USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 758 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.16 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 146:sc= -0.303 (180deg=-1.99!) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 0.735 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.226) USER MOD Single : A 18 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.96) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.76 USER MOD Single : A 33 SER OG : rot -127:sc= 0.00196 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.277 USER MOD Single : A 40 HIS : no HD1:sc=-0.000237 X(o=-0.00024,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0.726 (180deg=0.505) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0139 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -157:sc= -0.193 (180deg=-1.16) USER MOD Single : A 64 MET CE :methyl 153:sc=-0.00434 (180deg=-0.36) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 115:sc= -0.0901 USER MOD Single : A 80 CYS SG : rot 25:sc= -2.68 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 60:sc= 0.0775 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 26:sc= 0.547 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.949 24.332 -2.232 1.00 0.00 N ATOM 2 CA GLY A 1 22.533 25.720 -2.302 1.00 0.00 C ATOM 3 C GLY A 1 21.403 25.938 -3.289 1.00 0.00 C ATOM 4 O GLY A 1 21.500 26.787 -4.176 1.00 0.00 O ATOM 0 H1 GLY A 1 23.723 24.236 -1.544 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.145 23.743 -1.933 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.277 24.020 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.216 26.051 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.385 26.337 -2.588 1.00 0.00 H new ATOM 8 N SER A 2 20.330 25.169 -3.137 1.00 0.00 N ATOM 9 CA SER A 2 19.179 25.279 -4.025 1.00 0.00 C ATOM 10 C SER A 2 18.054 26.068 -3.363 1.00 0.00 C ATOM 11 O SER A 2 17.116 25.490 -2.812 1.00 0.00 O ATOM 12 CB SER A 2 18.678 23.888 -4.419 1.00 0.00 C ATOM 13 OG SER A 2 19.438 23.356 -5.491 1.00 0.00 O ATOM 0 H SER A 2 20.234 24.463 -2.407 1.00 0.00 H new ATOM 0 HA SER A 2 19.494 25.812 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.738 23.220 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.628 23.944 -4.706 1.00 0.00 H new ATOM 0 HG SER A 2 19.099 22.466 -5.722 1.00 0.00 H new ATOM 19 N SER A 3 18.155 27.392 -3.420 1.00 0.00 N ATOM 20 CA SER A 3 17.149 28.262 -2.822 1.00 0.00 C ATOM 21 C SER A 3 16.355 28.994 -3.900 1.00 0.00 C ATOM 22 O SER A 3 16.927 29.620 -4.791 1.00 0.00 O ATOM 23 CB SER A 3 17.811 29.273 -1.884 1.00 0.00 C ATOM 24 OG SER A 3 16.840 30.009 -1.161 1.00 0.00 O ATOM 0 H SER A 3 18.923 27.886 -3.874 1.00 0.00 H new ATOM 0 HA SER A 3 16.462 27.641 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.469 28.752 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.434 29.956 -2.462 1.00 0.00 H new ATOM 0 HG SER A 3 17.288 30.647 -0.567 1.00 0.00 H new ATOM 30 N GLY A 4 15.031 28.910 -3.810 1.00 0.00 N ATOM 31 CA GLY A 4 14.178 29.569 -4.782 1.00 0.00 C ATOM 32 C GLY A 4 12.717 29.203 -4.614 1.00 0.00 C ATOM 33 O GLY A 4 12.367 28.395 -3.754 1.00 0.00 O ATOM 0 H GLY A 4 14.534 28.397 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.292 30.649 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.503 29.301 -5.787 1.00 0.00 H new ATOM 37 N SER A 5 11.860 29.801 -5.436 1.00 0.00 N ATOM 38 CA SER A 5 10.427 29.538 -5.370 1.00 0.00 C ATOM 39 C SER A 5 10.153 28.040 -5.277 1.00 0.00 C ATOM 40 O SER A 5 10.445 27.286 -6.205 1.00 0.00 O ATOM 41 CB SER A 5 9.724 30.122 -6.597 1.00 0.00 C ATOM 42 OG SER A 5 10.100 29.432 -7.776 1.00 0.00 O ATOM 0 H SER A 5 12.133 30.471 -6.155 1.00 0.00 H new ATOM 0 HA SER A 5 10.035 30.017 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.644 30.061 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.974 31.178 -6.695 1.00 0.00 H new ATOM 0 HG SER A 5 10.308 28.500 -7.557 1.00 0.00 H new ATOM 48 N SER A 6 9.591 27.617 -4.149 1.00 0.00 N ATOM 49 CA SER A 6 9.281 26.209 -3.931 1.00 0.00 C ATOM 50 C SER A 6 7.781 26.007 -3.738 1.00 0.00 C ATOM 51 O SER A 6 7.119 26.795 -3.065 1.00 0.00 O ATOM 52 CB SER A 6 10.040 25.680 -2.713 1.00 0.00 C ATOM 53 OG SER A 6 9.695 26.404 -1.544 1.00 0.00 O ATOM 0 H SER A 6 9.341 28.229 -3.372 1.00 0.00 H new ATOM 0 HA SER A 6 9.594 25.652 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.814 24.623 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.113 25.756 -2.888 1.00 0.00 H new ATOM 0 HG SER A 6 10.192 26.046 -0.779 1.00 0.00 H new ATOM 59 N GLY A 7 7.252 24.942 -4.334 1.00 0.00 N ATOM 60 CA GLY A 7 5.835 24.655 -4.216 1.00 0.00 C ATOM 61 C GLY A 7 5.538 23.631 -3.138 1.00 0.00 C ATOM 62 O GLY A 7 6.440 23.118 -2.475 1.00 0.00 O ATOM 0 H GLY A 7 7.780 24.274 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.298 25.577 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.461 24.290 -5.172 1.00 0.00 H new ATOM 66 N PRO A 8 4.247 23.322 -2.949 1.00 0.00 N ATOM 67 CA PRO A 8 3.804 22.351 -1.943 1.00 0.00 C ATOM 68 C PRO A 8 4.196 20.923 -2.305 1.00 0.00 C ATOM 69 O PRO A 8 4.356 20.591 -3.479 1.00 0.00 O ATOM 70 CB PRO A 8 2.282 22.506 -1.947 1.00 0.00 C ATOM 71 CG PRO A 8 1.957 23.028 -3.305 1.00 0.00 C ATOM 72 CD PRO A 8 3.120 23.894 -3.704 1.00 0.00 C ATOM 0 HA PRO A 8 4.262 22.533 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.787 21.553 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.952 23.195 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.817 22.212 -4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.030 23.601 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.297 23.858 -4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.951 24.939 -3.443 1.00 0.00 H new ATOM 80 N ALA A 9 4.348 20.080 -1.288 1.00 0.00 N ATOM 81 CA ALA A 9 4.718 18.686 -1.499 1.00 0.00 C ATOM 82 C ALA A 9 3.493 17.836 -1.821 1.00 0.00 C ATOM 83 O ALA A 9 3.422 16.666 -1.447 1.00 0.00 O ATOM 84 CB ALA A 9 5.435 18.139 -0.274 1.00 0.00 C ATOM 0 H ALA A 9 4.220 20.339 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 9 5.394 18.640 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.705 17.097 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.337 18.722 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.777 18.205 0.592 1.00 0.00 H new ATOM 90 N ALA A 10 2.531 18.433 -2.517 1.00 0.00 N ATOM 91 CA ALA A 10 1.310 17.729 -2.890 1.00 0.00 C ATOM 92 C ALA A 10 1.623 16.483 -3.712 1.00 0.00 C ATOM 93 O ALA A 10 2.768 16.260 -4.106 1.00 0.00 O ATOM 94 CB ALA A 10 0.383 18.655 -3.665 1.00 0.00 C ATOM 0 H ALA A 10 2.573 19.402 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 10 0.809 17.412 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.525 18.117 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.124 19.513 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.885 19.000 -4.569 1.00 0.00 H new ATOM 100 N ILE A 11 0.600 15.675 -3.966 1.00 0.00 N ATOM 101 CA ILE A 11 0.767 14.452 -4.740 1.00 0.00 C ATOM 102 C ILE A 11 0.368 14.665 -6.197 1.00 0.00 C ATOM 103 O ILE A 11 -0.757 15.069 -6.490 1.00 0.00 O ATOM 104 CB ILE A 11 -0.066 13.296 -4.155 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.348 13.021 -2.708 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.094 12.044 -5.005 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.738 12.369 -1.882 1.00 0.00 C ATOM 0 H ILE A 11 -0.354 15.845 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 11 1.824 14.189 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.117 13.585 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.229 12.379 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.637 13.960 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.501 11.236 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.246 12.248 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.143 11.750 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.374 12.204 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.612 13.019 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.011 11.413 -2.330 1.00 0.00 H new ATOM 119 N ILE A 12 1.297 14.388 -7.105 1.00 0.00 N ATOM 120 CA ILE A 12 1.041 14.547 -8.532 1.00 0.00 C ATOM 121 C ILE A 12 0.526 13.249 -9.145 1.00 0.00 C ATOM 122 O ILE A 12 -0.320 13.265 -10.040 1.00 0.00 O ATOM 123 CB ILE A 12 2.310 14.989 -9.285 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.556 14.402 -8.619 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.394 16.507 -9.335 1.00 0.00 C ATOM 126 CD1 ILE A 12 4.067 15.229 -7.460 1.00 0.00 C ATOM 0 H ILE A 12 2.233 14.053 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 12 0.280 15.321 -8.633 1.00 0.00 H new ATOM 0 HB ILE A 12 2.257 14.614 -10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.330 13.396 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.346 14.308 -9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.296 16.804 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.519 16.903 -9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.427 16.903 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.951 14.754 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.325 16.228 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.293 15.302 -6.696 1.00 0.00 H new ATOM 138 N LYS A 13 1.038 12.125 -8.656 1.00 0.00 N ATOM 139 CA LYS A 13 0.628 10.817 -9.153 1.00 0.00 C ATOM 140 C LYS A 13 -0.201 10.074 -8.110 1.00 0.00 C ATOM 141 O LYS A 13 0.325 9.520 -7.144 1.00 0.00 O ATOM 142 CB LYS A 13 1.855 9.985 -9.531 1.00 0.00 C ATOM 143 CG LYS A 13 2.579 10.495 -10.765 1.00 0.00 C ATOM 144 CD LYS A 13 3.466 9.423 -11.375 1.00 0.00 C ATOM 145 CE LYS A 13 2.748 8.672 -12.486 1.00 0.00 C ATOM 146 NZ LYS A 13 2.064 7.450 -11.978 1.00 0.00 N ATOM 0 H LYS A 13 1.738 12.094 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 13 0.013 10.970 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.549 9.975 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.546 8.954 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.850 10.829 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.184 11.362 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.373 9.881 -11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.775 8.721 -10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.016 9.330 -12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.465 8.392 -13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.792 6.846 -12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.709 6.926 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.213 7.724 -11.447 1.00 0.00 H new ATOM 160 N PRO A 14 -1.527 10.060 -8.307 1.00 0.00 N ATOM 161 CA PRO A 14 -2.456 9.387 -7.395 1.00 0.00 C ATOM 162 C PRO A 14 -2.332 7.869 -7.458 1.00 0.00 C ATOM 163 O PRO A 14 -1.866 7.314 -8.454 1.00 0.00 O ATOM 164 CB PRO A 14 -3.832 9.832 -7.897 1.00 0.00 C ATOM 165 CG PRO A 14 -3.622 10.161 -9.335 1.00 0.00 C ATOM 166 CD PRO A 14 -2.222 10.700 -9.437 1.00 0.00 C ATOM 0 HA PRO A 14 -2.263 9.645 -6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.572 9.041 -7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.195 10.697 -7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.746 9.276 -9.960 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.349 10.897 -9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.761 10.442 -10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.203 11.787 -9.357 1.00 0.00 H new ATOM 174 N LEU A 15 -2.752 7.201 -6.389 1.00 0.00 N ATOM 175 CA LEU A 15 -2.688 5.745 -6.323 1.00 0.00 C ATOM 176 C LEU A 15 -3.594 5.112 -7.374 1.00 0.00 C ATOM 177 O LEU A 15 -4.276 5.812 -8.121 1.00 0.00 O ATOM 178 CB LEU A 15 -3.090 5.260 -4.928 