USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0963) USER MOD Set 1.3: A 88 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.128 USER MOD Single : A 5 SER OG : rot 41:sc= 0.123 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-3.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -139:sc= -2.12! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -160:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= -0.419 (180deg=-2.11!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= 0.0172 F(o=-1.6,f=0.017) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.14 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.19 USER MOD Single : A 70 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 73 GLN :FLIP amide:sc= -1.47! C(o=-2.6!,f=-1.5!) USER MOD Single : A 77 ASN : amide:sc= -1.39! C(o=-1.4!,f=-6.1!) USER MOD Single : A 78 TYR OH : rot -4:sc= -0.0953! USER MOD Single : A 85 ASN : amide:sc= -8.1! C(o=-8.1!,f=-9.3!) USER MOD Single : A 92 SER OG : rot 159:sc= 1.18 USER MOD Single : A 94 TYR OH : rot 38:sc= -4.29 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.460 19.666 6.657 1.00 0.00 N ATOM 2 CA GLY A 1 -21.096 19.618 6.165 1.00 0.00 C ATOM 3 C GLY A 1 -20.370 20.938 6.338 1.00 0.00 C ATOM 4 O GLY A 1 -20.838 21.977 5.872 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.913 18.740 6.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.455 19.898 7.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.991 20.394 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.550 18.835 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.103 19.346 5.109 1.00 0.00 H new ATOM 8 N SER A 2 -19.225 20.899 7.011 1.00 0.00 N ATOM 9 CA SER A 2 -18.437 22.102 7.250 1.00 0.00 C ATOM 10 C SER A 2 -17.362 22.268 6.180 1.00 0.00 C ATOM 11 O SER A 2 -16.744 21.293 5.750 1.00 0.00 O ATOM 12 CB SER A 2 -17.791 22.048 8.635 1.00 0.00 C ATOM 13 OG SER A 2 -17.345 23.331 9.040 1.00 0.00 O ATOM 0 H SER A 2 -18.822 20.047 7.401 1.00 0.00 H new ATOM 0 HA SER A 2 -19.107 22.961 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.509 21.663 9.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.950 21.355 8.621 1.00 0.00 H new ATOM 0 HG SER A 2 -16.937 23.270 9.929 1.00 0.00 H new ATOM 19 N SER A 3 -17.143 23.508 5.756 1.00 0.00 N ATOM 20 CA SER A 3 -16.146 23.802 4.734 1.00 0.00 C ATOM 21 C SER A 3 -15.623 25.229 4.879 1.00 0.00 C ATOM 22 O SER A 3 -16.399 26.177 4.982 1.00 0.00 O ATOM 23 CB SER A 3 -16.740 23.603 3.338 1.00 0.00 C ATOM 24 OG SER A 3 -17.863 24.445 3.139 1.00 0.00 O ATOM 0 H SER A 3 -17.643 24.326 6.105 1.00 0.00 H new ATOM 0 HA SER A 3 -15.312 23.113 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.983 23.816 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.035 22.561 3.209 1.00 0.00 H new ATOM 0 HG SER A 3 -17.817 25.203 3.759 1.00 0.00 H new ATOM 30 N GLY A 4 -14.301 25.370 4.887 1.00 0.00 N ATOM 31 CA GLY A 4 -13.697 26.683 5.020 1.00 0.00 C ATOM 32 C GLY A 4 -12.451 26.662 5.885 1.00 0.00 C ATOM 33 O GLY A 4 -12.453 27.185 6.999 1.00 0.00 O ATOM 0 H GLY A 4 -13.638 24.599 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.443 27.065 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.423 27.372 5.451 1.00 0.00 H new ATOM 37 N SER A 5 -11.386 26.056 5.371 1.00 0.00 N ATOM 38 CA SER A 5 -10.130 25.965 6.105 1.00 0.00 C ATOM 39 C SER A 5 -8.952 25.798 5.151 1.00 0.00 C ATOM 40 O SER A 5 -8.929 24.880 4.331 1.00 0.00 O ATOM 41 CB SER A 5 -10.174 24.794 7.090 1.00 0.00 C ATOM 42 OG SER A 5 -10.559 23.595 6.438 1.00 0.00 O ATOM 0 H SER A 5 -11.368 25.621 4.449 1.00 0.00 H new ATOM 0 HA SER A 5 -9.995 26.893 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.194 24.664 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.876 25.017 7.894 1.00 0.00 H new ATOM 0 HG SER A 5 -10.115 23.540 5.566 1.00 0.00 H new ATOM 48 N SER A 6 -7.976 26.692 5.262 1.00 0.00 N ATOM 49 CA SER A 6 -6.795 26.647 4.407 1.00 0.00 C ATOM 50 C SER A 6 -6.035 25.339 4.600 1.00 0.00 C ATOM 51 O SER A 6 -6.178 24.668 5.621 1.00 0.00 O ATOM 52 CB SER A 6 -5.877 27.833 4.706 1.00 0.00 C ATOM 53 OG SER A 6 -5.511 27.862 6.074 1.00 0.00 O ATOM 0 H SER A 6 -7.979 27.457 5.936 1.00 0.00 H new ATOM 0 HA SER A 6 -7.125 26.706 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.981 27.769 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.381 28.763 4.441 1.00 0.00 H new ATOM 0 HG SER A 6 -4.923 28.628 6.239 1.00 0.00 H new ATOM 59 N GLY A 7 -5.224 24.981 3.607 1.00 0.00 N ATOM 60 CA GLY A 7 -4.452 23.755 3.686 1.00 0.00 C ATOM 61 C GLY A 7 -4.767 22.799 2.553 1.00 0.00 C ATOM 62 O GLY A 7 -4.875 21.591 2.764 1.00 0.00 O ATOM 0 H GLY A 7 -5.089 25.518 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.389 23.997 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.652 23.264 4.638 1.00 0.00 H new ATOM 66 N GLU A 8 -4.915 23.340 1.348 1.00 0.00 N ATOM 67 CA GLU A 8 -5.222 22.524 0.178 1.00 0.00 C ATOM 68 C GLU A 8 -4.072 21.572 -0.138 1.00 0.00 C ATOM 69 O GLU A 8 -2.906 21.967 -0.138 1.00 0.00 O ATOM 70 CB GLU A 8 -5.507 23.417 -1.031 1.00 0.00 C ATOM 71 CG GLU A 8 -6.887 24.052 -1.007 1.00 0.00 C ATOM 72 CD GLU A 8 -6.977 25.287 -1.884 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.423 26.335 -1.489 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.599 25.204 -2.963 1.00 0.00 O ATOM 0 H GLU A 8 -4.828 24.338 1.156 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.109 21.932 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.755 24.205 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.404 22.826 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.625 23.321 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.142 24.320 0.018 1.00 0.00 H new ATOM 81 N GLY A 9 -4.410 20.314 -0.408 1.00 0.00 N ATOM 82 CA GLY A 9 -3.397 19.325 -0.722 1.00 0.00 C ATOM 83 C GLY A 9 -2.822 18.670 0.519 1.00 0.00 C ATOM 84 O GLY A 9 -1.969 19.243 1.194 1.00 0.00 O ATOM 0 H GLY A 9 -5.368 19.963 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.829 18.559 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.593 19.799 -1.285 1.00 0.00 H new ATOM 88 N GLY A 10 -3.293 17.463 0.822 1.00 0.00 N ATOM 89 CA GLY A 10 -2.812 16.751 1.990 1.00 0.00 C ATOM 90 C GLY A 10 -2.853 15.246 1.809 1.00 0.00 C ATOM 91 O GLY A 10 -2.676 14.743 0.700 1.00 0.00 O ATOM 0 H GLY A 10 -3.999 16.967 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.789 17.060 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.416 17.027 2.854 1.00 0.00 H new ATOM 95 N ALA A 11 -3.086 14.527 2.902 1.00 0.00 N ATOM 96 CA ALA A 11 -3.150 13.071 2.858 1.00 0.00 C ATOM 97 C ALA A 11 -4.423 12.598 2.165 1.00 0.00 C ATOM 98 O ALA A 11 -4.372 11.815 1.216 1.00 0.00 O ATOM 99 CB ALA A 11 -3.067 12.496 4.265 1.00 0.00 C ATOM 0 H ALA A 11 -3.233 14.928 3.828 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.298 12.712 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.116 11.408 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.126 12.797 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.899 12.871 4.861 1.00 0.00 H new ATOM 105 N HIS A 12 -5.566 13.077 2.647 1.00 0.00 N ATOM 106 CA HIS A 12 -6.853 12.702 2.073 1.00 0.00 C ATOM 107 C HIS A 12 -6.826 12.820 0.553 1.00 0.00 C ATOM 108 O HIS A 12 -7.343 11.957 -0.158 1.00 0.00 O ATOM 109 CB HIS A 12 -7.966 13.582 2.645 1.00 0.00 C ATOM 110 CG HIS A 12 -7.820 15.031 2.299 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.851 15.843 2.850 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.528 15.814 1.451 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.970 17.063 2.356 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.980 17.072 1.504 1.00 0.00 N ATOM 0 H HIS A 12 -5.627 13.725 3.433 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.050 11.663 2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.927 13.224 2.276 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.981 13.476 3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.368 15.506 0.845 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.347 17.909 2.606 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.300 17.881 0.972 1.00 0.00 H new ATOM 122 N LYS A 13 -6.221 13.894 0.059 1.00 0.00 N ATOM 123 CA LYS A 13 -6.125 14.128 -1.377 1.00 0.00 C ATOM 124 C LYS A 13 -5.417 12.967 -2.070 1.00 0.00 C ATOM 125 O LYS A 13 -5.787 12.574 -3.177 1.00 0.00 O ATOM 126 CB LYS A 13 -5.377 15.433 -1.655 1.00 0.00 C ATOM 127 CG LYS A 13 -6.198 16.678 -1.364 1.00 0.00 C ATOM 128 CD LYS A 13 -7.061 17.067 -2.553 1.00 0.00 C ATOM 129 CE LYS A 13 -8.315 16.210 -2.636 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.429 16.922 -3.320 1.00 0.00 N ATOM 0 H LYS A 13 -5.789 14.618 0.633 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.137 14.206 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.469 15.457 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.066 15.449 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.832 16.502 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.532 17.503 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.342 18.117 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.485 16.961 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.090 15.288 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.628 15.926 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.265 16.305 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.661 17.789 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.140 17.171 -4.288 1.00 0.00 H new ATOM 144 N VAL A 14 -4.400 12.422 -1.412 1.00 0.00 N ATOM 145 CA VAL A 14 -3.642 11.305 -1.963 1.00 0.00 C ATOM 146 C VAL A 14 -4.527 10.077 -2.142 1.00 0.00 C ATOM 147 O VAL A 14 -5.476 9.866 -1.386 1.00 0.00 O ATOM 148 CB VAL A 14 -2.448 10.938 -1.063 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.704 9.736 -1.626 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.514 12.128 -0.906 1.00 0.00 C ATOM 0 H VAL A 14 -4.081 12.736 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.268 11.625 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.827 10.671 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.863 9.491 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.380 8.883 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.335 9.971 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.676 11.851 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.140 12.429 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.056 12.959 -0.454 1.00 0.00 H new ATOM 160 N ARG A 15 -4.210 9.267 -3.148 1.00 0.00 N ATOM 161 CA ARG A 15 -4.976 8.058 -3.427 1.00 0.00 C ATOM 162 C ARG A 15 -4.055 6.912 -3.832 1.00 0.00 C ATOM 163 O ARG A 15 -3.011 7.129 -4.449 1.00 0.00 O ATOM 164 CB ARG A 15 -5.997 8.321 -4.534 1.00 0.00 C ATOM 165 CG ARG A 15 -6.998 9.414 -4.194 1.00 0.00 C ATOM 166 CD ARG A 15 -7.916 9.715 -5.368 1.00 0.00 C ATOM 167 NE ARG A 15 -8.656 10.960 -5.179 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.694 11.318 -5.925 1.00 0.00 C ATOM 169 NH1 ARG A 15 -10.115 10.529 -6.904 1.00 0.00 N ATOM 170 NH2 ARG A 15 -10.316 12.466 -5.691 1.00 0.00 N