USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 674 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 NoAdj-H: A 81 ASNHD22 : A 81 ASN ND2 : A 85 GLN CG :(H bumps) USER MOD Set 1.1: A 92 HIS : +bothHN:sc= -11.6! C(o=-12!,f=-16!) USER MOD Set 1.2: A 98 ASN :FLIP amide:sc= -0.793 F(o=-15!,f=-12) USER MOD Set 2.1: A 83 ASN :FLIP amide:sc= -4.63! C(o=-17!,f=-5.2!) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.584 K(o=-5.2,f=-6) USER MOD Set 3.1: A 27 HIS : no HE2:sc= -11.3! C(o=-12!,f=-19!) USER MOD Set 3.2: A 57 TYR OH : rot -122:sc= -0.54! USER MOD Set 4.1: A 9 ASN : amide:sc= -16.7! C(o=-24!,f=-28!) USER MOD Set 4.2: A 11 TYR OH : rot 41:sc= -7.23! USER MOD Set 5.1: A 6 CYS SG : rot -32:sc= -27.3! USER MOD Set 5.2: A 103 CYS SG : rot -173:sc= -37.8! USER MOD Set 6.1: A 2 CYS SG : rot 2:sc= 0.123 USER MOD Set 6.2: A 10 CYS SG : rot 180:sc= -7.75! USER MOD Single : A 4 TYR OH : rot 150:sc= -1.66! USER MOD Single : A 5 THR OG1 : rot -60:sc= -0.877! USER MOD Single : A 8 SER OG : rot 65:sc= 0.935 USER MOD Single : A 12 SER OG : rot 113:sc= -0.0512 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= -18.4! C(o=-18!,f=-27!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -41:sc= 0.027 USER MOD Single : A 36 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.3!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 38 TYR OH : rot 61:sc= 0.0237 USER MOD Single : A 40 HIS : +bothHN:sc= -10.9! C(o=-11!,f=-14!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 55:sc= -4! USER MOD Single : A 43 ASN :FLIP amide:sc= -5.19! C(o=-7!,f=-5.2!) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0117 F(o=-0.55,f=-0.012) 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 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 13:sc= 0.395 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.688 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 72 SER OG : rot -56:sc= 0.911 USER MOD Single : A 85 GLN : amide:sc= -83.1! C(o=-83!,f=-84!) USER MOD Single : A 91 THR OG1 : rot 140:sc= 0.0703 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -6.49! C(o=-15!,f=-6.5!) USER MOD Single : A 104 THR OG1 : rot -63:sc= 0.711 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -4.508 -14.574 -6.372 1.00 0.00 N ATOM 12 CA CYS A 2 -3.477 -13.763 -5.745 1.00 0.00 C ATOM 13 C CYS A 2 -3.182 -12.572 -6.659 1.00 0.00 C ATOM 14 O CYS A 2 -2.060 -12.416 -7.139 1.00 0.00 O ATOM 15 CB CYS A 2 -2.218 -14.581 -5.448 1.00 0.00 C ATOM 16 SG CYS A 2 -2.327 -16.350 -5.905 1.00 0.00 S ATOM 0 HA CYS A 2 -3.831 -13.400 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.378 -14.134 -5.979 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.997 -14.508 -4.383 1.00 0.00 H new ATOM 0 HG CYS A 2 -3.483 -16.587 -6.450 1.00 0.00 H new ATOM 21 N ASP A 3 -4.209 -11.761 -6.871 1.00 0.00 N ATOM 22 CA ASP A 3 -4.073 -10.589 -7.718 1.00 0.00 C ATOM 23 C ASP A 3 -2.743 -9.896 -7.414 1.00 0.00 C ATOM 24 O ASP A 3 -2.175 -9.229 -8.278 1.00 0.00 O ATOM 25 CB ASP A 3 -5.198 -9.586 -7.455 1.00 0.00 C ATOM 26 CG ASP A 3 -6.601 -10.078 -7.822 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.858 -11.280 -7.596 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.383 -9.240 -8.319 1.00 0.00 O ATOM 0 H ASP A 3 -5.138 -11.893 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.117 -10.917 -8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.187 -9.320 -6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.991 -8.675 -8.016 1.00 0.00 H new ATOM 33 N TYR A 4 -2.285 -10.078 -6.184 1.00 0.00 N ATOM 34 CA TYR A 4 -1.033 -9.479 -5.756 1.00 0.00 C ATOM 35 C TYR A 4 -0.204 -10.470 -4.935 1.00 0.00 C ATOM 36 O TYR A 4 -0.504 -10.719 -3.769 1.00 0.00 O ATOM 37 CB TYR A 4 -1.414 -8.294 -4.867 1.00 0.00 C ATOM 38 CG TYR A 4 -2.351 -7.288 -5.540 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.862 -6.421 -6.496 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.686 -7.249 -5.191 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.744 -5.475 -7.128 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.568 -6.303 -5.824 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.054 -5.463 -6.762 1.00 0.00 C ATOM 44 OH TYR A 4 -4.887 -4.569 -7.360 1.00 0.00 O ATOM 0 H TYR A 4 -2.759 -10.632 -5.470 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.436 -9.180 -6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.891 -8.670 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.505 -7.778 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.818 -6.452 -6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.069 -7.928 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.374 -4.790 -7.876 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.614 -6.261 -5.560 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.793 -4.940 -7.397 1.00 0.00 H new ATOM 54 N THR A 5 0.823 -11.007 -5.577 1.00 0.00 N ATOM 55 CA THR A 5 1.697 -11.965 -4.922 1.00 0.00 C ATOM 56 C THR A 5 3.109 -11.390 -4.784 1.00 0.00 C ATOM 57 O THR A 5 3.862 -11.345 -5.756 1.00 0.00 O ATOM 58 CB THR A 5 1.648 -13.272 -5.716 1.00 0.00 C ATOM 59 OG1 THR A 5 0.588 -14.006 -5.109 1.00 0.00 O ATOM 60 CG2 THR A 5 2.883 -14.144 -5.487 1.00 0.00 C ATOM 0 H THR A 5 1.069 -10.797 -6.544 1.00 0.00 H new ATOM 0 HA THR A 5 1.363 -12.174 -3.906 1.00 0.00 H new ATOM 0 HB THR A 5 1.555 -13.048 -6.779 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.793 -14.155 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.797 -15.059 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.775 -13.599 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.959 -14.397 -4.430 1.00 0.00 H new ATOM 68 N CYS A 6 3.425 -10.967 -3.570 1.00 0.00 N ATOM 69 CA CYS A 6 4.734 -10.398 -3.293 1.00 0.00 C ATOM 70 C CYS A 6 5.733 -11.545 -3.139 1.00 0.00 C ATOM 71 O CYS A 6 6.274 -11.761 -2.055 1.00 0.00 O ATOM 72 CB CYS A 6 4.708 -9.493 -2.059 1.00 0.00 C ATOM 73 SG CYS A 6 4.059 -7.808 -2.355 1.00 0.00 S ATOM 0 H CYS A 6 2.798 -11.006 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 6 5.040 -9.761 -4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.102 -9.970 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.721 -9.413 -1.664 1.00 0.00 H new ATOM 0 HG CYS A 6 4.351 -7.437 -3.566 1.00 0.00 H new ATOM 78 N GLY A 7 5.950 -12.251 -4.238 1.00 0.00 N ATOM 79 CA GLY A 7 6.876 -13.371 -4.239 1.00 0.00 C ATOM 80 C GLY A 7 6.171 -14.665 -3.828 1.00 0.00 C ATOM 81 O GLY A 7 6.347 -15.701 -4.466 1.00 0.00 O ATOM 0 H GLY A 7 5.500 -12.069 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.309 -13.488 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.699 -13.168 -3.554 1.00 0.00 H new ATOM 85 N SER A 8 5.388 -14.563 -2.763 1.00 0.00 N ATOM 86 CA SER A 8 4.656 -15.712 -2.260 1.00 0.00 C ATOM 87 C SER A 8 3.518 -15.249 -1.349 1.00 0.00 C ATOM 88 O SER A 8 3.346 -15.771 -0.248 1.00 0.00 O ATOM 89 CB SER A 8 5.583 -16.668 -1.506 1.00 0.00 C ATOM 90 OG SER A 8 5.595 -16.407 -0.105 1.00 0.00 O ATOM 0 H SER A 8 5.245 -13.702 -2.235 1.00 0.00 H new ATOM 0 HA SER A 8 4.237 -16.250 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.264 -17.695 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.595 -16.578 -1.900 1.00 0.00 H new ATOM 0 HG SER A 8 4.709 -16.592 0.270 1.00 0.00 H new ATOM 96 N ASN A 9 2.768 -14.272 -1.840 1.00 0.00 N ATOM 97 CA ASN A 9 1.651 -13.733 -1.084 1.00 0.00 C ATOM 98 C ASN A 9 0.365 -13.895 -1.897 1.00 0.00 C ATOM 99 O ASN A 9 0.336 -14.639 -2.877 1.00 0.00 O ATOM 100 CB ASN A 9 1.846 -12.243 -0.801 1.00 0.00 C ATOM 101 CG ASN A 9 3.225 -11.975 -0.195 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.361 -11.559 0.944 1.00 0.00 O ATOM 103 ND2 ASN A 9 4.237 -12.236 -1.018 1.00 0.00 N ATOM 0 H ASN A 9 2.913 -13.840 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 9 1.590 -14.275 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.735 -11.676 -1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.071 -11.895 -0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.198 -12.090 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.052 -12.582 -1.959 1.00 0.00 H new ATOM 110 N CYS A 10 -0.666 -13.188 -1.461 1.00 0.00 N ATOM 111 CA CYS A 10 -1.952 -13.245 -2.135 1.00 0.00 C ATOM 112 C CYS A 10 -2.870 -12.194 -1.509 1.00 0.00 C ATOM 113 O CYS A 10 -3.747 -12.526 -0.714 1.00 0.00 O ATOM 114 CB CYS A 10 -2.562 -14.646 -2.072 1.00 0.00 C ATOM 115 SG CYS A 10 -4.104 -14.857 -3.037 1.00 0.00 S ATOM 0 H CYS A 10 -0.637 -12.572 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.820 -13.025 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.825 -15.364 -2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.766 -14.892 -1.030 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.530 -16.079 -2.913 1.00 0.00 H new ATOM 120 N TYR A 11 -2.636 -10.947 -1.891 1.00 0.00 N ATOM 121 CA TYR A 11 -3.431 -9.845 -1.378 1.00 0.00 C ATOM 122 C TYR A 11 -4.632 -9.564 -2.285 1.00 0.00 C ATOM 123 O TYR A 11 -4.936 -8.409 -2.578 1.00 0.00 O ATOM 124 CB TYR A 11 -2.510 -8.624 -1.379 1.00 0.00 C ATOM 125 CG TYR A 11 -1.090 -8.915 -0.890 1.00 0.00 C ATOM 126 CD1 TYR A 11 -0.849 -9.111 0.454 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.049 -8.982 -1.794 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.488 -9.386 0.915 1.00 0.00 C ATOM 129 CE2 TYR A 11 1.287 -9.257 -1.334 1.00 0.00 C ATOM 130 CZ TYR A 11 1.489 -9.445 -0.002 1.00 0.00 C ATOM 131 OH TYR A 11 2.752 -9.704 0.431 1.00 0.00 O ATOM 0 H TYR A 11 -1.907 -10.676 -2.550 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.814 -10.079 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.459 -8.221 -2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.949 -7.850 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.663 -9.058 1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.237 -8.828 -2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.690 -9.542 1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.110 -9.313 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 11 2.725 -10.399 1.121 1.00 0.00 H new ATOM 141 N SER A 12 -5.280 -10.641 -2.703 1.00 0.00 N ATOM 142 CA SER A 12 -6.441 -10.525 -3.571 1.00 0.00 C ATOM 143 C SER A 12 -7.099 -9.157 -3.384 1.00 0.00 C ATOM 144 O SER A 12 -7.059 -8.588 -2.294 1.00 0.00 O ATOM 145 CB SER A 12 -7.448 -11.642 -3.294 1.00 0.00 C ATOM 146 OG SER A 12 -8.490 -11.216 -2.419 1.00 0.00 O ATOM 0 H SER A 12 -5.024 -11.597 -2.458 1.00 0.00 H new ATOM 0 HA SER A 12 -6.108 -10.622 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.881 -11.982 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.931 -12.495 -2.854 1.00 0.00 H new ATOM 0 HG SER A 12 -9.339 -11.195 -2.907 1.00 0.00 H new ATOM 152 N SER A 13 -7.689 -8.668 -4.465 1.00 0.00 N ATOM 153 CA SER A 13 -8.356 -7.377 -4.434 1.00 0.00 C ATOM 154 C SER A 13 -9.066 -7.186 -3.092 1.00 0.00 C ATOM 155 O SER A 13 -9.298 -6.057 -2.664 1.00 0.00 O ATOM 156 CB SER A 13 -9.354 -7.244 -5.586 1.00 0.00 C ATOM 157 OG SER A 13 -10.589 -7.894 -5.300 1.00 0.00 O ATOM 0 H SER A 13 -7.719 -9.142 -5.368 1.00 0.00 H new ATOM 0 HA SER A 13 -7.601 -6.600 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.538 -6.188 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.921 -7.670 -6.491 