.038 0.398 -7.279 1.00 0.00 C ATOM 0 H PHE A 48 5.388 3.343 -11.567 1.00 0.00 H new ATOM 0 HA PHE A 48 4.505 0.511 -11.566 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.996 3.012 -9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.064 1.542 -9.668 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.238 -0.547 -8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.162 3.216 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.979 -1.433 -7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.902 2.331 -7.371 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.790 0.015 -6.605 1.00 0.00 H new ATOM 670 N ASP A 49 2.378 0.827 -12.718 1.00 0.00 N ATOM 671 CA ASP A 49 1.162 0.976 -13.500 1.00 0.00 C ATOM 672 C ASP A 49 -0.052 0.755 -12.595 1.00 0.00 C ATOM 673 O ASP A 49 -0.853 -0.147 -12.834 1.00 0.00 O ATOM 674 CB ASP A 49 1.103 -0.056 -14.630 1.00 0.00 C ATOM 675 CG ASP A 49 2.463 -0.493 -15.176 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.053 0.304 -15.936 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.882 -1.616 -14.821 1.00 0.00 O ATOM 0 H ASP A 49 2.680 -0.137 -12.578 1.00 0.00 H new ATOM 0 HA ASP A 49 1.157 1.979 -13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.572 -0.937 -14.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.515 0.357 -15.449 1.00 0.00 H new ATOM 682 N PHE A 50 -0.149 1.594 -11.574 1.00 0.00 N ATOM 683 CA PHE A 50 -1.252 1.502 -10.632 1.00 0.00 C ATOM 684 C PHE A 50 -2.597 1.632 -11.348 1.00 0.00 C ATOM 685 O PHE A 50 -2.905 2.681 -11.913 1.00 0.00 O ATOM 686 CB PHE A 50 -1.096 2.662 -9.647 1.00 0.00 C ATOM 687 CG PHE A 50 0.128 2.547 -8.738 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.724 1.339 -8.548 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.622 3.653 -8.118 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.861 1.232 -7.705 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.759 3.547 -7.274 1.00 0.00 C ATOM 692 CZ PHE A 50 2.355 2.338 -7.085 1.00 0.00 C ATOM 0 H PHE A 50 0.518 2.341 -11.378 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.232 0.536 -10.128 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.033 3.595 -10.207 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.991 2.722 -9.028 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.332 0.461 -9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.149 4.612 -8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.334 0.273 -7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.151 4.425 -6.782 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.220 2.257 -6.443 1.00 0.00 H new ATOM 702 N SER A 51 -3.364 0.553 -11.301 1.00 0.00 N ATOM 703 CA SER A 51 -4.669 0.533 -11.938 1.00 0.00 C ATOM 704 C SER A 51 -5.574 1.596 -11.311 1.00 0.00 C ATOM 705 O SER A 51 -6.734 1.733 -11.693 1.00 0.00 O ATOM 706 CB SER A 51 -5.317 -0.848 -11.824 1.00 0.00 C ATOM 707 OG SER A 51 -5.581 -1.204 -10.470 1.00 0.00 O ATOM 0 H SER A 51 -3.106 -0.315 -10.831 1.00 0.00 H new ATOM 0 HA SER A 51 -4.535 0.756 -12.997 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.249 -0.859 -12.390 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.662 -1.594 -12.274 1.00 0.00 H new ATOM 0 HG SER A 51 -5.996 -2.091 -10.440 1.00 0.00 H new ATOM 713 N VAL A 52 -5.007 2.323 -10.358 1.00 0.00 N ATOM 714 CA VAL A 52 -5.747 3.370 -9.675 1.00 0.00 C ATOM 715 C VAL A 52 -5.127 4.728 -10.009 1.00 0.00 C ATOM 716 O VAL A 52 -3.926 4.823 -10.254 1.00 0.00 O ATOM 717 CB VAL A 52 -5.789 3.086 -8.172 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.325 1.679 -7.895 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.410 3.280 -7.538 1.00 0.00 C ATOM 0 H VAL A 52 -4.044 2.207 -10.043 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.782 3.392 -10.018 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.472 3.802 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.345 1.502 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.334 1.589 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.678 0.943 -8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.468 3.072 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.697 2.599 -8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.081 4.308 -7.690 1.00 0.00 H new ATOM 729 N SER A 53 -5.976 5.746 -10.009 1.00 0.00 N ATOM 730 CA SER A 53 -5.526 7.095 -10.309 1.00 0.00 C ATOM 731 C SER A 53 -5.060 7.788 -9.027 1.00 0.00 C ATOM 732 O SER A 53 -5.293 7.289 -7.927 1.00 0.00 O ATOM 733 CB SER A 53 -6.635 7.908 -10.980 1.00 0.00 C ATOM 734 OG SER A 53 -6.134 9.101 -11.577 1.00 0.00 O ATOM 0 H SER A 53 -6.972 5.664 -9.806 1.00 0.00 H new ATOM 0 HA SER A 53 -4.689 7.031 -11.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.122 7.298 -11.741 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.395 8.163 -10.242 1.00 0.00 H new ATOM 0 HG SER A 53 -6.871 9.592 -11.996 1.00 0.00 H new ATOM 740 N SER A 54 -4.412 8.929 -9.211 1.00 0.00 N ATOM 741 CA SER A 54 -3.912 9.697 -8.084 1.00 0.00 C ATOM 742 C SER A 54 -5.076 10.357 -7.343 1.00 0.00 C ATOM 743 O SER A 54 -6.179 10.460 -7.878 1.00 0.00 O ATOM 744 CB SER A 54 -2.905 10.754 -8.541 1.00 0.00 C ATOM 745 OG SER A 54 -3.470 11.654 -9.489 1.00 0.00 O ATOM 0 H SER A 54 -4.222 9.340 -10.125 1.00 0.00 H new ATOM 0 HA SER A 54 -3.399 9.015 -7.406 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.550 11.314 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.037 10.262 -8.980 1.00 0.00 H new ATOM 0 HG SER A 54 -2.797 12.314 -9.755 1.00 0.00 H new ATOM 751 N PRO A 55 -4.784 10.800 -6.091 1.00 0.00 N ATOM 752 CA PRO A 55 -3.452 10.638 -5.532 1.00 0.00 C ATOM 753 C PRO A 55 -3.204 9.187 -5.115 1.00 0.00 C ATOM 754 O PRO A 55 -4.117 8.363 -5.149 1.00 0.00 O ATOM 755 CB PRO A 55 -3.396 11.610 -4.364 1.00 0.00 C ATOM 756 CG PRO A 55 -4.840 11.939 -4.025 1.00 0.00 C ATOM 757 CD PRO A 55 -5.709 11.462 -5.177 1.00 0.00 C ATOM 0 HA PRO A 55 -2.664 10.855 -6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.886 11.165 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.843 12.510 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.135 11.450 