USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 38 GLN : amide:sc= -0.348! C(o=0.022!,f=-3.4!) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.37 K(o=0.022,f=-5.1!) USER MOD Set 2.1: A 14 THR OG1 : rot -148:sc= 0.489 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0.461 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -71:sc= 0.359 USER MOD Single : A 9 THR OG1 : rot -99:sc= 0.236 USER MOD Single : A 11 ASN : amide:sc= -0.546 K(o=-0.55,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= 0.00611 X(o=0.0061,f=-0.33) USER MOD Single : A 13 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1.4!) USER MOD Single : A 15 MET CE :methyl -156:sc= -0.209 (180deg=-1.04) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -27:sc= 0.0441 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 59:sc= 0.964 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -71:sc= 0.875 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.146 K(o=0.15,f=-2.5!) USER MOD Single : A 58 MET CE :methyl 171:sc= 0 (180deg=-0.139) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 1.04 (180deg=1.04) USER MOD Single : A 67 ASN : amide:sc= -0.0477 K(o=-0.048,f=-1.3!) USER MOD Single : A 70 ASN : amide:sc=-0.00564 X(o=-0.0056,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -10.395 3.562 4.604 1.00 50.00 N ATOM 21 CA LYS A 2 -10.026 4.952 4.841 1.00 50.00 C ATOM 22 C LYS A 2 -8.842 5.053 5.796 1.00 50.00 C ATOM 23 O LYS A 2 -8.785 4.351 6.805 1.00 50.00 O ATOM 24 CB LYS A 2 -11.215 5.737 5.394 1.00 50.00 C ATOM 25 CG LYS A 2 -12.381 5.877 4.425 1.00 50.00 C ATOM 26 CD LYS A 2 -13.502 6.714 5.024 1.00 50.00 C ATOM 27 CE LYS A 2 -14.710 6.767 4.101 1.00 75.00 C ATOM 28 NZ LYS A 2 -15.820 7.570 4.682 1.00 75.00 N ATOM 0 HA LYS A 2 -9.731 5.385 3.885 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -11.569 5.246 6.301 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -10.876 6.732 5.682 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -12.034 6.338 3.500 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -12.761 4.889 4.165 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.796 6.295 5.987 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.142 7.725 5.213 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -14.416 7.195 3.143 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -15.060 5.754 3.903 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -16.623 7.581 4.022 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -16.119 7.147 5.584 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -15.495 8.544 4.847 1.00 75.00 H new ATOM 42 N ILE A 3 -7.898 5.930 5.471 1.00 50.00 N ATOM 43 CA ILE A 3 -6.655 6.032 6.224 1.00 50.00 C ATOM 44 C ILE A 3 -6.866 6.773 7.538 1.00 50.00 C ATOM 45 O ILE A 3 -7.447 7.856 7.564 1.00 50.00 O ATOM 46 CB ILE A 3 -5.560 6.748 5.412 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.189 5.927 4.174 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.334 6.997 6.277 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.258 6.641 3.222 1.00 50.00 C ATOM 0 H ILE A 3 -7.971 6.581 4.689 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.331 5.013 6.434 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.948 7.711 5.081 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.721 4.996 4.494 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.101 5.658 3.641 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.570 7.504 5.688 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.609 7.621 7.127 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -3.943 6.045 6.637 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.042 5.995 2.371 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.730 7.558 2.871 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.329 6.886 3.737 1.00 50.00 H new ATOM 61 N ILE A 4 -6.388 6.180 8.628 1.00 10.00 N ATOM 62 CA ILE A 4 -6.360 6.860 9.918 1.00 10.00 C ATOM 63 C ILE A 4 -4.956 7.349 10.252 1.00 10.00 C ATOM 64 O ILE A 4 -4.776 8.465 10.739 1.00 50.00 O ATOM 65 CB ILE A 4 -6.859 5.943 11.050 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.298 5.498 10.783 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.757 6.651 12.391 1.00 50.00 C ATOM 68 CD1 ILE A 4 -9.279 6.643 10.665 1.00 50.00 C ATOM 0 H ILE A 4 -6.015 5.231 8.643 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.029 7.717 9.837 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.226 5.056 11.081 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.323 4.914 9.863 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.620 4.838 11.588 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -7.114 5.989 13.180 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.718 6.918 12.583 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.366 7.555 12.373 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -10.277 6.249 10.476 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -9.284 7.215 11.593 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.983 7.292 9.841 1.00 50.00 H new ATOM 80 N SER A 5 -3.964 6.504 9.988 1.00 10.00 N ATOM 81 CA SER A 5 -2.570 6.863 10.227 1.00 10.00 C ATOM 82 C SER A 5 -1.627 5.958 9.444 1.00 10.00 C ATOM 83 O SER A 5 -1.826 4.745 9.379 1.00 50.00 O ATOM 84 CB SER A 5 -2.260 6.794 11.709 1.00 50.00 C ATOM 85 OG SER A 5 -0.913 7.074 11.978 1.00 50.00 O ATOM 0 H SER A 5 -4.099 5.567 9.609 1.00 10.00 H new ATOM 0 HA SER A 5 -2.418 7.885 9.881 1.00 10.00 H new ATOM 0 HB2 SER A 5 -2.891 7.503 12.245 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.506 5.801 12.085 1.00 50.00 H new ATOM 0 HG SER A 5 -0.754 7.021 12.944 1.00 50.00 H new ATOM 91 N ILE A 6 -0.600 6.556 8.849 1.00 10.00 N ATOM 92 CA ILE A 6 0.447 5.792 8.181 1.00 10.00 C ATOM 93 C ILE A 6 1.728 5.775 9.006 1.00 10.00 C ATOM 94 O ILE A 6 2.376 6.806 9.185 1.00 50.00 O ATOM 95 CB ILE A 6 0.757 6.361 6.784 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.493 6.310 5.900 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.901 5.596 6.139 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.319 6.989 4.559 1.00 50.00 C ATOM 0 H ILE A 6 -0.471 7.567 8.816 1.00 10.00 H new ATOM 0 HA ILE A 6 0.073 4.774 8.074 1.00 10.00 H new ATOM 0 HB ILE A 6 1.061 7.402 6.892 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.769 5.268 5.737 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.321 6.780 6.430 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.106 6.012 5.153 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.792 5.681 6.761 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.626 4.546 6.040 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.245 6.912 3.989 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.074 8.040 4.712 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.487 6.505 4.008 1.00 50.00 H new ATOM 110 N SER A 7 2.087 4.598 9.508 1.00 10.00 N ATOM 111 CA SER A 7 3.229 4.463 10.402 1.00 10.00 C ATOM 112 C SER A 7 4.455 3.953 9.654 1.00 10.00 C ATOM 113 O SER A 7 4.334 3.270 8.638 1.00 50.00 O ATOM 114 CB SER A 7 2.887 3.534 11.551 1.00 50.00 C ATOM 115 OG SER A 7 3.998 3.271 12.363 1.00 50.00 O ATOM 0 H SER A 7 1.602 3.723 9.310 1.00 10.00 H new ATOM 0 HA SER A 7 3.466 5.449 10.802 1.00 10.00 H new ATOM 0 HB2 SER A 7 2.095 3.979 12.153 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.497 2.596 11.155 1.00 50.00 H new ATOM 0 HG SER A 7 4.629 2.698 11.879 1.00 50.00 H new ATOM 121 N GLU A 8 5.635 4.291 10.164 1.00 10.00 N ATOM 122 CA GLU A 8 6.874 3.683 9.694 1.00 50.00 C ATOM 123 C GLU A 8 7.067 2.295 10.292 1.00 10.00 C ATOM 124 O GLU A 8 6.387 1.920 11.248 1.00 50.00 O ATOM 125 CB GLU A 8 8.071 4.574 10.035 1.00 50.00 C ATOM 126 CG GLU A 8 8.055 5.936 9.356 1.00 50.00 C ATOM 127 CD GLU A 8 9.273 6.740 9.714 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.043 6.288 10.527 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.494 7.755 9.095 1.00 50.00 O ATOM 0 H GLU A 8 5.759 4.983 10.903 1.00 10.00 H new ATOM 0 HA GLU A 8 6.806 3.581 8.611 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.104 4.720 11.115 1.00 50.00 H new ATOM 0 HB3 GLU A 8 8.987 4.053 9.756 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.008 5.805 8.275 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.158 6.481 9.650 1.00 50.00 H new ATOM 136 N THR A 9 8.000 1.536 9.727 1.00 50.00 N ATOM 137 CA THR A 9 8.253 0.172 10.173 1.00 10.00 C ATOM 138 C THR A 9 9.747 -0.093 10.313 1.00 10.00 C ATOM 139 O THR A 9 10.572 0.668 9.811 1.00 50.00 O ATOM 140 CB THR A 9 7.648 -0.860 9.204 1.00 50.00 C ATOM 141 OG1 THR A 9 8.389 -0.859 7.977 1.00 50.00 O ATOM 142 CG2 THR A 9 6.193 -0.530 8.912 1.00 50.00 C ATOM 0 H THR A 9 8.594 1.844 8.957 1.00 50.00 H new ATOM 0 HA THR A 9 7.775 0.066 11.147 1.00 10.00 H new ATOM 0 HB THR A 9 7.700 -1.845 9.668 1.00 50.00 H new ATOM 0 HG1 THR A 9 7.911 -0.327 7.307 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.783 -1.270 8.225 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.624 -0.542 9.841 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.128 0.460 8.460 1.00 50.00 H new ATOM 150 N PRO A 10 10.088 -1.176 11.001 1.00 50.00 N ATOM 151 CA PRO A 10 11.482 -1.558 11.190 1.00 50.00 C ATOM 152 C PRO A 10 12.215 -1.639 9.858 1.00 50.00 C ATOM 153 O PRO A 10 13.407 -1.342 9.774 1.00 50.00 O ATOM 154 CB PRO A 10 11.406 -2.918 11.892 1.00 50.00 C ATOM 155 CG PRO A 10 10.104 -2.891 12.616 1.00 50.00 C ATOM 156 CD PRO A 10 9.168 -2.117 11.725 1.00 50.00 C ATOM 0 HA PRO A 10 12.044 -0.831 11.776 