1.00 0.00 H new ATOM 0 HG SER A 13 -11.200 -7.785 -6.059 1.00 0.00 H new ATOM 163 N SER A 14 -9.392 -8.308 -2.467 1.00 0.00 N ATOM 164 CA SER A 14 -10.071 -8.279 -1.183 1.00 0.00 C ATOM 165 C SER A 14 -9.057 -8.056 -0.059 1.00 0.00 C ATOM 166 O SER A 14 -9.410 -7.571 1.014 1.00 0.00 O ATOM 167 CB SER A 14 -10.852 -9.572 -0.944 1.00 0.00 C ATOM 168 OG SER A 14 -11.621 -9.517 0.256 1.00 0.00 O ATOM 0 H SER A 14 -9.198 -9.243 -2.826 1.00 0.00 H new ATOM 0 HA SER A 14 -10.782 -7.453 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.513 -9.758 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.158 -10.411 -0.892 1.00 0.00 H new ATOM 0 HG SER A 14 -12.106 -10.360 0.372 1.00 0.00 H new ATOM 174 N ASP A 15 -7.815 -8.421 -0.345 1.00 0.00 N ATOM 175 CA ASP A 15 -6.747 -8.267 0.628 1.00 0.00 C ATOM 176 C ASP A 15 -6.239 -6.824 0.598 1.00 0.00 C ATOM 177 O ASP A 15 -5.800 -6.296 1.618 1.00 0.00 O ATOM 178 CB ASP A 15 -5.570 -9.190 0.304 1.00 0.00 C ATOM 179 CG ASP A 15 -5.509 -10.475 1.130 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.397 -11.329 0.918 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.576 -10.576 1.955 1.00 0.00 O ATOM 0 H ASP A 15 -7.525 -8.823 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.146 -8.522 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.617 -9.457 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.643 -8.637 0.452 1.00 0.00 H new ATOM 186 N VAL A 16 -6.317 -6.227 -0.583 1.00 0.00 N ATOM 187 CA VAL A 16 -5.871 -4.856 -0.760 1.00 0.00 C ATOM 188 C VAL A 16 -6.896 -3.907 -0.135 1.00 0.00 C ATOM 189 O VAL A 16 -6.588 -3.196 0.820 1.00 0.00 O ATOM 190 CB VAL A 16 -5.621 -4.574 -2.242 1.00 0.00 C ATOM 191 CG1 VAL A 16 -5.137 -3.137 -2.453 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.629 -5.579 -2.832 1.00 0.00 C ATOM 0 H VAL A 16 -6.683 -6.669 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.922 -4.694 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.568 -4.689 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.967 -2.963 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.892 -2.441 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.207 -2.982 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.469 -5.356 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.681 -5.510 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.030 -6.588 -2.731 1.00 0.00 H new ATOM 202 N SER A 17 -8.094 -3.926 -0.700 1.00 0.00 N ATOM 203 CA SER A 17 -9.166 -3.076 -0.210 1.00 0.00 C ATOM 204 C SER A 17 -9.126 -3.011 1.318 1.00 0.00 C ATOM 205 O SER A 17 -9.131 -1.927 1.897 1.00 0.00 O ATOM 206 CB SER A 17 -10.530 -3.581 -0.685 1.00 0.00 C ATOM 207 OG SER A 17 -11.519 -2.556 -0.658 1.00 0.00 O ATOM 0 H SER A 17 -8.346 -4.517 -1.492 1.00 0.00 H new ATOM 0 HA SER A 17 -9.019 -2.074 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.439 -3.970 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.850 -4.410 -0.053 1.00 0.00 H new ATOM 0 HG SER A 17 -12.374 -2.918 -0.970 1.00 0.00 H new ATOM 213 N THR A 18 -9.089 -4.187 1.927 1.00 0.00 N ATOM 214 CA THR A 18 -9.048 -4.278 3.377 1.00 0.00 C ATOM 215 C THR A 18 -7.908 -3.423 3.933 1.00 0.00 C ATOM 216 O THR A 18 -8.116 -2.616 4.837 1.00 0.00 O ATOM 217 CB THR A 18 -8.940 -5.757 3.756 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.294 -6.181 3.888 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.347 -5.962 5.151 1.00 0.00 C ATOM 0 H THR A 18 -9.087 -5.085 1.443 1.00 0.00 H new ATOM 0 HA THR A 18 -9.959 -3.879 3.824 1.00 0.00 H new ATOM 0 HB THR A 18 -8.325 -6.276 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.317 -7.130 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.292 -7.028 5.370 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.346 -5.532 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.979 -5.471 5.891 1.00 0.00 H new ATOM 227 N ALA A 19 -6.727 -3.631 3.369 1.00 0.00 N ATOM 228 CA ALA A 19 -5.553 -2.888 3.797 1.00 0.00 C ATOM 229 C ALA A 19 -5.784 -1.395 3.559 1.00 0.00 C ATOM 230 O ALA A 19 -5.458 -0.569 4.411 1.00 0.00 O ATOM 231 CB ALA A 19 -4.321 -3.413 3.059 1.00 0.00 C ATOM 0 H ALA A 19 -6.558 -4.303 2.620 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.378 -3.027 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.440 -2.856 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.184 -4.470 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.459 -3.287 1.985 1.00 0.00 H new ATOM 237 N GLN A 20 -6.343 -1.094 2.396 1.00 0.00 N ATOM 238 CA GLN A 20 -6.621 0.287 2.035 1.00 0.00 C ATOM 239 C GLN A 20 -7.538 0.933 3.074 1.00 0.00 C ATOM 240 O GLN A 20 -7.209 1.979 3.633 1.00 0.00 O ATOM 241 CB GLN A 20 -7.232 0.374 0.634 1.00 0.00 C ATOM 242 CG GLN A 20 -6.429 -0.459 -0.366 1.00 0.00 C ATOM 243 CD GLN A 20 -7.253 -0.751 -1.622 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.517 -1.890 -1.972 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.645 0.338 -2.278 1.00 0.00 N ATOM 0 H GLN A 20 -6.611 -1.782 1.692 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.679 0.835 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.263 0.022 0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.258 1.414 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.518 0.073 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.123 -1.396 0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.390 1.262 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.201 0.249 -3.128 1.00 0.00 H new ATOM 254 N ALA A 21 -8.670 0.285 3.303 1.00 0.00 N ATOM 255 CA ALA A 21 -9.637 0.783 4.266 1.00 0.00 C ATOM 256 C ALA A 21 -8.897 1.437 5.434 1.00 0.00 C ATOM 257 O ALA A 21 -9.308 2.486 5.926 1.00 0.00 O ATOM 258 CB ALA A 21 -10.545 -0.363 4.718 1.00 0.00 C ATOM 0 H ALA A 21 -8.940 -0.582 2.838 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.273 1.543 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.270 0.011 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.070 -0.773 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.942 -1.144 5.181 1.00 0.00 H new ATOM 264 N ALA A 22 -7.817 0.789 5.845 1.00 0.00 N ATOM 265 CA ALA A 22 -7.015 1.294 6.947 1.00 0.00 C ATOM 266 C ALA A 22 -6.216 2.510 6.474 1.00 0.00 C ATOM 267 O ALA A 22 -6.240 3.561 7.114 1.00 0.00 O ATOM 268 CB ALA A 22 -6.115 0.176 7.478 1.00 0.00 C ATOM 0 H ALA A 22 -7.478 -0.081 5.435 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.653 1.617 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.514 0.555 8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.731 -0.652 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.458 -0.172 6.681 1.00 0.00 H new ATOM 274 N GLY A 23 -5.526 2.327 5.358 1.00 0.00 N ATOM 275 CA GLY A 23 -4.721 3.397 4.793 1.00 0.00 C ATOM 276 C GLY A 23 -5.549 4.671 4.615 1.00 0.00 C ATOM 277 O GLY A 23 -5.065 5.772 4.873 1.00 0.00 O ATOM 0 H GLY A 23 -5.508 1.454 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.871 3.600 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.318 3.084 3.830 1.00 0.00 H new ATOM 281 N TYR A 24 -6.784 4.480 4.174 1.00 0.00 N ATOM 282 CA TYR A 24 -7.684 5.600 3.958 1.00 0.00 C ATOM 283 C TYR A 24 -8.187 6.163 5.289 1.00 0.00 C ATOM 284 O TYR A 24 -7.768 7.242 5.708 1.00 0.00 O ATOM 285 CB TYR A 24 -8.872 5.040 3.173 1.00 0.00 C ATOM 286 CG TYR A 24 -10.021 6.034 2.991 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.754 7.385 2.880 1.00 0.00 C ATOM 288 CD2 TYR A 24 -11.324 5.581 2.939 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.836 8.320 2.708 1.00 0.00 C ATOM 290 CE2 TYR A 24 -12.405 6.518 2.769 1.00 0.00 C ATOM 291 CZ TYR A 24 -12.107 7.840 2.662 1.00 0.00 C ATOM 292 OH TYR A 24 -13.128 8.723 2.500 1.00 0.00 O ATOM 0 H TYR A 24 -7.182 3.566 3.960 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.175 6.406 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.526 4.717 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.249 4.155 3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.735 7.740 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.533 4.525 3.026 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.642 9.379 2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.429 6.178 2.727 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.980 8.239 2.484 1.00 0.00 H new ATOM 302 N LYS A 25 -9.076 5.408 5.916 1.00 0.00 N ATOM 303 CA LYS A 25 -9.640 5.819 7.191 1.00 0.00 C ATOM 304 C LYS A 25 -8.572 6.552 8.004 1.00 0.00 C ATOM 305 O LYS A 25 -8.804 7.660 8.484 1.00 0.00 O ATOM 306 CB LYS A 25 -10.251 4.619 7.917 1.00 0.00 C ATOM 307 CG LYS A 25 -10.142 4.784 9.435 1.00 0.00 C ATOM 308 CD LYS A 25 -8.763 4.350 9.935 1.00 0.00 C ATOM 309 CE LYS A 25 -8.888 3.343 11.081 1.00 0.00 C ATOM 310 NZ LYS A 25 -7.965 3.695 12.183 1.00 0.00 N ATOM 0 H LYS A 25 -9.420 4.514 5.566 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.460 6.521 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.298 4.512 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.742 3.705 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.320 5.825 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.914 4.191 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.198 3.906 9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.203 5.222 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.914 3.327 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.664 2.340 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.062 3.002 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.986 3.687 11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.197 4.644 12.540 1.00 0.00 H new ATOM 324 N LEU A 26 -7.424 5.904 8.133 1.00 0.00 N ATOM 325 CA LEU A 26 -6.319 6.479 8.881 1.00 0.00 C ATOM 326 C LEU A 26 -5.795 7.711 8.139 1.00 0.00 C ATOM 327 O LEU A 26 -5.407 8.697 8.763 1.00 0.00 O ATOM 328 CB LEU A 26 -5.247 5.422 9.151 1.00 0.00 C ATOM 329 CG LEU A 26 -3.965 5.922 9.822 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.270 6.559 11.179 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.931 4.801 9.934 1.00 0.00 C ATOM 0 H LEU A 26 -7.235 4.985 7.732 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.656 6.815 9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.682 4.644 9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.979 4.955 8.203 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.530 6.698 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.343 6.906 11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.945 7.404 11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.740 5.822 11.830 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.030 5.183 10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.341 3.986 10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.683 4.434 8.938 1.00 0.00 H new ATOM 343 N HIS A 27 -5.801 7.613 6.817 1.00 0.00 N ATOM 344 CA HIS A 27 -5.331 8.708 5.984 1.00 0.00 C ATOM 345 C HIS A 27 -6.242 9.922 6.170 1.00 0.00 C ATOM 346 O HIS A 27 -5.765 11.049 6.298 1.00 0.00 O ATOM 347 CB HIS A 27 -5.219 8.269 4.523 1.00 0.00 C ATOM 348 CG HIS A 27 -5.239 9.410 3.536 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.286 10.414 3.529 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.105 9.696 2.522 