1.00 0.00 C ATOM 179 CG LEU A 15 -2.176 5.688 -3.780 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.822 5.376 -2.439 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.821 5.004 -3.893 1.00 0.00 C ATOM 0 H LEU A 15 -3.140 7.644 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.661 5.441 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.097 5.619 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.136 4.171 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.023 6.765 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.157 5.688 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.767 5.912 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.005 4.304 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.184 5.321 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.955 3.923 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.353 5.278 -4.838 1.00 0.00 H new ATOM 193 N GLU A 16 -3.596 3.783 -7.424 1.00 0.00 N ATOM 194 CA GLU A 16 -4.420 3.057 -8.383 1.00 0.00 C ATOM 195 C GLU A 16 -4.909 1.738 -7.791 1.00 0.00 C ATOM 196 O GLU A 16 -4.202 1.093 -7.017 1.00 0.00 O ATOM 197 CB GLU A 16 -3.632 2.791 -9.667 1.00 0.00 C ATOM 198 CG GLU A 16 -3.146 4.055 -10.356 1.00 0.00 C ATOM 199 CD GLU A 16 -2.165 3.770 -11.477 1.00 0.00 C ATOM 200 OE1 GLU A 16 -0.986 3.488 -11.175 1.00 0.00 O ATOM 201 OE2 GLU A 16 -2.576 3.828 -12.654 1.00 0.00 O ATOM 0 H GLU A 16 -3.037 3.188 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.287 3.674 -8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.773 2.162 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.260 2.229 -10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.002 4.597 -10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.672 4.706 -9.621 1.00 0.00 H new ATOM 208 N ASP A 17 -6.122 1.344 -8.161 1.00 0.00 N ATOM 209 CA ASP A 17 -6.707 0.102 -7.668 1.00 0.00 C ATOM 210 C ASP A 17 -5.765 -1.074 -7.906 1.00 0.00 C ATOM 211 O ASP A 17 -5.302 -1.293 -9.025 1.00 0.00 O ATOM 212 CB ASP A 17 -8.051 -0.159 -8.349 1.00 0.00 C ATOM 213 CG ASP A 17 -9.139 0.778 -7.863 1.00 0.00 C ATOM 214 OD1 ASP A 17 -9.128 1.959 -8.267 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.000 0.331 -7.076 1.00 0.00 O ATOM 0 H ASP A 17 -6.720 1.867 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.867 0.205 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.936 -0.049 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.354 -1.190 -8.164 1.00 0.00 H new ATOM 220 N GLN A 18 -5.485 -1.825 -6.846 1.00 0.00 N ATOM 221 CA GLN A 18 -4.596 -2.977 -6.940 1.00 0.00 C ATOM 222 C GLN A 18 -5.390 -4.279 -6.922 1.00 0.00 C ATOM 223 O GLN A 18 -6.304 -4.449 -6.115 1.00 0.00 O ATOM 224 CB GLN A 18 -3.587 -2.965 -5.791 1.00 0.00 C ATOM 225 CG GLN A 18 -2.595 -1.815 -5.865 1.00 0.00 C ATOM 226 CD GLN A 18 -1.672 -1.916 -7.063 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.397 -3.009 -7.559 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.187 -0.774 -7.536 1.00 0.00 N ATOM 0 H GLN A 18 -5.861 -1.657 -5.913 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.058 -2.913 -7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.126 -2.909 -4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.039 -3.907 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.140 -0.872 -5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.999 -1.795 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.441 0.110 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.561 -0.780 -8.341 1.00 0.00 H new ATOM 237 N TRP A 19 -5.034 -5.196 -7.815 1.00 0.00 N ATOM 238 CA TRP A 19 -5.714 -6.483 -7.901 1.00 0.00 C ATOM 239 C TRP A 19 -4.730 -7.632 -7.708 1.00 0.00 C ATOM 240 O TRP A 19 -3.973 -7.974 -8.617 1.00 0.00 O ATOM 241 CB TRP A 19 -6.420 -6.621 -9.251 1.00 0.00 C ATOM 242 CG TRP A 19 -7.761 -5.954 -9.290 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.955 -6.490 -8.900 1.00 0.00 C ATOM 244 CD2 TRP A 19 -8.045 -4.627 -9.747 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.964 -5.576 -9.087 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.432 -4.425 -9.605 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.263 -3.589 -10.261 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -10.050 -3.229 -9.959 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.878 -2.403 -10.612 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.260 -2.230 -10.459 1.00 0.00 C ATOM 0 H TRP A 19 -4.279 -5.072 -8.489 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.457 -6.528 -7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.787 -6.195 -10.029 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.541 -7.679 -9.483 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.087 -7.486 -8.503 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.950 -5.730 -8.874 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.197 -3.712 -10.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -11.115 -3.094 -9.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.283 -1.595 -11.011 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.710 -1.290 -10.741 1.00 0.00 H new ATOM 261 N VAL A 20 -4.746 -8.226 -6.519 1.00 0.00 N ATOM 262 CA VAL A 20 -3.856 -9.338 -6.208 1.00 0.00 C ATOM 263 C VAL A 20 -4.631 -10.519 -5.634 1.00 0.00 C ATOM 264 O VAL A 20 -5.860 -10.497 -5.574 1.00 0.00 O ATOM 265 CB VAL A 20 -2.764 -8.919 -5.205 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.061 -7.656 -5.678 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.361 -8.720 -3.820 1.00 0.00 C ATOM 0 H VAL A 20 -5.366 -7.956 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.385 -9.637 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.024 -9.717 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.293 -7.375 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.599 -7.839 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.787 -6.848 -5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.576 -8.424 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.122 -7.941 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.814 -9.652 -3.482 1.00 0.00 H new ATOM 277 N ALA A 21 -3.904 -11.549 -5.214 1.00 0.00 N ATOM 278 CA ALA A 21 -4.524 -12.738 -4.643 1.00 0.00 C ATOM 279 C ALA A 21 -4.323 -12.790 -3.132 1.00 0.00 C ATOM 280 O ALA A 21 -3.463 -12.110 -2.572 1.00 0.00 O ATOM 281 CB ALA A 21 -3.960 -13.992 -5.295 1.00 0.00 C ATOM 0 H ALA A 21 -2.886 -11.584 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.595 -12.689 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.432 -14.872 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.160 -13.966 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.884 -14.037 -5.127 1.00 0.00 H new ATOM 287 N PRO A 22 -5.135 -13.615 -2.455 1.00 0.00 N ATOM 288 CA PRO A 22 -5.065 -13.775 -0.999 1.00 0.00 C ATOM 289 C PRO A 22 -3.798 -14.498 -0.555 1.00 0.00 C ATOM 290 O PRO A 22 -3.785 -15.720 -0.418 1.00 0.00 O ATOM 291 CB PRO A 22 -6.303 -14.616 -0.675 1.00 0.00 C ATOM 292 CG PRO A 22 -6.591 -15.364 -1.930 1.00 0.00 C ATOM 293 CD PRO A 22 -6.183 -14.456 -3.057 1.00 0.00 C ATOM 0 HA PRO A 22 -5.038 -12.815 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.114 -15.295 0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.145 -13.987 -0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.034 -16.301 -1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.648 -15.619 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.805 -15.019 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.021 -13.859 -3.415 1.00 0.00 H new ATOM 301 N GLY A 23 -2.734 -13.733 -0.331 1.00 0.00 N ATOM 302 CA GLY A 23 -1.476 -14.319 0.096 1.00 0.00 C ATOM 303 C GLY A 23 -0.276 -13.615 -0.504 1.00 0.00 C ATOM 304 O GLY A 23 0.860 -13.853 -0.093 1.00 0.00 O ATOM 0 H GLY A 23 -2.720 -12.719 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.411 -14.279 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.455 -15.372 -0.186 1.00 0.00 H new ATOM 308 N GLU A 24 -0.526 -12.746 -1.478 1.00 0.00 N ATOM 309 CA GLU A 24 0.545 -12.008 -2.136 1.00 0.00 C ATOM 310 C GLU A 24 0.803 -10.679 -1.431 1.00 0.00 C ATOM 311 O GLU A 24 0.079 -10.303 -0.509 1.00 0.00 O ATOM 312 CB GLU A 24 0.195 -11.758 -3.605 1.00 0.00 C ATOM 313 CG GLU A 24 -0.350 -12.984 -4.318 1.00 0.00 C ATOM 314 CD GLU A 24 -0.038 -12.983 -5.801 1.00 0.00 C ATOM 315 OE1 GLU A 24 -0.339 -11.971 -6.470 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.506 -13.992 -6.295 1.00 0.00 O ATOM 0 H GLU A 24 -1.461 -12.536 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 24 1.452 -12.610 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.542 -10.957 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.086 -11.410 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.070 -13.881 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.430 -13.031 -4.178 1.00 0.00 H new ATOM 323 N ASP A 25 1.840 -9.975 -1.870 1.00 0.00 N ATOM 324 CA ASP A 25 2.195 -8.689 -1.281 1.00 0.00 C ATOM 325 C ASP A 25 1.778 -7.540 -2.195 1.00 0.00 C ATOM 326 O ASP A 25 1.952 -7.606 -3.412 1.00 0.00 O ATOM 327 CB ASP A 25 3.699 -8.624 -1.013 1.00 0.00 C ATOM 328 CG ASP A 25 4.520 -9.049 -2.215 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.396 -10.219 -2.633 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.287 -8.212 -2.737 1.00 0.00 O ATOM 0 H ASP A 25 2.450 -10.273 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 25 1.662 -8.590 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.971 -7.607 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.942 -9.265 -0.166 1.00 0.00 H new ATOM 335 N VAL A 26 1.226 -6.487 -1.599 1.00 0.00 N ATOM 336 CA VAL A 26 0.784 -5.324 -2.359 1.00 0.00 C ATOM 337 C VAL A 26 1.689 -4.124 -2.102 1.00 0.00 C ATOM 338 O VAL A 26 2.056 -3.844 -0.961 1.00 0.00 O ATOM 339 CB VAL A 26 -0.666 -4.943 -2.009 1.00 0.00 C ATOM 340 CG1 VAL A 26 -1.019 -3.586 -2.598 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.631 -6.013 -2.499 1.00 0.00 C ATOM 0 H VAL A 26 1.075 -6.416 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 26 0.836 -5.596 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.754 -4.876 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.048 -3.334 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.347 -2.828 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.915 -3.622 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.651 -5.727 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.543 -6.115 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.391 -6.964 -2.025 1.00 0.00 H new ATOM 351 N GLU A 27 2.045 -3.419 -3.171 1.00 0.00 N ATOM 352 CA GLU A 27 2.908 -2.249 -3.061 1.00 0.00 C ATOM 353 C GLU A 27 2.270 -1.036 -3.733 1.00 0.00 C ATOM 354 O GLU A 27 2.098 -1.007 -4.952 1.00 0.00 O ATOM 355 CB GLU A 27 4.274 -2.533 -3.689 1.00 0.00 C ATOM 356 CG GLU A 27 4.949 -3.779 -3.141 1.00 0.00 C ATOM 357 CD GLU A 27 6.175 -4.178 -3.939 1.00 0.00 C ATOM 358 OE1 GLU A 27 6.783 -3.293 -4.575 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.525 -5.377 -3.927 1.00 0.00 O ATOM 0 H GLU A 27 1.749 -3.637 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 27 3.042 -2.028 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.154 -2.640 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.926 -1.675 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.236 -3.606 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.236 -4.604 -3.141 1.00 0.00 H new ATOM 366 N LEU A 28 1.919 -0.038 -2.929 1.00 0.00 N ATOM 367 CA LEU A 28 1.298 1.177 -3.445 1.00 0.00 C ATOM 368 C LEU A 28 2.297 2.330 -3.469 1.00 0.00 C ATOM 369 O LEU A 28 2.591 2.932 -2.437 1.00 0.00 O ATOM 370 CB LEU A 28 0.086 1.556 -2.592 1.00 