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.444 -3.738 11.175 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.240 -3.057 12.580 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.732 -3.900 12.794 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.206 -2.412 13.590 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.635 -2.771 11.035 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.414 -1.580 12.301 1.00 50.00 H new ATOM 164 N ASN A 11 11.496 -2.046 8.817 1.00 50.00 N ATOM 165 CA ASN A 11 12.023 -2.002 7.458 1.00 50.00 C ATOM 166 C ASN A 11 11.496 -0.789 6.702 1.00 50.00 C ATOM 167 O ASN A 11 10.323 -0.739 6.329 1.00 50.00 O ATOM 168 CB ASN A 11 11.704 -3.275 6.696 1.00 50.00 C ATOM 169 CG ASN A 11 12.319 -3.331 5.326 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.767 -2.315 4.782 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.272 -4.498 4.733 1.00 50.00 N ATOM 0 H ASN A 11 10.546 -2.410 8.889 1.00 50.00 H new ATOM 0 HA ASN A 11 13.107 -1.916 7.537 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.051 -4.131 7.275 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.622 -3.370 6.603 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.615 -4.599 3.778 1.00 50.00 H new ATOM 0 HD22 ASN A 11 11.892 -5.306 5.227 1.00 50.00 H new ATOM 178 N HIS A 12 12.368 0.187 6.477 1.00 50.00 N ATOM 179 CA HIS A 12 11.949 1.483 5.956 1.00 50.00 C ATOM 180 C HIS A 12 11.501 1.375 4.504 1.00 50.00 C ATOM 181 O HIS A 12 10.940 2.319 3.946 1.00 50.00 O ATOM 182 CB HIS A 12 13.081 2.507 6.079 1.00 50.00 C ATOM 183 CG HIS A 12 14.236 2.241 5.165 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.216 1.316 5.454 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.568 2.779 3.968 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.101 1.295 4.473 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.730 2.175 3.560 1.00 75.00 N ATOM 0 H HIS A 12 13.370 0.105 6.647 1.00 50.00 H new ATOM 0 HA HIS A 12 11.101 1.820 6.553 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.685 3.500 5.869 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.439 2.518 7.109 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.020 3.541 3.434 1.00 50.00 H new ATOM 0 HE1 HIS A 12 16.978 0.666 4.426 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.227 2.373 2.692 1.00 75.00 H new ATOM 195 N ASN A 13 11.751 0.220 3.897 1.00 10.00 N ATOM 196 CA ASN A 13 11.395 -0.005 2.501 1.00 10.00 C ATOM 197 C ASN A 13 9.901 -0.260 2.348 1.00 10.00 C ATOM 198 O ASN A 13 9.378 -0.292 1.234 1.00 50.00 O ATOM 199 CB ASN A 13 12.188 -1.152 1.904 1.00 50.00 C ATOM 200 CG ASN A 13 13.629 -0.816 1.637 1.00 50.00 C ATOM 201 OD1 ASN A 13 14.030 0.352 1.656 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.392 -1.827 1.309 1.00 50.00 N ATOM 0 H ASN A 13 12.199 -0.576 4.351 1.00 10.00 H new ATOM 0 HA ASN A 13 11.647 0.903 1.954 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.142 -2.005 2.581 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.717 -1.461 0.971 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.367 -1.669 1.053 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.012 -2.774 1.309 1.00 50.00 H new ATOM 209 N THR A 14 9.218 -0.443 3.473 1.00 10.00 N ATOM 210 CA THR A 14 7.773 -0.636 3.471 1.00 10.00 C ATOM 211 C THR A 14 7.102 0.215 4.540 1.00 10.00 C ATOM 212 O THR A 14 7.666 0.444 5.610 1.00 50.00 O ATOM 213 CB THR A 14 7.400 -2.113 3.695 1.00 50.00 C ATOM 214 OG1 THR A 14 5.975 -2.260 3.644 1.00 50.00 O ATOM 215 CG2 THR A 14 7.907 -2.591 5.047 1.00 50.00 C ATOM 0 H THR A 14 9.643 -0.462 4.400 1.00 10.00 H new ATOM 0 HA THR A 14 7.416 -0.326 2.489 1.00 10.00 H new ATOM 0 HB THR A 14 7.863 -2.713 2.912 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.699 -2.983 4.245 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.635 -3.637 5.189 1.00 50.00 H new ATOM 0 HG22 THR A 14 8.992 -2.490 5.085 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.459 -1.989 5.837 1.00 50.00 H new ATOM 223 N MET A 15 5.894 0.683 4.245 1.00 10.00 N ATOM 224 CA MET A 15 5.142 1.508 5.181 1.00 10.00 C ATOM 225 C MET A 15 3.894 0.787 5.673 1.00 10.00 C ATOM 226 O MET A 15 3.349 -0.073 4.981 1.00 50.00 O ATOM 227 CB MET A 15 4.762 2.837 4.529 1.00 50.00 C ATOM 228 CG MET A 15 5.947 3.709 4.140 1.00 50.00 C ATOM 229 SD MET A 15 6.842 4.344 5.571 1.00 50.00 S ATOM 230 CE MET A 15 5.626 5.464 6.260 1.00 50.00 C ATOM 0 H MET A 15 5.415 0.504 3.363 1.00 10.00 H new ATOM 0 HA MET A 15 5.780 1.705 6.043 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.168 2.634 3.638 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.126 3.395 5.215 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.629 3.131 3.517 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.595 4.545 3.536 1.00 50.00 H new ATOM 0 HE1 MET A 15 6.129 6.226 6.855 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.072 5.942 5.452 1.00 50.00 H new ATOM 0 HE3 MET A 15 4.935 4.907 6.893 1.00 50.00 H new ATOM 240 N LYS A 16 3.445 1.141 6.871 1.00 10.00 N ATOM 241 CA LYS A 16 2.248 0.543 7.450 1.00 10.00 C ATOM 242 C LYS A 16 1.067 1.503 7.388 1.00 10.00 C ATOM 243 O LYS A 16 1.114 2.597 7.950 1.00 50.00 O ATOM 244 CB LYS A 16 2.504 0.117 8.896 1.00 50.00 C ATOM 245 CG LYS A 16 1.302 -0.502 9.593 1.00 50.00 C ATOM 246 CD LYS A 16 1.590 -0.766 11.064 1.00 50.00 C ATOM 247 CE LYS A 16 0.375 -1.347 11.771 1.00 50.00 C ATOM 248 NZ LYS A 16 0.635 -1.592 13.215 1.00 50.00 N ATOM 0 H LYS A 16 3.893 1.841 7.462 1.00 10.00 H new ATOM 0 HA LYS A 16 2.001 -0.340 6.861 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.325 -0.599 8.910 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.830 0.987 9.466 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.444 0.164 9.502 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.034 -1.436 9.099 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.430 -1.455 11.154 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.887 0.163 11.551 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.467 -0.663 11.665 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.089 -2.282 11.290 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.218 -1.988 13.659 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.422 -2.264 13.317 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.883 -0.695 13.680 1.00 50.00 H new ATOM 262 N ILE A 17 0.007 1.087 6.702 1.00 10.00 N ATOM 263 CA ILE A 17 -1.172 1.927 6.532 1.00 10.00 C ATOM 264 C ILE A 17 -2.336 1.420 7.376 1.00 10.00 C ATOM 265 O ILE A 17 -2.886 0.351 7.113 1.00 50.00 O ATOM 266 CB ILE A 17 -1.610 1.993 5.058 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.473 2.533 4.187 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.853 2.857 4.910 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.740 2.431 2.702 1.00 50.00 C ATOM 0 H ILE A 17 -0.059 0.173 6.255 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.896 2.928 6.864 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.851 0.984 4.723 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.296 3.577 4.444 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.441 1.988 4.421 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.149 2.893 3.861 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.664 2.432 5.501 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.638 3.866 5.261 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.110 2.833 2.151 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.887 1.386 2.430 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.636 3.000 2.453 1.00 50.00 H new ATOM 281 N THR A 18 -2.705 2.195 8.390 1.00 10.00 N ATOM 282 CA THR A 18 -3.824 1.843 9.254 1.00 10.00 C ATOM 283 C THR A 18 -5.148 2.308 8.659 1.00 10.00 C ATOM 284 O THR A 18 -5.322 3.490 8.360 1.00 50.00 O ATOM 285 CB THR A 18 -3.666 2.448 10.661 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.470 1.942 11.270 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.861 2.095 11.532 1.00 50.00 C ATOM 0 H THR A 18 -2.244 3.072 8.633 1.00 10.00 H new ATOM 0 HA THR A 18 -3.826 0.756 9.334 1.00 10.00 H new ATOM 0 HB THR A 18 -3.605 3.532 10.568 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.370 2.329 12.165 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.731 2.531 12.522 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.771 2.489 11.079 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.939 1.011 11.620 1.00 50.00 H new ATOM 295 N LEU A 19 -6.077 1.375 8.490 1.00 10.00 N ATOM 296 CA LEU A 19 -7.371 1.680 7.894 1.00 50.00 C ATOM 297 C LEU A 19 -8.493 1.546 8.914 1.00 10.00 C ATOM 298 O LEU A 19 -8.414 0.733 9.836 1.00 50.00 O ATOM 299 CB LEU A 19 -7.630 0.764 6.691 1.00 50.00 C ATOM 300 CG LEU A 19 -6.594 0.858 5.563 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.903 -0.170 4.484 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.596 2.265 4.985 1.00 50.00 C ATOM 0 H LEU A 19 -5.957 0.398 8.758 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.350 2.715 7.553 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.669 -0.267 7.042 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.612 0.999 6.281 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.602 0.646 5.962 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.162 -0.096 3.688 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.873 -1.171 4.915 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.896 0.019 4.075 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.860 2.330 4.184 