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.576 11.261 2.553 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.704 10.815 1.929 1.00 0.00 N ATOM 0 H HIS A 27 -6.123 6.793 6.303 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.327 9.000 6.293 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.295 7.706 4.393 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.040 7.590 4.294 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.494 10.489 4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.971 9.111 2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.017 12.149 2.296 1.00 0.00 H new ATOM 361 N GLU A 28 -7.540 9.652 6.179 1.00 0.00 N ATOM 362 CA GLU A 28 -8.523 10.709 6.347 1.00 0.00 C ATOM 363 C GLU A 28 -8.429 11.303 7.754 1.00 0.00 C ATOM 364 O GLU A 28 -8.775 12.465 7.966 1.00 0.00 O ATOM 365 CB GLU A 28 -9.936 10.195 6.063 1.00 0.00 C ATOM 366 CG GLU A 28 -9.916 8.704 5.715 1.00 0.00 C ATOM 367 CD GLU A 28 -11.325 8.197 5.402 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.265 9.008 5.542 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.431 7.008 5.030 1.00 0.00 O ATOM 0 H GLU A 28 -7.933 8.717 6.073 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.306 11.497 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.569 10.361 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.374 10.759 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.266 8.536 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.498 8.138 6.547 1.00 0.00 H new ATOM 376 N ASP A 29 -7.959 10.480 8.680 1.00 0.00 N ATOM 377 CA ASP A 29 -7.814 10.909 10.060 1.00 0.00 C ATOM 378 C ASP A 29 -6.545 11.751 10.198 1.00 0.00 C ATOM 379 O ASP A 29 -6.429 12.560 11.117 1.00 0.00 O ATOM 380 CB ASP A 29 -7.689 9.709 11.000 1.00 0.00 C ATOM 381 CG ASP A 29 -8.844 8.707 10.927 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.003 9.174 10.963 1.00 0.00 O ATOM 383 OD2 ASP A 29 -8.541 7.498 10.837 1.00 0.00 O ATOM 0 H ASP A 29 -7.674 9.517 8.501 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.699 11.486 10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.759 9.186 10.775 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.610 10.075 12.024 1.00 0.00 H new ATOM 388 N GLY A 30 -5.625 11.533 9.269 1.00 0.00 N ATOM 389 CA GLY A 30 -4.368 12.263 9.275 1.00 0.00 C ATOM 390 C GLY A 30 -3.409 11.692 10.322 1.00 0.00 C ATOM 391 O GLY A 30 -2.459 12.361 10.727 1.00 0.00 O ATOM 0 H GLY A 30 -5.725 10.862 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.908 12.211 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.556 13.316 9.484 1.00 0.00 H new ATOM 395 N GLU A 31 -3.691 10.464 10.731 1.00 0.00 N ATOM 396 CA GLU A 31 -2.865 9.797 11.723 1.00 0.00 C ATOM 397 C GLU A 31 -1.853 8.876 11.038 1.00 0.00 C ATOM 398 O GLU A 31 -1.873 8.723 9.818 1.00 0.00 O ATOM 399 CB GLU A 31 -3.727 9.021 12.721 1.00 0.00 C ATOM 400 CG GLU A 31 -4.218 9.932 13.847 1.00 0.00 C ATOM 401 CD GLU A 31 -3.086 10.253 14.826 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.173 11.000 14.413 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.160 9.744 15.966 1.00 0.00 O ATOM 0 H GLU A 31 -4.480 9.913 10.393 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.316 10.556 12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.581 8.582 12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.150 8.197 13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.612 10.857 13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.038 9.449 14.379 1.00 0.00 H new ATOM 410 N THR A 32 -0.993 8.285 11.855 1.00 0.00 N ATOM 411 CA THR A 32 0.025 7.384 11.343 1.00 0.00 C ATOM 412 C THR A 32 0.021 6.073 12.133 1.00 0.00 C ATOM 413 O THR A 32 -0.737 5.922 13.089 1.00 0.00 O ATOM 414 CB THR A 32 1.369 8.114 11.384 1.00 0.00 C ATOM 415 OG1 THR A 32 1.388 8.733 12.668 1.00 0.00 O ATOM 416 CG2 THR A 32 1.428 9.287 10.404 1.00 0.00 C ATOM 0 H THR A 32 -0.980 8.413 12.867 1.00 0.00 H new ATOM 0 HA THR A 32 -0.177 7.106 10.309 1.00 0.00 H new ATOM 0 HB THR A 32 2.171 7.411 11.158 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.227 9.228 12.780 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.403 9.770 10.473 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.276 8.921 9.389 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.648 10.007 10.651 1.00 0.00 H new ATOM 424 N VAL A 33 0.878 5.158 11.703 1.00 0.00 N ATOM 425 CA VAL A 33 0.984 3.865 12.358 1.00 0.00 C ATOM 426 C VAL A 33 2.460 3.527 12.576 1.00 0.00 C ATOM 427 O VAL A 33 3.280 3.701 11.675 1.00 0.00 O ATOM 428 CB VAL A 33 0.241 2.804 11.544 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.147 3.299 11.134 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.057 2.382 10.320 1.00 0.00 C ATOM 0 H VAL A 33 1.505 5.287 10.909 1.00 0.00 H new ATOM 0 HA VAL A 33 0.510 3.894 13.339 1.00 0.00 H new ATOM 0 HB VAL A 33 0.109 1.927 12.178 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.653 2.525 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.730 3.526 12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.048 4.199 10.527 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.507 1.627 9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.234 3.249 9.684 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.012 1.968 10.644 1.00 0.00 H new ATOM 440 N GLY A 34 2.754 3.050 13.777 1.00 0.00 N ATOM 441 CA GLY A 34 4.117 2.686 14.123 1.00 0.00 C ATOM 442 C GLY A 34 4.967 3.931 14.385 1.00 0.00 C ATOM 443 O GLY A 34 4.470 4.929 14.905 1.00 0.00 O ATOM 0 H GLY A 34 2.072 2.907 14.522 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.114 2.050 15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.558 2.104 13.314 1.00 0.00 H new ATOM 447 N SER A 35 6.236 3.831 14.013 1.00 0.00 N ATOM 448 CA SER A 35 7.159 4.937 14.201 1.00 0.00 C ATOM 449 C SER A 35 7.300 5.729 12.900 1.00 0.00 C ATOM 450 O SER A 35 7.921 6.790 12.879 1.00 0.00 O ATOM 451 CB SER A 35 8.528 4.438 14.670 1.00 0.00 C ATOM 452 OG SER A 35 9.299 5.476 15.267 1.00 0.00 O ATOM 0 H SER A 35 6.645 3.002 13.583 1.00 0.00 H new ATOM 0 HA SER A 35 6.756 5.591 14.974 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.392 3.629 15.388 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.073 4.024 13.822 1.00 0.00 H new ATOM 0 HG SER A 35 9.192 6.302 14.750 1.00 0.00 H new ATOM 458 N ASN A 36 6.713 5.182 11.845 1.00 0.00 N ATOM 459 CA ASN A 36 6.765 5.824 10.543 1.00 0.00 C ATOM 460 C ASN A 36 5.658 6.875 10.452 1.00 0.00 C ATOM 461 O ASN A 36 5.064 7.246 11.465 1.00 0.00 O ATOM 462 CB ASN A 36 6.545 4.808 9.419 1.00 0.00 C ATOM 463 CG ASN A 36 7.873 4.414 8.768 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.947 4.765 9.227 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.739 3.668 7.676 1.00 0.00 N ATOM 0 H ASN A 36 6.199 4.301 11.866 1.00 0.00 H new ATOM 0 HA ASN A 36 7.749 6.280 10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.054 3.920 9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.879 5.231 8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.566 3.354 7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.809 3.410 7.346 1.00 0.00 H new ATOM 472 N SER A 37 5.413 7.328 9.231 1.00 0.00 N ATOM 473 CA SER A 37 4.388 8.330 8.996 1.00 0.00 C ATOM 474 C SER A 37 3.372 7.810 7.978 1.00 0.00 C ATOM 475 O SER A 37 2.933 8.550 7.099 1.00 0.00 O ATOM 476 CB SER A 37 5.002 9.644 8.509 1.00 0.00 C ATOM 477 OG SER A 37 5.483 9.545 7.171 1.00 0.00 O ATOM 0 H SER A 37 5.907 7.019 8.394 1.00 0.00 H new ATOM 0 HA SER A 37 3.880 8.526 9.940 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.256 10.437 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.822 9.928 9.169 1.00 0.00 H new ATOM 0 HG SER A 37 5.866 10.404 6.897 1.00 0.00 H new ATOM 483 N TYR A 38 3.025 6.540 8.130 1.00 0.00 N ATOM 484 CA TYR A 38 2.068 5.912 7.235 1.00 0.00 C ATOM 485 C TYR A 38 0.658 5.955 7.823 1.00 0.00 C ATOM 486 O TYR A 38 0.487 5.909 9.041 1.00 0.00 O ATOM 487 CB TYR A 38 2.510 4.453 7.103 1.00 0.00 C ATOM 488 CG TYR A 38 3.845 4.270 6.378 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.871 5.170 6.584 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.023 3.204 5.520 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.127 4.998 5.902 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.281 3.032 4.838 1.00 0.00 C ATOM 493 CZ TYR A 38 6.270 3.937 5.063 1.00 0.00 C ATOM 494 OH TYR A 38 7.456 3.774 4.419 1.00 0.00 O ATOM 0 H TYR A 38 3.390 5.929 8.860 1.00 0.00 H new ATOM 0 HA TYR A 38 2.042 6.429 6.276 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.586 4.016 8.099 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.739 3.898 6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.732 6.003 7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.220 2.499 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.937 5.696 6.053 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.434 2.203 4.163 1.00 0.00 H new ATOM 0 HH TYR A 38 8.172 3.656 5.077 1.00 0.00 H new ATOM 504 N PRO A 39 -0.345 6.044 6.909 1.00 0.00 N ATOM 505 CA PRO A 39 -0.056 6.093 5.486 1.00 0.00 C ATOM 506 C PRO A 39 0.481 7.468 5.082 1.00 0.00 C ATOM 507 O PRO A 39 0.736 8.314 5.938 1.00 0.00 O ATOM 508 CB PRO A 39 -1.371 5.746 4.805 1.00 0.00 C ATOM 509 CG PRO A 39 -2.452 5.972 5.850 1.00 0.00 C ATOM 510 CD PRO A 39 -1.774 6.100 7.203 1.00 0.00 C ATOM 0 HA PRO A 39 0.727 5.394 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.536 6.375 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.371 4.712 4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.021 6.873 5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.158 5.142 5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.041 7.037 7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.072 5.294 7.873 1.00 0.00 H new ATOM 518 N HIS A 40 0.637 7.647 3.779 1.00 0.00 N ATOM 519 CA HIS A 40 1.141 8.904 3.251 1.00 0.00 C ATOM 520 C HIS A 40 1.222 8.825 1.726 1.00 0.00 C ATOM 521 O HIS A 40 1.036 7.757 1.145 1.00 0.00 O ATOM 522 CB HIS A 40 2.478 9.270 3.899 1.00 0.00 C ATOM 523 CG HIS A 40 3.626 8.384 3.479 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.244 8.494 2.245 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.261 7.373 4.140 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.207 7.585 2.177 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.214 6.891 3.352 1.00 0.00 N ATOM 0 H HIS A 40 0.423 6.943 3.073 1.00 0.00 H new ATOM 0 HA HIS A 40 0.451 9.710 3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.720 10.303 3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.371 9.220 4.983 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.000 9.161 1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.028 7.024 5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.869 7.423 1.339 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.848 6.127 3.586 1.00 0.00 H new ATOM 536 N LYS A 41 1.503 9.970 1.120 1.00 0.00 N ATOM 537 CA LYS A 41 1.613 10.043 -0.327 1.00 0.00 C ATOM 538 C LYS A 41 2.624 9.003 -0.811 1.00 0.00 C ATOM 539 O LYS A 41 3.347 8.414 -0.009 1.00 0.00 O ATOM 540 CB LYS A 41 1.941 11.471 -0.768 1.00 0.00 C ATOM 541 CG LYS A 41 1.026 11.916 -1.910 1.00 0.00 