0.00 C ATOM 371 CG LEU A 28 -1.023 0.508 -2.500 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.767 0.632 -1.179 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.986 0.646 -3.670 1.00 0.00 C ATOM 0 H LEU A 28 2.054 -0.046 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 28 0.969 0.983 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.432 1.779 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.342 2.475 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.566 -0.481 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.553 -0.122 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.071 0.483 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.212 1.624 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.769 -0.108 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.436 1.639 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.444 0.506 -4.606 1.00 0.00 H new ATOM 385 N ARG A 29 2.814 2.632 -4.656 1.00 0.00 N ATOM 386 CA ARG A 29 3.779 3.714 -4.815 1.00 0.00 C ATOM 387 C ARG A 29 3.089 4.994 -5.278 1.00 0.00 C ATOM 388 O ARG A 29 2.115 4.949 -6.030 1.00 0.00 O ATOM 389 CB ARG A 29 4.862 3.315 -5.819 1.00 0.00 C ATOM 390 CG ARG A 29 5.718 2.146 -5.359 1.00 0.00 C ATOM 391 CD ARG A 29 6.864 1.881 -6.322 1.00 0.00 C ATOM 392 NE ARG A 29 6.409 1.238 -7.552 1.00 0.00 N ATOM 393 CZ ARG A 29 5.919 1.905 -8.591 1.00 0.00 C ATOM 394 NH1 ARG A 29 5.823 3.226 -8.550 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.525 1.248 -9.676 1.00 0.00 N ATOM 0 H ARG A 29 2.581 2.143 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 29 4.241 3.901 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.390 3.058 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.506 4.174 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.117 2.354 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.100 1.253 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.357 2.822 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.607 1.249 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 29 6.471 0.222 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.126 3.734 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.446 3.735 -9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.599 0.231 -9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.149 1.760 -10.474 1.00 0.00 H new ATOM 409 N CYS A 30 3.600 6.132 -4.822 1.00 0.00 N ATOM 410 CA CYS A 30 3.032 7.426 -5.188 1.00 0.00 C ATOM 411 C CYS A 30 4.131 8.417 -5.556 1.00 0.00 C ATOM 412 O CYS A 30 5.309 8.063 -5.603 1.00 0.00 O ATOM 413 CB CYS A 30 2.192 7.981 -4.037 1.00 0.00 C ATOM 414 SG CYS A 30 3.139 8.930 -2.824 1.00 0.00 S ATOM 0 H CYS A 30 4.406 6.186 -4.199 1.00 0.00 H new ATOM 0 HA CYS A 30 2.392 7.282 -6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.407 8.617 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.698 7.153 -3.529 1.00 0.00 H new ATOM 0 HG CYS A 30 2.342 9.359 -1.891 1.00 0.00 H new ATOM 420 N GLU A 31 3.737 9.659 -5.818 1.00 0.00 N ATOM 421 CA GLU A 31 4.689 10.701 -6.185 1.00 0.00 C ATOM 422 C GLU A 31 4.354 12.015 -5.486 1.00 0.00 C ATOM 423 O GLU A 31 3.190 12.413 -5.413 1.00 0.00 O ATOM 424 CB GLU A 31 4.697 10.904 -7.701 1.00 0.00 C ATOM 425 CG GLU A 31 5.931 11.629 -8.212 1.00 0.00 C ATOM 426 CD GLU A 31 6.300 11.226 -9.626 1.00 0.00 C ATOM 427 OE1 GLU A 31 5.649 11.719 -10.572 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.239 10.420 -9.788 1.00 0.00 O ATOM 0 H GLU A 31 2.766 9.968 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 31 5.680 10.381 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.629 9.932 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.810 11.468 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.756 12.704 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.770 11.422 -7.548 1.00 0.00 H new ATOM 435 N LEU A 32 5.380 12.685 -4.973 1.00 0.00 N ATOM 436 CA LEU A 32 5.196 13.954 -4.279 1.00 0.00 C ATOM 437 C LEU A 32 5.997 15.064 -4.953 1.00 0.00 C ATOM 438 O LEU A 32 7.165 14.881 -5.293 1.00 0.00 O ATOM 439 CB LEU A 32 5.616 13.823 -2.814 1.00 0.00 C ATOM 440 CG LEU A 32 5.255 12.506 -2.128 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.235 12.203 -1.005 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.830 12.554 -1.596 1.00 0.00 C ATOM 0 H LEU A 32 6.349 12.370 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 32 4.139 14.215 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.696 13.957 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.161 14.639 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 32 5.319 11.705 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.962 11.262 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.243 12.124 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.203 13.006 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.591 11.608 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.738 13.365 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.139 12.723 -2.422 1.00 0.00 H new ATOM 454 N SER A 33 5.360 16.216 -5.140 1.00 0.00 N ATOM 455 CA SER A 33 6.013 17.356 -5.774 1.00 0.00 C ATOM 456 C SER A 33 7.289 17.735 -5.028 1.00 0.00 C ATOM 457 O SER A 33 8.162 18.411 -5.574 1.00 0.00 O ATOM 458 CB SER A 33 5.062 18.553 -5.822 1.00 0.00 C ATOM 459 OG SER A 33 5.751 19.738 -6.180 1.00 0.00 O ATOM 0 H SER A 33 4.393 16.385 -4.862 1.00 0.00 H new ATOM 0 HA SER A 33 6.279 17.071 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.266 18.360 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.588 18.684 -4.849 1.00 0.00 H new ATOM 0 HG SER A 33 5.573 20.434 -5.513 1.00 0.00 H new ATOM 465 N ARG A 34 7.389 17.295 -3.778 1.00 0.00 N ATOM 466 CA ARG A 34 8.557 17.589 -2.957 1.00 0.00 C ATOM 467 C ARG A 34 8.886 16.414 -2.040 1.00 0.00 C ATOM 468 O ARG A 34 7.992 15.791 -1.467 1.00 0.00 O ATOM 469 CB ARG A 34 8.316 18.848 -2.122 1.00 0.00 C ATOM 470 CG ARG A 34 9.469 19.194 -1.194 1.00 0.00 C ATOM 471 CD ARG A 34 8.996 19.998 0.007 1.00 0.00 C ATOM 472 NE ARG A 34 8.783 21.404 -0.326 1.00 0.00 N ATOM 473 CZ ARG A 34 8.519 22.341 0.578 1.00 0.00 C ATOM 474 NH1 ARG A 34 8.436 22.023 1.863 1.00 0.00 N ATOM 475 NH2 ARG A 34 8.338 23.599 0.197 1.00 0.00 N ATOM 0 H ARG A 34 6.676 16.734 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 34 9.404 17.758 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.135 19.689 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.412 18.713 -1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.950 18.278 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.220 19.764 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.068 19.571 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.733 19.922 0.807 1.00 0.00 H new ATOM 0 HE ARG A 34 8.840 21.682 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.575 21.057 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.233 22.745 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.402 23.847 -0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.135 24.318 0.891 1.00 0.00 H new ATOM 489 N ALA A 35 10.175 16.117 -1.907 1.00 0.00 N ATOM 490 CA ALA A 35 10.622 15.019 -1.060 1.00 0.00 C ATOM 491 C ALA A 35 10.716 15.454 0.399 1.00 0.00 C ATOM 492 O ALA A 35 10.839 16.642 0.696 1.00 0.00 O ATOM 493 CB ALA A 35 11.965 14.492 -1.543 1.00 0.00 C ATOM 0 H ALA A 35 10.927 16.622 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 35 9.885 14.219 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.286 13.672 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.868 14.134 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.704 15.292 -1.507 1.00 0.00 H new ATOM 499 N GLY A 36 10.658 14.484 1.306 1.00 0.00 N ATOM 500 CA GLY A 36 10.737 14.788 2.723 1.00 0.00 C ATOM 501 C GLY A 36 9.384 14.737 3.404 1.00 0.00 C ATOM 502 O GLY A 36 9.230 14.112 4.454 1.00 0.00 O ATOM 0 H GLY A 36 10.558 13.493 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.410 14.080 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.169 15.780 2.855 1.00 0.00 H new ATOM 506 N THR A 37 8.397 15.398 2.806 1.00 0.00 N ATOM 507 CA THR A 37 7.050 15.429 3.362 1.00 0.00 C ATOM 508 C THR A 37 6.466 14.025 3.465 1.00 0.00 C ATOM 509 O THR A 37 6.315 13.315 2.470 1.00 0.00 O ATOM 510 CB THR A 37 6.111 16.303 2.510 1.00 0.00 C ATOM 511 OG1 THR A 37 6.677 17.607 2.338 1.00 0.00 O ATOM 512 CG2 THR A 37 4.742 16.421 3.163 1.00 0.00 C ATOM 0 H THR A 37 8.506 15.919 1.936 1.00 0.00 H new ATOM 0 HA THR A 37 7.129 15.860 4.360 1.00 0.00 H new ATOM 0 HB THR A 37 5.992 15.828 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.970 18.282 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.096 17.043 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.301 15.429 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.847 16.876 4.148 1.00 0.00 H new ATOM 520 N PRO A 38 6.127 13.613 4.696 1.00 0.00 N ATOM 521 CA PRO A 38 5.552 12.290 4.957 1.00 0.00 C ATOM 522 C PRO A 38 4.133 12.158 4.416 1.00 0.00 C ATOM 523 O PRO A 38 3.515 13.145 4.018 1.00 0.00 O ATOM 524 CB PRO A 38 5.553 12.199 6.485 1.00 0.00 C ATOM 525 CG PRO A 38 5.513 13.614 6.949 1.00 0.00 C ATOM 526 CD PRO A 38 6.279 14.407 5.927 1.00 0.00 C ATOM 0 HA PRO A 38 6.117 11.496 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.692 11.639 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.443 11.688 6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.486 13.970 7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.962 13.713 7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.872 15.411 5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.327 14.518 6.207 1.00 0.00 H new ATOM 534 N VAL A 39 3.621 10.931 4.404 1.00 0.00 N ATOM 535 CA VAL A 39 2.273 10.670 3.913 1.00 0.00 C ATOM 536 C VAL A 39 1.408 10.033 4.995 1.00 0.00 C ATOM 537 O VAL A 39 1.894 9.255 5.816 1.00 0.00 O ATOM 538 CB VAL A 39 2.294 9.748 2.680 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.654 8.326 3.081 1.00 0.00 C ATOM 540 CG2 VAL A 39 0.952 9.786 1.964 1.00 0.00 C ATOM 0 H VAL A 39 4.119 10.102 4.729 1.00 0.00 H new ATOM 0 HA VAL A 39 1.847 11.633 3.631 1.00 0.00 H new ATOM 0 HB VAL A 39 3.058 10.109 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.664 7.690 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.640 8.317 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.916 7.950 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.984 9.129 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.168 9.451 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.741 10.805 1.640 1.00 0.00 H new ATOM 550 N HIS A 40 0.121 10.369 4.991 1.00 0.00 N ATOM 551 CA HIS A 40 -0.813 9.829 5.971 1.00 0.00 C ATOM 552 C HIS A 40 -1.636 8.694 5.370 1.00 0.00 C ATOM 553 O HIS A 40 -2.646 8.931 4.706 1.00 0.00 O ATOM 554 CB HIS A 40 -1.741 10.931 6.484 1.00 0.00 C ATOM 555 CG HIS A 40 -2.224 10.704 7.883 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.582 11.731 8.732 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.410 9.560 8.581 1.00 0.00 C ATOM 558 CE1 HIS A 40 -2.965 11.228 9.891 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.870 9.912 9.826 1.00 0.00 N ATOM 0 H HIS A 40 -0.298 11.013 4.320 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.235 9.433 6.806 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.217 11.886 6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.601 11.009 5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.230 8.556 8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.299 11.796 10.747 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.101 9.263 10.578 1.00 0.00 H new ATOM 568 N TRP A 41 -1.198 7.463 5.606 1.00 0.00 N ATOM 569 CA TRP A 41 -1.894 6.291 5.087 1.00 0.00 C ATOM 570 C TRP A 41 -3.132 5.980 5.920 1.00 0.00 C ATOM 571 O TRP A 41 -3.028 5.599 7.087 1.00 0.00 O ATOM 572 CB TRP A 41 -0.958 5.082 5.070 1.00 0.00 C ATOM 573 CG TRP A 41 0.187 5.230 4.114 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.440 5.691 4.402 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.183 4.918 2.717 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.215 5.684 3.267 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.467 5.214 2.220 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.780 4.416 1.837 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.810 5.024 0.884 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.438 4.229 0.512 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.848 4.532 0.045 1.00 0.00 C ATOM 0 H TRP A 41 -0.364 7.250 6.153 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.211 6.510 4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.565 4.922 6.074 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.530 4.193 4.806 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.773 6.013 5.378 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.189 5.981 3.213 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.774 4.179 2.