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.585 2.494 4.588 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.345 2.980 5.768 1.00 50.00 H new ATOM 314 N SER A 20 -9.540 2.348 8.745 1.00 10.00 N ATOM 315 CA SER A 20 -10.694 2.296 9.633 1.00 10.00 C ATOM 316 C SER A 20 -11.602 1.123 9.290 1.00 50.00 C ATOM 317 O SER A 20 -11.884 0.275 10.139 1.00 50.00 O ATOM 318 CB SER A 20 -11.466 3.600 9.559 1.00 50.00 C ATOM 319 OG SER A 20 -12.602 3.587 10.380 1.00 50.00 O ATOM 0 H SER A 20 -9.612 3.042 8.001 1.00 10.00 H new ATOM 0 HA SER A 20 -10.333 2.152 10.651 1.00 10.00 H new ATOM 0 HB2 SER A 20 -10.815 4.423 9.854 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.767 3.785 8.528 1.00 50.00 H new ATOM 0 HG SER A 20 -13.070 4.445 10.305 1.00 50.00 H new ATOM 414 N THR A 27 -8.888 -11.004 6.179 1.00 50.00 N ATOM 415 CA THR A 27 -7.900 -12.076 6.222 1.00 50.00 C ATOM 416 C THR A 27 -6.653 -11.707 5.430 1.00 50.00 C ATOM 417 O THR A 27 -6.683 -10.811 4.586 1.00 50.00 O ATOM 418 CB THR A 27 -8.473 -13.395 5.674 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.867 -13.216 4.306 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.678 -13.835 6.492 1.00 75.00 C ATOM 0 HA THR A 27 -7.633 -12.215 7.270 1.00 50.00 H new ATOM 0 HB THR A 27 -7.703 -14.163 5.740 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.089 -12.274 4.150 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.069 -14.769 6.090 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.379 -13.984 7.529 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.450 -13.067 6.444 1.00 75.00 H new ATOM 428 N SER A 28 -5.554 -12.404 5.705 1.00 10.00 N ATOM 429 CA SER A 28 -4.275 -12.100 5.076 1.00 10.00 C ATOM 430 C SER A 28 -4.327 -12.351 3.573 1.00 10.00 C ATOM 431 O SER A 28 -4.976 -13.291 3.114 1.00 50.00 O ATOM 432 CB SER A 28 -3.173 -12.923 5.711 1.00 50.00 C ATOM 433 OG SER A 28 -3.345 -14.295 5.492 1.00 50.00 O ATOM 0 H SER A 28 -5.525 -13.185 6.361 1.00 10.00 H new ATOM 0 HA SER A 28 -4.062 -11.042 5.232 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.210 -12.610 5.308 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.148 -12.728 6.783 1.00 50.00 H new ATOM 0 HG SER A 28 -2.612 -14.788 5.916 1.00 50.00 H new ATOM 439 N ASP A 29 -3.641 -11.505 2.814 1.00 10.00 N ATOM 440 CA ASP A 29 -3.604 -11.637 1.362 1.00 10.00 C ATOM 441 C ASP A 29 -2.380 -10.945 0.776 1.00 10.00 C ATOM 442 O ASP A 29 -1.866 -9.983 1.348 1.00 50.00 O ATOM 443 CB ASP A 29 -4.879 -11.062 0.740 1.00 50.00 C ATOM 444 CG ASP A 29 -5.193 -11.590 -0.653 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.436 -12.392 -1.146 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.260 -11.314 -1.145 1.00 50.00 O ATOM 0 H ASP A 29 -3.102 -10.720 3.180 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.541 -12.699 1.126 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.720 -11.282 1.397 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.788 -9.977 0.692 1.00 50.00 H new ATOM 451 N THR A 30 -1.917 -11.440 -0.365 1.00 10.00 N ATOM 452 CA THR A 30 -0.706 -10.922 -0.991 1.00 10.00 C ATOM 453 C THR A 30 -1.007 -10.314 -2.354 1.00 10.00 C ATOM 454 O THR A 30 -1.642 -10.946 -3.199 1.00 50.00 O ATOM 455 CB THR A 30 0.361 -12.020 -1.153 1.00 50.00 C ATOM 456 OG1 THR A 30 0.711 -12.545 0.133 1.00 50.00 O ATOM 457 CG2 THR A 30 1.607 -11.458 -1.821 1.00 50.00 C ATOM 0 H THR A 30 -2.363 -12.201 -0.877 1.00 10.00 H new ATOM 0 HA THR A 30 -0.318 -10.147 -0.330 1.00 10.00 H new ATOM 0 HB THR A 30 -0.049 -12.813 -1.778 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.389 -13.245 0.027 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.351 -12.248 -1.927 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.348 -11.069 -2.806 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.017 -10.654 -1.209 1.00 50.00 H new ATOM 465 N TYR A 31 -0.548 -9.086 -2.564 1.00 10.00 N ATOM 466 CA TYR A 31 -0.838 -8.358 -3.793 1.00 10.00 C ATOM 467 C TYR A 31 0.443 -7.890 -4.471 1.00 10.00 C ATOM 468 O TYR A 31 1.083 -6.939 -4.022 1.00 50.00 O ATOM 469 CB TYR A 31 -1.746 -7.161 -3.505 1.00 50.00 C ATOM 470 CG TYR A 31 -3.060 -7.532 -2.853 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.968 -8.354 -3.502 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.390 -7.056 -1.592 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.170 -8.698 -2.912 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.588 -7.392 -0.992 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.476 -8.213 -1.656 1.00 50.00 C ATOM 476 OH TYR A 31 -6.672 -8.551 -1.065 1.00 50.00 O ATOM 0 H TYR A 31 0.028 -8.572 -1.897 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.353 -9.039 -4.470 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.215 -6.462 -2.859 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.950 -6.639 -4.440 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.732 -8.732 -4.486 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.698 -6.411 -1.070 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.865 -9.342 -3.430 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.828 -7.014 -0.009 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.730 -9.525 -0.978 1.00 50.00 H new ATOM 486 N THR A 32 0.813 -8.563 -5.556 1.00 10.00 N ATOM 487 CA THR A 32 2.046 -8.250 -6.268 1.00 10.00 C ATOM 488 C THR A 32 1.759 -7.803 -7.696 1.00 10.00 C ATOM 489 O THR A 32 2.488 -6.990 -8.261 1.00 50.00 O ATOM 490 CB THR A 32 3.000 -9.458 -6.302 1.00 50.00 C ATOM 491 OG1 THR A 32 2.367 -10.554 -6.976 1.00 50.00 O ATOM 492 CG2 THR A 32 3.371 -9.884 -4.890 1.00 50.00 C ATOM 0 H THR A 32 0.276 -9.329 -5.961 1.00 10.00 H new ATOM 0 HA THR A 32 2.524 -7.435 -5.724 1.00 10.00 H new ATOM 0 HB THR A 32 3.906 -9.170 -6.835 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.977 -11.321 -6.998 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.046 -10.739 -4.933 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.865 -9.058 -4.379 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.469 -10.161 -4.345 1.00 50.00 H new ATOM 500 N LYS A 33 0.690 -8.342 -8.276 1.00 10.00 N ATOM 501 CA LYS A 33 0.318 -8.017 -9.647 1.00 50.00 C ATOM 502 C LYS A 33 -1.137 -7.575 -9.733 1.00 50.00 C ATOM 503 O LYS A 33 -2.003 -8.120 -9.048 1.00 50.00 O ATOM 504 CB LYS A 33 0.558 -9.216 -10.565 1.00 50.00 C ATOM 505 CG LYS A 33 2.023 -9.604 -10.724 1.00 50.00 C ATOM 506 CD LYS A 33 2.188 -10.762 -11.696 1.00 50.00 C ATOM 507 CE LYS A 33 3.644 -11.183 -11.817 1.00 75.00 C ATOM 508 NZ LYS A 33 3.819 -12.319 -12.762 1.00 75.00 N ATOM 0 H LYS A 33 0.067 -9.006 -7.816 1.00 10.00 H new ATOM 0 HA LYS A 33 0.946 -7.188 -9.975 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.008 -10.073 -10.175 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.145 -8.993 -11.549 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.592 -8.745 -11.079 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.435 -9.880 -9.753 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.590 -11.609 -11.360 1.00 50.00 H new ATOM 0 HD3 LYS A 33 1.809 -10.473 -12.676 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.240 -10.335 -12.155 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.022 -11.467 -10.835 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 4.826 -12.574 -12.815 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.271 -13.137 -12.427 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.482 -12.041 -13.706 1.00 75.00 H new ATOM 522 N VAL A 34 -1.401 -6.585 -10.580 1.00 50.00 N ATOM 523 CA VAL A 34 -2.744 -6.039 -10.725 1.00 50.00 C ATOM 524 C VAL A 34 -3.732 -7.115 -11.160 1.00 50.00 C ATOM 525 O VAL A 34 -3.456 -7.893 -12.075 1.00 50.00 O ATOM 526 CB VAL A 34 -2.778 -4.885 -11.745 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.212 -4.461 -12.022 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.963 -3.704 -11.240 1.00 50.00 C ATOM 0 H VAL A 34 -0.701 -6.145 -11.177 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.034 -5.656 -9.746 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.336 -5.236 -12.677 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.217 -3.645 -12.745 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.770 -5.306 -12.425 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.678 -4.128 -11.095 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.998 -2.898 -11.973 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.378 -3.353 -10.295 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.929 -4.013 -11.090 1.00 50.00 H new ATOM 538 N ASP A 35 -4.883 -7.156 -10.498 1.00 50.00 N ATOM 539 CA ASP A 35 -5.871 -8.201 -10.743 1.00 50.00 C ATOM 540 C ASP A 35 -7.255 -7.772 -10.270 1.00 50.00 C ATOM 541 O ASP A 35 -7.386 -7.036 -9.293 1.00 50.00 O ATOM 542 CB ASP A 35 -5.458 -9.502 -10.051 1.00 50.00 C ATOM 543 CG ASP A 35 -6.226 -10.732 -10.515 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.390 -10.833 -10.207 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.693 -11.479 -11.301 1.00 50.00 O ATOM 0 H ASP A 35 -5.155 -6.477 -9.787 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.916 -8.372 -11.819 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.394 -9.668 -10.220 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.595 -9.387 -8.976 1.00 50.00 H new ATOM 550 N ASP A 36 -8.283 -8.240 -10.969 1.00 50.00 N ATOM 551 CA ASP A 36 -9.652 -7.828 -10.684 1.00 50.00 C ATOM 552 C ASP A 36 -10.093 -8.298 -9.302 1.00 50.00 C ATOM 553 O ASP A 36 -10.915 -7.655 -8.650 1.00 50.00 O ATOM 554 CB ASP A 36 -10.608 -8.366 -11.751 1.00 50.00 C ATOM 555 CG ASP A 36 -10.516 -7.654 -13.095 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.903 -6.615 -13.153 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.919 -8.229 -14.077 1.00 50.00 O ATOM 0 H ASP A 36 -8.194 -8.905 -11.737 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.681 -6.739 -10.700 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.406 -9.427 -11.901 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.630 -8.285 -11.380 1.00 50.00 H new ATOM 562 N SER A 37 -9.539 -9.423 -8.864 1.00 50.00 N ATOM 563 CA SER A 37 -9.896 -9.999 -7.571 1.00 50.00 C ATOM 564 C SER A 37 -9.370 -9.145 -6.424 1.00 50.00 C ATOM 565 O SER A 37 -9.775 -9.317 -5.275 1.00 50.00 O ATOM 566 CB SER A 37 -9.364 -11.414 -7.465 1.00 50.00 C ATOM 567 OG SER A 37 -7.963 -11.452 -7.484 1.00 50.00 O ATOM 0 H SER A 37 -8.841 -9.955 -9.384 1.00 50.00 H new ATOM 0 HA SER A 37 -10.983 -10.024 -7.498 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.726 -11.869 -6.543 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.754 -12.010 -8.290 1.00 50.00 H new ATOM 0 HG SER A 37 -7.642 -11.236 -8.384 1.00 50.00 H new ATOM 573 N GLN A 38 -8.464 -8.226 -6.743 1.00 50.00 N ATOM 574 CA GLN A 38 -7.871 -7.354 -5.738 1.00 50.00 C ATOM 575 C GLN A 38 -8.682 -6.077 -5.568 1.00 50.00 C ATOM 576 O GLN A 38 -9.400 -5.661 -6.476 1.00 50.00 O ATOM 577 CB GLN A 38 -6.428 -7.004 -6.117 1.00 50.00 C ATOM 578 CG GLN A 38 -5.549 -8.209 -6.399 1.00 50.00 C ATOM 579 CD GLN A 38 -4.160 -7.816 -6.866 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.885 -6.639 -7.118 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.277 -8.801 -6.989 1.00 50.00 N ATOM 0 H GLN A 38 -8.125 -8.067 -7.692 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.873 -7.892 -4.790 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.441 -6.364 -6.999 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -5.982 -6.424 -5.309 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.468 -8.815 -5.497 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.022 -8.831 -7.159 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.548 -9.759 -6.770 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.328 -8.599 -7.303 1.00 50.00 H new ATOM 590 N PRO A 39 -8.562 -5.458 -4.399 1.00 50.00 N ATOM 591 CA PRO A 39 -9.155 -4.146 -4.162 1.00 50.00 C ATOM 592 C PRO A 39 -8.770 -3.163 -5.260 1.00 50.00 C ATOM 593 O PRO A 39 -7.604 -3.074 -5.647 1.00 50.00 O ATOM 594 CB PRO A 39 -8.605 -3.728 -2.795 1.00 50.00 C ATOM 595 CG PRO A 39 -8.270 -5.014 -2.120 1.00 50.00 C ATOM 596 CD PRO A 39 -7.790 -5.928 -3.216 1.00 50.00 C ATOM 0 HA PRO A 39 -10.245 -4.166 -4.172 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.725 -3.093 -2.898 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.342 -3.161 -2.227 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.500 -4.871 -1.362 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.141 -5.431 -1.614 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.715 -5.841 -3.374 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -7.995 -6.974 -2.989 1.00 50.00 H new ATOM 604 N ALA A 40 -9.756 -2.424 -5.759 1.00 50.00 N ATOM 605 CA ALA A 40 -9.503 -1.358 -6.720 1.00 50.00 C ATOM 606 C ALA A 40 -8.353 -0.468 -6.267 1.00 50.00 C ATOM 607 O ALA A 40 -7.464 -0.138 -7.051 1.00 50.00 O ATOM 608 CB ALA A 40 -10.763 -0.531 -6.936 1.00 50.00 C ATOM 0 H ALA A 40 -10.738 -2.545 -5.513 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.217 -1.818 -7.666 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.559 0.261 -7.656 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.558 -1.172 -7.317 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.075 -0.090 -5.990 1.00 50.00 H new ATOM 614 N PHE A 41 -8.376 -0.083 -4.994 1.00 50.00 N ATOM 615 CA PHE A 41 -7.301 0.713 -4.417 1.00 50.00 C ATOM 616 C PHE A 41 -5.950 0.033 -4.601 1.00 50.00 C ATOM 617 O PHE A 41 -4.981 0.661 -5.027 1.00 50.00 O ATOM 618 CB PHE A 41 -7.563 0.968 -2.931 1.00 50.00 C ATOM 619 CG PHE A 41 -8.707 1.906 -2.669 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.327 2.574 -3.715 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.164 2.124 -1.378 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.379 3.436 -3.475 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.215 2.986 -1.136 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.825 3.643 -2.186 1.00 75.00 C ATOM 0 H PHE A 41 -9.128 -0.310 -4.344 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.275 1.668 -4.942 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.765 0.017 -2.439 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.660 1.376 -2.477 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.984 2.418 -4.727 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.692 1.613 -0.552 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.854 3.949 -4.298 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.560 3.146 -0.125 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.648 4.317 -1.999 1.00 75.00 H new ATOM 634 N ILE A 42 -5.892 -1.253 -4.275 1.00 50.00 N ATOM 635 CA ILE A 42 -4.661 -2.023 -4.408 1.00 50.00 C ATOM 636 C ILE A 42 -4.152 -2.006 -5.843 1.00 10.00 C ATOM 637 O ILE A 42 -2.950 -1.908 -6.086 1.00 50.00 O ATOM 638 CB ILE A 42 -4.854 -3.481 -3.958 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.055 -3.551 -2.441 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.667 -4.332 -4.380 1.00 50.00 C ATOM 641 CD1 ILE A 42 -3.848 -3.108 -1.646 1.00 50.00 C ATOM 0 H ILE A 42 -6.685 -1.785 -3.916 1.00 50.00 H new ATOM 0 HA ILE A 42 -3.924 -1.549 -3.760 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.747 -3.876 -4.442 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -5.907 -2.929 -2.167 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.306 -4.575 -2.164 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.822 -5.360 -4.053 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.569 -4.307 -5.465 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.758 -3.939 -3.925 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.066 -3.185 -0.581 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -2.998 -3.745 -1.890 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -3.609 -2.074 -1.894 1.00 50.00 H new ATOM 653 N ASN A 43 -5.076 -2.103 -6.794 1.00 10.00 N ATOM 654 CA ASN A 43 -4.722 -2.122 -8.207 1.00 10.00 C ATOM 655 C ASN A 43 -4.085 -0.807 -8.633 1.00 10.00 C ATOM 656 O ASN A 43 -3.039 -0.792 -9.281 1.00 50.00 O ATOM 657 CB ASN A 43 -5.926 -2.429 -9.078 1.00 50.00 C ATOM 658 CG ASN A 43 -6.350 -3.872 -9.038 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.542 -4.770 -8.774 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.591 -4.105 -9.380 1.00 50.00 N ATOM 0 H ASN A 43 -6.077 -2.170 -6.610 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.992 -2.919 -8.344 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.761 -1.805 -8.760 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.697 -2.155 -10.108 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.932 -5.064 -9.439 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.217 -3.327 -9.588 1.00 50.00 H new ATOM 667 N ASP A 44 -4.725 0.299 -8.267 1.00 10.00 N ATOM 668 CA ASP A 44 -4.179 1.624 -8.536 1.00 10.00 C ATOM 669 C ASP A 44 -2.791 1.781 -7.928 1.00 10.00 C ATOM 670 O ASP A 44 -1.865 2.256 -8.585 1.00 50.00 O ATOM 671 CB ASP A 44 -5.115 2.709 -7.996 1.00 50.00 C ATOM 672 CG ASP A 44 -6.396 2.888 -8.798 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.476 2.360 -9.882 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.341 3.416 -8.260 1.00 50.00 O ATOM 0 H ASP A 44 -5.623 0.304 -7.783 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.093 1.736 -9.617 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.376 2.467 -6.966 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.578 3.657 -7.974 1.00 50.00 H new ATOM 679 N ILE A 45 -2.653 1.379 -6.668 1.00 10.00 N ATOM 680 CA ILE A 45 -1.392 1.530 -5.950 1.00 10.00 C ATOM 681 C ILE A 45 -0.282 0.722 -6.611 1.00 10.00 C ATOM 682 O ILE A 45 0.844 1.198 -6.752 1.00 50.00 O ATOM 683 CB ILE A 45 -1.527 1.095 -4.479 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.446 2.055 -3.721 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.158 1.029 -3.818 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.891 1.536 -2.372 1.00 50.00 C ATOM 0 H ILE A 45 -3.399 0.946 -6.123 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.134 2.588 -5.984 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.971 0.100 -4.450 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.929 3.005 -3.582 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.327 2.258 -4.331 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.270 0.720 -2.779 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.466 0.308 -4.345 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.312 2.012 -3.856 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.539 2.271 -1.895 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.437 0.602 -2.504 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.018 1.360 -1.744 1.00 50.00 H new ATOM 698 N LEU A 46 -0.607 -0.500 -7.013 1.00 10.00 N ATOM 699 CA LEU A 46 0.331 -1.337 -7.753 1.00 10.00 C ATOM 700 C LEU A 46 0.795 -0.647 -9.030 1.00 10.00 C ATOM 701 O LEU A 46 1.958 -0.760 -9.420 1.00 50.00 O ATOM 702 CB LEU A 46 -0.312 -2.690 -8.082 1.00 50.00 C ATOM 703 CG LEU A 46 -0.467 -3.646 -6.892 