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.962 13.012 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.483 10.776 -4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.216 12.296 -5.662 1.00 0.00 H new ATOM 765 N TYR A 56 -1.966 8.919 -4.730 1.00 0.00 N ATOM 766 CA TYR A 56 -1.586 7.582 -4.307 1.00 0.00 C ATOM 767 C TYR A 56 -1.112 7.581 -2.851 1.00 0.00 C ATOM 768 O TYR A 56 -0.201 8.325 -2.492 1.00 0.00 O ATOM 769 CB TYR A 56 -0.423 7.168 -5.209 1.00 0.00 C ATOM 770 CG TYR A 56 -0.825 6.911 -6.663 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.130 6.584 -6.971 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.118 7.006 -7.667 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.509 6.342 -8.339 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.261 6.764 -9.035 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.555 6.444 -9.304 1.00 0.00 C ATOM 776 OH TYR A 56 -1.913 6.215 -10.596 1.00 0.00 O ATOM 0 H TYR A 56 -1.212 9.605 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.434 6.901 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.338 7.948 -5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.034 6.265 -4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.867 6.510 -6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.139 7.262 -7.426 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.527 6.085 -8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.467 6.835 -9.830 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.361 5.346 -10.662 1.00 0.00 H new ATOM 786 N TYR A 57 -1.751 6.738 -2.055 1.00 0.00 N ATOM 787 CA TYR A 57 -1.407 6.631 -0.647 1.00 0.00 C ATOM 788 C TYR A 57 -0.759 5.278 -0.344 1.00 0.00 C ATOM 789 O TYR A 57 -1.396 4.235 -0.486 1.00 0.00 O ATOM 790 CB TYR A 57 -2.726 6.736 0.120 1.00 0.00 C ATOM 791 CG TYR A 57 -3.474 8.051 -0.105 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.833 9.115 -0.707 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.788 8.175 0.294 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.536 10.354 -0.919 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.492 9.414 0.083 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.831 10.442 -0.514 1.00 0.00 C ATOM 797 OH TYR A 57 -5.496 11.611 -0.713 1.00 0.00 O ATOM 0 H TYR A 57 -2.506 6.122 -2.358 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.698 7.409 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.372 5.908 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.525 6.622 1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.804 9.018 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.290 7.343 0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.046 11.194 -1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.521 9.524 0.392 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.854 12.322 -0.919 1.00 0.00 H new ATOM 807 N GLU A 58 0.498 5.339 0.070 1.00 0.00 N ATOM 808 CA GLU A 58 1.238 4.131 0.396 1.00 0.00 C ATOM 809 C GLU A 58 0.846 3.628 1.788 1.00 0.00 C ATOM 810 O GLU A 58 0.665 4.422 2.709 1.00 0.00 O ATOM 811 CB GLU A 58 2.745 4.371 0.304 1.00 0.00 C ATOM 812 CG GLU A 58 3.169 5.550 1.184 1.00 0.00 C ATOM 813 CD GLU A 58 4.668 5.497 1.486 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.432 6.056 0.670 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.016 4.899 2.527 1.00 0.00 O ATOM 0 H GLU A 58 1.023 6.206 0.187 1.00 0.00 H new ATOM 0 HA GLU A 58 0.981 3.362 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.279 3.472 0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.023 4.567 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.928 6.488 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.606 5.533 2.117 1.00 0.00 H new ATOM 822 N TRP A 59 0.730 2.313 1.895 1.00 0.00 N ATOM 823 CA TRP A 59 0.363 1.694 3.158 1.00 0.00 C ATOM 824 C TRP A 59 0.758 0.218 3.093 1.00 0.00 C ATOM 825 O TRP A 59 0.703 -0.397 2.029 1.00 0.00 O ATOM 826 CB TRP A 59 -1.122 1.904 3.461 1.00 0.00 C ATOM 827 CG TRP A 59 -1.640 1.072 4.634 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.314 -0.086 4.591 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.501 1.382 6.036 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.616 -0.544 5.857 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.107 0.378 6.764 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.881 2.474 6.669 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.153 0.366 8.163 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.937 2.448 8.068 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.544 1.445 8.816 1.00 0.00 C ATOM 0 H TRP A 59 0.884 1.658 1.128 1.00 0.00 H new ATOM 0 HA TRP A 59 0.897 2.161 3.986 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.293 2.959 3.673 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.702 1.660 2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.587 -0.597 3.679 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.120 -1.401 6.085 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.400 3.270 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.632 -0.433 8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.476 3.265 8.604 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.546 1.498 9.895 1.00 0.00 H new ATOM 846 N PRO A 60 1.158 -0.323 4.275 1.00 0.00 N ATOM 847 CA PRO A 60 1.562 -1.715 4.362 1.00 0.00 C ATOM 848 C PRO A 60 0.346 -2.643 4.311 1.00 0.00 C ATOM 849 O PRO A 60 -0.710 -2.319 4.849 1.00 0.00 O ATOM 850 CB PRO A 60 2.334 -1.820 5.668 1.00 0.00 C ATOM 851 CG PRO A 60 1.938 -0.601 6.485 1.00 0.00 C ATOM 852 CD PRO A 60 1.236 0.376 5.555 1.00 0.00 C ATOM 0 HA PRO A 60 2.182 -2.026 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.086 -2.741 6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.409 -1.836 5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.279 -0.888 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.818 -0.138 6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.244 0.634 5.927 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.795 1.308 5.464 1.00 0.00 H new ATOM 860 N ILE A 61 0.536 -3.779 3.656 1.00 0.00 N ATOM 861 CA ILE A 