ATOM 0 H ARG A 15 -3.428 9.427 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.502 7.773 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.468 8.596 -5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.537 7.398 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.594 9.108 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.465 10.320 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.326 9.779 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.619 8.892 -5.499 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.359 11.589 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.641 9.644 -7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.913 10.807 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.997 13.075 -4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.113 12.740 -6.265 1.00 0.00 H new ATOM 184 N ALA A 16 -4.447 5.692 -3.480 1.00 0.00 N ATOM 185 CA ALA A 16 -3.657 4.511 -3.808 1.00 0.00 C ATOM 186 C ALA A 16 -4.556 3.327 -4.149 1.00 0.00 C ATOM 187 O ALA A 16 -5.433 2.956 -3.369 1.00 0.00 O ATOM 188 CB ALA A 16 -2.731 4.158 -2.653 1.00 0.00 C ATOM 0 H ALA A 16 -5.307 5.495 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.053 4.740 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.147 3.275 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.058 4.993 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.323 3.953 -1.761 1.00 0.00 H new ATOM 194 N GLY A 17 -4.332 2.738 -5.319 1.00 0.00 N ATOM 195 CA GLY A 17 -5.130 1.602 -5.742 1.00 0.00 C ATOM 196 C GLY A 17 -4.632 0.994 -7.039 1.00 0.00 C ATOM 197 O GLY A 17 -4.138 1.702 -7.914 1.00 0.00 O ATOM 0 H GLY A 17 -3.612 3.027 -5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.118 0.842 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.166 1.916 -5.866 1.00 0.00 H new ATOM 201 N GLY A 18 -4.762 -0.324 -7.161 1.00 0.00 N ATOM 202 CA GLY A 18 -4.315 -1.004 -8.362 1.00 0.00 C ATOM 203 C GLY A 18 -3.853 -2.422 -8.088 1.00 0.00 C ATOM 204 O GLY A 18 -4.209 -3.029 -7.078 1.00 0.00 O ATOM 0 H GLY A 18 -5.169 -0.932 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.128 -1.024 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.498 -0.440 -8.813 1.00 0.00 H new ATOM 208 N PRO A 19 -3.041 -2.972 -9.003 1.00 0.00 N ATOM 209 CA PRO A 19 -2.514 -4.333 -8.878 1.00 0.00 C ATOM 210 C PRO A 19 -1.491 -4.457 -7.753 1.00 0.00 C ATOM 211 O PRO A 19 -0.543 -3.677 -7.674 1.00 0.00 O ATOM 212 CB PRO A 19 -1.850 -4.584 -10.234 1.00 0.00 C ATOM 213 CG PRO A 19 -1.503 -3.227 -10.742 1.00 0.00 C ATOM 214 CD PRO A 19 -2.576 -2.306 -10.232 1.00 0.00 C ATOM 0 HA PRO A 19 -3.296 -5.051 -8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.962 -5.207 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.525 -5.101 -10.916 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.521 -2.917 -10.386 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.465 -3.216 -11.831 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.186 -1.309 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.383 -2.189 -10.956 1.00 0.00 H new ATOM 222 N GLY A 20 -1.689 -5.444 -6.885 1.00 0.00 N ATOM 223 CA GLY A 20 -0.776 -5.652 -5.777 1.00 0.00 C ATOM 224 C GLY A 20 -1.463 -5.543 -4.430 1.00 0.00 C ATOM 225 O GLY A 20 -1.289 -6.401 -3.564 1.00 0.00 O ATOM 0 H GLY A 20 -2.466 -6.104 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.317 -6.636 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.029 -4.919 -5.831 1.00 0.00 H new ATOM 229 N LEU A 21 -2.244 -4.484 -4.251 1.00 0.00 N ATOM 230 CA LEU A 21 -2.960 -4.264 -2.999 1.00 0.00 C ATOM 231 C LEU A 21 -4.221 -5.120 -2.934 1.00 0.00 C ATOM 232 O LEU A 21 -4.609 -5.590 -1.865 1.00 0.00 O ATOM 233 CB LEU A 21 -3.326 -2.786 -2.850 1.00 0.00 C ATOM 234 CG LEU A 21 -2.152 -1.812 -2.747 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.636 -0.376 -2.887 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.415 -2.001 -1.430 1.00 0.00 C ATOM 0 H LEU A 21 -2.398 -3.764 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.303 -4.554 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.939 -2.496 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.945 -2.673 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.459 -2.022 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.787 0.303 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.118 -0.247 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.350 -0.154 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.583 -1.299 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.099 -1.819 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.034 -3.021 -1.369 1.00 0.00 H new ATOM 248 N GLU A 22 -4.854 -5.320 -4.086 1.00 0.00 N ATOM 249 CA GLU A 22 -6.069 -6.123 -4.159 1.00 0.00 C ATOM 250 C GLU A 22 -5.860 -7.488 -3.511 1.00 0.00 C ATOM 251 O GLU A 22 -6.716 -7.972 -2.769 1.00 0.00 O ATOM 252 CB GLU A 22 -6.504 -6.298 -5.616 1.00 0.00 C ATOM 253 CG GLU A 22 -5.381 -6.746 -6.536 1.00 0.00 C ATOM 254 CD GLU A 22 -5.277 -8.255 -6.638 1.00 0.00 C ATOM 255 OE1 GLU A 22 -6.309 -8.934 -6.452 1.00 0.00 O ATOM 256 OE2 GLU A 22 -4.165 -8.757 -6.903 1.00 0.00 O ATOM 0 H GLU A 22 -4.546 -4.938 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.854 -5.599 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.312 -7.028 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.908 -5.354 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.542 -6.329 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.436 -6.344 -6.171 1.00 0.00 H new ATOM 263 N ARG A 23 -4.719 -8.104 -3.798 1.00 0.00 N ATOM 264 CA ARG A 23 -4.397 -9.414 -3.245 1.00 0.00 C ATOM 265 C ARG A 23 -2.924 -9.749 -3.459 1.00 0.00 C ATOM 266 O ARG A 23 -2.310 -9.303 -4.427 1.00 0.00 O ATOM 267 CB ARG A 23 -5.274 -10.492 -3.888 1.00 0.00 C ATOM 268 CG ARG A 23 -5.562 -11.669 -2.972 1.00 0.00 C ATOM 269 CD ARG A 23 -6.014 -12.889 -3.759 1.00 0.00 C ATOM 270 NE ARG A 23 -4.898 -13.558 -4.422 1.00 0.00 N ATOM 271 CZ ARG A 23 -5.029 -14.670 -5.138 1.00 0.00 C ATOM 272 NH1 ARG A 23 -6.220 -15.233 -5.283 1.00 0.00 N ATOM 273 NH2 ARG A 23 -3.966 -15.219 -5.711 1.00 0.00 N ATOM 0 H ARG A 23 -4.001 -7.717 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.593 -9.385 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.218 -10.044 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.784 -10.857 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.667 -11.914 -2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.333 -11.392 -2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.509 -13.590 -3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.750 -12.587 -4.504 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.968 -13.150 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.039 -14.813 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.317 -16.086 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.048 -14.788 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.067 -16.072 -6.260 1.00 0.00 H new ATOM 287 N GLY A 24 -2.362 -10.536 -2.546 1.00 0.00 N ATOM 288 CA GLY A 24 -0.965 -10.915 -2.653 1.00 0.00 C ATOM 289 C GLY A 24 -0.766 -12.416 -2.588 1.00 0.00 C ATOM 290 O GLY A 24 -1.723 -13.168 -2.409 1.00 0.00 O ATOM 0 H GLY A 24 -2.849 -10.917 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.560 -10.538 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.401 -10.441 -1.850 1.00 0.00 H new ATOM 294 N GLU A 25 0.481 -12.853 -2.735 1.00 0.00 N ATOM 295 CA GLU A 25 0.801 -14.276 -2.694 1.00 0.00 C ATOM 296 C GLU A 25 2.109 -14.517 -1.946 1.00 0.00 C ATOM 297 O GLU A 25 3.169 -14.049 -2.361 1.00 0.00 O ATOM 298 CB GLU A 25 0.900 -14.840 -4.113 1.00 0.00 C ATOM 299 CG GLU A 25 -0.432 -15.304 -4.677 1.00 0.00 C ATOM 300 CD GLU A 25 -0.504 -15.171 -6.186 1.00 0.00 C ATOM 301 OE1 GLU A 25 0.089 -14.215 -6.728 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.155 -16.024 -6.826 1.00 0.00 O ATOM 0 H GLU A 25 1.285 -12.243 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.001 -14.788 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.317 -14.077 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.597 -15.678 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.597 -16.345 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.236 -14.722 -4.226 1.00 0.00 H new ATOM 309 N ALA A 26 2.026 -15.251 -0.841 1.00 0.00 N ATOM 310 CA ALA A 26 3.202 -15.557 -0.037 1.00 0.00 C ATOM 311 C ALA A 26 4.331 -16.107 -0.902 1.00 0.00 C ATOM 312 O ALA A 26 4.164 -17.108 -1.595 1.00 0.00 O ATOM 313 CB ALA A 26 2.847 -16.547 1.063 1.00 0.00 C ATOM 0 H ALA A 26 1.156 -15.645 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 26 3.549 -14.631 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.735 -16.766 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.079 -16.117 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.472 -17.468 0.617 1.00 0.00 H new ATOM 319 N GLY A 27 5.483 -15.443 -0.854 1.00 0.00 N ATOM 320 CA GLY A 27 6.623 -15.880 -1.639 1.00 0.00 C ATOM 321 C GLY A 27 6.795 -15.074 -2.911 1.00 0.00 C ATOM 322 O GLY A 27 7.902 -14.958 -3.437 1.00 0.00 O ATOM 0 H GLY A 27 5.646 -14.612 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.528 -15.799 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.503 -16.933 -1.893 1.00 0.00 H new ATOM 326 N VAL A 28 5.696 -14.516 -3.409 1.00 0.00 N ATOM 327 CA VAL A 28 5.729 -13.718 -4.629 1.00 0.00 C ATOM 328 C VAL A 28 5.742 -12.227 -4.309 1.00 0.00 C ATOM 329 O VAL A 28 5.001 -11.744 -3.453 1.00 0.00 O ATOM 330 CB VAL A 28 4.522 -14.027 -5.535 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.577 -13.187 -6.802 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.475 -15.510 -5.871 1.00 0.00 C ATOM 0 H VAL A 28 4.772 -14.602 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 28 6.646 -13.982 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 28 3.610 -13.770 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.717 -13.419 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.560 -12.129 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.494 -13.410 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.616 -15.711 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.390 -15.794 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.385 -16.089 -4.952 1.00 0.00 H new ATOM 342 N PRO A 29 6.602 -11.478 -5.013 1.00 0.00 N ATOM 343 CA PRO A 29 6.732 -10.031 -4.823 1.00 0.00 C ATOM 344 C PRO A 29 5.509 -9.268 -5.323 1.00 0.00 C ATOM 345 O PRO A 29 5.272 -9.179 -6.526 1.00 0.00 O ATOM 346 CB PRO A 29 7.964 -9.672 -5.658 1.00 0.00 C ATOM 347 CG PRO A 29 8.038 -10.735 -6.699 1.00 0.00 C ATOM 348 CD PRO A 29 7.516 -11.987 -6.050 1.00 0.00 C ATOM 0 HA PRO A 29 6.822 -9.765 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.864 -8.684 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.866 -9.654 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.441 -10.469 -7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.063 -10.872 -7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.997 -12.624 -6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.321 -12.582 -5.619 1.00 0.00 H new ATOM 356 N ALA A 30 4.737 -8.721 -4.389 1.00 0.00 N ATOM 357 CA ALA A 30 3.541 -7.964 -4.735 1.00 0.00 C ATOM 358 C ALA A 30 3.788 -6.464 -4.620 1.00 0.00 C ATOM 359 O ALA A 30 3.779 -5.907 -3.523 1.00 0.00 O ATOM 360 CB ALA A 30 2.378 -8.379 -3.846 1.00 0.00 C ATOM 0 H ALA A 30 4.919 -8.788 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 30 3.288 -8.185 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.491 -7.805 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.178 -9.442 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.631 -8.187 -2.803 1.00 0.00 H new ATOM 366 N GLU A 31 4.008 -5.816 -5.760 1.00 0.00 N ATOM 367 CA GLU A 31 4.258 -4.380 -5.786 1.00 0.00 C ATOM 368 C GLU A 31 3.126 -3.642 -6.492 1.00 0.00 C ATOM 369 O GLU A 31 2.612 -4.101 -7.512 1.00 0.00 O ATOM 370 CB GLU A 31 5.588 -4.084 -6.485 1.00 0.00 C ATOM 371 CG GLU A 31 5.590 -4.436 -7.962 1.00 0.00 C ATOM 372 CD GLU A 31 6.788 -3.866 -8.697 1.00 0.00 C ATOM 373 OE1 GLU A 31 7.877 -3.794 -8.087 1.00 0.00 O ATOM 374 OE2 GLU A 31 6.638 -3.491 -9.878 1.00 0.00 O ATOM 0 H GLU A 31 4.018 -6.263 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 31 4.310 -4.028 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.820 -3.025 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.382 -4.640 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.583 -5.520 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.675 -4.062 -8.422 1.00 0.00 H new ATOM 381 N PHE A 32 2.739 -2.496 -5.941 1.00 0.00 N ATOM 382 CA PHE A 32 1.665 -1.695 -6.516 1.00 0.00 C ATOM 383 C PHE A 32 2.182 -0.327 -6.954 1.00 0.00 C ATOM 384 O PHE A 32 3.187 0.163 -6.438 1.00 0.00 O ATOM 385 CB PHE A 32 0.529 -1.524 -5.504 1.00 0.00 C ATOM 386 CG PHE A 32 1.007 -1.349 -4.091 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.527 -2.422 -3.384 1.00 0.00 C ATOM 388 CD2 PHE A 32 0.935 -0.114 -3.470 1.00 0.00 C ATOM 389 CE1 PHE A 32 1.966 -2.265 -2.084 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.373 0.050 -2.168 1.00 0.00 C ATOM 391 CZ PHE A 32 1.891 -1.027 -1.475 1.00 0.00 C ATOM 0 H PHE A 32 3.154 -2.101 -5.097 1.00 0.00 H new ATOM 0 HA PHE A 32 1.285 -2.218 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.071 -0.659 -5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.125 -2.395 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.590 -3.392 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.532 0.731 -4.008 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.368 -3.109 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.310 1.018 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.237 -0.902 -0.459 1.00 0.00 H new ATOM 401 N SER A 33 1.486 0.284 -7.907 1.00 0.00 N ATOM 402 CA SER A 33 1.876 1.593 -8.418 1.00 0.00 C ATOM 403 C SER A 33 1.207 2.708 -7.620 1.00 0.00 C ATOM 404 O SER A 33 -0.013 2.869 -7.662 1.00 0.00 O ATOM 405 CB SER A 33 1.509 1.717 -9.898 1.00 0.00 C ATOM 406 OG SER A 33 2.256 0.806 -10.686 1.00 0.00 O ATOM 0 H SER A 33 0.649 -0.106 -8.341 1.00 0.00 H new ATOM 0 HA SER A 33 2.956 1.691 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.444 1.528 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.696 2.736 -10.238 1.00 0.00 H new ATOM 0 HG SER A 33 2.002 0.903 -11.628 1.00 0.00 H new ATOM 412 N ILE A 34 2.013 3.477 -6.896 1.00 0.00 N ATOM 413 CA ILE A 34 1.500 4.577 -6.090 1.00 0.00 C ATOM 414 C ILE A 34 1.728 5.917 -6.782 1.00 0.00 C ATOM 415 O ILE A 34 2.866 6.306 -7.044 1.00 0.00 O ATOM 416 CB ILE A 34 2.159 4.611 -4.698 1.00 0.00 C ATOM 417 CG1 ILE A 34 2.058 3.240 -4.029 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.510 5.680 -3.831 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.113 3.005 -2.971 1.00 0.00 C ATOM 0 H ILE A 34 3.025 3.358 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 34 0.430 4.409 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 34 3.214 4.859 -4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.072 3.137 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.141 2.466 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.986 5.692 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.630 6.655 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.449 5.460 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.981 2.013 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.103 3.075 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.017 3.757 -2.188 1.00 0.00 H new ATOM 431 N TRP A 35 0.637 6.619 -7.073 1.00 0.00 N ATOM 432 CA TRP A 35 0.719 7.918 -7.732 1.00 0.00 C ATOM 433 C TRP A 35 -0.062 8.972 -6.956 1.00 0.00 C ATOM 434 O TRP A 35 -1.249 8.797 -6.673 1.00 0.00 O ATOM 435 CB TRP A 35 0.187 7.819 -9.163 1.00 0.00 C ATOM 436 CG TRP A 35 -1.311 7.833 -9.241 1.00 0.00 C ATOM 437 CD1 TRP A 35 -2.107 8.908 -9.518 1.00 0.00 C ATOM 438 CD2 TRP A 35 -2.189 6.721 -9.040 1.00 0.00 C ATOM 439 NE1 TRP A 35 -3.428 8.530 -9.500 1.00 0.00 N ATOM 440 CE2 TRP A 35 -3.505 7.194 -9.210 1.00 0.00 C ATOM 441 CE3 TRP A 35 -1.993 5.371 -8.734 1.00 0.00 C ATOM 442 CZ2 TRP A 35 -4.616 6.364 -9.083 1.00 0.00 C ATOM 443 CZ3 TRP A 35 -3.096 4.550 -8.608 1.00 0.00 C ATOM 444 CH2 TRP A 35 -4.395 5.048 -8.784 1.00 0.00 C ATOM 0 H TRP A 35 -0.312 6.311 -6.863 1.00 0.00 H new ATOM 0 HA TRP A 35 1.766 8.219 -7.761 1.00 0.00 H new ATOM 0 HB2 TRP A 35 0.582 8.649 -9.748 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.559 6.902 -9.619 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.751 9.907 -9.721 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.223 9.145 -9.674 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.996 4.977 -8.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.617 6.746 -9.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.956 3.506 -8.370 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.237 4.379 -8.681 1.00 0.00 H new ATOM 455 N THR A 36 0.608 10.067 -6.615 1.00 0.00 N ATOM 456 CA THR A 36 -0.024 11.149 -5.870 1.00 0.00 C ATOM 457 C THR A 36 0.231 12.497 -6.537 1.00 0.00 C ATOM 458 O THR A 36 1.264 13.126 -6.309 1.00 0.00 O ATOM 459 CB THR A 36 0.484 11.203 -4.417 1.00 0.00 C ATOM 460 OG1 THR A 36 -0.183 12.251 -3.704 1.00 0.00 O ATOM 461 CG2 THR A 36 1.988 11.434 -4.379 1.00 0.00 C ATOM 0 H THR A 36 1.589 10.229 -6.843 1.00 0.00 H new ATOM 0 HA THR A 36 -1.095 10.946 -5.864 1.00 0.00 H new ATOM 0 HB THR A 36 0.267 10.246 -3.943 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.461 12.719 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.325 11.469 -3.343 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.494 10.620 -4.898 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.223 12.379 -4.869 1.00 0.00 H new ATOM 469 N ARG A 37 -0.717 12.934 -7.360 1.00 0.00 N ATOM 470 CA ARG A 37 -0.594 14.207 -8.059 1.00 0.00 C ATOM 471 C ARG A 37 -1.021 15.364 -7.161 1.00 0.00 C ATOM 472 O ARG A 37 -0.195 16.176 -6.745 1.00 0.00 O ATOM 473 CB ARG A 37 -1.441 14.197 -9.333 1.00 0.00 C ATOM 474 CG ARG A 37 -0.807 13.425 -10.479 1.00 0.00 C ATOM 475 CD ARG A 37 -1.834 13.060 -11.539 1.00 0.00 C ATOM 476 NE ARG A 37 -1.238 12.968 -12.870 1.00 0.00 N ATOM 477 CZ ARG A 37 -0.780 14.018 -13.543 1.00 0.00 C ATOM 478 NH1 ARG A 37 -0.847 15.231 -13.013 1.00 0.00 N ATOM 479 NH2 ARG A 37 -0.251 13.854 -14.749 1.00 0.00 N ATOM 0 H ARG A 37 -1.578 12.425 -7.559 1.00 0.00 H new ATOM 0 HA ARG A 37 0.453 14.346 -8.328 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.415 13.763 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.616 15.225 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.015 14.024 -10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.341 12.518 -10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.297 12.107 -11.282 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.627 13.808 -11.548 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.170 12.048 -13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.251 15.361 -12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.494 16.035 -13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.196 12.922 -15.159 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.101 14.660 -15.266 1.00 0.00 H new ATOM 493 N GLU A 38 -2.316 15.432 -6.866 1.00 0.00 N ATOM 494 CA GLU A 38 -2.851 16.491 -6.020 1.00 0.00 C ATOM 495 C GLU A 38 -2.316 16.371 -4.596 1.00 0.00 C ATOM 496 O GLU A 38 -2.978 15.823 -3.715 1.00 0.00 O ATOM 497 CB GLU A 38 -4.380 16.440 -6.006 1.00 0.00 C ATOM 498 CG GLU A 38 -5.027 17.267 -7.105 1.00 0.00 C ATOM 499 CD GLU A 38 -6.521 17.431 -6.910 1.00 0.00 C ATOM 500 OE1 GLU A 38 -7.147 16.520 -6.330 1.00 0.00 O ATOM 501 OE2 GLU A 38 -7.064 18.471 -7.337 1.00 0.00 O ATOM 0 H GLU A 38 -3.013 14.766 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.530 17.447 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.701 15.403 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.738 16.793 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.559 18.251 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.840 16.793 -8.069 1.00 0.00 H new ATOM 508 N ALA A 39 -1.111 16.889 -4.378 1.00 0.00 N ATOM 509 CA ALA A 39 -0.486 16.842 -3.061 1.00 0.00 C ATOM 510 C ALA A 39 0.748 17.735 -3.008 1.00 0.00 C ATOM 511 O ALA A 39 1.285 18.131 -4.041 1.00 0.00 O ATOM 512 CB ALA A 39 -0.121 15.410 -2.701 1.00 0.00 C ATOM 0 H ALA A 39 -0.549 17.346 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.204 17.216 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.345 15.390 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.022 14.797 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.577 15.016 -3.440 1.00 0.00 H new ATOM 518 N GLY A 40 1.194 18.049 -1.795 1.00 0.00 N ATOM 519 CA GLY A 40 2.362 18.895 -1.629 1.00 0.00 C ATOM 520 C GLY A 40 3.659 18.111 -1.697 1.00 0.00 C ATOM 521 O GLY A 40 3.691 16.996 -2.214 1.00 0.00 O ATOM 0 H GLY A 40 0.767 17.733 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.364 19.663 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.301 19.409 -0.670 1.00 0.00 H new ATOM 525 N ALA A 41 4.730 18.699 -1.174 1.00 0.00 N ATOM 526 CA ALA A 41 6.034 18.048 -1.177 1.00 0.00 C ATOM 527 C ALA A 41 6.200 17.143 0.038 1.00 0.00 C ATOM 528 O ALA A 41 7.301 16.988 0.565 1.00 0.00 O ATOM 529 CB ALA A 41 7.144 19.090 -1.216 1.00 0.00 C ATOM 0 H ALA A 41 4.720 19.624 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 41 6.100 17.428 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.113 18.590 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.045 19.693 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.070 19.734 -0.340 1.00 0.00 H new ATOM 535 N GLY A 42 5.097 16.547 0.481 1.00 0.00 N ATOM 536 CA GLY A 42 5.141 15.665 1.632 1.00 0.00 C ATOM 537 C GLY A 42 5.972 14.423 1.380 1.00 0.00 C ATOM 538 O GLY A 42 6.653 14.320 0.360 1.00 0.00 O ATOM 0 H GLY A 42 4.174 16.660 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.551 16.206 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.126 15.371 1.899 1.00 0.00 H new ATOM 542 N GLY A 43 5.917 13.476 2.313 1.00 0.00 N ATOM 543 CA GLY A 43 6.677 12.248 2.167 1.00 0.00 C ATOM 544 C GLY