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.297 -4.856 -7.299 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.908 -4.074 -6.402 1.00 50.00 C ATOM 0 H LEU A 46 -1.513 -0.935 -6.839 1.00 10.00 H new ATOM 0 HA LEU A 46 1.205 -1.504 -7.124 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.296 -2.511 -8.514 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.287 -3.183 -8.848 1.00 50.00 H new ATOM 0 HG LEU A 46 -0.985 -3.136 -6.080 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.401 -5.529 -6.448 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.284 -4.527 -7.625 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.801 -5.379 -8.116 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.798 -4.753 -5.557 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.440 -4.580 -7.207 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.473 -3.195 -6.090 1.00 50.00 H new ATOM 717 N LYS A 47 -0.119 0.066 -9.677 1.00 10.00 N ATOM 718 CA LYS A 47 0.184 0.744 -10.933 1.00 10.00 C ATOM 719 C LYS A 47 1.054 1.972 -10.699 1.00 10.00 C ATOM 720 O LYS A 47 1.753 2.432 -11.601 1.00 50.00 O ATOM 721 CB LYS A 47 -1.105 1.140 -11.652 1.00 50.00 C ATOM 722 CG LYS A 47 -1.883 -0.029 -12.241 1.00 50.00 C ATOM 723 CD LYS A 47 -3.156 0.441 -12.928 1.00 50.00 C ATOM 724 CE LYS A 47 -3.932 -0.726 -13.517 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.167 -0.276 -14.216 1.00 50.00 N ATOM 0 H LYS A 47 -1.078 0.190 -9.353 1.00 10.00 H new ATOM 0 HA LYS A 47 0.739 0.049 -11.562 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.748 1.672 -10.951 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.860 1.838 -12.453 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.257 -0.561 -12.957 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.134 -0.736 -11.450 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.783 0.972 -12.212 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.905 1.149 -13.718 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.296 -1.268 -14.217 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.198 -1.423 -12.722 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.667 -1.102 -14.603 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.786 0.219 -13.543 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.912 0.369 -14.991 1.00 50.00 H new ATOM 739 N VAL A 48 1.005 2.502 -9.480 1.00 10.00 N ATOM 740 CA VAL A 48 1.869 3.610 -9.092 1.00 10.00 C ATOM 741 C VAL A 48 3.338 3.222 -9.187 1.00 10.00 C ATOM 742 O VAL A 48 3.777 2.257 -8.561 1.00 50.00 O ATOM 743 CB VAL A 48 1.566 4.087 -7.660 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.591 5.121 -7.215 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.161 4.664 -7.576 1.00 50.00 C ATOM 0 H VAL A 48 0.375 2.181 -8.744 1.00 10.00 H new ATOM 0 HA VAL A 48 1.666 4.425 -9.787 1.00 10.00 H new ATOM 0 HB VAL A 48 1.627 3.228 -6.992 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.362 5.447 -6.201 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.587 4.679 -7.238 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.559 5.978 -7.888 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.036 4.996 -6.557 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.074 5.511 -8.257 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.564 3.899 -7.855 1.00 50.00 H new ATOM 755 N GLU A 49 4.096 3.979 -9.974 1.00 10.00 N ATOM 756 CA GLU A 49 5.511 3.693 -10.182 1.00 10.00 C ATOM 757 C GLU A 49 6.278 3.732 -8.868 1.00 10.00 C ATOM 758 O GLU A 49 6.220 4.717 -8.131 1.00 50.00 O ATOM 759 CB GLU A 49 6.117 4.687 -11.175 1.00 50.00 C ATOM 760 CG GLU A 49 7.568 4.405 -11.538 1.00 50.00 C ATOM 761 CD GLU A 49 8.079 5.393 -12.550 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.313 6.218 -12.986 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.260 5.395 -12.804 1.00 50.00 O ATOM 0 H GLU A 49 3.753 4.796 -10.479 1.00 10.00 H new ATOM 0 HA GLU A 49 5.592 2.687 -10.594 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.519 4.682 -12.086 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.048 5.690 -10.754 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.185 4.448 -10.640 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.656 3.394 -11.937 1.00 50.00 H new ATOM 770 N GLY A 50 7.000 2.655 -8.577 1.00 10.00 N ATOM 771 CA GLY A 50 7.855 2.599 -7.398 1.00 10.00 C ATOM 772 C GLY A 50 7.389 1.521 -6.428 1.00 10.00 C ATOM 773 O GLY A 50 8.177 0.999 -5.639 1.00 50.00 O ATOM 0 H GLY A 50 7.010 1.807 -9.144 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.883 2.399 -7.701 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.852 3.567 -6.898 1.00 10.00 H new ATOM 777 N VAL A 51 6.104 1.192 -6.491 1.00 10.00 N ATOM 778 CA VAL A 51 5.528 0.180 -5.612 1.00 10.00 C ATOM 779 C VAL A 51 5.932 -1.222 -6.047 1.00 10.00 C ATOM 780 O VAL A 51 5.719 -1.611 -7.195 1.00 50.00 O ATOM 781 CB VAL A 51 3.991 0.274 -5.575 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.411 -0.848 -4.729 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.552 1.626 -5.036 1.00 50.00 C ATOM 0 H VAL A 51 5.440 1.611 -7.142 1.00 10.00 H new ATOM 0 HA VAL A 51 5.919 0.372 -4.613 1.00 10.00 H new ATOM 0 HB VAL A 51 3.615 0.170 -6.593 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.324 -0.767 -4.713 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.697 -1.810 -5.155 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.795 -0.773 -3.712 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.463 1.674 -5.017 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.939 1.758 -4.025 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.939 2.417 -5.678 1.00 50.00 H new ATOM 793 N LYS A 52 6.518 -1.975 -5.124 1.00 10.00 N ATOM 794 CA LYS A 52 7.052 -3.295 -5.438 1.00 10.00 C ATOM 795 C LYS A 52 6.044 -4.389 -5.111 1.00 10.00 C ATOM 796 O LYS A 52 5.629 -5.146 -5.987 1.00 50.00 O ATOM 797 CB LYS A 52 8.358 -3.538 -4.679 1.00 50.00 C ATOM 798 CG LYS A 52 9.026 -4.873 -4.989 1.00 50.00 C ATOM 799 CD LYS A 52 10.329 -5.030 -4.222 1.00 50.00 C ATOM 800 CE LYS A 52 11.006 -6.354 -4.546 1.00 50.00 C ATOM 801 NZ LYS A 52 12.313 -6.497 -3.848 1.00 50.00 N ATOM 0 H LYS A 52 6.636 -1.694 -4.151 1.00 10.00 H new ATOM 0 HA LYS A 52 7.254 -3.328 -6.509 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.055 -2.733 -4.913 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.158 -3.485 -3.609 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.350 -5.689 -4.732 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.220 -4.945 -6.059 1.00 50.00 H new ATOM 0 HD2 LYS A 52 11.000 -4.207 -4.468 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.132 -4.972 -3.151 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.350 -7.176 -4.260 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.160 -6.429 -5.623 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.741 -7.412 -4.096 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.949 -5.727 -4.140 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.164 -6.452 -2.820 1.00 50.00 H new ATOM 815 N SER A 53 5.654 -4.469 -3.842 1.00 10.00 N ATOM 816 CA SER A 53 4.741 -5.509 -3.385 1.00 10.00 C ATOM 817 C SER A 53 3.895 -5.024 -2.215 1.00 10.00 C ATOM 818 O SER A 53 4.337 -4.198 -1.417 1.00 50.00 O ATOM 819 CB SER A 53 5.521 -6.751 -2.994 1.00 50.00 C ATOM 820 OG SER A 53 6.331 -6.533 -1.872 1.00 50.00 O ATOM 0 H SER A 53 5.957 -3.824 -3.112 1.00 10.00 H new ATOM 0 HA SER A 53 4.067 -5.755 -4.206 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.826 -7.565 -2.786 1.00 50.00 H new ATOM 0 HB3 SER A 53 6.141 -7.068 -3.832 1.00 50.00 H new ATOM 0 HG SER A 53 6.814 -7.357 -1.652 1.00 50.00 H new ATOM 826 N ILE A 54 2.675 -5.542 -2.119 1.00 10.00 N ATOM 827 CA ILE A 54 1.765 -5.164 -1.046 1.00 10.00 C ATOM 828 C ILE A 54 1.275 -6.388 -0.282 1.00 10.00 C ATOM 829 O ILE A 54 0.989 -7.427 -0.875 1.00 50.00 O ATOM 830 CB ILE A 54 0.551 -4.386 -1.584 1.00 50.00 C ATOM 831 CG1 ILE A 54 1.008 -3.120 -2.311 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.403 -4.039 -0.451 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.086 -2.443 -3.107 1.00 50.00 C ATOM 0 H ILE A 54 2.294 -6.226 -2.773 1.00 10.00 H new ATOM 0 HA ILE A 54 2.327 -4.520 -0.370 1.00 10.00 H new ATOM 0 HB ILE A 54 0.021 -5.019 -2.296 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.402 -2.414 -1.579 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.828 -3.374 -2.982 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.256 -3.489 -0.849 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.752 -4.956 0.024 1.00 50.00 H new ATOM 0 HG23 ILE A 54 0.114 -3.423 0.285 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.315 -1.554 -3.593 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.464 -3.131 -3.863 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -0.898 -2.156 -2.439 1.00 50.00 H new ATOM 845 N PHE A 55 1.182 -6.258 1.035 1.00 10.00 N ATOM 846 CA PHE A 55 0.614 -7.310 1.871 1.00 10.00 C ATOM 847 C PHE A 55 -0.507 -6.770 2.750 1.00 10.00 C ATOM 848 O PHE A 55 -0.304 -5.839 3.529 1.00 50.00 O ATOM 849 CB PHE A 55 1.700 -7.949 2.737 1.00 50.00 C ATOM 850 CG PHE A 55 1.196 -9.043 3.633 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.816 -10.269 3.108 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.097 -8.849 5.003 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.351 -11.277 3.931 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.633 -9.856 5.828 1.00 50.00 C ATOM 855 CZ PHE A 55 0.260 -11.070 5.291 1.00 50.00 C ATOM 0 H PHE A 