61 -0.532 -4.756 3.527 1.00 0.00 C ATOM 862 C ILE A 61 -0.192 -5.990 4.365 1.00 0.00 C ATOM 863 O ILE A 61 0.849 -6.614 4.166 1.00 0.00 O ATOM 864 CB ILE A 61 -0.796 -5.068 2.052 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.148 -5.761 1.873 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.351 -5.884 1.450 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.658 -5.606 0.438 1.00 0.00 C ATOM 0 H ILE A 61 1.413 -4.045 3.209 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.467 -4.353 3.917 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.842 -4.126 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.053 -6.819 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.873 -5.337 2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.138 -6.092 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.279 -5.318 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.453 -6.824 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.620 -6.108 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.775 -4.547 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.943 -6.052 -0.253 1.00 0.00 H new ATOM 879 N LEU A 62 -1.092 -6.306 5.286 1.00 0.00 N ATOM 880 CA LEU A 62 -0.901 -7.453 6.156 1.00 0.00 C ATOM 881 C LEU A 62 -1.482 -8.699 5.484 1.00 0.00 C ATOM 882 O LEU A 62 -2.671 -8.743 5.173 1.00 0.00 O ATOM 883 CB LEU A 62 -1.482 -7.176 7.545 1.00 0.00 C ATOM 884 CG LEU A 62 -0.666 -6.240 8.438 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.536 -5.644 9.547 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.567 -6.951 8.997 1.00 0.00 C ATOM 0 H LEU A 62 -1.955 -5.787 5.448 1.00 0.00 H new ATOM 0 HA LEU A 62 0.161 -7.640 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.479 -6.752 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.602 -8.127 8.063 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.309 -5.411 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.932 -4.982 10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.354 -5.078 9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.942 -6.447 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.129 -6.263 9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.254 -7.812 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.198 -7.286 8.174 1.00 0.00 H new ATOM 898 N SER A 63 -0.615 -9.681 5.280 1.00 0.00 N ATOM 899 CA SER A 63 -1.028 -10.924 4.651 1.00 0.00 C ATOM 900 C SER A 63 -2.064 -11.634 5.524 1.00 0.00 C ATOM 901 O SER A 63 -2.609 -12.666 5.133 1.00 0.00 O ATOM 902 CB SER A 63 0.172 -11.839 4.400 1.00 0.00 C ATOM 903 OG SER A 63 -0.162 -12.940 3.561 1.00 0.00 O ATOM 0 H SER A 63 0.371 -9.641 5.539 1.00 0.00 H new ATOM 0 HA SER A 63 -1.477 -10.686 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.976 -11.264 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.550 -12.211 5.352 1.00 0.00 H new ATOM 0 HG SER A 63 -1.081 -13.226 3.747 1.00 0.00 H new ATOM 909 N SER A 64 -2.306 -11.054 6.690 1.00 0.00 N ATOM 910 CA SER A 64 -3.267 -11.619 7.622 1.00 0.00 C ATOM 911 C SER A 64 -4.605 -10.885 7.503 1.00 0.00 C ATOM 912 O SER A 64 -5.588 -11.275 8.130 1.00 0.00 O ATOM 913 CB SER A 64 -2.749 -11.546 9.059 1.00 0.00 C ATOM 914 OG SER A 64 -1.326 -11.586 9.116 1.00 0.00 O ATOM 0 H SER A 64 -1.853 -10.198 7.011 1.00 0.00 H new ATOM 0 HA SER A 64 -3.411 -12.669 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.105 -10.628 9.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.158 -12.376 9.635 1.00 0.00 H new ATOM 0 HG SER A 64 -1.034 -11.535 10.050 1.00 0.00 H new ATOM 920 N GLY A 65 -4.597 -9.836 6.694 1.00 0.00 N ATOM 921 CA GLY A 65 -5.797 -9.043 6.485 1.00 0.00 C ATOM 922 C GLY A 65 -6.111 -8.187 7.714 1.00 0.00 C ATOM 923 O GLY A 65 -7.274 -8.008 8.070 1.00 0.00 O ATOM 0 H GLY A 65 -3.779 -9.517 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.665 -8.401 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.639 -9.701 6.271 1.00 0.00 H new ATOM 927 N ASP A 66 -5.052 -7.681 8.328 1.00 0.00 N ATOM 928 CA ASP A 66 -5.198 -6.848 9.509 1.00 0.00 C ATOM 929 C ASP A 66 -4.783 -5.415 9.173 1.00 0.00 C ATOM 930 O ASP A 66 -4.708 -5.045 8.001 1.00 0.00 O ATOM 931 CB ASP A 66 -4.305 -7.344 10.648 1.00 0.00 C ATOM 932 CG ASP A 66 -4.717 -8.686 11.255 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.862 -9.645 10.467 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.878 -8.723 12.495 1.00 0.00 O ATOM 0 H ASP A 66 -4.088 -7.832 8.029 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.241 -6.891 9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.283 -7.428 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.297 -6.592 11.437 1.00 0.00 H new ATOM 939 N VAL A 67 -4.523 -4.646 10.220 1.00 0.00 N ATOM 940 CA VAL A 67 -4.117 -3.261 10.050 1.00 0.00 C ATOM 941 C VAL A 67 -2.724 -3.065 10.652 1.00 0.00 C ATOM 942 O VAL A 67 -2.521 -3.298 11.843 1.00 0.00 O ATOM 943 CB VAL A 67 -5.167 -2.329 10.657 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.594 -0.929 10.883 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.422 -2.273 9.782 1.00 0.00 C ATOM 0 H VAL A 67 -4.586 -4.956 11.190 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.052 -3.009 8.991 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.452 -2.734 11.628 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.362 -0.287 11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.745 -0.989 11.564 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.266 -0.512 9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.153 -1.604 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.158 -1.904 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.850 -3.272 9.695 1.00 0.00 H new ATOM 955 N TYR A 68 -1.802 -2.638 9.803 1.00 0.00 N ATOM 956 CA TYR A 68 -0.434 -2.408 10.237 1.00 0.00 C ATOM 957 C TYR A 68 -0.344 -1.169 11.130 1.00 0.00 C ATOM 958 O TYR A 68 -0.378 -0.042 10.640 1.00 0.00 O ATOM 959 CB TYR A 68 0.377 -2.163 8.963 1.00 0.00 C ATOM 960 CG TYR A 68 1.155 -3.388 8.476 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.046 -4.020 9.319 1.00 0.00 C ATOM 962 CD2 TYR A 68 0.965 -3.861 7.193 1.00 0.00 C