A 43 5.805 11.013 2.256 1.00 0.00 C ATOM 545 O GLY A 43 4.586 11.114 2.409 1.00 0.00 O ATOM 0 H GLY A 43 5.361 13.538 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.193 12.256 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.443 12.204 2.941 1.00 0.00 H new ATOM 549 N LEU A 44 6.425 9.842 2.155 1.00 0.00 N ATOM 550 CA LEU A 44 5.696 8.581 2.223 1.00 0.00 C ATOM 551 C LEU A 44 6.393 7.600 3.161 1.00 0.00 C ATOM 552 O LEU A 44 7.619 7.503 3.175 1.00 0.00 O ATOM 553 CB LEU A 44 5.569 7.967 0.827 1.00 0.00 C ATOM 554 CG LEU A 44 4.353 8.406 0.011 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.514 8.001 -1.447 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.078 7.813 0.592 1.00 0.00 C ATOM 0 H LEU A 44 7.432 9.740 2.026 1.00 0.00 H new ATOM 0 HA LEU A 44 4.700 8.785 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.468 8.210 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.541 6.882 0.930 1.00 0.00 H new ATOM 0 HG LEU A 44 4.280 9.492 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.639 8.322 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.406 8.473 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.613 6.918 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.223 8.136 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.142 6.725 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.955 8.152 1.620 1.00 0.00 H new ATOM 568 N SER A 45 5.600 6.871 3.940 1.00 0.00 N ATOM 569 CA SER A 45 6.140 5.897 4.882 1.00 0.00 C ATOM 570 C SER A 45 5.364 4.585 4.811 1.00 0.00 C ATOM 571 O SER A 45 4.204 4.515 5.218 1.00 0.00 O ATOM 572 CB SER A 45 6.094 6.454 6.306 1.00 0.00 C ATOM 573 OG SER A 45 7.137 7.388 6.522 1.00 0.00 O ATOM 0 H SER A 45 4.582 6.936 3.938 1.00 0.00 H new ATOM 0 HA SER A 45 7.177 5.701 4.610 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.131 6.933 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.179 5.637 7.022 1.00 0.00 H new ATOM 0 HG SER A 45 7.085 7.731 7.439 1.00 0.00 H new ATOM 579 N ILE A 46 6.014 3.549 4.293 1.00 0.00 N ATOM 580 CA ILE A 46 5.386 2.239 4.169 1.00 0.00 C ATOM 581 C ILE A 46 5.946 1.262 5.198 1.00 0.00 C ATOM 582 O ILE A 46 7.150 1.233 5.451 1.00 0.00 O ATOM 583 CB ILE A 46 5.585 1.649 2.760 1.00 0.00 C ATOM 584 CG1 ILE A 46 5.057 2.620 1.700 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.888 0.302 2.646 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.571 2.330 0.307 1.00 0.00 C ATOM 0 H ILE A 46 6.975 3.591 3.952 1.00 0.00 H new ATOM 0 HA ILE A 46 4.320 2.383 4.347 1.00 0.00 H new ATOM 0 HB ILE A 46 6.651 1.499 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.968 2.580 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.337 3.636 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.038 -0.102 1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.305 -0.387 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.821 0.428 2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.157 3.056 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.659 2.398 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.268 1.326 0.009 1.00 0.00 H new ATOM 598 N ALA A 47 5.062 0.464 5.789 1.00 0.00 N ATOM 599 CA ALA A 47 5.468 -0.517 6.789 1.00 0.00 C ATOM 600 C ALA A 47 4.531 -1.721 6.787 1.00 0.00 C ATOM 601 O ALA A 47 3.376 -1.621 7.199 1.00 0.00 O ATOM 602 CB ALA A 47 5.509 0.122 8.169 1.00 0.00 C ATOM 0 H ALA A 47 4.061 0.478 5.593 1.00 0.00 H new ATOM 0 HA ALA A 47 6.468 -0.868 6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.813 -0.622 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.224 0.945 8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.519 0.501 8.424 1.00 0.00 H new ATOM 608 N VAL A 48 5.038 -2.858 6.322 1.00 0.00 N ATOM 609 CA VAL A 48 4.246 -4.082 6.268 1.00 0.00 C ATOM 610 C VAL A 48 4.328 -4.847 7.585 1.00 0.00 C ATOM 611 O VAL A 48 5.411 -5.225 8.027 1.00 0.00 O ATOM 612 CB VAL A 48 4.711 -5.000 5.123 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.900 -6.287 5.108 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.609 -4.280 3.788 1.00 0.00 C ATOM 0 H VAL A 48 5.993 -2.958 5.977 1.00 0.00 H new ATOM 0 HA VAL A 48 3.213 -3.784 6.088 1.00 0.00 H new ATOM 0 HB VAL A 48 5.756 -5.259 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.243 -6.923 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.030 -6.810 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.845 -6.051 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.942 -4.944 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.574 -3.989 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.238 -3.390 3.806 1.00 0.00 H new ATOM 624 N GLU A 49 3.173 -5.072 8.204 1.00 0.00 N ATOM 625 CA GLU A 49 3.115 -5.793 9.470 1.00 0.00 C ATOM 626 C GLU A 49 2.094 -6.925 9.405 1.00 0.00 C ATOM 627 O GLU A 49 0.936 -6.713 9.046 1.00 0.00 O ATOM 628 CB GLU A 49 2.759 -4.837 10.611 1.00 0.00 C ATOM 629 CG GLU A 49 3.771 -3.719 10.805 1.00 0.00 C ATOM 630 CD GLU A 49 3.175 -2.506 11.493 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.668 -2.653 12.624 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.215 -1.408 10.898 1.00 0.00 O ATOM 0 H GLU A 49 2.267 -4.766 7.850 1.00 0.00 H new ATOM 0 HA GLU A 49 4.098 -6.223 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.780 -4.400 10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.675 -5.405 11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.609 -4.091 11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.170 -3.423 9.835 1.00 0.00 H new ATOM 639 N GLY A 50 2.533 -8.131 9.755 1.00 0.00 N ATOM 640 CA GLY A 50 1.646 -9.279 9.729 1.00 0.00 C ATOM 641 C GLY A 50 2.081 -10.370 10.688 1.00 0.00 C ATOM 642 O GLY A 50 2.814 -10.126 11.647 1.00 0.00 O ATOM 0 H GLY A 50 3.487 -8.333 10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.635 -8.959 9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.609 -9.683 8.717 1.00 0.00 H new ATOM 646 N PRO A 51 1.623 -11.604 10.434 1.00 0.00 N ATOM 647 CA PRO A 51 1.955 -12.760 11.273 1.00 0.00 C ATOM 648 C PRO A 51 3.418 -13.169 11.142 1.00 0.00 C ATOM 649 O PRO A 51 3.961 -13.853 12.010 1.00 0.00 O ATOM 650 CB PRO A 51 1.040 -13.863 10.735 1.00 0.00 C ATOM 651 CG PRO A 51 0.762 -13.471 9.325 1.00 0.00 C ATOM 652 CD PRO A 51 0.745 -11.966 9.309 1.00 0.00 C ATOM 0 HA PRO A 51 1.813 -12.549 12.333 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.523 -14.839 10.787 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.120 -13.932 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.528 -13.860 8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.192 -13.876 8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.118 -11.570 8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.263 -11.574 9.443 1.00 0.00 H new ATOM 660 N SER A 52 4.050 -12.748 10.051 1.00 0.00 N ATOM 661 CA SER A 52 5.450 -13.074 9.804 1.00 0.00 C ATOM 662 C SER A 52 6.195 -11.873 9.230 1.00 0.00 C ATOM 663 O SER A 52 5.583 -10.884 8.823 1.00 0.00 O ATOM 664 CB SER A 52 5.557 -14.261 8.846 1.00 0.00 C ATOM 665 OG SER A 52 5.056 -15.445 9.441 1.00 0.00 O ATOM 0 H SER A 52 3.615 -12.180 9.324 1.00 0.00 H new ATOM 0 HA SER A 52 5.909 -13.342 10.756 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.002 -14.046 7.933 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.598 -14.407 8.559 1.00 0.00 H new ATOM 0 HG SER A 52 5.411 -16.225 8.966 1.00 0.00 H new ATOM 671 N LYS A 53 7.520 -11.965 9.201 1.00 0.00 N ATOM 672 CA LYS A 53 8.351 -10.888 8.676 1.00 0.00 C ATOM 673 C LYS A 53 8.256 -10.820 7.155 1.00 0.00 C ATOM 674 O LYS A 53 8.310 -11.843 6.474 1.00 0.00 O ATOM 675 CB LYS A 53 9.808 -11.090 9.097 1.00 0.00 C ATOM 676 CG LYS A 53 10.620 -9.806 9.112 1.00 0.00 C ATOM 677 CD LYS A 53 12.028 -10.042 9.633 1.00 0.00 C ATOM 678 CE LYS A 53 12.065 -10.049 11.154 1.00 0.00 C ATOM 679 NZ LYS A 53 11.739 -11.392 11.709 1.00 0.00 N ATOM 0 H LYS A 53 8.042 -12.775 9.535 1.00 0.00 H new ATOM 0 HA LYS A 53 7.986 -9.947 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.832 -11.537 10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.279 -11.800 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.668 -9.393 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.120 -9.065 9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.403 -10.993 9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.692 -9.265 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.055 -9.745 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.357 -9.315 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.801 -11.364 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.735 -12.093 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.453 -11.658 12.417 1.00 0.00 H new ATOM 693 N ALA A 54 8.115 -9.607 6.630 1.00 0.00 N ATOM 694 CA ALA A 54 8.016 -9.405 5.190 1.00 0.00 C ATOM 695 C ALA A 54 9.125 -8.488 4.687 1.00 0.00 C ATOM 696 O ALA A 54 9.496 -7.523 5.355 1.00 0.00 O ATOM 697 CB ALA A 54 6.652 -8.834 4.829 1.00 0.00 C ATOM 0 H ALA A 54 8.067 -8.750 7.181 1.00 0.00 H new ATOM 0 HA ALA A 54 8.132 -10.374 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.592 -8.688 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.872 -9.527 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.513 -7.877 5.333 1.00 0.00 H new ATOM 703 N GLU A 55 9.652 -8.795 3.505 1.00 0.00 N ATOM 704 CA GLU A 55 10.720 -7.999 2.915 1.00 0.00 C ATOM 705 C GLU A 55 10.153 -6.794 2.170 1.00 0.00 C ATOM 706 O GLU A 55 9.043 -6.846 1.638 1.00 0.00 O ATOM 707 CB GLU A 55 11.556 -8.853 1.960 1.00 0.00 C ATOM 708 CG GLU A 55 12.967 -8.328 1.748 1.00 0.00 C ATOM 709 CD GLU A 55 13.924 -9.403 1.272 1.00 0.00 C ATOM 710 OE1 GLU A 55 14.258 -10.299 2.074 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.339 -9.347 0.095 1.00 0.00 O ATOM 0 H GLU A 55 9.356 -9.590 2.938 1.00 0.00 H new ATOM 0 HA GLU A 55 11.357 -7.639 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.611 -9.870 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.049 -8.907 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.944 -7.519 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.337 -7.905 2.682 1.00 0.00 H new ATOM 718 N ILE A 56 10.921 -5.709 2.139 1.00 0.00 N ATOM 719 CA ILE A 56 10.495 -4.492 1.461 1.00 0.00 C ATOM 720 C ILE A 56 11.642 -3.875 0.667 1.00 0.00 C ATOM 721 O ILE A 56 12.729 -3.650 1.198 1.00 0.00 O ATOM 722 CB ILE A 56 9.958 -3.449 2.459 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.733 -3.999 3.194 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.614 -2.154 1.740 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.380 -3.224 4.443 1.00 0.00 C ATOM 0 H ILE A 56 11.841 -5.649 2.576 1.00 0.00 H new ATOM 0 HA ILE A 56 9.694 -4.776 0.778 1.00 0.00 H new ATOM 0 HB ILE A 56 10.735 -3.237 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.879 -3.990 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.917 -5.040 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.236 -1.428 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.508 -1.757 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.851 -2.348 