C ATOM 542 CD LYS A 41 1.830 12.180 -3.185 1.00 0.00 C ATOM 543 CE LYS A 41 0.967 12.866 -4.246 1.00 0.00 C ATOM 544 NZ LYS A 41 1.089 14.337 -4.140 1.00 0.00 N ATOM 0 H LYS A 41 1.658 10.854 1.605 1.00 0.00 H new ATOM 0 HA LYS A 41 0.658 9.801 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.831 12.151 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.981 11.527 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.277 11.148 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.490 12.820 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.692 12.805 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.215 11.239 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.274 12.540 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.075 12.572 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.497 14.788 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.774 14.644 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.081 14.614 -4.281 1.00 0.00 H new ATOM 558 N TYR A 42 2.642 8.806 -2.121 1.00 0.00 N ATOM 559 CA TYR A 42 3.553 7.846 -2.722 1.00 0.00 C ATOM 560 C TYR A 42 3.743 8.131 -4.214 1.00 0.00 C ATOM 561 O TYR A 42 4.781 7.800 -4.784 1.00 0.00 O ATOM 562 CB TYR A 42 2.891 6.477 -2.556 1.00 0.00 C ATOM 563 CG TYR A 42 3.471 5.391 -3.464 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.259 5.445 -4.827 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.209 4.359 -2.922 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.805 4.423 -5.683 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.755 3.337 -3.777 1.00 0.00 C ATOM 568 CZ TYR A 42 4.526 3.420 -5.115 1.00 0.00 C ATOM 569 OH TYR A 42 5.042 2.455 -5.923 1.00 0.00 O ATOM 0 H TYR A 42 2.040 9.295 -2.784 1.00 0.00 H new ATOM 0 HA TYR A 42 4.533 7.897 -2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.991 6.160 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.824 6.574 -2.758 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.683 6.254 -5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.377 4.318 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.645 4.453 -6.751 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.333 2.523 -3.365 1.00 0.00 H new ATOM 0 HH TYR A 42 5.593 2.871 -6.619 1.00 0.00 H new ATOM 579 N ASN A 43 2.724 8.741 -4.801 1.00 0.00 N ATOM 580 CA ASN A 43 2.767 9.072 -6.216 1.00 0.00 C ATOM 581 C ASN A 43 3.121 7.820 -7.019 1.00 0.00 C ATOM 582 O ASN A 43 2.290 6.928 -7.183 1.00 0.00 O ATOM 583 CB ASN A 43 3.831 10.133 -6.501 1.00 0.00 C ATOM 584 CG ASN A 43 3.290 11.539 -6.234 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.714 12.075 -5.093 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 2.537 12.100 -7.013 1.00 0.00 N flip ATOM 0 H ASN A 43 1.865 9.014 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 43 1.788 9.457 -6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.706 9.952 -5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.157 10.056 -7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.250 11.631 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.194 13.038 -6.805 1.00 0.00 H new ATOM 593 N ASN A 44 4.355 7.792 -7.499 1.00 0.00 N ATOM 594 CA ASN A 44 4.829 6.663 -8.281 1.00 0.00 C ATOM 595 C ASN A 44 5.927 7.136 -9.237 1.00 0.00 C ATOM 596 O ASN A 44 6.134 8.337 -9.405 1.00 0.00 O ATOM 597 CB ASN A 44 3.700 6.060 -9.119 1.00 0.00 C ATOM 598 CG ASN A 44 3.525 6.822 -10.434 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.170 6.281 -11.463 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 2.850 7.836 -10.509 1.00 0.00 N flip ATOM 0 H ASN A 44 5.042 8.534 -7.361 1.00 0.00 H new ATOM 0 HA ASN A 44 5.207 5.909 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.917 5.012 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.769 6.086 -8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.380 8.199 -9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.755 8.321 -11.401 1.00 0.00 H new ATOM 607 N TYR A 45 6.601 6.167 -9.840 1.00 0.00 N ATOM 608 CA TYR A 45 7.671 6.469 -10.774 1.00 0.00 C ATOM 609 C TYR A 45 8.380 5.190 -11.227 1.00 0.00 C ATOM 610 O TYR A 45 8.626 5.002 -12.418 1.00 0.00 O ATOM 611 CB TYR A 45 8.665 7.345 -10.008 1.00 0.00 C ATOM 612 CG TYR A 45 8.515 8.842 -10.286 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.475 9.299 -11.068 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.421 9.736 -9.752 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.334 10.708 -11.329 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.281 11.146 -10.011 1.00 0.00 C ATOM 617 CZ TYR A 45 8.244 11.562 -10.788 1.00 0.00 C ATOM 618 OH TYR A 45 8.111 12.893 -11.033 1.00 0.00 O ATOM 0 H TYR A 45 6.426 5.172 -9.699 1.00 0.00 H new ATOM 0 HA TYR A 45 7.277 6.963 -11.662 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.540 7.170 -8.939 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.679 7.037 -10.265 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.766 8.599 -11.485 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.235 9.378 -9.140 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.524 11.078 -11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.982 11.856 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 45 8.831 13.382 -10.582 1.00 0.00 H new ATOM 628 N GLU A 46 8.688 4.346 -10.254 1.00 0.00 N ATOM 629 CA GLU A 46 9.364 3.092 -10.537 1.00 0.00 C ATOM 630 C GLU A 46 8.727 2.408 -11.750 1.00 0.00 C ATOM 631 O GLU A 46 9.342 1.543 -12.372 1.00 0.00 O ATOM 632 CB GLU A 46 9.345 2.170 -9.316 1.00 0.00 C ATOM 633 CG GLU A 46 10.097 2.801 -8.142 1.00 0.00 C ATOM 634 CD GLU A 46 10.834 4.069 -8.580 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.986 3.924 -9.042 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.228 5.154 -8.443 1.00 0.00 O ATOM 0 H GLU A 46 8.482 4.506 -9.268 1.00 0.00 H new ATOM 0 HA GLU A 46 10.406 3.309 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.314 1.966 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.799 1.213 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.395 3.042 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.810 2.084 -7.735 1.00 0.00 H new ATOM 643 N GLY A 47 7.505 2.822 -12.047 1.00 0.00 N ATOM 644 CA GLY A 47 6.779 2.261 -13.174 1.00 0.00 C ATOM 645 C GLY A 47 5.580 1.436 -12.697 1.00 0.00 C ATOM 646 O GLY A 47 5.463 0.258 -13.029 1.00 0.00 O ATOM 0 H GLY A 47 6.999 3.539 -11.527 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.436 3.064 -13.827 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.446 1.633 -13.765 1.00 0.00 H new ATOM 650 N PHE A 48 4.723 2.088 -11.926 1.00 0.00 N ATOM 651 CA PHE A 48 3.539 1.431 -11.402 1.00 0.00 C ATOM 652 C PHE A 48 2.300 1.793 -12.223 1.00 0.00 C ATOM 653 O PHE A 48 2.110 2.952 -12.587 1.00 0.00 O ATOM 654 CB PHE A 48 3.349 1.929 -9.968 1.00 0.00 C ATOM 655 CG PHE A 48 4.419 1.439 -8.991 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.348 0.180 -8.480 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.443 2.261 -8.635 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.342 -0.275 -7.573 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.436 1.805 -7.729 1.00 0.00 C ATOM 660 CZ PHE A 48 6.366 0.547 -7.217 1.00 0.00 C ATOM 0 H PHE A 48 4.825 3.065 -11.652 1.00 0.00 H new ATOM 0 HA PHE A 48 3.665 0.349 -11.444 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.346 3.019 -9.970 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.371 1.608 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.536 -0.473 -8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.500 3.260 -9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.285 -1.274 -7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.248 2.458 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.123 0.201 -6.528 1.00 0.00 H new ATOM 670 N ASP A 49 1.489 0.779 -12.491 1.00 0.00 N ATOM 671 CA ASP A 49 0.275 0.977 -13.264 1.00 0.00 C ATOM 672 C ASP A 49 -0.911 1.130 -12.309 1.00 0.00 C ATOM 673 O ASP A 49 -1.743 0.231 -12.198 1.00 0.00 O ATOM 674 CB ASP A 49 -0.002 -0.223 -14.171 1.00 0.00 C ATOM 675 CG ASP A 49 1.242 -0.982 -14.636 1.00 0.00 C ATOM 676 OD1 ASP A 49 1.806 -1.716 -13.796 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.601 -0.813 -15.822 1.00 0.00 O ATOM 0 H ASP A 49 1.649 -0.181 -12.187 1.00 0.00 H new ATOM 0 HA ASP A 49 0.406 1.869 -13.876 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.656 -0.916 -13.642 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.548 0.122 -15.049 1.00 0.00 H new ATOM 682 N PHE A 50 -0.951 2.276 -11.645 1.00 0.00 N ATOM 683 CA PHE A 50 -2.021 2.559 -10.704 1.00 0.00 C ATOM 684 C PHE A 50 -3.306 2.949 -11.437 1.00 0.00 C ATOM 685 O PHE A 50 -3.443 4.079 -11.900 1.00 0.00 O ATOM 686 CB PHE A 50 -1.560 3.739 -9.845 1.00 0.00 C ATOM 687 CG PHE A 50 -0.404 3.406 -8.901 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.030 2.122 -8.782 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.191 4.394 -8.179 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.103 1.814 -7.904 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.264 4.086 -7.302 1.00 0.00 C ATOM 692 CZ PHE A 50 1.699 2.802 -7.184 1.00 0.00 C ATOM 0 H PHE A 50 -0.259 3.019 -11.740 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.231 1.675 -10.102 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.257 4.556 -10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.404 4.099 -9.257 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.441 1.337 -9.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.153 5.413 -8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.446 0.794 -7.808 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.735 4.871 -6.729 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.517 2.568 -6.519 1.00 0.00 H new ATOM 702 N SER A 51 -4.216 1.989 -11.519 1.00 0.00 N ATOM 703 CA SER A 51 -5.486 2.217 -12.187 1.00 0.00 C ATOM 704 C SER A 51 -6.366 3.139 -11.340 1.00 0.00 C ATOM 705 O SER A 51 -7.588 3.003 -11.334 1.00 0.00 O ATOM 706 CB SER A 51 -6.210 0.897 -12.460 1.00 0.00 C ATOM 707 OG SER A 51 -6.617 0.253 -11.256 1.00 0.00 O ATOM 0 H SER A 51 -4.099 1.052 -11.134 1.00 0.00 H new ATOM 0 HA SER A 51 -5.286 2.696 -13.146 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.084 1.085 -13.084 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.554 0.233 -13.022 1.00 0.00 H new ATOM 0 HG SER A 51 -7.077 -0.585 -11.473 1.00 0.00 H new ATOM 713 N VAL A 52 -5.708 4.056 -10.646 1.00 0.00 N ATOM 714 CA VAL A 52 -6.415 5.000 -9.796 1.00 0.00 C ATOM 715 C VAL A 52 -5.811 6.394 -9.979 1.00 0.00 C ATOM 716 O VAL A 52 -4.620 6.527 -10.257 1.00 0.00 O ATOM 717 CB VAL A 52 -6.386 4.521 -8.343 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.990 3.122 -8.216 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.963 4.557 -7.784 1.00 0.00 C ATOM 0 H VAL A 52 -4.694 4.166 -10.655 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.465 5.060 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.996 5.204 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.957 2.805 -7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.025 3.140 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.419 2.422 