ATOM 963 CE1 TYR A 68 2.778 -5.173 8.861 1.00 0.00 C ATOM 964 CE2 TYR A 68 1.697 -5.013 6.735 1.00 0.00 C ATOM 965 CZ TYR A 68 2.567 -5.612 7.592 1.00 0.00 C ATOM 966 OH TYR A 68 3.259 -6.700 7.159 1.00 0.00 O ATOM 0 H TYR A 68 -1.975 -2.445 8.816 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.065 -3.258 10.811 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.298 -1.836 8.172 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.078 -1.348 9.142 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.195 -3.650 10.323 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.267 -3.367 6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.478 -5.677 9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.558 -5.393 5.734 1.00 0.00 H new ATOM 0 HH TYR A 68 4.209 -6.588 7.370 1.00 0.00 H new ATOM 976 N SER A 69 -0.229 -1.421 12.426 1.00 0.00 N ATOM 977 CA SER A 69 -0.133 -0.340 13.393 1.00 0.00 C ATOM 978 C SER A 69 1.322 -0.156 13.829 1.00 0.00 C ATOM 979 O SER A 69 1.593 0.124 14.996 1.00 0.00 O ATOM 980 CB SER A 69 -1.022 -0.607 14.608 1.00 0.00 C ATOM 981 OG SER A 69 -0.562 -1.719 15.372 1.00 0.00 O ATOM 0 H SER A 69 -0.200 -2.358 12.829 1.00 0.00 H new ATOM 0 HA SER A 69 -0.482 0.577 12.917 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.049 0.281 15.240 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.043 -0.793 14.276 1.00 0.00 H new ATOM 0 HG SER A 69 -1.155 -1.856 16.140 1.00 0.00 H new ATOM 987 N GLY A 70 2.220 -0.320 12.869 1.00 0.00 N ATOM 988 CA GLY A 70 3.640 -0.175 13.139 1.00 0.00 C ATOM 989 C GLY A 70 4.379 0.367 11.914 1.00 0.00 C ATOM 990 O GLY A 70 3.869 0.301 10.797 1.00 0.00 O ATOM 0 H GLY A 70 1.991 -0.552 11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.786 0.498 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.060 -1.140 13.424 1.00 0.00 H new ATOM 994 N GLY A 71 5.569 0.893 12.166 1.00 0.00 N ATOM 995 CA GLY A 71 6.384 1.447 11.098 1.00 0.00 C ATOM 996 C GLY A 71 7.152 0.344 10.366 1.00 0.00 C ATOM 997 O GLY A 71 7.721 0.580 9.301 1.00 0.00 O ATOM 0 H GLY A 71 5.988 0.947 13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.750 1.983 10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.086 2.172 11.510 1.00 0.00 H new ATOM 1001 N SER A 72 7.143 -0.837 10.967 1.00 0.00 N ATOM 1002 CA SER A 72 7.833 -1.977 10.385 1.00 0.00 C ATOM 1003 C SER A 72 6.822 -3.060 10.003 1.00 0.00 C ATOM 1004 O SER A 72 6.689 -4.064 10.702 1.00 0.00 O ATOM 1005 CB SER A 72 8.876 -2.542 11.352 1.00 0.00 C ATOM 1006 OG SER A 72 9.365 -3.810 10.927 1.00 0.00 O ATOM 0 H SER A 72 6.670 -1.029 11.850 1.00 0.00 H new ATOM 0 HA SER A 72 8.353 -1.641 9.488 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.708 -1.843 11.437 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.436 -2.637 12.345 1.00 0.00 H new ATOM 0 HG SER A 72 8.626 -4.453 10.900 1.00 0.00 H new ATOM 1012 N PRO A 73 6.118 -2.813 8.867 1.00 0.00 N ATOM 1013 CA PRO A 73 5.123 -3.756 8.383 1.00 0.00 C ATOM 1014 C PRO A 73 5.789 -4.978 7.747 1.00 0.00 C ATOM 1015 O PRO A 73 5.333 -6.106 7.931 1.00 0.00 O ATOM 1016 CB PRO A 73 4.275 -2.964 7.402 1.00 0.00 C ATOM 1017 CG PRO A 73 5.103 -1.748 7.021 1.00 0.00 C ATOM 1018 CD PRO A 73 6.249 -1.636 8.014 1.00 0.00 C ATOM 0 HA PRO A 73 4.506 -4.164 9.183 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.033 -3.562 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.329 -2.666 7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.486 -1.850 6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.490 -0.847 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.213 -1.621 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.181 -0.716 8.595 1.00 0.00 H new ATOM 1026 N GLY A 74 6.859 -4.713 7.011 1.00 0.00 N ATOM 1027 CA GLY A 74 7.592 -5.777 6.346 1.00 0.00 C ATOM 1028 C GLY A 74 8.130 -5.310 4.992 1.00 0.00 C ATOM 1029 O GLY A 74 9.034 -4.477 4.933 1.00 0.00 O ATOM 0 H GLY A 74 7.236 -3.777 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.419 -6.103 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.940 -6.639 6.204 1.00 0.00 H new ATOM 1033 N ALA A 75 7.551 -5.865 3.938 1.00 0.00 N ATOM 1034 CA ALA A 75 7.961 -5.516 2.589 1.00 0.00 C ATOM 1035 C ALA A 75 6.725 -5.157 1.762 1.00 0.00 C ATOM 1036 O ALA A 75 6.748 -4.202 0.987 1.00 0.00 O ATOM 1037 CB ALA A 75 8.754 -6.673 1.980 1.00 0.00 C ATOM 0 H ALA A 75 6.801 -6.554 3.991 1.00 0.00 H new ATOM 0 HA ALA A 75 8.615 -4.644 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.061 -6.410 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.637 -6.869 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.129 -7.566 1.949 1.00 0.00 H new ATOM 1043 N ASP A 76 5.675 -5.941 1.955 1.00 0.00 N ATOM 1044 CA ASP A 76 4.432 -5.719 1.237 1.00 0.00 C ATOM 1045 C ASP A 76 3.861 -4.353 1.625 1.00 0.00 C ATOM 1046 O ASP A 76 3.742 -4.040 2.809 1.00 0.00 O ATOM 1047 CB ASP A 76 3.392 -6.784 1.591 1.00 0.00 C ATOM 1048 CG ASP A 76 3.950 -8.197 1.770 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.932 -8.513 1.064 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.380 -8.931 2.607 1.00 0.00 O ATOM 0 H ASP A 76 5.660 -6.732 2.599 1.00 0.00 H new ATOM 0 HA ASP A 76 4.647 -5.767 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.890 -6.488 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.634 -6.805 0.808 1.00 0.00 H new ATOM 1055 N ARG A 77 3.524 -3.577 0.606 1.00 0.00 N ATOM 1056 CA ARG A 77 2.968 -2.252 0.826 1.00 0.00 C ATOM 1057 C ARG A 77 1.969 -1.906 -0.280 1.00 0.00 C ATOM 1058 O ARG A 77 2.157 -2.288 -1.434 1.00 0.00 O ATOM 1059 CB ARG A 77 4.070 -1.192 0.858 1.00 0.00 C ATOM 1060 CG ARG A 77 5.268 -1.671 1.680 1.00 0.00 C ATOM 1061 CD ARG A 77 5.138 -1.241 3.143 1.00 0.00 C ATOM 1062 NE ARG A 77 6.459 -1.295 3.807 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.884 -2.324 4.552 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.094 -3.390 4.733 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.099 -2.287 5.116 1.00 0.00 N ATOM 0 H ARG A 77 3.625 -3.840 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 77 2.459 -2.261 1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.390 -0.964 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.679 -0.268 1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.342 -2.757 1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.188 -1.266 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.735 -0.230 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.435 -1.893 3.661 1.00 0.00 H new ATOM 0 HE ARG A 77 7.086 -0.499 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.169 -3.418 4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.417 -4.174 5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.701 -1.475 4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.422 -3.071 5.683 1.00 0.00 H new ATOM 1079 N VAL A 78 0.928 -1.185 0.113 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.102 -0.783 -0.831 1.00 0.00 C ATOM 1081 C VAL A 78 0.034 0.714 -1.120 1.00 0.00 C ATOM 1082 O VAL A 78 0.615 1.452 -0.325 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.482 -1.165 -0.294 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.366 -2.179 0.846 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.259 0.074 0.152 1.00 0.00 C ATOM 0 H VAL A 78 0.776 -0.869 1.071 1.00 0.00 H new ATOM 0 HA VAL A 78 0.021 -1.310 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.038 -1.635 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.362 -2.433 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.871 -3.080 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.782 -1.747 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.237 -0.226 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.707 0.585 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.388 0.747 -0.696 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.511 1.116 -2.258 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.458 2.511 -2.661 1.00 0.00 C ATOM 1097 C VAL A 79 -1.801 2.911 -3.275 1.00 0.00 C ATOM 1098 O VAL A 79 -1.936 2.972 -4.496 1.00 0.00 O ATOM 1099 CB VAL A 79 0.723 2.738 -3.606 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.716 4.165 -4.160 1.00 0.00 C ATOM 1101 CG2 VAL A 79 2.050 2.425 -2.912 1.00 0.00 C ATOM 0 H VAL A 79 -0.992 0.500 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.292 3.153 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 79 0.616 2.052 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.566 4.300 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.209 4.337 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.786 4.875 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.873 2.595 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.168 3.073 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.056 1.383 -2.591 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.760 3.175 -2.400 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.088 3.568 -2.840 1.00 0.00 C ATOM 1113 C PHE A 80 -4.197 5.089 -2.962 1.00 0.00 C ATOM 1114 O PHE A 80 -3.185 5.786 -3.002 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.075 3.081 -1.777 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.942 3.796 -0.431 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.862 3.562 0.360 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.905 4.667 -0.026 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.739 4.225 1.610 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.782 5.331 1.223 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.702 5.096 2.014 1.00 0.00 C ATOM 0 H PHE A 80 -2.644 3.124 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.299 3.136 -3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.090 3.216 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.931 2.011 -1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.097 2.871 0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.763 4.854 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.881 4.038 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.547 6.023 1.544 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.609 5.601 2.964 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.435 5.559 -3.017 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.690 6.984 -3.134 1.00 0.00 C ATOM 1133 C ASN A 81 -6.736 7.397 -2.097 1.00 0.00 C ATOM 1134 O ASN A 81 -7.033 6.640 -1.174 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.235 7.335 -4.520 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.802 6.298 -5.558 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.925 6.528 -6.375 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.464 5.147 -5.481 1.00 0.00 N ATOM 0 H ASN A 81 -6.272 4.977 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.748 7.509 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.323 7.387 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.878 8.322 -4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.249 4.390 -6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.187 5.021 -4.773 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.266 8.597 -2.282 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.272 9.120 -1.374 1.00 0.00 C ATOM 1147 C GLU A 82 -9.673 8.742 -1.859 1.00 0.00 C ATOM 1148 O GLU A 82 -10.663 9.326 -1.423 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.137 10.636 -1.220 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.554 11.084 0.183 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.498 12.286 0.117 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -10.268 12.350 -0.867 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.430 13.113 1.051 1.00 0.00 O ATOM 0 H GLU A 82 -7.017 9.223 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.115 8.672 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.106 10.934 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.755 11.137 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.045 10.260 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.669 11.344 0.764 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.710 7.766 -2.755 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.973 7.303 -3.304 1.00 0.00 C ATOM 1162 C ASN A 83 -11.306 5.929 -2.716 1.00 0.00 