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.503 -3.670 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.218 -3.254 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.164 -2.188 4.180 1.00 0.00 H new ATOM 737 N THR A 57 11.391 -3.601 -0.610 1.00 0.00 N ATOM 738 CA THR A 57 12.402 -3.009 -1.478 1.00 0.00 C ATOM 739 C THR A 57 11.922 -1.682 -2.055 1.00 0.00 C ATOM 740 O THR A 57 10.947 -1.637 -2.805 1.00 0.00 O ATOM 741 CB THR A 57 12.772 -3.956 -2.635 1.00 0.00 C ATOM 742 OG1 THR A 57 13.189 -5.224 -2.116 1.00 0.00 O ATOM 743 CG2 THR A 57 13.883 -3.360 -3.485 1.00 0.00 C ATOM 0 H THR A 57 10.496 -3.780 -1.066 1.00 0.00 H new ATOM 0 HA THR A 57 13.285 -2.836 -0.863 1.00 0.00 H new ATOM 0 HB THR A 57 11.890 -4.093 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.421 -5.821 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.128 -4.046 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.552 -2.409 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.766 -3.198 -2.867 1.00 0.00 H new ATOM 751 N PHE A 58 12.614 -0.604 -1.700 1.00 0.00 N ATOM 752 CA PHE A 58 12.257 0.725 -2.184 1.00 0.00 C ATOM 753 C PHE A 58 13.257 1.209 -3.229 1.00 0.00 C ATOM 754 O PHE A 58 14.308 1.755 -2.893 1.00 0.00 O ATOM 755 CB PHE A 58 12.200 1.716 -1.019 1.00 0.00 C ATOM 756 CG PHE A 58 11.302 2.892 -1.277 1.00 0.00 C ATOM 757 CD1 PHE A 58 9.951 2.709 -1.523 1.00 0.00 C ATOM 758 CD2 PHE A 58 11.810 4.181 -1.275 1.00 0.00 C ATOM 759 CE1 PHE A 58 9.123 3.791 -1.761 1.00 0.00 C ATOM 760 CE2 PHE A 58 10.987 5.266 -1.511 1.00 0.00 C ATOM 761 CZ PHE A 58 9.642 5.070 -1.756 1.00 0.00 C ATOM 0 H PHE A 58 13.424 -0.624 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 58 11.273 0.664 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.856 1.195 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.207 2.077 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.540 1.710 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.862 4.340 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.071 3.635 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.395 6.266 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.997 5.916 -1.943 1.00 0.00 H new ATOM 771 N ASP A 59 12.923 1.005 -4.499 1.00 0.00 N ATOM 772 CA ASP A 59 13.789 1.421 -5.595 1.00 0.00 C ATOM 773 C ASP A 59 13.459 2.842 -6.040 1.00 0.00 C ATOM 774 O ASP A 59 12.445 3.077 -6.697 1.00 0.00 O ATOM 775 CB ASP A 59 13.653 0.458 -6.774 1.00 0.00 C ATOM 776 CG ASP A 59 13.932 -0.980 -6.384 1.00 0.00 C ATOM 777 OD1 ASP A 59 14.738 -1.198 -5.455 1.00 0.00 O ATOM 778 OD2 ASP A 59 13.343 -1.888 -7.006 1.00 0.00 O ATOM 0 H ASP A 59 12.057 0.553 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 59 14.819 1.402 -5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.646 0.531 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.342 0.757 -7.564 1.00 0.00 H new ATOM 783 N ASP A 60 14.322 3.786 -5.679 1.00 0.00 N ATOM 784 CA ASP A 60 14.120 5.184 -6.040 1.00 0.00 C ATOM 785 C ASP A 60 15.242 5.676 -6.950 1.00 0.00 C ATOM 786 O ASP A 60 16.416 5.645 -6.580 1.00 0.00 O ATOM 787 CB ASP A 60 14.048 6.053 -4.785 1.00 0.00 C ATOM 788 CG ASP A 60 14.029 7.535 -5.106 1.00 0.00 C ATOM 789 OD1 ASP A 60 14.969 8.009 -5.777 1.00 0.00 O ATOM 790 OD2 ASP A 60 13.073 8.221 -4.686 1.00 0.00 O ATOM 0 H ASP A 60 15.168 3.608 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 60 13.176 5.261 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.153 5.795 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.903 5.834 -4.145 1.00 0.00 H new ATOM 795 N HIS A 61 14.873 6.129 -8.145 1.00 0.00 N ATOM 796 CA HIS A 61 15.848 6.626 -9.109 1.00 0.00 C ATOM 797 C HIS A 61 15.179 7.524 -10.145 1.00 0.00 C ATOM 798 O HIS A 61 13.952 7.602 -10.215 1.00 0.00 O ATOM 799 CB HIS A 61 16.550 5.459 -9.805 1.00 0.00 C ATOM 800 CG HIS A 61 17.925 5.795 -10.297 1.00 0.00 C ATOM 801 ND1 HIS A 61 18.337 6.348 -11.462 1.00 0.00 N flip ATOM 802 CD2 HIS A 61 19.066 5.562 -9.560 1.00 0.00 C flip ATOM 803 CE1 HIS A 61 19.707 6.438 -11.407 1.00 0.00 C flip ATOM 804 NE2 HIS A 61 20.120 5.958 -10.248 1.00 0.00 N flip ATOM 0 H HIS A 61 13.906 6.162 -8.468 1.00 0.00 H new ATOM 0 HA HIS A 61 16.589 7.215 -8.568 1.00 0.00 H new ATOM 0 HB2 HIS A 61 16.616 4.620 -9.112 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.942 5.130 -10.648 1.00 0.00 H new ATOM 0 HD2 HIS A 61 19.093 5.124 -8.573 1.00 0.00 H new ATOM 0 HE1 HIS A 61 20.342 6.836 -12.184 1.00 0.00 H new ATOM 0 HE2 HIS A 61 21.090 5.903 -9.937 1.00 0.00 H new ATOM 812 N LYS A 62 15.992 8.201 -10.948 1.00 0.00 N ATOM 813 CA LYS A 62 15.480 9.094 -11.981 1.00 0.00 C ATOM 814 C LYS A 62 14.635 8.325 -12.993 1.00 0.00 C ATOM 815 O LYS A 62 13.456 8.623 -13.182 1.00 0.00 O ATOM 816 CB LYS A 62 16.636 9.796 -12.696 1.00 0.00 C ATOM 817 CG LYS A 62 16.191 10.932 -13.600 1.00 0.00 C ATOM 818 CD LYS A 62 15.884 12.191 -12.805 1.00 0.00 C ATOM 819 CE LYS A 62 16.092 13.443 -13.642 1.00 0.00 C ATOM 820 NZ LYS A 62 15.831 14.683 -12.859 1.00 0.00 N ATOM 0 H LYS A 62 17.010 8.148 -10.903 1.00 0.00 H new ATOM 0 HA LYS A 62 14.850 9.843 -11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.330 10.186 -11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.184 9.064 -13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.972 11.144 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.305 10.628 -14.158 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.854 12.156 -12.450 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.524 12.231 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.114 13.461 -14.021 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.431 13.415 -14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.984 15.515 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.848 14.678 -12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.479 14.723 -12.046 1.00 0.00 H new ATOM 834 N ASN A 63 15.244 7.337 -13.638 1.00 0.00 N ATOM 835 CA ASN A 63 14.547 6.526 -14.629 1.00 0.00 C ATOM 836 C ASN A 63 13.926 5.292 -13.983 1.00 0.00 C ATOM 837 O ASN A 63 12.884 4.806 -14.422 1.00 0.00 O ATOM 838 CB ASN A 63 15.509 6.103 -15.741 1.00 0.00 C ATOM 839 CG ASN A 63 16.364 7.254 -16.234 1.00 0.00 C ATOM 840 OD1 ASN A 63 15.941 8.037 -17.085 1.00 0.00 O ATOM 841 ND2 ASN A 63 17.576 7.363 -15.700 1.00 0.00 N ATOM 0 H ASN A 63 16.220 7.078 -13.492 1.00 0.00 H new ATOM 0 HA ASN A 63 13.748 7.130 -15.059 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.155 5.305 -15.375 1.00 0.00 H new ATOM 0 HB3 ASN A 63 14.939 5.694 -16.575 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.196 8.118 -15.993 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.886 6.692 -14.997 1.00 0.00 H new ATOM 848 N GLY A 64 14.571 4.790 -12.935 1.00 0.00 N ATOM 849 CA GLY A 64 14.068 3.617 -12.245 1.00 0.00 C ATOM 850 C GLY A 64 12.678 3.831 -11.677 1.00 0.00 C ATOM 851 O GLY A 64 11.680 3.633 -12.370 1.00 0.00 O ATOM 0 H GLY A 64 15.434 5.175 -12.551 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.050 2.773 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.751 3.353 -11.437 1.00 0.00 H new ATOM 855 N SER A 65 12.613 4.233 -10.412 1.00 0.00 N ATOM 856 CA SER A 65 11.336 4.469 -9.750 1.00 0.00 C ATOM 857 C SER A 65 10.356 3.336 -10.041 1.00 0.00 C ATOM 858 O SER A 65 9.181 3.574 -10.327 1.00 0.00 O ATOM 859 CB SER A 65 10.740 5.803 -10.203 1.00 0.00 C ATOM 860 OG SER A 65 10.017 5.654 -11.413 1.00 0.00 O ATOM 0 H SER A 65 13.430 4.402 -9.825 1.00 0.00 H new ATOM 0 HA SER A 65 11.514 4.506 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.081 6.192 -9.427 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.537 6.533 -10.340 1.00 0.00 H new ATOM 0 HG SER A 65 9.221 5.105 -11.253 1.00 0.00 H new ATOM 866 N CYS A 66 10.847 2.104 -9.967 1.00 0.00 N ATOM 867 CA CYS A 66 10.016 0.933 -10.223 1.00 0.00 C ATOM 868 C CYS A 66 8.755 0.964 -9.367 1.00 0.00 C ATOM 869 O CYS A 66 7.642 0.844 -9.878 1.00 0.00 O ATOM 870 CB CYS A 66 10.804 -0.348 -9.947 1.00 0.00 C ATOM 871 SG CYS A 66 12.174 -0.634 -11.091 1.00 0.00 S ATOM 0 H CYS A 66 11.816 1.890 -9.732 1.00 0.00 H new ATOM 0 HA CYS A 66 9.721 0.950 -11.272 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.196 -0.309 -8.931 1.00 0.00 H new ATOM 0 HB3 CYS A 66 10.123 -1.198 -9.993 1.00 0.00 H new ATOM 0 HG CYS A 66 12.780 -1.740 -10.774 1.00 0.00 H new ATOM 877 N GLY A 67 8.936 1.123 -8.060 1.00 0.00 N ATOM 878 CA GLY A 67 7.803 1.165 -7.153 1.00 0.00 C ATOM 879 C GLY A 67 8.094 0.481 -5.832 1.00 0.00 C ATOM 880 O GLY A 67 9.254 0.299 -5.460 1.00 0.00 O ATOM 0 H GLY A 67 9.847 1.224 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.527 2.203 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.945 0.687 -7.625 1.00 0.00 H new ATOM 884 N VAL A 68 7.038 0.104 -5.118 1.00 0.00 N ATOM 885 CA VAL A 68 7.186 -0.563 -3.829 1.00 0.00 C ATOM 886 C VAL A 68 6.799 -2.035 -3.924 1.00 0.00 C ATOM 887 O VAL A 68 5.666 -2.369 -4.269 1.00 0.00 O ATOM 888 CB VAL A 68 6.324 0.114 -2.747 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.494 -0.592 -1.410 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.677 1.588 -2.629 1.00 0.00 C ATOM 0 H VAL A 68 6.071 0.249 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 68 8.237 -0.484 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 68 5.277 0.038 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.878 -0.100 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.186 -1.633 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.540 -0.549 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.058 2.050 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.728 1.690 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.498 2.082 -3.584 1.00 0.00 H new ATOM 900 N SER A 69 7.750 -2.910 -3.616 1.00 0.00 N ATOM 901 CA SER A 69 7.512 -4.348 -3.670 1.00 0.00 C ATOM 902 C SER A 69 7.668 -4.977 -2.288 1.00 0.00 C ATOM 903 O SER A 69 8.463 -4.515 -1.470 1.00 0.00 O ATOM 904 CB SER A 69 8.476 -5.010 -4.656 1.00 0.00 C ATOM 905 OG SER A 69 9.813 -4.933 -4.192 1.00 0.00 O ATOM 0 H SER A 69 8.693 -2.649 -3.326 1.00 0.00 H new ATOM 0 HA SER A 69 6.489 -4.509 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.196 -6.054 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.397 -4.524 -5.629 1.00 0.00 H new ATOM 0 HG SER A 69 10.409 -5.365 -4.839 1.00 0.00 H new ATOM 911 N TYR A 70 6.902 -6.033 -2.035 1.00 0.00 N ATOM 912 CA TYR A 70 6.952 -6.725 -0.753 1.00 0.00 C ATOM 913 C TYR A 70 6.675 -8.215 -0.927 1.00 0.00 C ATOM 914 O TYR A 70 5.825 -8.611 -1.726 1.00 0.00 O ATOM 915 CB TYR A 70 5.940 -6.115 0.218 1.00 0.00 C ATOM 916 CG TYR A 70 4.512 -6.530 -0.057 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.058 -7.798 0.284 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.617 -5.653 -0.658 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.754 -8.181 0.033 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.311 -6.027 -0.910 1.00 0.00 C ATOM 921 CZ TYR A 70 1.885 -7.292 -0.563 1.00 0.00 C ATOM 922 OH TYR A 70 0.586 -7.669 -0.813 1.00 0.00 O ATOM 0 H TYR A 70 6.239 -6.428 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 