55 1.493 -5.434 1.549 1.00 10.00 H new ATOM 0 HA PHE A 55 0.194 -8.070 1.212 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.478 -8.353 2.089 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.165 -7.176 3.349 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.884 -10.438 2.043 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.386 -7.900 5.430 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.059 -12.227 3.509 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.563 -9.692 6.893 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.103 -11.858 5.935 1.00 50.00 H new ATOM 865 N HIS A 56 -1.691 -7.359 2.620 1.00 10.00 N ATOM 866 CA HIS A 56 -2.834 -6.969 3.435 1.00 10.00 C ATOM 867 C HIS A 56 -3.069 -7.964 4.565 1.00 10.00 C ATOM 868 O HIS A 56 -3.145 -9.172 4.336 1.00 50.00 O ATOM 869 CB HIS A 56 -4.096 -6.846 2.574 1.00 50.00 C ATOM 870 CG HIS A 56 -5.342 -6.596 3.365 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.582 -7.045 2.961 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.540 -5.944 4.535 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.490 -6.680 3.850 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.883 -6.011 4.812 1.00 50.00 N ATOM 0 H HIS A 56 -1.883 -8.109 1.957 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.611 -5.997 3.874 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.960 -6.034 1.860 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.221 -7.761 1.995 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -4.784 -5.462 5.137 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.548 -6.893 3.798 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.339 -5.608 5.631 1.00 50.00 H new ATOM 882 N VAL A 57 -3.187 -7.450 5.784 1.00 10.00 N ATOM 883 CA VAL A 57 -3.598 -8.262 6.922 1.00 10.00 C ATOM 884 C VAL A 57 -4.503 -7.476 7.863 1.00 10.00 C ATOM 885 O VAL A 57 -4.168 -6.367 8.278 1.00 50.00 O ATOM 886 CB VAL A 57 -2.382 -8.784 7.712 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.536 -7.624 8.214 1.00 50.00 C ATOM 888 CG2 VAL A 57 -2.835 -9.654 8.875 1.00 50.00 C ATOM 0 H VAL A 57 -3.003 -6.472 6.009 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.150 -9.111 6.518 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.773 -9.392 7.044 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.682 -8.011 8.770 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.182 -7.038 7.366 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.137 -6.991 8.867 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -1.963 -10.014 9.421 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.466 -9.068 9.543 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.401 -10.504 8.494 1.00 50.00 H new ATOM 898 N MET A 58 -5.650 -8.059 8.197 1.00 10.00 N ATOM 899 CA MET A 58 -6.593 -7.425 9.109 1.00 10.00 C ATOM 900 C MET A 58 -7.061 -6.079 8.570 1.00 10.00 C ATOM 901 O MET A 58 -7.639 -6.001 7.486 1.00 50.00 O ATOM 902 CB MET A 58 -5.959 -7.251 10.488 1.00 50.00 C ATOM 903 CG MET A 58 -5.734 -8.550 11.246 1.00 50.00 C ATOM 904 SD MET A 58 -4.776 -8.317 12.758 1.00 75.00 S ATOM 905 CE MET A 58 -5.948 -7.408 13.763 1.00 75.00 C ATOM 0 H MET A 58 -5.948 -8.970 7.849 1.00 10.00 H new ATOM 0 HA MET A 58 -7.464 -8.074 9.198 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.002 -6.742 10.373 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.596 -6.601 11.088 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.699 -8.992 11.496 1.00 50.00 H new ATOM 0 HG3 MET A 58 -5.217 -9.259 10.599 1.00 50.00 H new ATOM 0 HE1 MET A 58 -5.568 -7.327 14.781 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.087 -6.410 13.347 1.00 75.00 H new ATOM 0 HE3 MET A 58 -6.903 -7.933 13.773 1.00 75.00 H new ATOM 915 N ASP A 59 -6.807 -5.022 9.334 1.00 10.00 N ATOM 916 CA ASP A 59 -7.325 -3.698 9.004 1.00 10.00 C ATOM 917 C ASP A 59 -6.192 -2.712 8.753 1.00 10.00 C ATOM 918 O ASP A 59 -6.338 -1.511 8.985 1.00 50.00 O ATOM 919 CB ASP A 59 -8.231 -3.183 10.123 1.00 50.00 C ATOM 920 CG ASP A 59 -7.542 -3.030 11.473 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.402 -3.416 11.582 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.100 -2.393 12.334 1.00 50.00 O ATOM 0 H ASP A 59 -6.246 -5.056 10.185 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.910 -3.787 8.088 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.640 -2.217 9.827 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.073 -3.866 10.234 1.00 50.00 H new ATOM 927 N PHE A 60 -5.061 -3.224 8.278 1.00 10.00 N ATOM 928 CA PHE A 60 -3.951 -2.376 7.864 1.00 10.00 C ATOM 929 C PHE A 60 -3.152 -3.025 6.741 1.00 10.00 C ATOM 930 O PHE A 60 -3.146 -4.246 6.596 1.00 50.00 O ATOM 931 CB PHE A 60 -3.036 -2.073 9.054 1.00 50.00 C ATOM 932 CG PHE A 60 -2.334 -3.282 9.601 1.00 50.00 C ATOM 933 CD1 PHE A 60 -2.940 -4.082 10.557 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.064 -3.623 9.157 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.294 -5.194 11.062 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.417 -4.736 9.660 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.031 -5.521 10.612 1.00 50.00 C ATOM 0 H PHE A 60 -4.890 -4.224 8.170 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.367 -1.440 7.490 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.291 -1.338 8.750 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.627 -1.617 9.848 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -3.929 -3.833 10.912 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.577 -3.013 8.411 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -2.777 -5.807 11.808 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.571 -4.991 9.307 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.525 -6.390 11.005 1.00 50.00 H new ATOM 947 N ILE A 61 -2.477 -2.198 5.949 1.00 10.00 N ATOM 948 CA ILE A 61 -1.796 -2.672 4.749 1.00 10.00 C ATOM 949 C ILE A 61 -0.316 -2.315 4.779 1.00 10.00 C ATOM 950 O ILE A 61 0.053 -1.182 5.095 1.00 50.00 O ATOM 951 CB ILE A 61 -2.430 -2.092 3.473 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.882 -2.558 3.338 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.622 -2.494 2.248 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.627 -1.910 2.193 1.00 50.00 C ATOM 0 H ILE A 61 -2.387 -1.196 6.117 1.00 10.00 H new ATOM 0 HA ILE A 61 -1.904 -3.757 4.734 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.424 -1.004 3.546 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.896 -3.639 3.202 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.410 -2.347 4.268 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.084 -2.076 1.354 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.605 -2.114 2.342 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.597 -3.581 2.169 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.648 -2.290 2.162 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.646 -0.830 2.337 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.124 -2.142 1.254 1.00 50.00 H new ATOM 966 N SER A 62 0.530 -3.284 4.449 1.00 10.00 N ATOM 967 CA SER A 62 1.966 -3.051 4.356 1.00 10.00 C ATOM 968 C SER A 62 2.401 -2.869 2.907 1.00 10.00 C ATOM 969 O SER A 62 2.352 -3.807 2.112 1.00 50.00 O ATOM 970 CB SER A 62 2.722 -4.200 4.994 1.00 50.00 C ATOM 971 OG SER A 62 4.110 -4.040 4.883 1.00 50.00 O ATOM 0 H SER A 62 0.245 -4.241 4.241 1.00 10.00 H new ATOM 0 HA SER A 62 2.198 -2.131 4.893 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.448 -4.274 6.047 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.426 -5.136 4.521 1.00 50.00 H new ATOM 0 HG SER A 62 4.562 -4.799 5.307 1.00 50.00 H new ATOM 977 N VAL A 63 2.826 -1.655 2.571 1.00 10.00 N ATOM 978 CA VAL A 63 3.197 -1.326 1.201 1.00 10.00 C ATOM 979 C VAL A 63 4.707 -1.196 1.055 1.00 10.00 C ATOM 980 O VAL A 63 5.323 -0.309 1.646 1.00 50.00 O ATOM 981 CB VAL A 63 2.531 -0.019 0.733 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.956 0.315 -0.688 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.018 -0.131 0.823 1.00 50.00 C ATOM 0 H VAL A 63 2.922 -0.883 3.230 1.00 10.00 H new ATOM 0 HA VAL A 63 2.844 -2.146 0.575 1.00 10.00 H new ATOM 0 HB VAL A 63 2.856 0.788 1.389 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.476 1.242 -1.003 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.039 0.436 -0.725 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.658 -0.493 -1.356 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.564 0.802 0.488 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.675 -0.949 0.190 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.728 -0.326 1.856 1.00 50.00 H new ATOM 993 N ASP A 64 5.300 -2.084 0.266 1.00 10.00 N ATOM 994 CA ASP A 64 6.750 -2.126 0.112 1.00 10.00 C ATOM 995 C ASP A 64 7.170 -1.651 -1.274 1.00 10.00 C ATOM 996 O ASP A 64 6.673 -2.143 -2.286 1.00 50.00 O ATOM 997 CB ASP A 64 7.276 -3.541 0.363 1.00 50.00 C ATOM 998 CG ASP A 64 8.791 -3.671 0.296 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.437 -2.703 -0.028 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.300 -4.680 0.719 1.00 50.00 O ATOM 0 H ASP A 64 4.799 -2.786 -0.278 1.00 10.00 H new ATOM 0 HA ASP A 64 7.183 -1.451 0.851 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.938 -3.872 1.345 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.833 -4.215 -0.370 1.00 50.00 H new ATOM 1005 N LYS A 65 8.089 -0.691 -1.311 1.00 10.00 N ATOM 1006 CA LYS A 65 8.528 -0.101 -2.569 1.00 10.00 C ATOM 1007 C LYS A 65 9.826 -0.733 -3.051 1.00 10.00 C ATOM 1008 O LYS