C ATOM 1163 O ASN A 83 -12.471 5.538 -2.666 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.894 7.160 -4.825 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.445 7.255 -5.309 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.881 8.326 -5.454 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.877 6.077 -5.551 1.00 0.00 N ATOM 0 H ASN A 83 -8.886 7.284 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.740 8.035 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.320 6.203 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.492 7.939 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.912 6.034 -5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.406 5.217 -5.409 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.261 5.235 -2.289 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.429 3.914 -1.708 1.00 0.00 C ATOM 1176 C ASN A 84 -9.903 2.861 -2.685 1.00 0.00 C ATOM 1177 O ASN A 84 -10.271 1.690 -2.598 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.905 3.614 -1.437 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.607 3.130 -2.707 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.597 2.417 -2.667 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.042 3.555 -3.833 1.00 0.00 N ATOM 0 H ASN A 84 -9.296 5.562 -2.334 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.878 3.887 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.989 2.855 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.399 4.510 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.436 3.286 -4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.214 4.150 -3.795 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.053 3.315 -3.594 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.473 2.428 -4.586 1.00 0.00 C ATOM 1190 C GLN A 85 -6.999 2.165 -4.269 1.00 0.00 C ATOM 1191 O GLN A 85 -6.193 3.094 -4.238 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.637 3.000 -5.997 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.114 3.210 -6.335 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.271 3.967 -7.655 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.310 3.391 -8.730 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -10.360 5.286 -7.515 1.00 0.00 N ATOM 0 H GLN A 85 -8.752 4.287 -3.664 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.006 1.478 -4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.104 3.948 -6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.187 2.322 -6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.616 2.245 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.599 3.766 -5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.320 5.704 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.468 5.880 -8.337 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.693 0.896 -4.040 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.330 0.501 -3.726 1.00 0.00 C ATOM 1207 C LEU A 86 -4.657 -0.041 -4.988 1.00 0.00 C ATOM 1208 O LEU A 86 -5.305 -0.684 -5.814 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.316 -0.479 -2.551 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.007 -1.240 -2.330 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.071 -2.082 -1.054 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.648 -2.083 -3.555 1.00 0.00 C ATOM 0 H LEU A 86 -7.365 0.129 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.748 1.363 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.551 0.072 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.115 -1.205 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.208 -0.511 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.128 -2.613 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.246 -1.431 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.885 -2.803 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.714 -2.613 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.443 -2.804 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.532 -1.433 -4.422 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.367 0.238 -5.098 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.599 -0.215 -6.246 1.00 0.00 C ATOM 1226 C ALA A 87 -1.136 -0.397 -5.836 1.00 0.00 C ATOM 1227 O ALA A 87 -0.462 -1.307 -6.314 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.764 0.782 -7.395 1.00 0.00 C ATOM 0 H ALA A 87 -2.834 0.772 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.965 -1.180 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.188 0.443 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.817 0.852 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.404 1.762 -7.081 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.688 0.486 -4.955 1.00 0.00 N ATOM 1235 CA GLY A 88 0.683 0.435 -4.476 1.00 0.00 C ATOM 1236 C GLY A 88 0.956 -0.877 -3.737 1.00 0.00 C ATOM 1237 O GLY A 88 1.435 -0.866 -2.604 1.00 0.00 O ATOM 0 H GLY A 88 -1.250 1.240 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.370 0.533 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.871 1.278 -3.811 1.00 0.00 H new ATOM 1241 N VAL A 89 0.640 -1.974 -4.408 1.00 0.00 N ATOM 1242 CA VAL A 89 0.846 -3.291 -3.829 1.00 0.00 C ATOM 1243 C VAL A 89 2.312 -3.693 -3.993 1.00 0.00 C ATOM 1244 O VAL A 89 2.622 -4.870 -4.167 1.00 0.00 O ATOM 1245 CB VAL A 89 -0.123 -4.295 -4.456 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.512 -5.685 -4.550 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.441 -4.346 -3.679 1.00 0.00 C ATOM 0 H VAL A 89 0.243 -1.978 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 89 0.632 -3.276 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.344 -3.958 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.198 -6.380 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.410 -5.634 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.777 -6.032 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.111 -5.068 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.245 -4.646 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.906 -3.360 -3.687 1.00 0.00 H new ATOM 1257 N ILE A 90 3.177 -2.690 -3.933 1.00 0.00 N ATOM 1258 CA ILE A 90 