70 7.955 -6.607 -0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.204 -6.405 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.010 -5.028 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.735 -8.496 0.753 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.948 -4.662 -0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.418 -9.171 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.628 -5.333 -1.376 1.00 0.00 H new ATOM 0 HH TYR A 70 0.300 -8.323 -0.142 1.00 0.00 H new ATOM 932 N ILE A 71 7.396 -9.036 -0.172 1.00 0.00 N ATOM 933 CA ILE A 71 7.227 -10.482 -0.240 1.00 0.00 C ATOM 934 C ILE A 71 6.955 -11.069 1.141 1.00 0.00 C ATOM 935 O ILE A 71 7.606 -10.706 2.120 1.00 0.00 O ATOM 936 CB ILE A 71 8.470 -11.166 -0.841 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.632 -10.779 -2.312 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.365 -12.677 -0.693 1.00 0.00 C ATOM 939 CD1 ILE A 71 9.985 -11.135 -2.885 1.00 0.00 C ATOM 0 H ILE A 71 8.103 -8.725 0.494 1.00 0.00 H new ATOM 0 HA ILE A 71 6.370 -10.670 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 71 9.352 -10.827 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.857 -11.274 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.473 -9.706 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.250 -13.147 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.293 -12.935 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.476 -13.033 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.028 -10.832 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.765 -10.619 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.139 -12.212 -2.813 1.00 0.00 H new ATOM 951 N ALA A 72 5.990 -11.981 1.210 1.00 0.00 N ATOM 952 CA ALA A 72 5.634 -12.622 2.470 1.00 0.00 C ATOM 953 C ALA A 72 5.959 -14.111 2.439 1.00 0.00 C ATOM 954 O ALA A 72 5.200 -14.909 1.892 1.00 0.00 O ATOM 955 CB ALA A 72 4.157 -12.408 2.771 1.00 0.00 C ATOM 0 H ALA A 72 5.441 -12.292 0.408 1.00 0.00 H new ATOM 0 HA ALA A 72 6.226 -12.164 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.904 -12.892 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.952 -11.340 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.556 -12.839 1.970 1.00 0.00 H new ATOM 961 N GLN A 73 7.092 -14.477 3.030 1.00 0.00 N ATOM 962 CA GLN A 73 7.518 -15.870 3.068 1.00 0.00 C ATOM 963 C GLN A 73 6.361 -16.782 3.461 1.00 0.00 C ATOM 964 O GLN A 73 6.211 -17.878 2.921 1.00 0.00 O ATOM 965 CB GLN A 73 8.677 -16.045 4.052 1.00 0.00 C ATOM 966 CG GLN A 73 9.889 -15.192 3.721 1.00 0.00 C ATOM 967 CD GLN A 73 9.824 -13.814 4.353 1.00 0.00 C ATOM 968 OE1 GLN A 73 9.909 -12.779 3.525 1.00 0.00 O flip ATOM 969 NE2 GLN A 73 9.699 -13.682 5.570 1.00 0.00 N flip ATOM 0 H GLN A 73 7.731 -13.828 3.489 1.00 0.00 H new ATOM 0 HA GLN A 73 7.854 -16.148 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.331 -15.797 5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.974 -17.094 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.791 -15.701 4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.971 -15.088 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.638 -14.506 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.657 -12.749 5.980 1.00 0.00 H new ATOM 978 N GLU A 74 5.544 -16.322 4.403 1.00 0.00 N ATOM 979 CA GLU A 74 4.400 -17.098 4.869 1.00 0.00 C ATOM 980 C GLU A 74 3.091 -16.379 4.554 1.00 0.00 C ATOM 981 O GLU A 74 3.001 -15.153 4.601 1.00 0.00 O ATOM 982 CB GLU A 74 4.506 -17.354 6.373 1.00 0.00 C ATOM 983 CG GLU A 74 5.695 -18.216 6.762 1.00 0.00 C ATOM 984 CD GLU A 74 5.497 -19.677 6.405 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.330 -20.108 6.300 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.509 -20.388 6.230 1.00 0.00 O ATOM 0 H GLU A 74 5.653 -15.416 4.859 1.00 0.00 H new ATOM 0 HA GLU A 74 4.405 -18.054 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.576 -16.398 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.591 -17.836 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.589 -17.842 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.868 -18.128 7.835 1.00 0.00 H new ATOM 993 N PRO A 75 2.051 -17.161 4.226 1.00 0.00 N ATOM 994 CA PRO A 75 0.729 -16.623 3.897 1.00 0.00 C ATOM 995 C PRO A 75 0.025 -16.030 5.114 1.00 0.00 C ATOM 996 O PRO A 75 0.297 -16.417 6.249 1.00 0.00 O ATOM 997 CB PRO A 75 -0.034 -17.844 3.381 1.00 0.00 C ATOM 998 CG PRO A 75 0.638 -19.009 4.021 1.00 0.00 C ATOM 999 CD PRO A 75 2.088 -18.631 4.150 1.00 0.00 C ATOM 0 HA PRO A 75 0.790 -15.807 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.088 -17.796 3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.011 -17.909 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.202 -19.223 4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.521 -19.908 3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.540 -19.068 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.671 -18.975 3.295 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.882 -15.090 4.868 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.610 -14.460 5.954 1.00 0.00 C ATOM 1009 C GLY A 76 -2.107 -13.074 5.592 1.00 0.00 C ATOM 1010 O GLY A 76 -1.864 -12.589 4.488 1.00 0.00 O ATOM 0 H GLY A 76 -1.126 -14.753 3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.458 -15.086 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.964 -14.394 6.830 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.808 -12.437 6.524 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.342 -11.099 6.296 1.00 0.00 C ATOM 1016 C ASN A 77 -2.333 -10.032 6.710 1.00 0.00 C ATOM 1017 O ASN A 77 -2.189 -9.723 7.893 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.648 -10.910 7.073 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.428 -10.872 8.572 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.469 -11.450 9.086 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.318 -10.189 9.284 1.00 0.00 N ATOM 0 H ASN A 77 -3.019 -12.825 7.443 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.541 -10.991 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.126 -9.983 6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.333 -11.722 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.222 -10.128 10.298 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.097 -9.725 8.817 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.637 -9.472 5.727 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.640 -8.441 5.988 1.00 0.00 C ATOM 1030 C TYR A 78 -1.272 -7.053 5.966 1.00 0.00 C ATOM 1031 O TYR A 78 -1.908 -6.664 4.986 1.00 0.00 O ATOM 1032 CB TYR A 78 0.485 -8.517 4.954 1.00 0.00 C ATOM 1033 CG TYR A 78 1.439 -9.668 5.180 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.111 -10.956 4.776 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.667 -9.468 5.798 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.979 -12.012 4.981 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.542 -10.517 6.006 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.193 -11.787 5.596 1.00 0.00 C ATOM 1039 OH TYR A 78 4.061 -12.835 5.802 1.00 0.00 O ATOM 0 H TYR A 78 -1.745 -9.715 4.742 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.226 -8.616 6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.048 -8.609 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.046 -7.583 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.162 -11.135 4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.943 -8.475 6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.708 -13.007 4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.493 -10.344 6.487 1.00 0.00 H new ATOM 0 HH TYR A 78 3.638 -13.671 5.517 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.093 -6.310 7.054 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.647 -4.965 7.161 1.00 0.00 C ATOM 1051 C GLU A 79 -0.570 -3.913 6.910 1.00 0.00 C ATOM 1052 O GLU A 79 0.305 -3.692 7.747 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.271 -4.754 8.541 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.437 -3.782 8.540 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.894 -3.416 9.939 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -3.809 -4.280 10.836 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.338 -2.265 10.136 1.00 0.00 O ATOM 0 H GLU A 79 -0.569 -6.617 7.874 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.421 -4.857 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.611 -5.715 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.505 -4.388 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.149 -2.876 8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.271 -4.222 7.993 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.642 -3.266 5.751 1.00 0.00 N ATOM 1065 CA VAL A 80 0.325 -2.236 5.389 1.00 0.00 C ATOM 1066 C VAL A 80 -0.057 -0.889 5.993 1.00 0.00 C ATOM 1067 O VAL A 80 -1.200 -0.448 5.881 1.00 0.00 O ATOM 1068 CB VAL A 80 0.441 -2.087 3.861 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.427 -0.986 3.505 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.852 -3.408 3.228 1.00 0.00 C ATOM 0 H VAL A 80 -1.360 -3.437 5.047 1.00 0.00 H new ATOM 0 HA VAL A 80 1.289 -2.551 5.789 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.535 -1.808 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.496 -0.896 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.085 -0.041 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.408 -1.231 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.929 -3.285 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.817 -3.718 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.104 -4.168 3.454 1.00 0.00 H new ATOM 1080 N SER A 81 0.910 -0.238 6.632 1.00 0.00 N ATOM 1081 CA SER A 81 0.676 1.059 7.256 1.00 0.00 C ATOM 1082 C SER A 81 1.338 2.175 6.455 1.00 0.00 C ATOM 1083 O SER A 81 2.549 2.384 6.543 1.00 0.00 O ATOM 1084 CB SER A 81 1.209 1.061 8.691 1.00 0.00 C ATOM 1085 OG SER A 81 0.920 2.288 9.339 1.00 0.00 O ATOM 0 H SER A 81 1.863 -0.588 6.731 1.00 0.00 H new ATOM 0 HA SER A 81 -0.399 1.237 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.764 0.237 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.286 0.895 8.683 1.00 0.00 H new ATOM 0 HG SER A 81 1.269 2.265 10.254 1.00 0.00 H new ATOM 1091 N ILE A 82 0.536 2.890 5.673 1.00 0.00 N ATOM 1092 CA ILE A 82 1.042 3.985 4.857 1.00 0.00 C ATOM 1093 C ILE A 82 0.730 5.336 5.493 1.00 0.00 C ATOM 1094 O ILE A 82 -0.425 5.641 5.793 1.00 0.00 O ATOM 1095 CB ILE A 82 0.448 3.951 3.436 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.860 2.663 2.718 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.893 5.171 2.645 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.260 2.523 1.337 1.00 0.00 C ATOM 0 H ILE A 82 -0.468 2.730 5.588 1.00 0.00 H new ATOM 0 HA ILE A 82 2.123 3.856 4.794 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.639 3.970 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.947 2.633 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.561 1.807 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.465 