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.801 5.257 0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.175 3.842 -0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.084 4.374 -0.997 1.00 0.00 H new ATOM 592 N LEU A 42 -4.304 6.143 5.315 1.00 0.00 N ATOM 593 CA LEU A 42 -5.563 5.878 6.002 1.00 0.00 C ATOM 594 C LEU A 42 -6.288 4.692 5.374 1.00 0.00 C ATOM 595 O LEU A 42 -6.657 4.727 4.200 1.00 0.00 O ATOM 596 CB LEU A 42 -6.459 7.117 5.962 1.00 0.00 C ATOM 597 CG LEU A 42 -5.885 8.382 6.601 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.422 9.623 5.904 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.206 8.422 8.088 1.00 0.00 C ATOM 0 H LEU A 42 -4.408 6.457 4.350 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.337 5.633 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.696 7.336 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.399 6.877 6.459 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.801 8.365 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.003 10.513 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.140 9.600 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.508 9.646 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.790 9.329 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.287 8.415 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.772 7.550 8.578 1.00 0.00 H new ATOM 611 N LYS A 43 -6.490 3.643 6.164 1.00 0.00 N ATOM 612 CA LYS A 43 -7.173 2.446 5.688 1.00 0.00 C ATOM 613 C LYS A 43 -8.573 2.345 6.286 1.00 0.00 C ATOM 614 O LYS A 43 -8.736 1.964 7.446 1.00 0.00 O ATOM 615 CB LYS A 43 -6.364 1.197 6.042 1.00 0.00 C ATOM 616 CG LYS A 43 -7.099 -0.103 5.764 1.00 0.00 C ATOM 617 CD LYS A 43 -6.206 -1.310 5.998 1.00 0.00 C ATOM 618 CE LYS A 43 -6.836 -2.583 5.454 1.00 0.00 C ATOM 619 NZ LYS A 43 -6.406 -3.785 6.221 1.00 0.00 N ATOM 0 H LYS A 43 -6.190 3.598 7.138 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.264 2.516 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.432 1.206 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.097 1.235 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.978 -0.170 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.455 -0.107 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.240 -1.148 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.018 -1.423 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.922 -2.496 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.563 -2.704 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.187 -4.470 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.586 -4.221 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.144 -3.505 7.188 1.00 0.00 H new ATOM 633 N ASP A 44 -9.578 2.686 5.488 1.00 0.00 N ATOM 634 CA ASP A 44 -10.964 2.631 5.938 1.00 0.00 C ATOM 635 C ASP A 44 -11.203 3.608 7.085 1.00 0.00 C ATOM 636 O ASP A 44 -11.797 3.253 8.103 1.00 0.00 O ATOM 637 CB ASP A 44 -11.324 1.211 6.379 1.00 0.00 C ATOM 638 CG ASP A 44 -11.842 0.363 5.234 1.00 0.00 C ATOM 639 OD1 ASP A 44 -11.354 0.539 4.098 1.00 0.00 O ATOM 640 OD2 ASP A 44 -12.736 -0.476 5.474 1.00 0.00 O ATOM 0 H ASP A 44 -9.459 3.004 4.526 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.602 2.917 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.444 0.734 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.079 1.258 7.163 1.00 0.00 H new ATOM 645 N ARG A 45 -10.735 4.840 6.913 1.00 0.00 N ATOM 646 CA ARG A 45 -10.895 5.868 7.934 1.00 0.00 C ATOM 647 C ARG A 45 -10.178 5.471 9.222 1.00 0.00 C ATOM 648 O ARG A 45 -10.724 5.607 10.317 1.00 0.00 O ATOM 649 CB ARG A 45 -12.379 6.108 8.218 1.00 0.00 C ATOM 650 CG ARG A 45 -13.118 6.773 7.068 1.00 0.00 C ATOM 651 CD ARG A 45 -13.050 8.289 7.163 1.00 0.00 C ATOM 652 NE ARG A 45 -13.761 8.796 8.334 1.00 0.00 N ATOM 653 CZ ARG A 45 -13.494 9.964 8.907 1.00 0.00 C ATOM 654 NH1 ARG A 45 -12.537 10.742 8.420 1.00 0.00 N ATOM 655 NH2 ARG A 45 -14.185 10.357 9.969 1.00 0.00 N ATOM 0 H ARG A 45 -10.242 5.150 6.076 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.450 6.790 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.856 5.154 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.474 6.730 9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.688 6.447 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.160 6.454 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.007 8.603 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.477 8.728 6.261 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.503 8.222 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.004 10.444 7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.334 11.639 8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.922 9.762 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.979 11.254 10.408 1.00 0.00 H new ATOM 669 N LYS A 46 -8.951 4.981 9.083 1.00 0.00 N ATOM 670 CA LYS A 46 -8.158 4.565 10.233 1.00 0.00 C ATOM 671 C LYS A 46 -6.669 4.768 9.970 1.00 0.00 C ATOM 672 O LYS A 46 -6.098 4.152 9.071 1.00 0.00 O ATOM 673 CB LYS A 46 -8.432 3.096 10.563 1.00 0.00 C ATOM 674 CG LYS A 46 -9.772 2.865 11.240 1.00 0.00 C ATOM 675 CD LYS A 46 -10.138 1.390 11.263 1.00 0.00 C ATOM 676 CE LYS A 46 -9.558 0.691 12.483 1.00 0.00 C ATOM 677 NZ LYS A 46 -10.356 0.963 13.710 1.00 0.00 N ATOM 0 H LYS A 46 -8.484 4.862 8.184 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.446 5.183 11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.394 2.512 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.638 2.723 11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.736 3.248 12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.547 3.425 10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.223 1.283 11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.770 0.908 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.523 -0.384 12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.531 1.022 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.928 0.469 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.368 1.986 13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.330 0.624 13.573 1.00 0.00 H new ATOM 691 N ALA A 47 -6.046 5.636 10.761 1.00 0.00 N ATOM 692 CA ALA A 47 -4.623 5.917 10.615 1.00 0.00 C ATOM 693 C ALA A 47 -3.801 4.634 10.669 1.00 0.00 C ATOM 694 O ALA A 47 -3.893 3.867 11.628 1.00 0.00 O ATOM 695 CB ALA A 47 -4.164 6.886 11.694 1.00 0.00 C ATOM 0 H ALA A 47 -6.504 6.156 11.509 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.467 6.376 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.100 7.087 11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.722 7.818 11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.341 6.448 12.676 1.00 0.00 H new ATOM 701 N ILE A 48 -3.000 4.406 9.634 1.00 0.00 N ATOM 702 CA ILE A 48 -2.162 3.216 9.565 1.00 0.00 C ATOM 703 C ILE A 48 -0.819 3.448 10.248 1.00 0.00 C ATOM 704 O ILE A 48 -0.211 4.508 10.101 1.00 0.00 O ATOM 705 CB ILE A 48 -1.915 2.785 8.107 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.246 2.621 7.368 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.118 1.490 8.065 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.086 2.276 5.905 1.00 0.00 C ATOM 0 H ILE A 48 -2.914 5.030 8.832 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.699 2.422 10.085 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.336 3.562 7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.829 1.840 7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.817 3.546 7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.952 1.199 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.158 1.638 8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.673 0.704 8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.069 2.175 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.530 3.068 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.543 1.336 5.810 1.00 0.00 H new ATOM 720 N ARG A 49 -0.360 2.449 10.995 1.00 0.00 N ATOM 721 CA ARG A 49 0.912 2.544 11.701 1.00 0.00 C ATOM 722 C ARG A 49 1.939 1.589 11.101 1.00 0.00 C ATOM 723 O ARG A 49 1.684 0.392 10.964 1.00 0.00 O ATOM 724 CB ARG A 49 0.719 2.236 13.187 1.00 0.00 C ATOM 725 CG ARG A 49 -0.255 3.173 13.882 1.00 0.00 C ATOM 726 CD ARG A 49 -1.693 2.708 13.714 1.00 0.00 C ATOM 727 NE ARG A 49 -1.944 1.445 14.404 1.00 0.00 N ATOM 728 CZ ARG A 49 -3.063 0.743 14.266 1.00 0.00 C ATOM 729 NH1 ARG A 49 -4.028 1.177 13.467 1.00 0.00 N ATOM 730 NH2 ARG A 49 -3.218 -0.397 14.927 1.00 0.00 N ATOM 0 H ARG A 49 -0.850 1.564 11.127 1.00 0.00 H new ATOM 0 HA ARG A 49 1.284 3.563 11.594 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.363 1.211 13.294 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.685 2.292 13.689 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.012 3.230 14.943 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.147 4.179 13.475 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.368 3.472 14.099 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.915 2.592 12.653 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.221 1.083 15.025 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.912 2.052 12.956 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.886 0.636 13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.477 -0.735 15.542 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.078 -0.935 14.820 1.00 0.00 H new ATOM 744 N LYS A 50 3.101 2.125 10.745 1.00 0.00 N ATOM 745 CA LYS A 50 4.169 1.322 10.161 1.00 0.00 C ATOM 746 C LYS A 50 4.459 0.095 11.020 1.00 0.00 C ATOM 747 O LYS A 50 4.731 0.213 12.215 1.00 0.00 O ATOM 748 CB LYS A 50 5.439 2.161 10.005 1.00 0.00 C ATOM 749 CG LYS A 50 6.581 1.416 9.335 1.00 0.00 C ATOM 750 CD LYS A 50 7.638 2.372 8.810 1.00 0.00 C ATOM 751 CE LYS A 50 8.536 2.880 9.928 1.00 0.00 C ATOM 752 NZ LYS A 50 9.457 3.951 9.457 1.00 0.00 N ATOM 0 H LYS A 50 3.328 3.114 10.851 1.00 0.00 H new ATOM 0 HA LYS A 50 3.841 0.986 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.206 3.052 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.764 2.499 10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.034 0.726 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.192 0.815 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.243 1.868 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.154 3.216 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.921 3.263 10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.119 2.051 