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.969 4.212 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.322 3.907 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.582 5.578 -7.824 1.00 0.00 H new ATOM 729 N SER A 53 -6.660 7.398 -9.812 1.00 0.00 N ATOM 730 CA SER A 53 -6.225 8.777 -9.955 1.00 0.00 C ATOM 731 C SER A 53 -5.650 9.284 -8.631 1.00 0.00 C ATOM 732 O SER A 53 -6.268 9.127 -7.581 1.00 0.00 O ATOM 733 CB SER A 53 -7.378 9.674 -10.410 1.00 0.00 C ATOM 734 OG SER A 53 -7.537 9.661 -11.827 1.00 0.00 O ATOM 0 H SER A 53 -7.646 7.284 -9.579 1.00 0.00 H new ATOM 0 HA SER A 53 -5.449 8.813 -10.719 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.303 9.343 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.197 10.695 -10.075 1.00 0.00 H new ATOM 0 HG SER A 53 -8.284 10.244 -12.078 1.00 0.00 H new ATOM 740 N SER A 54 -4.470 9.882 -8.727 1.00 0.00 N ATOM 741 CA SER A 54 -3.804 10.413 -7.549 1.00 0.00 C ATOM 742 C SER A 54 -4.816 11.130 -6.653 1.00 0.00 C ATOM 743 O SER A 54 -5.964 11.335 -7.047 1.00 0.00 O ATOM 744 CB SER A 54 -2.671 11.365 -7.939 1.00 0.00 C ATOM 745 OG SER A 54 -3.094 12.726 -7.938 1.00 0.00 O ATOM 0 H SER A 54 -3.959 10.010 -9.601 1.00 0.00 H new ATOM 0 HA SER A 54 -3.368 9.580 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.840 11.243 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.300 11.101 -8.929 1.00 0.00 H new ATOM 0 HG SER A 54 -2.343 13.302 -8.190 1.00 0.00 H new ATOM 751 N PRO A 55 -4.342 11.505 -5.436 1.00 0.00 N ATOM 752 CA PRO A 55 -2.970 11.226 -5.048 1.00 0.00 C ATOM 753 C PRO A 55 -2.788 9.746 -4.704 1.00 0.00 C ATOM 754 O PRO A 55 -3.736 9.078 -4.295 1.00 0.00 O ATOM 755 CB PRO A 55 -2.697 12.147 -3.871 1.00 0.00 C ATOM 756 CG PRO A 55 -4.061 12.569 -3.348 1.00 0.00 C ATOM 757 CD PRO A 55 -5.097 12.200 -4.397 1.00 0.00 C ATOM 0 HA PRO A 55 -2.260 11.412 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.124 11.634 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.112 13.013 -4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.279 12.070 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.080 13.641 -3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.874 11.561 -3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.592 13.086 -4.793 1.00 0.00 H new ATOM 765 N TYR A 56 -1.561 9.276 -4.881 1.00 0.00 N ATOM 766 CA TYR A 56 -1.242 7.888 -4.594 1.00 0.00 C ATOM 767 C TYR A 56 -0.694 7.734 -3.174 1.00 0.00 C ATOM 768 O TYR A 56 0.405 8.198 -2.875 1.00 0.00 O ATOM 769 CB TYR A 56 -0.155 7.490 -5.594 1.00 0.00 C ATOM 770 CG TYR A 56 -0.623 7.478 -7.051 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.805 6.851 -7.390 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.137 8.092 -8.025 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.245 6.840 -8.761 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.304 8.081 -9.395 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.473 7.456 -9.696 1.00 0.00 C ATOM 776 OH TYR A 56 -1.889 7.444 -10.991 1.00 0.00 O ATOM 0 H TYR A 56 -0.776 9.833 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.132 7.265 -4.675 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.683 8.181 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.217 6.499 -5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.399 6.369 -6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.063 8.581 -7.760 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.168 6.353 -9.041 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.281 8.559 -10.167 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.823 7.149 -11.032 1.00 0.00 H new ATOM 786 N TYR A 57 -1.486 7.080 -2.336 1.00 0.00 N ATOM 787 CA TYR A 57 -1.094 6.858 -0.956 1.00 0.00 C ATOM 788 C TYR A 57 -0.423 5.493 -0.788 1.00 0.00 C ATOM 789 O TYR A 57 -0.767 4.538 -1.483 1.00 0.00 O ATOM 790 CB TYR A 57 -2.389 6.880 -0.140 1.00 0.00 C ATOM 791 CG TYR A 57 -3.185 8.179 -0.273 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.562 9.328 -0.717 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.527 8.203 0.052 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.313 10.551 -0.842 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.276 9.427 -0.073 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.631 10.541 -0.513 1.00 0.00 C ATOM 797 OH TYR A 57 -5.340 11.695 -0.631 1.00 0.00 O ATOM 0 H TYR A 57 -2.397 6.697 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.383 7.618 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.018 6.047 -0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.147 6.720 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.512 9.310 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.015 7.304 0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.838 11.457 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.326 9.460 0.177 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.731 11.929 0.237 1.00 0.00 H new ATOM 807 N GLU A 58 0.523 5.444 0.139 1.00 0.00 N ATOM 808 CA GLU A 58 1.245 4.211 0.407 1.00 0.00 C ATOM 809 C GLU A 58 0.878 3.671 1.790 1.00 0.00 C ATOM 810 O GLU A 58 0.812 4.427 2.759 1.00 0.00 O ATOM 811 CB GLU A 58 2.755 4.423 0.284 1.00 0.00 C ATOM 812 CG GLU A 58 3.245 5.471 1.285 1.00 0.00 C ATOM 813 CD GLU A 58 3.277 4.900 2.704 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.893 3.826 2.870 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.684 5.552 3.591 1.00 0.00 O ATOM 0 H GLU A 58 0.806 6.238 0.714 1.00 0.00 H new ATOM 0 HA GLU A 58 0.953 3.472 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.273 3.480 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.000 4.741 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.242 5.810 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.591 6.342 1.254 1.00 0.00 H new ATOM 822 N TRP A 59 0.648 2.367 1.839 1.00 0.00 N ATOM 823 CA TRP A 59 0.289 1.717 3.088 1.00 0.00 C ATOM 824 C TRP A 59 0.709 0.249 2.995 1.00 0.00 C ATOM 825 O TRP A 59 0.618 -0.360 1.929 1.00 0.00 O ATOM 826 CB TRP A 59 -1.201 1.894 3.391 1.00 0.00 C ATOM 827 CG TRP A 59 -1.705 1.040 4.555 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.382 -0.115 4.499 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.543 1.322 5.961 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.668 -0.596 5.760 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.141 0.306 6.678 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.913 2.401 6.606 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.168 0.267 8.077 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.948 2.348 8.005 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.546 1.331 8.741 1.00 0.00 C ATOM 0 H TRP A 59 0.703 1.743 1.034 1.00 0.00 H new ATOM 0 HA TRP A 59 0.813 2.177 3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.394 2.943 3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.775 1.647 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.668 -0.608 3.581 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.173 -1.455 5.979 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.439 3.207 6.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.643 -0.540 8.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.478 3.153 8.550 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.531 1.362 9.820 1.00 0.00 H new ATOM 846 N PRO A 60 1.172 -0.292 4.154 1.00 0.00 N ATOM 847 CA PRO A 60 1.606 -1.677 4.212 1.00 0.00 C ATOM 848 C PRO A 60 0.408 -2.628 4.207 1.00 0.00 C ATOM 849 O PRO A 60 -0.679 -2.266 4.655 1.00 0.00 O ATOM 850 CB PRO A 60 2.436 -1.775 5.482 1.00 0.00 C ATOM 851 CG PRO A 60 2.053 -0.570 6.325 1.00 0.00 C ATOM 852 CD PRO A 60 1.292 0.399 5.434 1.00 0.00 C ATOM 0 HA PRO A 60 2.194 -1.970 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.229 -2.704 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.502 -1.769 5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.437 -0.876 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.943 -0.093 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.313 0.634 5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.828 1.342 5.326 1.00 0.00 H new ATOM 860 N ILE A 61 0.647 -3.826 3.694 1.00 0.00 N ATOM 861 CA ILE A 61 -0.399 -4.833 3.623 1.00 0.00 C ATOM 862 C ILE A 61 -0.007 -6.032 4.488 1.00 0.00 C ATOM 863 O ILE A 61 1.112 -6.533 4.388 1.00 0.00 O ATOM 864 CB ILE A 61 -0.697 -5.196 2.167 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.018 -5.958 2.050 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.468 -5.969 1.546 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.549 -5.919 0.616 1.00 0.00 C ATOM 0 H ILE A 61 1.550 -4.122 3.323 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.333 -4.440 4.026 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.809 -4.271 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.873 -6.993 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.754 -5.523 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.231 -6.215 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.369 -5.356 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.636 -6.888 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.489 -6.468 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.716 -4.884 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.821 -6.377 -0.054 1.00 0.00 H new ATOM 879 N LEU A 62 -0.948 -6.456 5.317 1.00 0.00 N ATOM 880 CA LEU A 62 -0.715 -7.587 6.199 1.00 0.00 C ATOM 881 C LEU A 62 -1.231 -8.864 5.532 1.00 0.00 C ATOM 882 O LEU A 62 -2.405 -8.951 5.176 1.00 0.00 O ATOM 883 CB LEU A 62 -1.322 -7.325 7.579 1.00 0.00 C ATOM 884 CG LEU A 62 -0.642 -6.241 8.417 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.518 -5.834 9.602 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.754 -6.686 8.860 1.00 0.00 C ATOM 0 H LEU A 62 -1.874 -6.037 5.397 1.00 0.00 H new ATOM 0 HA LEU A 62 0.353 -7.724 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.369 -7.051 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.305 -8.257 8.144 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.515 -5.356 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.011 -5.062 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.469 -5.447 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.700 -6.702 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.216 -5.897 9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.674 -7.593 9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.368 -6.885 7.982 1.00 0.00 H new ATOM 898 N SER A 63 -0.328 -9.822 5.383 1.00 0.00 N ATOM 899 CA SER A 63 -0.678 -11.090 4.765 1.00 0.00 C ATOM 900 C SER A 63 -1.757 -11.794 5.591 1.00 0.00 C ATOM 901 O SER A 63 -2.319 -12.799 5.157 1.00 0.00 O ATOM 902 CB SER A 63 0.551 -11.989 4.619 1.00 0.00 C ATOM 903 OG SER A 63 1.201 -12.210 5.868 1.00 0.00 O ATOM 0 H SER A 63 0.645 -9.746 5.679 1.00 0.00 H new ATOM 0 HA SER A 63 -1.067 -10.889 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.252 -12.946 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.253 -11.533 3.920 1.00 0.00 H new ATOM 0 HG SER A 63 1.980 -12.790 5.734 1.00 0.00 H new ATOM 909 N SER A 64 -2.013 -11.240 6.766 1.00 0.00 N ATOM 910 CA SER A 64 -3.014 -11.803 7.657 1.00 0.00 C ATOM 911 C SER A 64 -4.376 -11.157 7.389 1.00 0.00 C ATOM 912 O SER A 64 -5.399 -11.631 7.879 1.00 0.00 O ATOM 913 CB SER A 64 -2.617 -11.616 9.122 1.00 0.00 C ATOM 914 OG SER A 64 -1.203 -11.572 9.289 1.00 0.00 O ATOM 0 H SER A 64 -1.545 -10.407 7.123 1.00 0.00 H new ATOM 0 HA SER A 64 -3.081 -12.873 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.056 -10.694 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.027 -12.433 9.716 1.00 0.00 H new ATOM 0 HG SER A 64 -0.989 -11.450 10.238 1.00 0.00 H new ATOM 920 N GLY A 65 -4.342 -10.084 6.613 1.00 0.00 N ATOM 921 CA GLY A 65 -5.560 -9.367 6.274 1.00 0.00 C ATOM 922 C GLY A 65 -5.977 -8.426 7.408 1.00 0.00 C ATOM 923 O GLY A 65 -7.166 -8.225 7.647 1.00 0.00 O ATOM 0 H GLY A 65 -3.491 -9.694 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.406 -8.794 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.361 -10.078 6.074 1.00 0.00 H new ATOM 927 N ASP A 66 -4.973 -7.877 8.076 1.00 0.00 N ATOM 928 CA ASP A 66 -5.219 -6.963 9.179 1.00 0.00 C ATOM 929 C ASP A 66 -4.704 -5.571 8.806 1.00 0.00 C ATOM 930 O ASP A 66 -4.465 -5.287 7.633 1.00 0.00 O ATOM 931 CB ASP A 66 -4.487 -7.415 10.443 1.00 0.00 C ATOM 932 CG ASP A 66 -5.053 -8.675 11.102 1.00 0.00 C ATOM 933 OD1 ASP A 66 -6.088 -8.540 11.790 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.437 -9.745 10.904 1.00 0.00 O ATOM 0 H ASP A 66 -3.988 -8.047 7.875 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.292 -6.947 9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.440 -7.592 10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.510 -6.602 11.169 1.00 0.00 H new ATOM 939 N VAL A 67 -4.549 -4.740 9.826 1.00 0.00 N ATOM 940 CA VAL A 67 -4.066 -3.385 9.621 1.00 0.00 C ATOM 941 C VAL A 67 -2.696 -3.231 10.284 1.00 0.00 C ATOM 942 O VAL A 67 -2.548 -3.483 11.479 1.00 0.00 O ATOM 943 CB VAL A 67 -5.097 -2.379 10.138 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.453 -1.014 10.388 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.278 -2.261 9.173 1.00 0.00 C ATOM 0 H VAL A 67 -4.749 -4.979 10.797 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.937 -3.182 8.558 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.478 -2.748 11.090 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.207 -0.318 10.755 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.661 -1.116 11.130 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.031 -0.635 9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.996 -1.540 9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.920 -1.926 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.760 -3.233 9.068 1.00 0.00 H new ATOM 955 N TYR A 68 -1.729 -2.817 9.479 1.00 0.00 N ATOM 956 CA TYR A 68 -0.375 -2.625 9.973 1.00 0.00 C ATOM 957 C TYR A 68 -0.286 -1.383 10.862 1.00 0.00 C ATOM 958 O TYR A 68 -0.260 -0.259 10.363 1.00 0.00 O ATOM 959 CB TYR A 68 0.499 -2.415 8.735 1.00 0.00 C ATOM 960 CG TYR A 68 1.481 -3.557 8.466 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.488 -3.829 9.371 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.362 -4.315 7.319 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.413 -4.903 9.118 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.287 -5.389 7.066 1.00 0.00 C ATOM 965 CZ TYR A 68 3.266 -5.631 7.978 1.00 0.00 C ATOM 966 OH TYR A 68 4.139 -6.645 7.740 1.00 0.00 O ATOM 0 H TYR A 68 -1.855 -2.609 8.488 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.059 -3.482 10.568 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.145 -2.291 7.865 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.059 -1.487 8.852 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.582 -3.236 10.269 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.575 -4.103 6.611 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.205 -5.126 9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.205 -5.989 6.172 1.00 0.00 H new ATOM 0 HH TYR A 68 3.913 -7.078 6.890 1.00 0.00 H new ATOM 976 N SER A 69 -0.242 -1.628 12.163 1.00 0.00 N ATOM 977 CA SER A 69 -0.157 -0.543 13.126 1.00 0.00 C ATOM 978 C SER A 69 1.293 -0.360 13.581 1.00 0.00 C ATOM 979 O SER A 69 1.844 0.735 13.485 1.00 0.00 O ATOM 980 CB SER A 69 -1.063 -0.804 14.332 1.00 0.00 C ATOM 981 OG SER A 69 -0.827 -2.086 14.909 1.00 0.00 O ATOM 0 H SER A 69 -0.264 -2.562 12.573 1.00 0.00 H new ATOM 0 HA SER A 69 -0.498 0.372 12.641 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.898 -0.032 15.084 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.106 -0.731 14.024 1.00 0.00 H new ATOM 0 HG SER A 69 -1.423 -2.214 15.676 1.00 0.00 H new ATOM 987 N GLY A 70 1.869 -1.450 14.067 1.00 0.00 N ATOM 988 CA GLY A 70 3.243 -1.423 14.538 1.00 0.00 C ATOM 989 C GLY A 70 4.114 -0.545 13.636 1.00 0.00 C ATOM 990 O GLY A 70 4.946 0.217 14.124 1.00 0.00 O ATOM 0 H GLY A 70 1.409 -2.357 14.145 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.274 -1.044 15.560 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.643 -2.437 14.561 1.00 0.00 H new ATOM 994 N GLY A 71 3.891 -0.681 12.338 1.00 0.00 N ATOM 995 CA GLY A 71 4.645 0.091 11.364 1.00 0.00 C ATOM 996 C GLY A 71 5.964 -0.602 11.018 1.00 0.00 C ATOM 997 O GLY A 71 6.973 0.060 10.778 1.00 0.00 O ATOM 0 H GLY A 71 3.199 -1.314 11.937 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.051 0.222 10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.846 1.086 11.760 1.00 0.00 H new ATOM 1001 N SER A 72 5.914 -1.927 11.003 1.00 0.00 N ATOM 1002 CA SER A 72 7.093 -2.716 10.690 1.00 0.00 C ATOM 1003 C SER A 72 6.788 -3.681 9.543 1.00 0.00 C ATOM 1004 O SER A 72 7.185 -4.844 9.583 1.00 0.00 O ATOM 1005 CB SER A 72 7.580 -3.489 11.917 1.00 0.00 C ATOM 1006 OG SER A 72 8.722 -4.289 11.626 1.00 0.00 O ATOM 0 H SER A 72 5.076 -2.473 11.202 1.00 0.00 H new ATOM 0 HA SER A 72 7.887 -2.036 10.383 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.823 -2.787 12.715 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.776 -4.126 12.287 1.00 0.00 H new ATOM 0 HG SER A 72 8.518 -4.892 10.881 1.00 0.00 H new ATOM 1012 N PRO A 73 6.065 -3.148 8.521 1.00 0.00 N ATOM 1013 CA PRO A 73 5.701 -3.949 7.364 1.00 0.00 C ATOM 1014 C PRO A 73 6.907 -4.165 6.446 1.00 0.00 C ATOM 1015 O PRO A 73 7.054 -5.230 5.850 1.00 0.00 O ATOM 1016 CB PRO A 73 4.573 -3.182 6.694 1.00 0.00 C ATOM 1017 CG PRO A 73 4.660 -1.762 7.228 1.00 0.00 C ATOM 1018 CD PRO A 73 5.577 -1.774 8.441 1.00 0.00 C ATOM 0 HA PRO A 73 5.376 -4.954 7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.680 -3.199 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.606 -3.628 6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.048 -1.090 6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.670 -1.396 7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.399 -1.068 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.040 -1.491 9.346 1.00 0.00 H new ATOM 1026 N GLY A 74 7.737 -3.136 6.361 1.00 0.00 N ATOM 1027 CA GLY A 74 8.924 -3.199 5.526 1.00 0.00 C ATOM 1028 C GLY A 74 8.841 -4.370 4.544 1.00 0.00 C ATOM 1029 O GLY A 74 9.252 -5.483 4.864 1.00 0.00 O ATOM 0 H GLY A 74 7.611 -2.254 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.036 -2.265 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.809 -3.307 6.153 1.00 0.00 H new ATOM 1033 N ALA A 75 8.306 -4.076 3.368 1.00 0.00 N ATOM 1034 CA ALA A 75 8.164 -5.090 2.336 1.00 0.00 C ATOM 1035 C ALA A 75 6.826 -4.899 1.621 1.00 0.00 C ATOM 1036 O ALA A 75 6.717 -4.083 0.707 1.00 0.00 O ATOM 1037 CB ALA A 75 8.298 -6.479 2.964 1.00 0.00 C ATOM 0 H ALA A 75 7.966 -3.151 3.107 1.00 0.00 H new ATOM 0 HA ALA A 75 8.953 -4.993 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.192 -7.240 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.277 -6.573 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.521 -6.615 3.716 1.00 0.00 H new ATOM 1043 N ASP A 76 5.840 -5.666 2.064 1.00 0.00 N ATOM 1044 CA ASP A 76 4.513 -5.591 1.477 1.00 0.00 C ATOM 1045 C ASP A 76 3.891 -4.231 1.802 1.00 0.00 C ATOM 1046 O ASP A 76 3.847 -3.827 2.963 1.00 0.00 O ATOM 1047 CB ASP A 76 3.597 -6.678 2.046 1.00 0.00 C ATOM 1048 CG ASP A 76 4.194 -8.087 2.054 1.00 0.00 C ATOM 1049 OD1 ASP A 76 5.093 -8.327 1.220 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.736 -8.891 2.894 1.00 0.00 O ATOM 0 H ASP A 76 5.934 -6.342 2.822 1.00 0.00 H new ATOM 0 HA ASP A 76 4.613 -5.730 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.328 -6.408 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.674 -6.694 1.467 1.00 0.00 H new ATOM 1055 N ARG A 77 3.427 -3.564 0.757 1.00 0.00 N ATOM 1056 CA ARG A 77 2.811 -2.257 0.916 1.00 0.00 C ATOM 1057 C ARG A 77 1.764 -2.027 -0.176 1.00 0.00 C ATOM 1058 O ARG A 77 2.001 -2.337 -1.343 1.00 0.00 O ATOM 1059 CB ARG A 77 3.857 -1.143 0.855 1.00 0.00 C ATOM 1060 CG ARG A 77 4.981 -1.389 1.863 1.00 0.00 C ATOM 1061 CD ARG A 77 4.796 -0.526 3.112 1.00 0.00 C ATOM 1062 NE ARG A 77 6.006 0.294 3.344 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.953 -0.001 4.243 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.838 -1.101 5.002 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.016 0.802 4.385 1.00 0.00 N ATOM 0 H ARG A 77 3.465 -3.904 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 77 2.331 -2.234 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.273 -1.084 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.383 -0.183 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.999 -2.442 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.943 -1.166 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.926 0.120 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.605 -1.160 3.978 1.00 0.00 H new ATOM 0 HE ARG A 77 6.126 1.138 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.029 -1.713 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.560 -1.326 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.104 1.639 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.737 0.577 5.070 1.00 0.00 H new ATOM 1079 N VAL A 78 0.630 -1.484 0.240 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.453 -1.208 -0.688 1.00 0.00 C ATOM 1081 C VAL A 78 -0.531 0.299 -0.941 1.00 0.00 C ATOM 1082 O VAL A 78 -0.484 1.092 -0.002 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.762 -1.794 -0.155 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.777 -1.798 1.375 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.969 -1.038 -0.715 1.00 0.00 C ATOM 0 H VAL A 78 0.437 -1.227 1.208 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.265 -1.689 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.829 -2.828 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.718 -2.219 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.948 -2.401 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.676 -0.777 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.887 -1.474 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.910 0.010 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.971 -1.110 -1.803 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.650 0.648 -2.214 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.734 2.046 -2.601 1.00 0.00 C ATOM 1097 C VAL A 79 -2.161 2.358 -3.058 1.00 0.00 C ATOM 1098 O VAL A 79 -2.782 1.557 -3.756 1.00 0.00 