5.131 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.553 6.076 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.981 5.182 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.595 1.588 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.827 2.521 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.580 3.359 0.715 1.00 0.00 H new ATOM 1110 N LYS A 83 1.767 6.142 5.695 1.00 0.00 N ATOM 1111 CA LYS A 83 1.604 7.462 6.293 1.00 0.00 C ATOM 1112 C LYS A 83 2.174 8.545 5.383 1.00 0.00 C ATOM 1113 O LYS A 83 3.376 8.578 5.117 1.00 0.00 O ATOM 1114 CB LYS A 83 2.294 7.513 7.658 1.00 0.00 C ATOM 1115 CG LYS A 83 1.428 7.004 8.797 1.00 0.00 C ATOM 1116 CD LYS A 83 1.807 7.649 10.119 1.00 0.00 C ATOM 1117 CE LYS A 83 3.127 7.107 10.646 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.992 5.711 11.148 1.00 0.00 N ATOM 0 H LYS A 83 2.729 5.904 5.453 1.00 0.00 H new ATOM 0 HA LYS A 83 0.538 7.646 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.208 6.921 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.589 8.541 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.380 7.210 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.530 5.922 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.881 8.729 9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.020 7.469 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.875 7.137 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.488 7.749 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.298 5.668 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.998 5.412 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.585 5.077 10.575 1.00 0.00 H new ATOM 1132 N PHE A 84 1.304 9.431 4.909 1.00 0.00 N ATOM 1133 CA PHE A 84 1.722 10.516 4.029 1.00 0.00 C ATOM 1134 C PHE A 84 1.957 11.798 4.821 1.00 0.00 C ATOM 1135 O PHE A 84 1.089 12.247 5.569 1.00 0.00 O ATOM 1136 CB PHE A 84 0.667 10.758 2.947 1.00 0.00 C ATOM 1137 CG PHE A 84 1.107 11.725 1.886 1.00 0.00 C ATOM 1138 CD1 PHE A 84 2.144 11.404 1.024 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.485 12.956 1.749 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.551 12.293 0.047 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.888 13.848 0.774 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.922 13.516 -0.079 1.00 0.00 C ATOM 0 H PHE A 84 0.306 9.419 5.119 1.00 0.00 H new ATOM 0 HA PHE A 84 2.659 10.226 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.414 9.807 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.243 11.134 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.639 10.449 1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.325 13.221 2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.361 12.031 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.395 14.804 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.238 14.211 -0.843 1.00 0.00 H new ATOM 1152 N ASN A 85 3.138 12.384 4.651 1.00 0.00 N ATOM 1153 CA ASN A 85 3.489 13.615 5.350 1.00 0.00 C ATOM 1154 C ASN A 85 3.128 13.522 6.830 1.00 0.00 C ATOM 1155 O ASN A 85 2.749 14.515 7.450 1.00 0.00 O ATOM 1156 CB ASN A 85 2.776 14.809 4.714 1.00 0.00 C ATOM 1157 CG ASN A 85 1.270 14.739 4.879 1.00 0.00 C ATOM 1158 OD1 ASN A 85 0.762 14.606 5.992 1.00 0.00 O ATOM 1159 ND2 ASN A 85 0.548 14.828 3.767 1.00 0.00 N ATOM 0 H ASN A 85 3.868 12.026 4.035 1.00 0.00 H new ATOM 0 HA ASN A 85 4.566 13.757 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.145 15.731 5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.021 14.852 3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.470 14.787 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.012 14.938 2.865 1.00 0.00 H new ATOM 1166 N ASP A 86 3.249 12.322 7.388 1.00 0.00 N ATOM 1167 CA ASP A 86 2.937 12.099 8.795 1.00 0.00 C ATOM 1168 C ASP A 86 1.429 12.121 9.027 1.00 0.00 C ATOM 1169 O ASP A 86 0.952 12.694 10.006 1.00 0.00 O ATOM 1170 CB ASP A 86 3.615 13.160 9.664 1.00 0.00 C ATOM 1171 CG ASP A 86 4.980 13.554 9.137 1.00 0.00 C ATOM 1172 OD1 ASP A 86 5.840 12.660 8.985 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.191 14.756 8.874 1.00 0.00 O ATOM 0 H ASP A 86 3.561 11.490 6.888 1.00 0.00 H new ATOM 0 HA ASP A 86 3.315 11.116 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.979 14.044 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.717 12.782 10.681 1.00 0.00 H new ATOM 1178 N GLU A 87 0.687 11.493 8.120 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.766 11.444 8.226 1.00 0.00 C ATOM 1180 C GLU A 87 -1.305 10.116 7.702 1.00 0.00 C ATOM 1181 O GLU A 87 -0.883 9.634 6.650 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.397 12.603 7.452 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.583 13.860 8.285 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.322 14.952 7.535 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -2.259 14.964 6.289 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -2.965 15.794 8.197 1.00 0.00 O ATOM 0 H GLU A 87 1.068 11.012 7.305 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.030 11.534 9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.771 12.837 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.366 12.286 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.133 13.612 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.607 14.234 8.595 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.238 9.527 8.443 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.835 8.255 8.054 1.00 0.00 C ATOM 1195 C HIS A 88 -3.978 8.470 7.067 1.00 0.00 C ATOM 1196 O HIS A 88 -5.111 8.741 7.466 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.343 7.507 9.287 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.344 6.552 9.863 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.292 5.218 9.517 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.352 6.744 10.764 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.314 4.631 10.183 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.728 5.535 10.947 1.00 0.00 N ATOM 0 H HIS A 88 -2.597 9.911 9.317 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.066 7.655 7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.623 8.232 10.052 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.247 6.958 9.022 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.099 7.675 11.249 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.040 3.589 10.114 1.00 0.00 H new ATOM 0 HE2 HIS A 88 0.060 5.363 11.571 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.672 8.348 5.780 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.675 8.528 4.737 1.00 0.00 C ATOM 1212 C ILE A 89 -5.937 7.731 5.045 1.00 0.00 C ATOM 1213 O ILE A 89 -5.913 6.733 5.765 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.136 8.104 3.358 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.470 6.730 3.448 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.156 9.141 2.830 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.790 6.302 2.167 1.00 0.00 C ATOM 0 H ILE A 89 -2.739 8.125 5.434 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.917 9.591 4.712 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.972 8.037 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.735 6.744 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.222 5.988 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.784 8.827 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.661 10.102 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.320 9.238 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.340 5.319 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.525 6.255 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.014 7.023 1.908 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.072 8.179 4.484 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.366 7.522 4.683 1.00 0.00 C ATOM 1231 C PRO A 90 -8.441 6.167 3.984 1.00 0.00 C ATOM 1232 O PRO A 90 -9.486 5.519 3.981 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.362 8.501 4.057 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.566 9.258 3.051 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.176 9.363 3.615 1.00 0.00 C ATOM 0 HA PRO A 90 -8.558 7.312 5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.194 7.975 3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.788 9.167 4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.559 8.742 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.993 10.246 2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.421 9.352 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.039 10.287 4.176 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.326 5.748 3.395 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.266 4.471 2.694 1.00 0.00 C ATOM 1245 C GLU A 91 -6.273 3.527 3.365 1.00 0.00 C ATOM 1246 O GLU A 91 -6.178 2.353 3.008 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.875 4.686 1.230 1.00 0.00 C ATOM 1248 CG GLU A 91 -5.975 5.890 1.011 1.00 0.00 C ATOM 1249 CD GLU A 91 -5.620 6.096 -0.449 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -6.479 5.822 -1.313 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -4.482 6.530 -0.726 1.00 0.00 O ATOM 0 H GLU A 91 -6.452 6.274 3.389 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.256 4.016 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.369 3.793 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.780 4.807 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.471 6.783 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.060 5.764 1.589 1.00 0.00 H new ATOM 1258 N SER A 92 -5.534 4.050 4.339 1.00 0.00 N ATOM 1259 CA SER A 92 -4.545 3.256 5.058 1.00 0.00 C ATOM 1260 C SER A 92 -4.879 3.188 6.544 1.00 0.00 C ATOM 1261 O SER A 92 -5.552 4.059 7.096 1.00 0.00 O ATOM 1262 CB SER A 92 -3.147 3.847 4.863 1.00 0.00 C ATOM 1263 OG SER A 92 -2.835 4.766 5.896 1.00 0.00 O ATOM 0 H SER A 92 -5.602 5.020 4.648 1.00 0.00 H new ATOM 0 HA SER A 92 -4.563 2.244 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.408 3.046 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.092 4.348 3.897 1.00 0.00 H new ATOM 0 HG SER A 92 -1.863 4.877 5.953 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.397 2.129 7.211 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.595 1.085 6.565 1.00 0.00 C ATOM 1271 C PRO A 93 -4.416 0.232 5.605 1.00 0.00 C ATOM 1272 O PRO A 93 -5.644 0.326 5.572 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.097 0.241 7.741 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.108 0.455 8.814 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.599 1.866 8.645 1.00 0.00 C ATOM 0 HA PRO A 93 -2.795 1.505 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.024 -0.812 7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.105 0.557 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.928 -0.257 8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.667 0.311 9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.647 1.963 8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.036 2.564 9.265 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.734 -0.600 4.828 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.402 -1.470 3.867 1.00 0.00 C ATOM 1285 C TYR A 94 -4.313 -2.930 4.299 1.00 0.00 C ATOM 1286 O TYR A 94 -3.336 -3.348 4.922 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.783 -1.299 2.478 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.881 0.110 1.941 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.024 1.108 2.389 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.832 0.444 0.984 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.111 2.397 1.901 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.925 1.731 0.488 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.063 2.703 0.950 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.152 3.987 0.461 1.00 0.00 O ATOM 0 H TYR A 94 -2.718 -0.691 4.844 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.454 -1.186 3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.734 -1.591 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.276 -1.979 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.277 0.871 3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.510 -0.315 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.438 3.161 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.668 1.974 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.252 4.363 0.364 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.341 -3.703 3.965 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.381 -5.118 4.317 1.00 0.00 C ATOM 1306 C LEU A 95 -5.318 -5.992 3.068 1.00 0.00 C ATOM 1307 O LEU A 95 -6.278 -6.065 2.301 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.651 -5.431 5.109 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.675 -6.777 5.835 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.512 -6.881 6.807 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.999 -6.968 6.561 1.00 0.00 C ATOM 0 H LEU A 95 -6.158 -3.373 3.451 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.511 -5.338 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.800 -4.641 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.500 -5.394 4.426 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.573 -7.569 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.546 -7.845 7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.573 -6.791 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.581 -6.081 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.998 -7.931 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.132 -6.170 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.816 -6.940 5.840 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.184 -6.656 2.873 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.997 -7.528 1.719 1.00 0.00 C ATOM 1325 C VAL A 96 -3.886 -8.987 2.146 1.00 0.00 C ATOM 1326 O VAL A 96 -2.894 -9.413 2.738 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.739 -7.141 0.920 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.719 -7.853 -0.423 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.668 -5.633 0.735 1.00 0.00 C ATOM 0 H VAL A 96 -3.380 -6.607 3.499 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.874 -7.404 1.083 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.861 -7.456 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.823 -7.567 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.718 -8.931 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.602 -7.572 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.773 -5.378 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.550 -5.291 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.630 -5.148 1.710 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.928 -9.774 1.839 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.972 -11.199 2.180 1.00 0.00 C ATOM 1341 C PRO A 97 -3.983 -12.022 1.361 1.00 0.00 C ATOM 1342 O PRO A 97 -4.315 -12.518 0.285 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.409 -11.601 1.845 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.843 -10.624 0.807 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.144 -9.334 1.134 1.00 0.00 C ATOM 0 HA PRO A 97 -4.697 -11.377 3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.457 -12.624 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.049 -11.553 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.575 -10.971 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.925 -10.496 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.904 -8.768 0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.761 -8.690 1.761 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.767 -12.164 1.879 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.729 -12.928 1.195 1.00 0.00 C ATOM 1355 C VAL A 98 -1.939 -14.426 1.381 1.00 0.00 C ATOM 1356 O VAL A 98 -2.130 -14.903 2.500 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.325 -12.550 1.705 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.739 -13.378 1.001 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.072 -11.063 1.511 1.00 0.00 C ATOM 0 H VAL A 98 -2.476 -11.760 2.769 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.800 -12.682 0.136 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.273 -12.768 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.724 -13.097 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.565 -14.436 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.692 -13.195 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.924 -10.813 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.142 -10.817 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.816 -10.492 2.066 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.902 -15.165 0.276 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.086 -16.610 0.318 1.00 0.00 C ATOM 1371 C ILE A 99 -0.887 -17.335 -0.284 1.00 0.00 C ATOM 1372 O ILE A 99 -0.176 -16.786 -1.125 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.361 -17.036 -0.435 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.276 -16.618 -1.904 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.592 -16.432 0.224 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.108 -17.480 -2.826 1.00 0.00 C ATOM 0 H ILE A 99 -1.746 -14.786 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.184 -16.886 1.368 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.446 -18.122 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.600 -15.582 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.235 -16.657 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.485 -16.742 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.658 -16.776 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.517 -15.345 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.000 -17.126 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.769 -18.514 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.156 -17.422 -2.531 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.670 -18.571 0.151 1.00 0.00 N ATOM 1389 CA ALA A 100 0.440 -19.372 -0.348 1.00 0.00 C ATOM 1390 C ALA A 100 0.112 -19.979 -1.709 1.00 0.00 C ATOM 1391 O ALA A 100 -0.796 -20.798 -1.847 1.00 0.00 O ATOM 1392 CB ALA A 100 0.790 -20.468 0.649 1.00 0.00 C ATOM 0 H ALA A 100 -1.248 -19.040 0.848 1.00 0.00 H new ATOM 0 HA ALA A 100 1.302 -18.716 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.621 -21.059 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.075 -20.017 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.075 -21.114 0.799 1.00 0.00 H new ATOM 1398 N PRO A 101 0.867 -19.567 -2.738 1.00 0.00 N ATOM 1399 CA PRO A 101 0.675 -20.057 -4.106 1.00 0.00 C ATOM 1400 C PRO A 101 1.085 -21.518 -4.262 1.00 0.00 C ATOM 1401 O PRO A 101 2.203 -21.899 -3.915 1.00 0.00 O ATOM 1402 CB PRO A 101 1.589 -19.153 -4.938 1.00 0.00 C ATOM 1403 CG PRO A 101 2.641 -18.698 -3.985 1.00 0.00 C ATOM 1404 CD PRO A 101 1.968 -18.592 -2.645 1.00 0.00 C ATOM 0 HA PRO A 101 -0.372 -20.022 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.023 -19.695 -5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.039 -18.309 -5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.469 -19.406 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.055 -17.737 -4.291 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.652 -18.834 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.597 -17.584 -2.460 1.00 0.00 H new ATOM 1412 N SER A 102 0.173 -22.330 -4.786 1.00 0.00 N ATOM 1413 CA SER A 102 0.439 -23.749 -4.985 1.00 0.00 C ATOM 1414 C SER A 102 1.738 -23.957 -5.757 1.00 0.00 C ATOM 1415 O SER A 102 1.967 -23.325 -6.789 1.00 0.00 O ATOM 1416 CB SER A 102 -0.723 -24.408 -5.733 1.00 0.00 C ATOM 1417 OG SER A 102 -1.911 -24.371 -4.962 1.00 0.00 O ATOM 0 H SER A 102 -0.756 -22.029 -5.080 1.00 0.00 H new ATOM 0 HA SER A 102 0.542 -24.214 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.885 -23.897 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.469 -25.442 -5.967 1.00 0.00 H new ATOM 0 HG SER A 102 -2.639 -24.796 -5.462 1.00 0.00 H new ATOM 1423 N ASP A 103 2.585 -24.846 -5.251 1.00 0.00 N ATOM 1424 CA ASP A 103 3.862 -25.138 -5.893 1.00 0.00 C ATOM 1425 C ASP A 103 3.717 -26.279 -6.895 1.00 0.00 C ATOM 1426 O ASP A 103 3.671 -27.449 -6.516 1.00 0.00 O ATOM 1427 CB ASP A 103 4.914 -25.496 -4.842 1.00 0.00 C ATOM 1428 CG ASP A 103 5.360 -24.292 -4.035 1.00 0.00 C ATOM 1429 OD1 ASP A 103 4.729 -24.009 -2.996 1.00 0.00 O ATOM 1430 OD2 ASP A 103 6.338 -23.632 -4.444 1.00 0.00 O ATOM 0 H ASP A 103 2.411 -25.377 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 103 4.185 -24.246 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.508 -26.251 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.779 -25.940 -5.335 1.00 0.00 H new ATOM 1435 N ASP A 104 3.645 -25.929 -8.175 1.00 0.00 N ATOM 1436 CA ASP A 104 3.507 -26.924 -9.233 1.00 0.00 C ATOM 1437 C ASP A 104 4.734 -27.827 -9.293 1.00 0.00 C ATOM 1438 O ASP A 104 4.626 -29.047 -9.173 1.00 0.00 O ATOM 1439 CB ASP A 104 3.296 -26.237 -10.583 1.00 0.00 C ATOM 1440 CG ASP A 104 1.898 -25.671 -10.732 1.00 0.00 C ATOM 1441 OD1 ASP A 104 0.939 -26.327 -10.273 1.00 0.00 O ATOM 1442 OD2 ASP A 104 1.762 -24.571 -11.306 1.00 0.00 O ATOM 0 H ASP A 104 3.680 -24.964 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 104 2.636 -27.540 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.024 -25.434 -10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.483 -26.952 -11.384 1.00 0.00 H new ATOM 1447 N ALA A 105 5.902 -27.219 -9.482 1.00 0.00 N ATOM 1448 CA ALA A 105 7.149 -27.969 -9.558 1.00 0.00 C ATOM 1449 C ALA A 105 8.286 -27.214 -8.876 1.00 0.00 C ATOM 1450 O ALA A 105 8.076 -26.145 -8.301 1.00 0.00 O ATOM 1451 CB ALA A 105 7.503 -28.260 -11.009 1.00 0.00 C ATOM 0 H ALA A 105 6.009 -26.210 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 105 7.008 -28.914 -9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.437 -28.821 -11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.707 -28.847 -11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.619 -27.321 -11.550 1.00 0.00 H new TER 1457 ALA A 105