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.052 4.270 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.062 3.579 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.901 4.753 9.096 1.00 0.00 H new ATOM 766 N SER A 51 4.401 -1.081 10.403 1.00 0.00 N ATOM 767 CA SER A 51 4.655 -2.329 11.113 1.00 0.00 C ATOM 768 C SER A 51 4.984 -3.452 10.134 1.00 0.00 C ATOM 769 O SER A 51 4.859 -3.289 8.921 1.00 0.00 O ATOM 770 CB SER A 51 3.442 -2.715 11.961 1.00 0.00 C ATOM 771 OG SER A 51 2.366 -3.147 11.146 1.00 0.00 O ATOM 0 H SER A 51 4.181 -1.196 9.414 1.00 0.00 H new ATOM 0 HA SER A 51 5.513 -2.178 11.768 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.718 -3.509 12.655 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.128 -1.861 12.561 1.00 0.00 H new ATOM 0 HG SER A 51 1.604 -3.390 11.712 1.00 0.00 H new ATOM 777 N GLN A 52 5.404 -4.593 10.672 1.00 0.00 N ATOM 778 CA GLN A 52 5.752 -5.744 9.846 1.00 0.00 C ATOM 779 C GLN A 52 4.806 -5.866 8.656 1.00 0.00 C ATOM 780 O GLN A 52 5.234 -6.129 7.533 1.00 0.00 O ATOM 781 CB GLN A 52 5.711 -7.026 10.679 1.00 0.00 C ATOM 782 CG GLN A 52 6.441 -8.193 10.034 1.00 0.00 C ATOM 783 CD GLN A 52 6.088 -9.524 10.669 1.00 0.00 C ATOM 784 OE1 GLN A 52 6.284 -9.724 11.868 1.00 0.00 O ATOM 785 NE2 GLN A 52 5.565 -10.443 9.866 1.00 0.00 N ATOM 0 H GLN A 52 5.511 -4.745 11.675 1.00 0.00 H new ATOM 0 HA GLN A 52 6.764 -5.596 9.468 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.151 -6.829 11.657 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.671 -7.307 10.848 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.199 -8.226 8.972 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.516 -8.032 10.111 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.420 -10.234 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.308 -11.358 10.237 1.00 0.00 H new ATOM 794 N LYS A 53 3.516 -5.672 8.910 1.00 0.00 N ATOM 795 CA LYS A 53 2.507 -5.760 7.861 1.00 0.00 C ATOM 796 C LYS A 53 2.661 -4.617 6.862 1.00 0.00 C ATOM 797 O LYS A 53 2.843 -4.845 5.666 1.00 0.00 O ATOM 798 CB LYS A 53 1.104 -5.733 8.470 1.00 0.00 C ATOM 799 CG LYS A 53 -0.003 -5.586 7.441 1.00 0.00 C ATOM 800 CD LYS A 53 -0.126 -6.826 6.571 1.00 0.00 C ATOM 801 CE LYS A 53 -1.094 -7.834 7.171 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.486 -7.306 7.218 1.00 0.00 N ATOM 0 H LYS A 53 3.145 -5.453 9.834 1.00 0.00 H new ATOM 0 HA LYS A 53 2.649 -6.703 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.944 -6.652 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.041 -4.908 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.950 -5.401 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.197 -4.718 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.467 -6.541 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.854 -7.287 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.073 -8.752 6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.770 -8.094 8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.136 -8.066 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.539 -6.527 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.757 -6.956 6.277 1.00 0.00 H new ATOM 816 N TYR A 54 2.588 -3.388 7.361 1.00 0.00 N ATOM 817 CA TYR A 54 2.719 -2.209 6.512 1.00 0.00 C ATOM 818 C TYR A 54 4.124 -1.624 6.605 1.00 0.00 C ATOM 819 O TYR A 54 4.556 -1.182 7.670 1.00 0.00 O ATOM 820 CB TYR A 54 1.686 -1.153 6.909 1.00 0.00 C ATOM 821 CG TYR A 54 0.268 -1.674 6.942 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.362 -2.107 5.782 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.443 -1.735 8.135 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.658 -2.584 5.808 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.739 -2.211 8.170 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.343 -2.634 7.004 1.00 0.00 C ATOM 827 OH TYR A 54 -3.634 -3.110 7.034 1.00 0.00 O ATOM 0 H TYR A 54 2.439 -3.182 8.349 1.00 0.00 H new ATOM 0 HA TYR A 54 2.540 -2.513 5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.942 -0.759 7.892 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.742 -0.321 6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.171 -2.070 4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.026 -1.405 9.050 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.133 -2.916 4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.277 -2.252 9.106 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.973 -3.080 7.953 1.00 0.00 H new ATOM 837 N ASP A 55 4.833 -1.623 5.482 1.00 0.00 N ATOM 838 CA ASP A 55 6.190 -1.090 5.434 1.00 0.00 C ATOM 839 C ASP A 55 6.232 0.219 4.651 1.00 0.00 C ATOM 840 O ASP A 55 6.334 0.218 3.424 1.00 0.00 O ATOM 841 CB ASP A 55 7.138 -2.109 4.800 1.00 0.00 C ATOM 842 CG ASP A 55 6.911 -3.514 5.321 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.736 -3.671 6.548 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.907 -4.457 4.503 1.00 0.00 O ATOM 0 H ASP A 55 4.491 -1.985 4.592 1.00 0.00 H new ATOM 0 HA ASP A 55 6.513 -0.891 6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.005 -2.100 3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.169 -1.814 4.997 1.00 0.00 H new ATOM 849 N VAL A 56 6.153 1.334 5.370 1.00 0.00 N ATOM 850 CA VAL A 56 6.182 2.651 4.743 1.00 0.00 C ATOM 851 C VAL A 56 7.585 2.997 4.257 1.00 0.00 C ATOM 852 O VAL A 56 8.477 3.285 5.055 1.00 0.00 O ATOM 853 CB VAL A 56 5.703 3.745 5.714 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.648 5.094 5.014 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.345 3.382 6.298 1.00 0.00 C ATOM 0 H VAL A 56 6.068 1.352 6.386 1.00 0.00 H new ATOM 0 HA VAL A 56 5.505 2.611 3.890 1.00 0.00 H new ATOM 0 HB VAL A 56 6.418 3.817 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.307 5.855 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.641 5.356 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.956 5.040 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.022 4.166 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.618 3.281 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.422 2.438 6.838 1.00 0.00 H new ATOM 865 N VAL A 57 7.774 2.966 2.941 1.00 0.00 N ATOM 866 CA VAL A 57 9.068 3.278 2.347 1.00 0.00 C ATOM 867 C VAL A 57 9.045 4.640 1.662 1.00 0.00 C ATOM 868 O VAL A 57 8.590 4.766 0.525 1.00 0.00 O ATOM 869 CB VAL A 57 9.489 2.207 1.323 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.843 2.548 0.719 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.516 0.831 1.972 1.00 0.00 C ATOM 0 H VAL A 57 7.047 2.728 2.266 1.00 0.00 H new ATOM 0 HA VAL A 57 9.793 3.296 3.161 1.00 0.00 H new ATOM 0 HB VAL A 57 8.754 2.189 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.124 1.780 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.784 3.513 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.592 2.595 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.815 0.087 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.229 0.832 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.523 0.588 2.351 1.00 0.00 H new ATOM 881 N CYS A 58 9.538 5.656 2.361 1.00 0.00 N ATOM 882 CA CYS A 58 9.574 7.010 1.820 1.00 0.00 C ATOM 883 C CYS A 58 10.946 7.325 1.233 1.00 0.00 C ATOM 884 O CYS A 58 11.833 7.813 1.932 1.00 0.00 O ATOM 885 CB CYS A 58 9.227 8.026 2.910 1.00 0.00 C ATOM 886 SG CYS A 58 9.414 9.750 2.398 1.00 0.00 S ATOM 0 H CYS A 58 9.918 5.568 3.303 1.00 0.00 H new ATOM 0 HA CYS A 58 8.834 7.076 1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.198 7.863 3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.863 7.844 3.777 1.00 0.00 H new ATOM 0 HG CYS A 58 9.096 10.533 3.386 1.00 0.00 H new ATOM 892 N GLU A 59 11.112 7.040 -0.055 1.00 0.00 N ATOM 893 CA GLU A 59 12.377 7.291 -0.735 1.00 0.00 C ATOM 894 C GLU A 59 12.423 8.711 -1.292 1.00 0.00 C ATOM 895 O GLU A 59 12.880 8.936 -2.412 1.00 0.00 O ATOM 896 CB GLU A 59 12.583 6.281 -1.866 1.00 0.00 C ATOM 897 CG GLU A 59 12.838 4.865 -1.378 1.00 0.00 C ATOM 898 CD GLU A 59 14.130 4.742 -0.595 1.00 0.00 C ATOM 899 OE1 GLU A 59 15.184 5.158 -1.119 1.00 0.00 O ATOM 900 OE2 GLU A 59 14.086 4.229 0.544 1.00 0.00 O ATOM 0 H GLU A 59 10.387 6.636 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 59 13.180 7.179 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.702 6.282 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.425 6.602 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.006 4.545 -0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.870 4.190 -2.233 1.00 0.00 H new ATOM 907 N GLY A 60 11.945 9.667 -0.500 1.00 0.00 N ATOM 908 CA GLY A 60 11.940 11.053 -0.931 1.00 0.00 C ATOM 909 C GLY A 60 10.647 11.441 -1.619 1.00 0.00 C ATOM 910 O GLY A 60 9.686 11.853 -0.968 1.00 0.00 O ATOM 0 H GLY A 60 11.562 9.506 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.097 11.699 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.775 11.222 -1.611 1.00 0.00 H new ATOM 914 N THR A 61 10.620 11.312 -2.942 1.00 0.00 N ATOM 915 CA THR A 61 9.436 11.655 -3.720 1.00 0.00 C ATOM 916 C THR A 61 8.683 10.404 -4.156 1.00 0.00 C ATOM 917 O THR A 61 8.076 10.374 -5.226 1.00 0.00 O ATOM 918 CB THR A 61 9.804 12.480 -4.968 1.00 0.00 C ATOM 919 OG1 THR A 61 10.691 11.731 -5.807 1.00 0.00 O ATOM 920 CG2 THR A 61 10.460 13.795 -4.574 1.00 0.00 C ATOM 0 H THR A 61 11.405 10.972 -3.497 1.00 0.00 H new ATOM 0 HA THR A 61 8.795 12.254 -3.073 1.00 0.00 H new ATOM 0 HB THR A 61 8.887 12.699 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.919 12.262 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.711 14.360 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.771 14.376 -3.960 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.369 13.593 -4.007 1.00 0.00 H new ATOM 928 N MET A 62 8.726 9.372 -3.320 1.00 0.00 N ATOM 929 CA MET A 62 8.045 8.117 -3.619 1.00 0.00 C ATOM 930 C MET A 62 7.679 7.378 -2.336 1.00 0.00 C ATOM 931 O MET A 62 8.555 6.945 -1.587 1.00 0.00 O ATOM 932 CB MET A 62 8.927 7.230 -4.499 1.00 0.00 C ATOM 933 CG MET A 62 8.352 5.843 -4.735 1.00 0.00 C ATOM 934 SD MET A 62 9.628 4.592 -4.968 1.00 0.00 S ATOM 935 CE MET A 62 9.916 4.083 -3.275 1.00 0.00 C ATOM 0 H MET A 62 9.225 9.380 -2.430 1.00 0.00 H new ATOM 0 HA MET A 62 7.126 8.350 -4.157 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.076 7.721 -5.461 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.908 7.133 -4.035 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.726 5.564 -3.887 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.707 5.866 -5.613 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.911 3.645 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.844 4.949 -2.617 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.169 3.345 -2.985 1.00 0.00 H new ATOM 945 N ALA A 63 6.381 7.236 -2.089 1.00 0.00 N ATOM 946 CA ALA A 63 5.901 6.548 -0.898 1.00 0.00 C ATOM 947 C ALA A 63 5.307 5.188 -1.251 1.00 0.00 C ATOM 948 O ALA A 63 4.245 5.105 -1.866 1.00 0.00 O ATOM 949 CB ALA A 63 4.871 7.402 -0.173 1.00 0.00 C ATOM 0 H ALA A 63 5.643 7.589 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 63 6.752 6.384 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.521 6.875 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.325 8.348 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.028 7.596 -0.836 1.00 0.00 H new ATOM 955 N MET A 64 6.002 4.125 -0.859 1.00 0.00 N ATOM 956 CA MET A 64 5.542 2.768 -1.135 1.00 0.00 C ATOM 957 C MET A 64 5.084 2.079 0.146 1.00 0.00 C ATOM 958 O MET A 64 5.810 2.047 1.140 1.00 0.00 O ATOM 959 CB MET A 64 6.657 1.954 -1.795 1.00 0.00 C ATOM 960 CG MET A 64 6.175 0.648 -2.406 1.00 0.00 C ATOM 961 SD MET A 64 7.486 -0.243 -3.265 1.00 0.00 S ATOM 962 CE