A 65 10.373 -1.626 -2.401 1.00 50.00 O ATOM 1009 CB LYS A 65 8.704 1.410 -2.418 1.00 50.00 C ATOM 1010 CG LYS A 65 9.865 1.823 -1.525 1.00 50.00 C ATOM 1011 CD LYS A 65 10.115 3.322 -1.597 1.00 50.00 C ATOM 1012 CE LYS A 65 11.199 3.751 -0.617 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.546 3.287 -1.041 1.00 50.00 N ATOM 0 H LYS A 65 8.544 -0.306 -0.483 1.00 10.00 H new ATOM 0 HA LYS A 65 7.757 -0.296 -3.315 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.849 1.847 -3.406 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.784 1.832 -2.014 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.653 1.537 -0.495 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.766 1.288 -1.826 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.409 3.595 -2.610 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.191 3.858 -1.378 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.200 4.838 -0.530 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.973 3.352 0.372 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.253 3.585 -0.339 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.548 2.250 -1.116 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.781 3.701 -1.966 1.00 50.00 H new ATOM 1027 N GLU A 66 10.319 -0.267 -4.194 1.00 10.00 N ATOM 1028 CA GLU A 66 11.625 -0.680 -4.691 1.00 10.00 C ATOM 1029 C GLU A 66 12.739 0.153 -4.073 1.00 10.00 C ATOM 1030 O GLU A 66 12.499 1.250 -3.567 1.00 50.00 O ATOM 1031 CB GLU A 66 11.675 -0.574 -6.217 1.00 50.00 C ATOM 1032 CG GLU A 66 10.720 -1.512 -6.943 1.00 50.00 C ATOM 1033 CD GLU A 66 10.885 -1.410 -8.435 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.632 -0.571 -8.874 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.350 -2.243 -9.129 1.00 50.00 O ATOM 0 H GLU A 66 9.832 0.398 -4.794 1.00 10.00 H new ATOM 0 HA GLU A 66 11.777 -1.720 -4.402 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.447 0.452 -6.506 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.692 -0.781 -6.551 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.902 -2.538 -6.624 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.692 -1.271 -6.671 1.00 50.00 H new ATOM 1042 N ASN A 67 13.958 -0.372 -4.115 1.00 10.00 N ATOM 1043 CA ASN A 67 15.107 0.305 -3.523 1.00 10.00 C ATOM 1044 C ASN A 67 15.369 1.641 -4.207 1.00 10.00 C ATOM 1045 O ASN A 67 15.706 2.628 -3.552 1.00 50.00 O ATOM 1046 CB ASN A 67 16.350 -0.562 -3.575 1.00 50.00 C ATOM 1047 CG ASN A 67 16.326 -1.712 -2.605 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.581 -1.703 -1.619 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.194 -2.663 -2.836 1.00 50.00 N ATOM 0 H ASN A 67 14.177 -1.266 -4.554 1.00 10.00 H new ATOM 0 HA ASN A 67 14.867 0.492 -2.476 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.468 -0.953 -4.586 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.223 0.057 -3.369 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.279 -3.445 -2.186 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.786 -2.623 -3.666 1.00 50.00 H new ATOM 1056 N ASP A 68 15.210 1.667 -5.525 1.00 10.00 N ATOM 1057 CA ASP A 68 15.410 2.888 -6.297 1.00 10.00 C ATOM 1058 C ASP A 68 14.306 3.901 -6.018 1.00 10.00 C ATOM 1059 O ASP A 68 14.562 5.099 -5.909 1.00 50.00 O ATOM 1060 CB ASP A 68 15.469 2.574 -7.793 1.00 50.00 C ATOM 1061 CG ASP A 68 16.751 1.885 -8.241 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.686 1.859 -7.477 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.735 1.256 -9.273 1.00 50.00 O ATOM 0 H ASP A 68 14.943 0.855 -6.082 1.00 10.00 H new ATOM 0 HA ASP A 68 16.361 3.324 -5.990 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.621 1.941 -8.053 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.356 3.503 -8.352 1.00 50.00 H new ATOM 1068 N ALA A 69 13.075 3.411 -5.907 1.00 10.00 N ATOM 1069 CA ALA A 69 11.923 4.278 -5.688 1.00 10.00 C ATOM 1070 C ALA A 69 12.069 5.074 -4.397 1.00 10.00 C ATOM 1071 O ALA A 69 12.828 4.693 -3.505 1.00 50.00 O ATOM 1072 CB ALA A 69 10.641 3.459 -5.667 1.00 50.00 C ATOM 0 H ALA A 69 12.850 2.418 -5.965 1.00 10.00 H new ATOM 0 HA ALA A 69 11.873 4.987 -6.514 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.790 4.120 -5.503 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.522 2.945 -6.621 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.691 2.725 -4.863 1.00 50.00 H new ATOM 1078 N ASN A 70 11.339 6.180 -4.305 1.00 10.00 N ATOM 1079 CA ASN A 70 11.310 6.979 -3.084 1.00 10.00 C ATOM 1080 C ASN A 70 9.885 7.145 -2.570 1.00 10.00 C ATOM 1081 O ASN A 70 8.936 7.200 -3.352 1.00 50.00 O ATOM 1082 CB ASN A 70 11.956 8.335 -3.293 1.00 50.00 C ATOM 1083 CG ASN A 70 13.417 8.265 -3.639 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.256 7.906 -2.802 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.734 8.680 -4.838 1.00 50.00 N ATOM 0 H ASN A 70 10.759 6.544 -5.061 1.00 10.00 H new ATOM 0 HA ASN A 70 11.887 6.441 -2.332 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.428 8.859 -4.090 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.835 8.928 -2.387 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.713 8.719 -5.122 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.002 8.964 -5.489 1.00 50.00 H new ATOM 1092 N TRP A 71 9.744 7.226 -1.251 1.00 10.00 N ATOM 1093 CA TRP A 71 8.435 7.402 -0.632 1.00 10.00 C ATOM 1094 C TRP A 71 7.881 8.796 -0.902 1.00 10.00 C ATOM 1095 O TRP A 71 6.667 9.000 -0.905 1.00 50.00 O ATOM 1096 CB TRP A 71 8.523 7.155 0.875 1.00 50.00 C ATOM 1097 CG TRP A 71 8.568 5.703 1.242 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.462 5.100 2.075 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.682 4.671 0.788 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.191 3.757 2.169 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.100 3.470 1.388 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.574 4.650 -0.067 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.456 2.263 1.162 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.929 3.441 -0.293 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.356 2.281 0.305 1.00 50.00 C ATOM 0 H TRP A 71 10.519 7.173 -0.590 1.00 10.00 H new ATOM 0 HA TRP A 71 7.754 6.674 -1.074 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.414 7.648 1.264 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.665 7.618 1.362 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.267 5.605 2.587 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.715 3.083 2.728 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.227 5.556 -0.542 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.792 1.349 1.629 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 5.074 3.413 -0.952 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.827 1.360 0.107 1.00 50.00 H new ATOM 1116 N GLU A 72 8.777 9.750 -1.128 1.00 10.00 N ATOM 1117 CA GLU A 72 8.378 11.121 -1.423 1.00 10.00 C ATOM 1118 C GLU A 72 7.470 11.179 -2.644 1.00 10.00 C ATOM 1119 O GLU A 72 6.554 12.001 -2.711 1.00 50.00 O ATOM 1120 CB GLU A 72 9.611 12.002 -1.643 1.00 50.00 C ATOM 1121 CG GLU A 72 10.416 12.282 -0.381 1.00 50.00 C ATOM 1122 CD GLU A 72 11.661 13.065 -0.691 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.911 13.316 -1.845 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.304 13.509 0.231 1.00 75.00 O ATOM 0 H GLU A 72 9.786 9.599 -1.113 1.00 10.00 H new ATOM 0 HA GLU A 72 7.821 11.498 -0.565 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.260 11.521 -2.375 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.292 12.951 -2.074 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.802 12.836 0.329 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.685 11.341 0.098 1.00 50.00 H new ATOM 1131 N THR A 73 7.727 10.302 -3.609 1.00 10.00 N ATOM 1132 CA THR A 73 6.884 10.199 -4.794 1.00 10.00 C ATOM 1133 C THR A 73 5.657 9.337 -4.524 1.00 10.00 C ATOM 1134 O THR A 73 4.530 9.735 -4.816 1.00 50.00 O ATOM 1135 CB THR A 73 7.657 9.611 -5.988 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.762 10.466 -6.313 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.748 9.481 -7.202 1.00 50.00 C ATOM 0 H THR A 73 8.513 9.652 -3.593 1.00 10.00 H new ATOM 0 HA THR A 73 6.566 11.212 -5.041 1.00 10.00 H new ATOM 0 HB THR A 73 8.022 8.621 -5.713 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.254 10.090 -7.072 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.312 9.064 -8.036 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.913 8.822 -6.963 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.367 10.464 -7.478 1.00 50.00 H new ATOM 1145 N VAL A 74 5.884 8.154 -3.962 1.00 10.00 N ATOM 1146 CA VAL A 74 4.866 7.110 -3.938 1.00 10.00 C ATOM 1147 C VAL A 74 3.721 7.477 -3.004 1.00 10.00 C ATOM 1148 O VAL A 74 2.552 7.411 -3.383 1.00 50.00 O ATOM 1149 CB VAL A 74 5.456 5.756 -3.505 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.348 4.732 -3.300 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.457 5.255 -4.535 1.00 50.00 C ATOM 0 H VAL A 74 6.764 7.894 -3.517 1.00 10.00 H new ATOM 0 HA VAL A 74 4.485 7.021 -4.955 1.00 10.00 H new ATOM 0 HB VAL A 74 5.977 5.896 -2.558 1.00 50.00 H new ATOM 0 HG11 VAL A 74 4.784 3.781 -2.994 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.666 5.084 -2.526 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.800 4.597 -4.233 1.00 50.00 H new ATOM 0 HG21 VAL A 74 6.863 4.297 -4.211 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.959 5.132 -5.497 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.267 