4.605 -2.924 -4.073 1.00 0.00 C ATOM 1259 C ILE A 90 5.098 -3.762 -2.892 1.00 0.00 C ATOM 1260 O ILE A 90 4.335 -4.058 -1.975 1.00 0.00 O ATOM 1261 CB ILE A 90 5.350 -1.599 -4.241 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.498 -0.878 -2.900 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.674 -0.719 -5.294 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.628 0.380 -2.855 1.00 0.00 C ATOM 0 H ILE A 90 2.917 -1.714 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 90 4.811 -3.496 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 90 6.355 -1.817 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.215 -1.549 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.542 -0.608 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.224 0.217 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.666 -1.239 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.650 -0.507 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.752 0.874 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.929 1.060 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.582 0.104 -2.990 1.00 0.00 H new ATOM 1276 N THR A 91 6.372 -4.122 -2.954 1.00 0.00 N ATOM 1277 CA THR A 91 6.977 -4.919 -1.901 1.00 0.00 C ATOM 1278 C THR A 91 8.503 -4.840 -1.980 1.00 0.00 C ATOM 1279 O THR A 91 9.061 -4.620 -3.054 1.00 0.00 O ATOM 1280 CB THR A 91 6.436 -6.346 -2.020 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.508 -7.163 -1.556 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.240 -6.779 -3.474 1.00 0.00 C ATOM 0 H THR A 91 7.002 -3.876 -3.718 1.00 0.00 H new ATOM 0 HA THR A 91 6.714 -4.536 -0.915 1.00 0.00 H new ATOM 0 HB THR A 91 5.487 -6.420 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.308 -8.104 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.855 -7.798 -3.501 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.530 -6.110 -3.960 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.195 -6.738 -3.998 1.00 0.00 H new ATOM 1290 N HIS A 92 9.133 -5.023 -0.830 1.00 0.00 N ATOM 1291 CA HIS A 92 10.584 -4.975 -0.756 1.00 0.00 C ATOM 1292 C HIS A 92 11.171 -6.260 -1.341 1.00 0.00 C ATOM 1293 O HIS A 92 12.367 -6.518 -1.208 1.00 0.00 O ATOM 1294 CB HIS A 92 11.046 -4.711 0.678 1.00 0.00 C ATOM 1295 CG HIS A 92 10.923 -3.268 1.107 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.903 -2.617 1.837 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.928 -2.358 0.902 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.503 -1.372 2.056 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.280 -1.215 1.476 1.00 0.00 N ATOM 0 H HIS A 92 8.666 -5.205 0.058 1.00 0.00 H new ATOM 0 HA HIS A 92 10.955 -4.143 -1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.462 -5.332 1.357 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.086 -5.021 0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.009 -2.538 0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.050 -0.615 2.599 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.726 -0.359 1.482 1.00 0.00 H new ATOM 1308 N THR A 93 10.303 -7.033 -1.977 1.00 0.00 N ATOM 1309 CA THR A 93 10.720 -8.286 -2.583 1.00 0.00 C ATOM 1310 C THR A 93 11.967 -8.073 -3.445 1.00 0.00 C ATOM 1311 O THR A 93 11.861 -7.790 -4.638 1.00 0.00 O ATOM 1312 CB THR A 93 9.532 -8.853 -3.364 1.00 0.00 C ATOM 1313 OG1 THR A 93 8.868 -9.692 -2.423 1.00 0.00 O ATOM 1314 CG2 THR A 93 9.965 -9.810 -4.476 1.00 0.00 C ATOM 0 H THR A 93 9.312 -6.816 -2.086 1.00 0.00 H new ATOM 0 HA THR A 93 11.007 -9.015 -1.825 1.00 0.00 H new ATOM 0 HB THR A 93 8.956 -8.034 -3.795 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.019 -10.001 -2.802 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.084 -10.183 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.608 -9.282 -5.180 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.512 -10.648 -4.043 1.00 0.00 H new ATOM 1322 N GLY A 94 13.119 -8.216 -2.807 1.00 0.00 N ATOM 1323 CA GLY A 94 14.385 -8.042 -3.500 1.00 0.00 C ATOM 1324 C GLY A 94 14.244 -7.052 -4.657 1.00 0.00 C ATOM 1325 O GLY A 94 14.772 -7.282 -5.744 1.00 0.00 O ATOM 0 H GLY A 94 13.203 -8.450 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.141 -7.684 -2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.731 -9.003 -3.879 1.00 0.00 H new ATOM 1329 N ALA A 95 13.530 -5.968 -4.384 1.00 0.00 N ATOM 1330 CA ALA A 95 13.314 -4.942 -5.390 1.00 0.00 C ATOM 1331 C ALA A 95 14.663 -4.356 -5.812 1.00 0.00 C ATOM 1332 O ALA A 95 14.734 -3.567 -6.754 1.00 0.00 O ATOM 1333 CB ALA A 95 12.364 -3.878 -4.836 1.00 0.00 C ATOM 0 H ALA A 95 13.094 -5.779 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 95 12.847 -5.367 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.201 -3.108 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.411 -4.340 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.802 -3.427 -3.945 1.00 0.00 H new ATOM 1339 N SER A 96 15.700 -4.763 -5.095 1.00 0.00 N ATOM 1340 CA SER A 96 17.043 -4.289 -5.384 1.00 0.00 C ATOM 1341 C SER A 96 17.421 -3.168 -4.415 1.00 0.00 C ATOM 1342 O SER A 96 17.934 -2.129 -4.831 1.00 0.00 O ATOM 1343 CB SER A 96 17.156 -3.801 -6.830 1.00 0.00 C ATOM 1344 OG SER A 96 18.506 -3.787 -7.286 1.00 0.00 O ATOM 0 H SER A 96 15.637 -5.416 -4.314 1.00 0.00 H new ATOM 0 HA SER A 96 17.735 -5.121 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.562 -4.446 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.737 -2.798 -6.908 1.00 0.00 H new ATOM 0 HG SER A 96 18.535 -3.471 -8.213 1.00 0.00 H new ATOM 1350 N GLY A 97 17.154 -3.415 -3.142 1.00 0.00 N ATOM 1351 CA GLY A 97 17.459 -2.439 -2.109 1.00 0.00 C ATOM 1352 C GLY A 97 16.194 -2.013 -1.365 1.00 0.00 C ATOM 1353 O GLY A 97 15.406 -2.856 -0.938 1.00 0.00 O ATOM 0 H GLY A 97 16.729 -4.278 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.174 -2.862 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.932 -1.566 -2.558 1.00 0.00 H new ATOM 1357 N ASN A 98 16.036 -0.703 -1.231 1.00 0.00 N ATOM 1358 CA ASN A 98 14.878 -0.155 -0.546 1.00 0.00 C ATOM 1359 C ASN A 98 13.809 0.214 -1.576 1.00 0.00 C ATOM 1360 O ASN A 98 12.810 0.848 -1.238 1.00 