MET A 64 8.500 -0.767 -1.884 1.00 0.00 C ATOM 0 H MET A 64 6.884 4.176 -0.350 1.00 0.00 H new ATOM 0 HA MET A 64 4.694 2.829 -1.817 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.126 2.558 -2.572 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.425 1.737 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.764 0.014 -1.620 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.364 0.856 -3.104 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.037 -1.677 -2.152 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.216 0.018 -1.639 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.865 -0.961 -1.020 1.00 0.00 H new ATOM 972 N LEU A 65 3.875 1.528 0.116 1.00 0.00 N ATOM 973 CA LEU A 65 3.319 0.839 1.275 1.00 0.00 C ATOM 974 C LEU A 65 3.196 -0.658 1.011 1.00 0.00 C ATOM 975 O LEU A 65 2.281 -1.104 0.320 1.00 0.00 O ATOM 976 CB LEU A 65 1.949 1.420 1.630 1.00 0.00 C ATOM 977 CG LEU A 65 1.253 0.804 2.844 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.939 1.237 4.130 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.219 1.190 2.867 1.00 0.00 C ATOM 0 H LEU A 65 3.261 1.545 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 65 3.998 0.987 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.065 2.489 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.294 1.309 0.766 1.00 0.00 H new ATOM 0 HG LEU A 65 1.323 -0.281 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.430 0.789 4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.979 0.910 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.901 2.323 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.699 0.743 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.310 2.275 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.704 0.829 1.960 1.00 0.00 H new ATOM 991 N VAL A 66 4.124 -1.430 1.569 1.00 0.00 N ATOM 992 CA VAL A 66 4.118 -2.878 1.397 1.00 0.00 C ATOM 993 C VAL A 66 3.136 -3.541 2.355 1.00 0.00 C ATOM 994 O VAL A 66 3.275 -3.435 3.574 1.00 0.00 O ATOM 995 CB VAL A 66 5.520 -3.475 1.621 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.587 -4.896 1.082 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.582 -2.600 0.973 1.00 0.00 C ATOM 0 H VAL A 66 4.889 -1.077 2.144 1.00 0.00 H new ATOM 0 HA VAL A 66 3.807 -3.074 0.371 1.00 0.00 H new ATOM 0 HB VAL A 66 5.715 -3.508 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.585 -5.302 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.853 -5.515 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.372 -4.890 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.566 -3.037 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.394 -2.532 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.548 -1.602 1.411 1.00 0.00 H new ATOM 1007 N ILE A 67 2.143 -4.225 1.797 1.00 0.00 N ATOM 1008 CA ILE A 67 1.138 -4.907 2.602 1.00 0.00 C ATOM 1009 C ILE A 67 1.373 -6.414 2.616 1.00 0.00 C ATOM 1010 O ILE A 67 0.714 -7.162 1.894 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.285 -4.626 2.084 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.565 -3.122 2.089 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.312 -5.364 2.930 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.515 -2.681 0.998 1.00 0.00 C ATOM 0 H ILE A 67 2.013 -4.321 0.790 1.00 0.00 H new ATOM 0 HA ILE A 67 1.230 -4.518 3.616 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.360 -4.987 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.980 -2.841 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.377 -2.585 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.313 -5.155 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.121 -6.436 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.239 -5.030 3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.668 -1.604 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.092 -2.930 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.471 -3.191 1.120 1.00 0.00 H new ATOM 1026 N ARG A 68 2.317 -6.852 3.442 1.00 0.00 N ATOM 1027 CA ARG A 68 2.640 -8.270 3.550 1.00 0.00 C ATOM 1028 C ARG A 68 1.371 -9.108 3.674 1.00 0.00 C ATOM 1029 O ARG A 68 0.421 -8.719 4.353 1.00 0.00 O ATOM 1030 CB ARG A 68 3.548 -8.518 4.756 1.00 0.00 C ATOM 1031 CG ARG A 68 5.026 -8.342 4.452 1.00 0.00 C ATOM 1032 CD ARG A 68 5.645 -9.630 3.931 1.00 0.00 C ATOM 1033 NE ARG A 68 6.157 -10.467 5.012 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.132 -10.092 5.834 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.696 -8.900 5.698 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.543 -10.911 6.794 1.00 0.00 N ATOM 0 H ARG A 68 2.872 -6.246 4.046 1.00 0.00 H new ATOM 0 HA ARG A 68 3.165 -8.568 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.267 -7.835 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.380 -9.530 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.155 -7.550 3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.549 -8.025 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.899 -10.187 3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.456 -9.390 3.243 1.00 0.00 H new ATOM 0 HE ARG A 68 5.744 -11.390 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.382 -8.268 4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.444 -8.615 6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.111 -11.829 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.291 -10.623 7.425 1.00 0.00 H new ATOM 1050 N GLY A 69 1.363 -10.262 3.013 1.00 0.00 N ATOM 1051 CA GLY A 69 0.206 -11.136 3.061 1.00 0.00 C ATOM 1052 C GLY A 69 -1.102 -10.370 3.032 1.00 0.00 C ATOM 1053 O GLY A 69 -1.707 -10.122 4.075 1.00 0.00 O ATOM 0 H GLY A 69 2.137 -10.607 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.239 -11.824 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.249 -11.741 3.967 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.539 -9.993 1.835 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.783 -9.250 1.675 1.00 0.00 C ATOM 1059 C ALA A 70 -3.965 -10.195 1.487 1.00 0.00 C ATOM 1060 O ALA A 70 -4.193 -10.709 0.392 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.678 -8.292 0.498 1.00 0.00 C ATOM 0 H ALA A 70 -1.050 -10.190 0.962 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.953 -8.673 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.614 -7.744 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.864 -7.589 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.481 -8.856 -0.414 1.00 0.00 H new ATOM 1067 N SER A 71 -4.714 -10.420 2.562 1.00 0.00 N ATOM 1068 CA SER A 71 -5.871 -11.307 2.515 1.00 0.00 C ATOM 1069 C SER A 71 -7.130 -10.538 2.127 1.00 0.00 C ATOM 1070 O SER A 71 -7.136 -9.306 2.099 1.00 0.00 O ATOM 1071 CB SER A 71 -6.073 -11.987 3.871 1.00 0.00 C ATOM 1072 OG SER A 71 -5.045 -12.927 4.128 1.00 0.00 O ATOM 0 H SER A 71 -4.541 -10.001 3.476 1.00 0.00 H new ATOM 0 HA SER A 71 -5.684 -12.069 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.088 -11.235 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.041 -12.488 3.890 1.00 0.00 H new ATOM 0 HG SER A 71 -5.196 -13.346 5.001 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.195 -11.272 1.826 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.461 -10.661 1.438 1.00 0.00 C ATOM 1080 C LEU A 72 -9.787 -9.470 2.333 1.00 0.00 C ATOM 1081 O LEU A 72 -10.237 -8.427 1.858 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.590 -11.691 1.509 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.368 -12.985 0.726 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.225 -14.106 1.294 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.672 -12.774 -0.750 1.00 0.00 C ATOM 0 H LEU A 72 -8.207 -12.292 1.843 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.366 -10.306 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.756 -11.947 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.505 -11.223 1.146 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.321 -13.271 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.054 -15.019 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.959 -14.274 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.277 -13.829 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.509 -13.705 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.710 -12.464 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.015 -12.002 -1.150 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.556 -9.631 3.631 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.821 -8.568 4.594 1.00 0.00 C ATOM 1099 C LYS A 73 -8.989 -7.329 4.280 1.00 0.00 C ATOM 1100 O LYS A 73 -9.520 -6.224 4.173 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.520 -9.051 6.014 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.643 -9.868 6.630 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.206 -10.527 7.928 1.00 0.00 C ATOM 1104 CE LYS A 73 -11.388 -11.133 8.670 1.00 0.00 C ATOM 1105 NZ LYS A 73 -11.055 -11.436 10.089 1.00 0.00 N ATOM 0 H LYS A 73 -9.185 -10.488 4.041 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.876 -8.303 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.611 -9.652 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.321 -8.187 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.502 -9.224 6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.968 -10.632 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.472 -11.304 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.714 -9.791 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.232 -10.444 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.702 -12.048 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.886 -11.847 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.267 -12.113 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.780 -10.559 10.576 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.683 -7.522 4.132 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.777 -6.420 3.828 1.00 0.00 C ATOM 1121 C ASP A 74 -7.389 -5.485 2.790 1.00 0.00 C ATOM 1122 O ASP A 74 -7.224 -4.267 2.863 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.437 -6.958 3.322 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.628 -7.622 4.418 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -5.159 -8.544 5.072 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.464 -7.220 4.622 1.00 0.00 O ATOM 0 H ASP A 74 -7.228 -8.431 4.218 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.610 -5.856 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.616 -7.676 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.859 -6.139 2.893 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.094 -6.062 1.823 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.731 -5.281 0.771 1.00 0.00 C ATOM 1133 C ALA A 75 -9.548 -4.134 1.356 1.00 0.00 C ATOM 1134 O ALA A 75 -10.481 -4.354 2.127 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.614 -6.174 -0.090 1.00 0.00 C ATOM 0 H ALA A 75 -8.238 -7.069 1.747 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.947 -4.853 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.083 -5.577 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.006 -6.956 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.385 -6.630 0.531 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.189 -2.908 0.986 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.899 -1.745 1.485 1.00 0.00 C ATOM 1143 C GLY A 76 -9.493 -0.469 0.774 1.00 0.00 C ATOM 1144 O GLY A 76 -8.834 -0.513 -0.265 1.00 0.00 O ATOM 0 H GLY A 76 -8.419 -2.700 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.971 -1.899 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.710 -1.638 2.553 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.889 