O ATOM 1099 CB VAL A 79 0.317 2.358 -3.667 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.113 3.761 -4.245 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.732 2.195 -3.108 1.00 0.00 C ATOM 0 H VAL A 79 -0.690 -0.013 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.516 2.692 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 79 0.194 1.641 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.874 3.957 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.876 3.827 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.195 4.499 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.459 2.423 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.873 2.877 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.873 1.169 -2.769 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.639 3.522 -2.646 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.980 3.950 -3.005 1.00 0.00 C ATOM 1113 C PHE A 80 -4.091 5.476 -2.993 1.00 0.00 C ATOM 1114 O PHE A 80 -3.275 6.156 -2.373 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.929 3.373 -1.953 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.900 4.115 -0.615 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.784 4.073 0.162 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.989 4.817 -0.202 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.757 4.762 1.403 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.962 5.506 1.039 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.847 5.464 1.816 1.00 0.00 C ATOM 0 H PHE A 80 -2.121 4.183 -2.066 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.225 3.603 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.946 3.393 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.673 2.327 -1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.919 3.516 -0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.875 4.850 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.871 4.729 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.827 6.064 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.827 5.988 2.760 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.107 5.969 -3.686 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.336 7.402 -3.763 1.00 0.00 C ATOM 1133 C ASN A 81 -6.425 7.795 -2.763 1.00 0.00 C ATOM 1134 O ASN A 81 -6.233 7.679 -1.554 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.807 7.810 -5.160 1.00 0.00 C ATOM 1136 CG ASN A 81 -7.271 8.254 -5.137 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.588 9.430 -5.069 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -8.141 7.251 -5.198 1.00 0.00 N ATOM 0 H ASN A 81 -5.781 5.401 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.396 7.906 -3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.183 8.621 -5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.688 6.972 -5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.143 7.443 -5.189 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.544 8.253 -3.305 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.664 8.664 -2.475 1.00 0.00 C ATOM 1147 C GLU A 82 -8.831 7.703 -1.296 1.00 0.00 C ATOM 1148 O GLU A 82 -8.742 8.113 -0.140 1.00 0.00 O ATOM 1149 CB GLU A 82 -9.951 8.754 -3.297 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.170 8.929 -2.389 1.00 0.00 C ATOM 1151 CD GLU A 82 -12.033 10.105 -2.853 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -12.937 9.854 -3.678 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -11.768 11.227 -2.370 1.00 0.00 O ATOM 0 H GLU A 82 -7.699 8.349 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.454 9.658 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.886 9.593 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.067 7.852 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.763 8.015 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.843 9.096 -1.363 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.071 6.444 -1.629 1.00 0.00 N ATOM 1161 CA ASN A 83 -9.252 5.422 -0.613 1.00 0.00 C ATOM 1162 C ASN A 83 -9.130 4.039 -1.259 1.00 0.00 C ATOM 1163 O ASN A 83 -8.098 3.381 -1.133 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.637 5.523 0.029 1.00 0.00 C ATOM 1165 CG ASN A 83 -11.679 5.996 -0.986 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -11.321 5.814 -2.254 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -12.738 6.494 -0.641 1.00 0.00 N flip ATOM 0 H ASN A 83 -9.144 6.108 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.489 5.567 0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.928 4.552 0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.602 6.216 0.870 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.950 6.605 0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.411 6.799 -1.344 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.198 3.640 -1.933 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.224 2.348 -2.597 1.00 0.00 C ATOM 1176 C ASN A 84 -9.514 2.460 -3.949 1.00 0.00 C ATOM 1177 O ASN A 84 -9.725 1.634 -4.836 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.660 1.889 -2.854 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.224 2.535 -4.121 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.222 1.959 -5.197 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.707 3.760 -3.936 1.00 0.00 N ATOM 0 H ASN A 84 -11.052 4.189 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.726 1.626 -1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.687 0.804 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.286 2.147 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.106 4.275 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.678 4.185 -3.009 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.689 3.491 -4.064 1.00 0.00 N ATOM 1189 CA GLN A 85 -7.948 3.722 -5.292 1.00 0.00 C ATOM 1190 C GLN A 85 -6.707 2.828 -5.340 1.00 0.00 C ATOM 1191 O GLN A 85 -5.658 3.241 -5.833 1.00 0.00 O ATOM 1192 CB GLN A 85 -7.566 5.196 -5.434 1.00 0.00 C ATOM 1193 CG GLN A 85 -7.860 5.964 -4.143 1.00 0.00 C ATOM 1194 CD GLN A 85 -7.267 5.245 -2.930 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -6.413 5.759 -2.226 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -7.766 4.029 -2.726 1.00 0.00 N ATOM 0 H GLN A 85 -8.518 4.175 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.591 3.464 -6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.507 5.279 -5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.120 5.641 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.446 6.970 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.937 6.070 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.479 3.659 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.435 3.467 -1.942 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.868 1.619 -4.822 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.774 0.663 -4.798 1.00 0.00 C ATOM 1207 C LEU A 86 -4.854 0.918 -5.995 1.00 0.00 C ATOM 1208 O LEU A 86 -5.260 0.746 -7.142 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.312 -0.767 -4.731 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.347 -1.869 -5.172 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -5.994 -3.250 -5.039 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -4.831 -1.611 -6.588 1.00 0.00 C ATOM 0 H LEU A 86 -7.740 1.280 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.173 0.795 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.620 -0.970 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.207 -0.826 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.483 -1.853 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.287 -4.015 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.271 -3.424 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.886 -3.296 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.147 -2.409 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.671 -1.584 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.307 -0.656 -6.616 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.632 1.325 -5.684 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.651 1.606 -6.719 1.00 0.00 C ATOM 1226 C ALA A 87 -2.051 0.290 -7.218 1.00 0.00 C ATOM 1227 O ALA A 87 -1.828 0.120 -8.415 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.588 2.560 -6.171 1.00 0.00 C ATOM 0 H ALA A 87 -3.299 1.467 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.122 2.098 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.853 2.770 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.061 3.491 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.092 2.100 -5.317 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.807 -0.607 -6.275 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.237 -1.903 -6.602 1.00 0.00 C ATOM 1236 C GLY A 88 -0.753 -2.625 -5.343 1.00 0.00 C ATOM 1237 O GLY A 88 -1.379 -2.528 -4.289 1.00 0.00 O ATOM 0 H GLY A 88 -1.994 -0.462 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.983 -2.514 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.404 -1.774 -7.294 1.00 0.00 H new ATOM 1241 N VAL A 89 0.357 -3.331 -5.495 1.00 0.00 N ATOM 1242 CA VAL A 89 0.933 -4.069 -4.383 1.00 0.00 C ATOM 1243 C VAL A 89 2.456 -4.087 -4.523 1.00 0.00 C ATOM 1244 O VAL A 89 3.013 -4.979 -5.161 1.00 0.00 O ATOM 1245 CB VAL A 89 0.321 -5.470 -4.311 1.00 0.00 C ATOM 1246 CG1 VAL A 89 1.144 -6.381 -3.399 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.138 -5.408 -3.854 1.00 0.00 C ATOM 0 H VAL A 89 0.873 -3.408 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 89 0.700 -3.579 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 89 0.339 -5.896 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.688 -7.370 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.159 -6.463 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.172 -5.960 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.549 -6.417 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.190 -4.953 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.715 -4.811 -4.560 1.00 0.00 H new ATOM 1257 N ILE A 90 3.086 -3.093 -3.915 1.00 0.00 N ATOM 1258 CA ILE A 90 4.534 -2.984 -3.964 1.00 0.00 C ATOM 1259 C ILE A 90 5.145 -3.870 -2.876 1.00 0.00 C ATOM 1260 O ILE A 90 4.454 -4.283 -1.946 1.00 0.00 O ATOM 1261 CB ILE A 90 4.965 -1.519 -3.878 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.799 -0.982 -2.455 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.216 -0.666 -4.903 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.331 0.475 -2.469 1.00 0.00 C ATOM 0 H ILE A 90 2.620 -2.356 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 90 4.911 -3.347 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 90 6.025 -1.460 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.078 -1.594 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.746 -1.058 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.541 0.371 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.428 -1.034 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.144 -0.726 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.221 0.832 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.066 1.088 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.372 0.544 -2.982 1.00 0.00 H new ATOM 1276 N THR A 91 6.434 -4.138 -3.029 1.00 0.00 N ATOM 1277 CA THR A 91 7.145 -4.966 -2.071 1.00 0.00 C ATOM 1278 C THR A 91 8.654 -4.740 -2.187 1.00 0.00 C ATOM 1279 O THR A 91 9.138 -4.275 -3.217 1.00 0.00 O ATOM 1280 CB THR A 91 6.730 -6.420 -2.304 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.768 -7.180 -1.693 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.794 -6.819 -3.780 1.00 0.00 C ATOM 0 H THR A 91 7.004 -3.796 -3.803 1.00 0.00 H new ATOM 0 HA THR A 91 6.885 -4.698 -1.047 1.00 0.00 H new ATOM 0 HB THR A 91 5.717 -6.572 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.379 -7.949 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.490 -7.860 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.124 -6.183 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.814 -6.699 -4.145 1.00 0.00 H new ATOM 1290 N HIS A 92 9.355 -5.079 -1.115 1.00 0.00 N ATOM 1291 CA HIS A 92 10.799 -4.918 -1.082 1.00 0.00 C ATOM 1292 C HIS A 92 11.468 -6.199 -1.587 1.00 0.00 C ATOM 1293 O HIS A 92 12.681 -6.230 -1.789 1.00 0.00 O ATOM 1294 CB HIS A 92 11.270 -4.514 0.316 1.00 0.00 C ATOM 1295 CG HIS A 92 11.067 -3.052 0.633 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.908 -2.343 1.472 1.00 0.00 N ATOM 1297 CD2 HIS A 92 10.111 -2.174 0.214 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.469 -1.096 1.549 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.355 -0.992 0.769 1.00 0.00 N ATOM 0 H HIS A 92 8.950 -5.465 -0.262 1.00 0.00 H new ATOM 0 HA HIS A 92 11.094 -4.107 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.738 -5.113 1.055 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.329 -4.753 0.415 1.00 0.00 H new ATOM 0 HD1 HIS A 92 12.727 -2.717 1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.294 -2.401 -0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.915 -0.301 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.801 -0.146 0.634 1.00 0.00 H new ATOM 1308 N THR A 93 10.649 -7.222 -1.777 1.00 0.00 N ATOM 1309 CA THR A 93 11.147 -8.501 -2.253 1.00 0.00 C ATOM 1310 C THR A 93 11.606 -8.386 -3.707 1.00 0.00 C ATOM 1311 O THR A 93 12.364 -9.225 -4.191 1.00 0.00 O ATOM 1312 CB THR A 93 10.047 -9.544 -2.044 1.00 0.00 C ATOM 1313 OG1 THR A 93 10.365 -10.137 -0.787 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.143 -10.704 -3.038 1.00 0.00 C ATOM 0 H THR A 93 9.643 -7.191 -1.610 1.00 0.00 H new ATOM 0 HA THR A 93 12.026 -8.817 -1.691 1.00 0.00 H new ATOM 0 HB THR A 93 9.072 -9.066 -2.137 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.701 -10.825 -0.572 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.340 -11.415 -2.846 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.053 -10.321 -4.054 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.105 -11.203 -2.923 1.00 0.00 H new ATOM 1322 N GLY A 94 11.129 -7.339 -4.365 1.00 0.00 N ATOM 1323 CA GLY A 94 11.481 -7.103 -5.754 1.00 0.00 C ATOM 1324 C GLY A 94 12.053 -5.697 -5.944 1.00 0.00 C ATOM 1325 O GLY A 94 11.831 -5.067 -6.978 1.00 0.00 O ATOM 0 H GLY A 94 10.501 -6.644 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.212 -7.844 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.599 -7.229 -6.383 1.00 0.00 H new ATOM 1329 N ALA A 95 12.775 -5.244 -4.929 1.00 0.00 N ATOM 1330 CA ALA A 95 13.379 -3.923 -4.972 1.00 0.00 C ATOM 1331 C ALA A 95 14.855 -4.029 -4.579 1.00 0.00 C ATOM 1332 O ALA A 95 15.717 -3.440 -5.228 1.00 0.00 O ATOM 1333 CB ALA A 95 12.599 -2.976 -4.057 1.00 0.00 C ATOM 0 H ALA A 95 12.955 -5.768 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 95 13.335 -3.513 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.051 -1.985 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.565 -2.914 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.625 -3.354 -3.035 1.00 0.00 H new ATOM 1339 N SER A 96 15.099 -4.785 -3.519 1.00 0.00 N ATOM 1340 CA SER A 96 16.454 -4.976 -3.032 1.00 0.00 C ATOM 1341 C SER A 96 16.913 -3.736 -2.262 1.00 0.00 C ATOM 1342 O SER A 96 17.946 -3.149 -2.581 1.00 0.00 O ATOM 1343 CB SER A 96 17.417 -5.272 -4.184 1.00 0.00 C ATOM 1344 OG SER A 96 18.624 -5.876 -3.729 1.00 0.00 O ATOM 0 H SER A 96 14.381 -5.273 -2.984 1.00 0.00 H new ATOM 0 HA SER A 96 16.458 -5.835 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.930 -5.931 -4.903 1.00 0.00 H new ATOM 0 HB3 SER A 96 17.651 -4.345 -4.708 1.00 0.00 H new ATOM 0 HG SER A 96 19.211 -6.050 -4.494 1.00 0.00 H new ATOM 1350 N GLY A 97 16.123 -3.373 -1.262 1.00 0.00 N ATOM 1351 CA GLY A 97 16.435 -2.214 -0.443 1.00 0.00 C ATOM 1352 C GLY A 97 15.158 -1.537 0.057 1.00 0.00 C ATOM 1353 O GLY A 97 14.237 -2.207 0.523 1.00 0.00 O ATOM 0 H GLY A 97 15.267 -3.862 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.046 -2.518 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.025 -1.503 -1.022 1.00 0.00 H new ATOM 1357 N ASN A 98 15.143 -0.217 -0.053 1.00 0.00 N ATOM 1358 CA ASN A 98 13.994 0.559 0.382 1.00 0.00 C ATOM 1359 C ASN A 98 13.059 0.789 -0.806 1.00 0.00 C ATOM 1360 O ASN A 98 11.931 1.247 -0.633 1.00 0.00 O ATOM 1361 CB ASN A 98 14.424 1.926 0.918 1.00 0.00 C ATOM 1362 CG ASN A 98 13.410 2.461 1.931 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.185 1.967 1.783 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.720 3.271 2.790 1.00 0.00 N flip ATOM 0 H ASN A 98 15.909 0.336 -0.438 1.00 0.00 H new ATOM 0 HA ASN A 98 13.492 0.003 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.404 1.845 1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.524 2.630 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.680 3.610 2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.019 3.609 3.449 1.00 0.00 H new ATOM 1371 N ASN A 99 13.563 0.461 -1.987 1.00 0.00 N ATOM 1372 CA ASN A 99 12.786 0.626 -3.203 1.00 0.00 C ATOM 1373 C ASN A 99 11.578 -0.312 -3.164 1.00 0.00 C ATOM 1374 O ASN A 99 11.588 -1.313 -2.448 1.00 0.00 O ATOM 1375 CB ASN A 99 13.617 0.274 -4.439 1.00 0.00 C ATOM 1376 CG ASN A 99 14.792 -0.634 -4.070 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.528 -1.483 -3.080 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 15.865 -0.569 -4.645 1.00 0.00 N flip ATOM 0 H ASN A 99 14.500 0.082 -2.127 1.00 0.00 H new ATOM 0 HA ASN A 99 12.472 1.668 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.986 -0.223 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.990 1.187 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.000 0.106 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.627 -1.190 -4.374 1.00 0.00 H new ATOM 1385 N PHE A 100 10.566 0.044 -3.941 1.00 0.00 N ATOM 1386 CA PHE A 100 9.353 -0.753 -4.004 1.00 0.00 C ATOM 1387 C PHE A 100 9.085 -1.233 -5.432 1.00 0.00 C ATOM 1388 O PHE A 100 9.638 -0.689 -6.387 1.00 0.00 O ATOM 1389 CB PHE A 100 8.201 0.150 -3.559 1.00 0.00 C ATOM 1390 CG PHE A 100 8.053 0.266 -2.040 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.902 -0.854 -1.284 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.072 1.490 -1.446 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.764 -0.746 0.125 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.933 1.598 -0.038 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.783 0.478 0.719 1.00 0.00 C ATOM 0 H PHE A 100 10.561 0.875 -4.533 1.00 0.00 H new ATOM 0 HA PHE A 100 9.452 -1.631 -3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.351 1.146 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.270 -0.234 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.887 -1.826 -1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.193 2.380 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.644 -1.636 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.946 2.570 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.679 0.560 1.791 1.00 0.00 H new ATOM 1405 N VAL A 101 8.240 -2.248 -5.532 1.00 0.00 N ATOM 1406 CA VAL A 101 7.893 -2.807 -6.827 1.00 0.00 C ATOM 1407 C VAL A 101 6.596 -3.609 -6.700 1.00 0.00 C ATOM 1408 O VAL A 101 6.437 -4.396 -5.768 1.00 0.00 O ATOM 1409 CB VAL A 101 9.058 -3.639 -7.366 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.317 -2.784 -7.521 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.326 -4.852 -6.474 1.00 0.00 C ATOM 0 H VAL A 101 7.785 -2.698 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 101 7.715 -2.012 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 101 8.778 -4.006 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.130 -3.400 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.119 -1.968 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.600 -2.374 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.159 -5.426 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.574 -4.516 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.436 -5.481 -6.438 1.00 0.00 H new ATOM 1421 N GLU A 102 5.701 -3.381 -7.651 1.00 0.00 N ATOM 1422 CA GLU A 102 4.422 -4.071 -7.657 1.00 0.00 C ATOM 1423 C GLU A 102 4.638 -5.587 -7.657 1.00 0.00 C ATOM 1424 O GLU A 102 5.307 -6.122 -8.539 1.00 0.00 O ATOM 1425 CB GLU A 102 3.572 -3.639 -8.852 1.00 0.00 C ATOM 1426 CG GLU A 102 4.451 -3.117 -9.990 1.00 0.00 C ATOM 1427 CD GLU A 102 3.724 -3.217 -11.334 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.880 -2.331 -11.589 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.029 -4.176 -12.075 1.00 0.00 O ATOM 0 H GLU A 102 5.837 -2.728 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 102 3.880 -3.800 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.978 -4.482 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.872 -2.863 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.725 -2.080 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.378 -3.689 -10.030 1.00 0.00 H new ATOM 1436 N CYS A 103 4.057 -6.234 -6.658 1.00 0.00 N ATOM 1437 CA CYS A 103 4.177 -7.677 -6.531 1.00 0.00 C ATOM 1438 C CYS A 103 3.692 -8.315 -7.834 1.00 0.00 C ATOM 1439 O CYS A 103 3.514 -7.627 -8.838 1.00 0.00 O ATOM 1440 CB CYS A 103 3.408 -8.204 -5.317 1.00 0.00 C ATOM 1441 SG CYS A 103 3.917 -7.483 -3.714 1.00 0.00 S ATOM 0 H CYS A 103 3.502 -5.786 -5.929 1.00 0.00 H new ATOM 0 HA CYS A 103 5.220 -7.945 -6.362 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.346 -8.010 -5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.531 -9.286 -5.268 1.00 0.00 H new ATOM 0 HG CYS A 103 3.305 -8.099 -2.747 1.00 0.00 H new ATOM 1446 N THR A 104 3.493 -9.623 -7.777 1.00 0.00 N ATOM 1447 CA THR A 104 3.033 -10.362 -8.940 1.00 0.00 C ATOM 1448 C THR A 104 1.621 -10.902 -8.705 1.00 0.00 C ATOM 1449 O THR A 104 1.204 -11.861 -9.352 1.00 0.00 O ATOM 1450 CB THR A 104 4.059 -11.457 -9.242 1.00 0.00 C ATOM 1451 OG1 THR A 104 4.046 -12.277 -8.076 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.490 -10.918 -9.300 1.00 0.00 C ATOM 0 H THR A 104 3.642 -10.191 -6.943 1.00 0.00 H new ATOM 0 HA THR A 104 2.959 -9.715 -9.814 1.00 0.00 H new ATOM 0 HB THR A 104 3.811 -11.935 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.350 -11.754 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.178 -11.735 -9.517 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.563 -10.164 -10.084 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.749 -10.470 -8.341 1.00 0.00 H new