0.00 O ATOM 1361 CB ASN A 98 15.246 1.112 0.230 1.00 0.00 C ATOM 1362 CG ASN A 98 14.003 1.758 0.846 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.902 2.966 0.979 1.00 0.00 O ATOM 1364 ND2 ASN A 98 13.067 0.888 1.212 1.00 0.00 N ATOM 0 H ASN A 98 16.691 -0.006 -1.585 1.00 0.00 H new ATOM 0 HA ASN A 98 14.509 -0.909 0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.960 0.867 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.737 1.821 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.199 1.220 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.217 -0.111 1.072 1.00 0.00 H new ATOM 1371 N ASN A 99 14.054 -0.198 -2.810 1.00 0.00 N ATOM 1372 CA ASN A 99 13.124 0.082 -3.891 1.00 0.00 C ATOM 1373 C ASN A 99 11.848 -0.736 -3.684 1.00 0.00 C ATOM 1374 O ASN A 99 11.826 -1.668 -2.881 1.00 0.00 O ATOM 1375 CB ASN A 99 13.721 -0.308 -5.245 1.00 0.00 C ATOM 1376 CG ASN A 99 14.846 -1.331 -5.075 1.00 0.00 C ATOM 1377 OD1 ASN A 99 15.892 -1.250 -5.696 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.572 -2.296 -4.202 1.00 0.00 N ATOM 0 H ASN A 99 14.883 -0.724 -3.086 1.00 0.00 H new ATOM 0 HA ASN A 99 12.911 1.151 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.941 -0.723 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.105 0.580 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.258 -3.028 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.675 -2.304 -3.716 1.00 0.00 H new ATOM 1385 N PHE A 100 10.815 -0.359 -4.424 1.00 0.00 N ATOM 1386 CA PHE A 100 9.537 -1.045 -4.332 1.00 0.00 C ATOM 1387 C PHE A 100 9.151 -1.666 -5.675 1.00 0.00 C ATOM 1388 O PHE A 100 9.732 -1.334 -6.708 1.00 0.00 O ATOM 1389 CB PHE A 100 8.493 0.005 -3.950 1.00 0.00 C ATOM 1390 CG PHE A 100 8.421 0.294 -2.449 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.167 -0.715 -1.572 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.612 1.560 -1.990 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.101 -0.446 -0.180 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.547 1.829 -0.598 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.292 0.819 0.279 1.00 0.00 C ATOM 0 H PHE A 100 10.837 0.413 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 100 9.596 -1.846 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.715 0.932 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.514 -0.330 -4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.016 -1.721 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.813 2.361 -2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.899 -1.247 0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.700 2.834 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.242 1.023 1.338 1.00 0.00 H new ATOM 1405 N VAL A 101 8.173 -2.558 -5.619 1.00 0.00 N ATOM 1406 CA VAL A 101 7.702 -3.228 -6.819 1.00 0.00 C ATOM 1407 C VAL A 101 6.329 -3.847 -6.547 1.00 0.00 C ATOM 1408 O VAL A 101 6.164 -4.602 -5.589 1.00 0.00 O ATOM 1409 CB VAL A 101 8.738 -4.254 -7.286 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.056 -3.571 -7.658 1.00 0.00 C ATOM 1411 CG2 VAL A 101 8.959 -5.333 -6.224 1.00 0.00 C ATOM 0 H VAL A 101 7.694 -2.832 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 101 7.581 -2.513 -7.633 1.00 0.00 H new ATOM 0 HB VAL A 101 8.349 -4.740 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.775 -4.322 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.882 -2.858 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.452 -3.046 -6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.699 -6.049 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.316 -4.870 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.019 -5.850 -6.029 1.00 0.00 H new ATOM 1421 N GLU A 102 5.380 -3.506 -7.406 1.00 0.00 N ATOM 1422 CA GLU A 102 4.028 -4.018 -7.270 1.00 0.00 C ATOM 1423 C GLU A 102 4.051 -5.538 -7.099 1.00 0.00 C ATOM 1424 O GLU A 102 4.721 -6.241 -7.854 1.00 0.00 O ATOM 1425 CB GLU A 102 3.166 -3.614 -8.467 1.00 0.00 C ATOM 1426 CG GLU A 102 4.028 -3.375 -9.709 1.00 0.00 C ATOM 1427 CD GLU A 102 3.202 -3.526 -10.988 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.636 -2.501 -11.423 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.155 -4.665 -11.502 1.00 0.00 O ATOM 0 H GLU A 102 5.521 -2.881 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 102 3.582 -3.578 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.434 -4.395 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.607 -2.709 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.462 -2.376 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.857 -4.082 -9.722 1.00 0.00 H new ATOM 1436 N CYS A 103 3.310 -6.002 -6.103 1.00 0.00 N ATOM 1437 CA CYS A 103 3.237 -7.425 -5.824 1.00 0.00 C ATOM 1438 C CYS A 103 2.680 -8.130 -7.062 1.00 0.00 C ATOM 1439 O CYS A 103 2.422 -9.333 -7.033 1.00 0.00 O ATOM 1440 CB CYS A 103 2.399 -7.715 -4.577 1.00 0.00 C ATOM 1441 SG CYS A 103 3.224 -7.327 -2.990 1.00 0.00 S ATOM 0 H CYS A 103 2.755 -5.416 -5.479 1.00 0.00 H new ATOM 0 HA CYS A 103 4.235 -7.807 -5.608 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.473 -7.144 -4.638 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.124 -8.770 -4.579 1.00 0.00 H new ATOM 0 HG CYS A 103 2.612 -7.941 -2.021 1.00 0.00 H new ATOM 1446 N THR A 104 2.511 -7.351 -8.121 1.00 0.00 N ATOM 1447 CA THR A 104 1.990 -7.886 -9.368 1.00 0.00 C ATOM 1448 C THR A 104 0.490 -8.163 -9.243 1.00 0.00 C ATOM 1449 O THR A 104 -0.308 -7.645 -10.022 1.00 0.00 O ATOM 1450 CB THR A 104 2.809 -9.126 -9.729 1.00 0.00 C ATOM 1451 OG1 THR A 104 2.090 -10.203 -9.135 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.169 -9.155 -9.029 1.00 0.00 C ATOM 0 H THR A 104 2.726 -6.354 -8.141 1.00 0.00 H new ATOM 0 HA THR A 104 2.089 -7.166 -10.180 1.00 0.00 H new ATOM 0 HB THR A 104 2.956 -9.161 -10.808 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.151 -10.138 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.709 -10.056 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.746 -8.277 -9.318 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.022 -9.153 -7.949 1.00 0.00 H new TER 1460 THR A 104