0.670 1.333 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.564 1.963 0.743 1.00 0.00 C ATOM 1150 C GLU A 77 -8.321 2.562 1.395 1.00 0.00 C ATOM 1151 O GLU A 77 -8.194 2.574 2.619 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.744 2.927 0.889 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.837 3.950 -0.230 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.968 4.938 -0.025 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.123 5.435 1.111 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.699 5.215 -0.998 1.00 0.00 O ATOM 0 H GLU A 77 -10.435 0.724 2.193 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.359 1.808 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.670 2.352 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.659 3.450 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.894 4.492 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.979 3.433 -1.179 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.407 3.057 0.568 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.173 3.655 1.063 1.00 0.00 C ATOM 1165 C TYR A 78 -6.100 5.135 0.701 1.00 0.00 C ATOM 1166 O TYR A 78 -5.764 5.496 -0.428 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.960 2.919 0.490 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.859 1.478 0.938 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.257 1.147 2.146 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.364 0.449 0.154 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.161 -0.168 2.560 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.275 -0.869 0.561 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.672 -1.172 1.764 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.580 -2.483 2.171 1.00 0.00 O ATOM 0 H TYR A 78 -7.497 3.056 -0.448 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.166 3.565 2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.008 2.950 -0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.053 3.447 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.857 1.931 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.834 0.683 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.689 -0.408 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.675 -1.657 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.479 -2.840 2.329 1.00 0.00 H new ATOM 1184 N THR A 79 -6.419 5.990 1.668 1.00 0.00 N ATOM 1185 CA THR A 79 -6.391 7.431 1.453 1.00 0.00 C ATOM 1186 C THR A 79 -5.088 8.038 1.959 1.00 0.00 C ATOM 1187 O THR A 79 -4.831 8.064 3.164 1.00 0.00 O ATOM 1188 CB THR A 79 -7.574 8.126 2.154 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.812 7.635 1.628 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.501 9.635 1.970 1.00 0.00 C ATOM 0 H THR A 79 -6.700 5.709 2.608 1.00 0.00 H new ATOM 0 HA THR A 79 -6.469 7.591 0.378 1.00 0.00 H new ATOM 0 HB THR A 79 -7.519 7.903 3.219 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.559 8.080 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.346 10.104 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.571 10.009 2.398 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.534 9.874 0.907 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.269 8.525 1.034 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.990 9.132 1.387 1.00 0.00 C ATOM 1200 C CYS A 80 -3.146 10.631 1.618 1.00 0.00 C ATOM 1201 O CYS A 80 -3.017 11.428 0.689 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.960 8.877 0.286 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.968 7.386 0.534 1.00 0.00 S ATOM 0 H CYS A 80 -4.467 8.512 0.034 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.641 8.675 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.478 8.801 -0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.294 9.737 0.220 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.626 6.546 1.277 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.424 11.008 2.862 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.600 12.412 3.214 1.00 0.00 C ATOM 1211 C GLU A 81 -2.250 13.096 3.413 1.00 0.00 C ATOM 1212 O GLU A 81 -1.509 12.773 4.341 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.442 12.541 4.485 1.00 0.00 C ATOM 1214 CG GLU A 81 -5.277 13.809 4.535 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.788 14.116 5.929 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.037 14.733 6.713 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -6.939 13.740 6.236 1.00 0.00 O ATOM 0 H GLU A 81 -3.532 10.361 3.643 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.120 12.904 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.103 11.678 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.782 12.516 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.679 14.648 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.123 13.709 3.856 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.937 14.042 2.533 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.678 14.773 2.612 1.00 0.00 C ATOM 1226 C VAL A 82 -0.904 16.212 3.060 1.00 0.00 C ATOM 1227 O VAL A 82 -2.032 16.612 3.348 1.00 0.00 O ATOM 1228 CB VAL A 82 0.054 14.777 1.256 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.528 15.842 0.339 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.546 14.992 1.458 1.00 0.00 C ATOM 0 H VAL A 82 -2.538 14.320 1.757 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.060 14.260 3.349 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.089 13.806 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.001 15.830 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.585 15.638 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.417 16.822 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.048 14.992 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.712 15.949 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.949 14.189 2.076 1.00 0.00 H new ATOM 1240 N GLU A 83 0.175 16.986 3.115 1.00 0.00 N ATOM 1241 CA GLU A 83 0.094 18.382 3.528 1.00 0.00 C ATOM 1242 C GLU A 83 -1.268 18.974 3.177 1.00 0.00 C ATOM 1243 O GLU A 83 -2.105 19.195 4.053 1.00 0.00 O ATOM 1244 CB GLU A 83 1.204 19.200 2.864 1.00 0.00 C ATOM 1245 CG GLU A 83 1.683 18.616 1.545 1.00 0.00 C ATOM 1246 CD GLU A 83 2.208 19.675 0.595 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.067 20.477 1.018 1.00 0.00 O ATOM 1248 OE2 GLU A 83 1.759 19.702 -0.570 1.00 0.00 O ATOM 0 H GLU A 83 1.116 16.670 2.879 1.00 0.00 H new ATOM 0 HA GLU A 83 0.222 18.422 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.844 20.215 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.049 19.273 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.469 17.886 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.861 18.081 1.069 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.483 19.230 1.891 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.743 19.795 1.424 1.00 0.00 C ATOM 1257 C ALA A 84 -3.443 18.848 0.455 1.00 0.00 C ATOM 1258 O ALA A 84 -4.671 18.777 0.421 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.503 21.145 0.765 1.00 0.00 C ATOM 0 H ALA A 84 -0.800 19.055 1.153 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.393 19.935 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.452 21.556 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.053 21.827 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.832 21.021 -0.085 1.00 0.00 H new ATOM 1265 N SER A 85 -2.654 18.123 -0.332 1.00 0.00 N ATOM 1266 CA SER A 85 -3.199 17.184 -1.305 1.00 0.00 C ATOM 1267 C SER A 85 -3.560 15.860 -0.638 1.00 0.00 C ATOM 1268 O SER A 85 -3.322 15.666 0.554 1.00 0.00 O ATOM 1269 CB SER A 85 -2.193 16.944 -2.432 1.00 0.00 C ATOM 1270 OG SER A 85 -2.854 16.720 -3.666 1.00 0.00 O ATOM 0 H SER A 85 -1.635 18.168 -0.315 1.00 0.00 H new ATOM 0 HA SER A 85 -4.106 17.618 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.530 17.805 -2.522 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.568 16.085 -2.189 1.00 0.00 H new ATOM 0 HG SER A 85 -2.189 16.571 -4.371 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.135 14.950 -1.417 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.529 13.643 -0.906 1.00 0.00 C ATOM 1278 C LYS A 86 -5.063 12.758 -2.028 1.00 0.00 C ATOM 1279 O LYS A 86 -5.668 13.247 -2.982 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.591 13.798 0.185 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.297 12.499 0.535 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.680 12.755 1.111 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.743 12.767 0.023 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.920 13.595 0.407 1.00 0.00 N ATOM 0 H LYS A 86 -4.339 15.094 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.646 13.166 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.122 14.200 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.332 14.528 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.382 11.878 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.699 11.941 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.918 11.985 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.685 13.710 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.313 13.154 -0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.067 11.746 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.622 13.578 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.346 13.211 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.615 14.575 0.575 1.00 0.00 H new ATOM 1298 N SER A 87 -4.836 11.454 -1.906 1.00 0.00 N ATOM 1299 CA SER A 87 -5.293 10.501 -2.911 1.00 0.00 C ATOM 1300 C SER A 87 -6.203 9.448 -2.287 1.00 0.00 C ATOM 1301 O SER A 87 -6.389 9.412 -1.070 1.00 0.00 O ATOM 1302 CB SER A 87 -4.096 9.824 -3.583 1.00 0.00 C ATOM 1303 OG SER A 87 -4.508 9.048 -4.695 1.00 0.00 O ATOM 0 H SER A 87 -4.338 11.033 -1.121 1.00 0.00 H new ATOM 0 HA SER A 87 -5.862 11.048 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.381 10.580 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.582 9.188 -2.862 1.00 0.00 H new ATOM 0 HG SER A 87 -4.952 9.626 -5.350 1.00 0.00 H new ATOM 1309 N THR A 88 -6.770 8.591 -3.130 1.00 0.00 N ATOM 1310 CA THR A 88 -7.662 7.537 -2.664 1.00 0.00 C ATOM 1311 C THR A 88 -7.696 6.371 -3.645 1.00 0.00 C ATOM 1312 O THR A 88 -7.840 6.567 -4.852 1.00 0.00 O ATOM 1313 CB THR A 88 -9.096 8.064 -2.460 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.084 9.180 -1.563 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.000 6.972 -1.908 1.00 0.00 C ATOM 0 H THR A 88 -6.627 8.606 -4.140 1.00 0.00 H new ATOM 0 HA THR A 88 -7.270 7.192 -1.707 1.00 0.00 H new ATOM 0 HB THR A 88 -9.485 8.381 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.998 9.510 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.007 7.367 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.029 6.136 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.612 6.629 -0.949 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.564 5.157 -3.120 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.582 3.959 -3.950 1.00 0.00 C ATOM 1325 C ALA A 89 -8.301 2.814 -3.245 1.00 0.00 C ATOM 1326 O ALA A 89 -8.621 2.905 -2.060 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.164 3.549 -4.316 1.00 0.00 C ATOM 0 H ALA A 89 -7.443 4.977 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.129 4.189 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.193 2.653 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.683 4.357 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.599 3.343 -3.407 1.00 0.00 H new ATOM 1333 N SER A 90 -8.552 1.736 -3.981 1.00 0.00 N ATOM 1334 CA SER A 90 -9.236 0.574 -3.427 1.00 0.00 C ATOM 1335 C SER A 90 -8.521 -0.716 -3.818 1.00 0.00 C ATOM 1336 O SER A 90 -8.335 -1.003 -5.001 1.00 0.00 O ATOM 1337 CB SER A 90 -10.687 0.532 -3.911 1.00 0.00 C ATOM 1338 OG SER A 90 -11.421 1.640 -3.419 1.00 0.00 O ATOM 0 H SER A 90 -8.292 1.643 -4.963 1.00 0.00 H new ATOM 0 HA SER A 90 -9.224 0.660 -2.340 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.710 0.531 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.157 -0.395 -3.582 1.00 0.00 H new ATOM 0 HG SER A 90 -12.344 1.591 -3.744 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.121 -1.490 -2.815 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.426 -2.750 -3.051 1.00 0.00 C ATOM 1346 C LEU A 91 -8.418 -3.884 -3.287 1.00 0.00 C ATOM 1347 O LEU A 91 -9.508 -3.899 -2.713 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.522 -3.087 -1.864 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.010 -4.526 -1.797 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.153 -4.844 -3.013 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.223 -4.754 -0.515 1.00 0.00 C ATOM 0 H LEU A 91 -8.266 -1.267 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.814 -2.636 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.662 -2.417 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.068 -2.874 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.869 -5.197 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.797 -5.872 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.747 -4.722 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.300 -4.166 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.867 -5.784 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.371 -4.074 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.866 -4.568 0.345 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.033 -4.833 -4.135 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.889 -5.973 -4.445 1.00 0.00 C ATOM 1365 C HIS A 92 -8.131 -7.285 -4.265 1.00 0.00 C ATOM 1366 O HIS A 92 -6.999 -7.429 -4.728 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.417 -5.867 -5.876 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.078 -4.557 -6.175 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.414 -4.317 -5.936 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.578 -3.412 -6.694 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.708 -3.080 -6.298 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.611 -2.510 -6.761 1.00 0.00 N ATOM 0 H HIS A 92 -7.135 -4.835 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.732 -5.963 -3.754 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.591 -6.015 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.130 -6.673 -6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.556 -3.240 -6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.680 -2.615 -6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.542 -1.555 -7.112 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.763 -8.241 -3.591 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.148 -9.541 -3.350 1.00 0.00 C ATOM 1383 C VAL A 93 -9.128 -10.673 -3.637 1.00 0.00 C ATOM 1384 O VAL A 93 -10.174 -10.779 -2.997 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.648 -9.666 -1.899 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -6.994 -11.021 -1.674 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.682 -8.537 -1.570 1.00 0.00 C ATOM 0 H VAL A 93 -9.701 -8.139 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.297 -9.619 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.505 -9.588 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.647 -11.091 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.719 -11.812 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.147 -11.133 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.338 -8.641 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.827 -8.582 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.188 -7.579 -1.689 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.782 -11.517 -4.604 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.632 -12.642 -4.976 1.00 0.00 C ATOM 1399 C GLU A 94 -8.822 -13.932 -5.060 1.00 0.00 C ATOM 1400 O GLU A 94 -7.749 -13.965 -5.662 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.318 -12.370 -6.316 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.377 -11.282 -6.248 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.051 -11.040 -7.585 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.912 -11.858 -7.971 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -11.718 -10.033 -8.244 1.00 0.00 O ATOM 0 H GLU A 94 -7.920 -11.443 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.392 -12.760 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.564 -12.086 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.778 -13.291 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.130 -11.559 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.919 -10.355 -5.903 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.343 -14.993 -4.450 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.667 -16.285 -4.455 1.00 0.00 C ATOM 1414 C GLU A 95 -8.755 -16.940 -5.830 1.00 0.00 C ATOM 1415 O GLU A 95 -9.572 -16.551 -6.665 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.277 -17.208 -3.398 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.307 -18.250 -2.867 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.920 -19.120 -1.786 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -8.999 -18.659 -0.628 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -9.319 -20.261 -2.098 1.00 0.00 O ATOM 0 H GLU A 95 -10.230 -14.983 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.616 -16.118 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.640 -16.604 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.143 -17.714 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.972 -18.881 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.424 -17.750 -2.469 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.907 -17.936 -6.059 1.00 0.00 N ATOM 1428 CA LYS A 96 -7.887 -18.647 -7.332 1.00 0.00 C ATOM 1429 C LYS A 96 -8.999 -19.690 -7.391 1.00 0.00 C ATOM 1430 O LYS A 96 -9.007 -20.646 -6.616 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.529 -19.322 -7.542 1.00 0.00 C ATOM 1432 CG LYS A 96 -5.465 -18.390 -8.094 1.00 0.00 C ATOM 1433 CD LYS A 96 -4.319 -19.162 -8.725 1.00 0.00 C ATOM 1434 CE LYS A 96 -4.701 -19.707 -10.093 1.00 0.00 C ATOM 1435 NZ LYS A 96 -3.504 -19.965 -10.941 1.00 0.00 N ATOM 0 H LYS A 96 -7.224 -18.270 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.052 -17.920 -8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.185 -19.730 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.653 -20.163 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.910 -17.727 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.082 -17.759 -7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.450 -18.511 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.030 -19.985 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.266 -20.631 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.357 -18.997 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.806 -20.335 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.978 -19.078 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.890 -20.662 -10.473 1.00 0.00 H new ATOM 1449 N ALA A 97 -9.935 -19.499 -8.314 1.00 0.00 N ATOM 1450 CA ALA A 97 -11.049 -20.424 -8.476 1.00 0.00 C ATOM 1451 C ALA A 97 -10.587 -21.736 -9.100 1.00 0.00 C ATOM 1452 O ALA A 97 -10.599 -21.892 -10.321 1.00 0.00 O ATOM 1453 CB ALA A 97 -12.143 -19.791 -9.322 1.00 0.00 C ATOM 0 H ALA A 97 -9.944 -18.711 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 97 -11.452 -20.644 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -12.969 -20.494 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.502 -18.885 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -11.744 -19.540 -10.305 1.00 0.00 H new ATOM 1459 N SER A 98 -10.180 -22.678 -8.255 1.00 0.00 N ATOM 1460 CA SER A 98 -9.709 -23.975 -8.725 1.00 0.00 C ATOM 1461 C SER A 98 -10.035 -25.070 -7.714 1.00 0.00 C ATOM 1462 O SER A 98 -9.648 -24.991 -6.549 1.00 0.00 O ATOM 1463 CB SER A 98 -8.201 -23.933 -8.979 1.00 0.00 C ATOM 1464 OG SER A 98 -7.828 -24.858 -9.986 1.00 0.00 O ATOM 0 H SER A 98 -10.167 -22.567 -7.241 1.00 0.00 H new ATOM 0 HA SER A 98 -10.221 -24.203 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.907 -22.927 -9.278 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.667 -24.160 -8.056 1.00 0.00 H new ATOM 0 HG SER A 98 -6.860 -24.811 -10.131 1.00 0.00 H new ATOM 1470 N GLY A 99 -10.752 -26.094 -8.169 1.00 0.00 N ATOM 1471 CA GLY A 99 -11.119 -27.191 -7.293 1.00 0.00 C ATOM 1472 C GLY A 99 -10.342 -28.458 -7.593 1.00 0.00 C ATOM 1473 O GLY A 99 -9.718 -28.594 -8.646 1.00 0.00 O ATOM 0 H GLY A 99 -11.085 -26.183 -9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.945 -26.899 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.186 -27.391 -7.393 1.00 0.00 H new ATOM 1477 N PRO A 100 -10.373 -29.413 -6.652 1.00 0.00 N ATOM 1478 CA PRO A 100 -9.671 -30.691 -6.798 1.00 0.00 C ATOM 1479 C PRO A 100 -10.304 -31.582 -7.861 1.00 0.00 C ATOM 1480 O PRO A 100 -11.208 -32.365 -7.571 1.00 0.00 O ATOM 1481 CB PRO A 100 -9.808 -31.331 -5.414 1.00 0.00 C ATOM 1482 CG PRO A 100 -11.037 -30.721 -4.834 1.00 0.00 C ATOM 1483 CD PRO A 100 -11.097 -29.318 -5.373 1.00 0.00 C ATOM 0 HA PRO A 100 -8.639 -30.554 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.900 -32.415 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.934 -31.126 -4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.925 -31.286 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.995 -30.719 -3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -12.125 -28.986 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.625 -28.607 -4.696 1.00 0.00 H new ATOM 1491 N SER A 101 -9.823 -31.457 -9.094 1.00 0.00 N ATOM 1492 CA SER A 101 -10.344 -32.249 -10.202 1.00 0.00 C ATOM 1493 C SER A 101 -9.946 -33.715 -10.057 1.00 0.00 C ATOM 1494 O SER A 101 -8.761 -34.047 -10.023 1.00 0.00 O ATOM 1495 CB SER A 101 -9.832 -31.699 -11.535 1.00 0.00 C ATOM 1496 OG SER A 101 -8.418 -31.767 -11.605 1.00 0.00 O ATOM 0 H SER A 101 -9.073 -30.815 -9.351 1.00 0.00 H new ATOM 0 HA SER A 101 -11.432 -32.183 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.268 -32.266 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.156 -30.665 -11.654 1.00 0.00 H new ATOM 0 HG SER A 101 -8.096 -32.486 -11.022 1.00 0.00 H new ATOM 1502 N SER A 102 -10.945 -34.587 -9.971 1.00 0.00 N ATOM 1503 CA SER A 102 -10.701 -36.017 -9.826 1.00 0.00 C ATOM 1504 C SER A 102 -11.484 -36.811 -10.867 1.00 0.00 C ATOM 1505 O SER A 102 -12.646 -36.516 -11.144 1.00 0.00 O ATOM 1506 CB SER A 102 -11.085 -36.481 -8.419 1.00 0.00 C ATOM 1507 OG SER A 102 -12.493 -36.537 -8.268 1.00 0.00 O ATOM 0 H SER A 102 -11.931 -34.328 -9.999 1.00 0.00 H new ATOM 0 HA SER A 102 -9.637 -36.197 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.656 -37.464 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.663 -35.800 -7.680 1.00 0.00 H new ATOM 0 HG SER A 102 -12.713 -36.838 -7.362 1.00 0.00 H new ATOM 1513 N GLY A 103 -10.837 -37.820 -11.442 1.00 0.00 N ATOM 1514 CA GLY A 103 -11.487 -38.642 -12.447 1.00 0.00 C ATOM 1515 C GLY A 103 -10.759 -39.950 -12.686 1.00 0.00 C ATOM 1516 O GLY A 103 -10.059 -40.448 -11.804 1.00 0.00 O ATOM 0 H GLY A 103 -9.875 -38.083 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.510 -38.851 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.547 -38.087 -13.383 1.00 0.00 H new TER 1520 GLY A 103