5.977 -4.636 1.00 50.00 H new ATOM 1161 N LEU A 75 4.064 7.866 -1.781 1.00 10.00 N ATOM 1162 CA LEU A 75 3.097 7.907 -0.691 1.00 10.00 C ATOM 1163 C LEU A 75 1.969 8.884 -0.992 1.00 50.00 C ATOM 1164 O LEU A 75 0.795 8.567 -0.799 1.00 50.00 O ATOM 1165 CB LEU A 75 3.794 8.287 0.621 1.00 50.00 C ATOM 1166 CG LEU A 75 4.574 7.152 1.299 1.00 50.00 C ATOM 1167 CD1 LEU A 75 5.250 7.666 2.562 1.00 50.00 C ATOM 1168 CD2 LEU A 75 3.626 6.006 1.621 1.00 50.00 C ATOM 0 H LEU A 75 5.006 8.158 -1.520 1.00 10.00 H new ATOM 0 HA LEU A 75 2.662 6.913 -0.587 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.480 9.111 0.424 1.00 50.00 H new ATOM 0 HB3 LEU A 75 3.043 8.658 1.319 1.00 50.00 H new ATOM 0 HG LEU A 75 5.348 6.787 0.623 1.00 50.00 H new ATOM 0 HD11 LEU A 75 5.801 6.854 3.036 1.00 50.00 H new ATOM 0 HD12 LEU A 75 5.939 8.470 2.304 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.495 8.043 3.251 1.00 50.00 H new ATOM 0 HD21 LEU A 75 4.180 5.200 2.102 1.00 50.00 H new ATOM 0 HD22 LEU A 75 2.843 6.359 2.292 1.00 50.00 H new ATOM 0 HD23 LEU A 75 3.175 5.637 0.700 1.00 50.00 H new ATOM 1180 N PRO A 76 2.330 10.070 -1.467 1.00 50.00 N ATOM 1181 CA PRO A 76 1.346 11.072 -1.857 1.00 50.00 C ATOM 1182 C PRO A 76 0.246 10.458 -2.715 1.00 50.00 C ATOM 1183 O PRO A 76 -0.937 10.736 -2.516 1.00 50.00 O ATOM 1184 CB PRO A 76 2.160 12.117 -2.626 1.00 50.00 C ATOM 1185 CG PRO A 76 3.504 12.084 -1.988 1.00 50.00 C ATOM 1186 CD PRO A 76 3.757 10.634 -1.665 1.00 50.00 C ATOM 0 HA PRO A 76 0.827 11.509 -1.004 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.218 11.873 -3.687 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.709 13.106 -2.550 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.268 12.476 -2.660 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.527 12.697 -1.087 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.284 10.126 -2.473 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.365 10.520 -0.767 1.00 50.00 H new ATOM 1194 N LYS A 77 0.642 9.622 -3.668 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.309 8.966 -4.556 1.00 50.00 C ATOM 1196 C LYS A 77 -1.101 7.893 -3.819 1.00 50.00 C ATOM 1197 O LYS A 77 -2.322 7.811 -3.949 1.00 50.00 O ATOM 1198 CB LYS A 77 0.414 8.354 -5.758 1.00 50.00 C ATOM 1199 CG LYS A 77 0.995 9.373 -6.728 1.00 50.00 C ATOM 1200 CD LYS A 77 1.711 8.692 -7.884 1.00 50.00 C ATOM 1201 CE LYS A 77 2.291 9.711 -8.855 1.00 50.00 C ATOM 1202 NZ LYS A 77 2.985 9.056 -9.997 1.00 50.00 N ATOM 0 H LYS A 77 1.617 9.382 -3.845 1.00 50.00 H new ATOM 0 HA LYS A 77 -1.009 9.722 -4.912 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.219 7.715 -5.395 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.283 7.713 -6.298 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.196 10.006 -7.115 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.691 10.025 -6.200 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.510 8.060 -7.497 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.015 8.039 -8.411 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.492 10.348 -9.233 1.00 50.00 H new ATOM 0 HE3 LYS A 77 2.992 10.358 -8.327 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.366 9.783 -10.635 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 3.764 8.468 -9.639 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.311 8.458 -10.516 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.398 7.072 -3.048 1.00 50.00 N ATOM 1217 CA VAL A 78 -1.033 5.991 -2.302 1.00 50.00 C ATOM 1218 C VAL A 78 -2.120 6.522 -1.378 1.00 50.00 C ATOM 1219 O VAL A 78 -3.240 6.011 -1.364 1.00 50.00 O ATOM 1220 CB VAL A 78 -0.006 5.200 -1.470 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.712 4.219 -0.546 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.967 4.467 -2.379 1.00 50.00 C ATOM 0 H VAL A 78 0.612 7.134 -2.923 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.482 5.324 -3.038 1.00 50.00 H new ATOM 0 HB VAL A 78 0.558 5.905 -0.860 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.028 3.669 0.034 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.370 4.765 0.130 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.301 3.520 -1.139 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.685 3.914 -1.773 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.418 3.773 -3.015 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.497 5.188 -3.001 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.785 7.551 -0.607 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.751 8.199 0.270 1.00 50.00 C ATOM 1234 C GLU A 79 -3.984 8.648 -0.504 1.00 50.00 C ATOM 1235 O GLU A 79 -5.114 8.457 -0.055 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.113 9.396 0.979 1.00 50.00 C ATOM 1237 CG GLU A 79 -3.041 10.124 1.941 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.339 11.269 2.614 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -1.175 11.463 2.357 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.993 12.020 3.300 1.00 50.00 O ATOM 0 H GLU A 79 -0.849 7.954 -0.572 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.063 7.469 1.017 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.237 9.053 1.529 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.761 10.103 0.228 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.911 10.496 1.400 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.408 9.426 2.694 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.760 9.244 -1.670 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.853 9.681 -2.530 1.00 50.00 C ATOM 1249 C ALA A 80 -5.776 8.522 -2.881 1.00 50.00 C ATOM 1250 O ALA A 80 -6.997 8.672 -2.898 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.306 10.328 -3.794 1.00 50.00 C ATOM 0 H ALA A 80 -2.830 9.436 -2.042 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.438 10.420 -1.982 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.134 10.649 -4.426 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.698 11.192 -3.527 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.694 9.607 -4.336 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.185 7.364 -3.158 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.947 6.198 -3.584 1.00 50.00 C ATOM 1259 C VAL A 81 -7.021 5.838 -2.566 1.00 50.00 C ATOM 1260 O VAL A 81 -8.186 5.654 -2.917 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.035 4.975 -3.806 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.868 3.718 -3.998 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.126 5.199 -5.005 1.00 50.00 C ATOM 0 H VAL A 81 -4.179 7.209 -3.095 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.421 6.463 -4.529 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.412 4.844 -2.921 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.208 2.864 -4.153 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.479 3.548 -3.112 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.515 3.839 -4.867 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.489 4.326 -5.147 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.732 5.355 -5.897 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.504 6.077 -4.831 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.621 5.742 -1.302 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.551 5.409 -0.229 1.00 50.00 C ATOM 1275 C PHE A 82 -8.555 6.533 -0.002 1.00 50.00 C ATOM 1276 O PHE A 82 -9.694 6.289 0.398 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.789 5.116 1.064 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.969 3.857 1.012 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.565 2.616 1.180 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.600 3.913 0.794 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.812 1.459 1.135 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.846 2.757 0.744 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.452 1.530 0.916 1.00 50.00 C ATOM 0 H PHE A 82 -5.659 5.890 -0.996 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.101 4.517 -0.527 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.133 5.957 1.287 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.501 5.041 1.886 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.630 2.554 1.348 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.119 4.871 0.662 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.288 0.499 1.271 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.782 2.814 0.570 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.862 0.626 0.879 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.127 7.763 -0.259 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.962 8.932 -0.011 1.00 50.00 C ATOM 1295 C GLU A 83 -9.521 9.497 -1.309 1.00 50.00 C ATOM 1296 O GLU A 83 -9.761 10.700 -1.422 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.166 10.010 0.732 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.518 9.534 2.024 1.00 50.00 C ATOM 1299 CD GLU A 83 -8.543 8.996 2.982 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -9.499 9.685 3.249 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -8.433 7.854 3.363 1.00 75.00 O ATOM 0 H GLU A 83 -7.205 7.977 -0.640 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.800 8.617 0.611 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.389 10.392 0.070 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.831 10.844 0.959 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.783 8.760 1.801 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.980 10.360 2.489 1.00 50.00 H new