USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 833 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 49 TYR OH : rot 180:sc= 0.629 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -166:sc= 0.705 (180deg=-0.0393) USER MOD Set 2.1: A 32 CYS SG : rot -54:sc= 0.822 USER MOD Set 2.2: A 35 CYS SG : rot 77:sc= 0.0735 USER MOD Set 3.1: A 8 THR OG1 : rot -50:sc= 0.863 USER MOD Set 3.2: A 11 SER OG : rot 102:sc= 2.49 USER MOD Set 4.1: A 3 LYS NZ :NH3+ 175:sc= 1.05 (180deg=0) USER MOD Set 4.2: A 50 GLN : amide:sc= 1.95 K(o=3,f=-1.6) USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.0837 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.479 USER MOD Single : A 6 HIS : no HD1:sc= 1.09 K(o=1.1,f=-3.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 0.422 (180deg=0.421) USER MOD Single : A 59 ASN : amide:sc= 2.33 K(o=2.3,f=-8!) USER MOD Single : A 62 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.042) USER MOD Single : A 63 ASN : amide:sc= 1.02 K(o=1,f=-6.2!) USER MOD Single : A 66 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0155) USER MOD Single : A 70 TYR OH : rot -121:sc= 0.21 USER MOD Single : A 77 THR OG1 : rot -60:sc= 1.14 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= 1.23 (180deg=1.06) USER MOD Single : A 83 ASN : amide:sc= 0.923 K(o=0.92,f=-0.1) USER MOD Single : A 89 THR OG1 : rot 38:sc= 1.25 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 139:sc= 0.587 USER MOD Single : A 96 LYS NZ :NH3+ -146:sc= 0.00397 (180deg=-0.644) USER MOD Single : A 98 GLN : amide:sc= 0.15 X(o=0.15,f=-0.11) USER MOD Single : A 106 ASN : amide:sc= 0.282 K(o=0.28,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.370 -6.674 -11.598 1.00 0.00 N ATOM 2 CA SER A 1 -15.890 -6.317 -10.289 1.00 0.00 C ATOM 3 C SER A 1 -14.965 -5.292 -9.631 1.00 0.00 C ATOM 4 O SER A 1 -15.244 -4.095 -9.635 1.00 0.00 O ATOM 5 CB SER A 1 -16.037 -7.591 -9.445 1.00 0.00 C ATOM 6 OG SER A 1 -14.833 -8.340 -9.485 1.00 0.00 O ATOM 0 H1 SER A 1 -16.157 -6.760 -12.272 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.714 -5.936 -11.924 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.866 -7.582 -11.536 1.00 0.00 H new ATOM 0 HA SER A 1 -16.874 -5.857 -10.379 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.278 -7.329 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.863 -8.194 -9.822 1.00 0.00 H new ATOM 0 HG SER A 1 -14.934 -9.150 -8.943 1.00 0.00 H new ATOM 12 N ASP A 2 -13.856 -5.778 -9.074 1.00 0.00 N ATOM 13 CA ASP A 2 -12.853 -4.939 -8.438 1.00 0.00 C ATOM 14 C ASP A 2 -12.271 -3.982 -9.482 1.00 0.00 C ATOM 15 O ASP A 2 -11.934 -4.396 -10.589 1.00 0.00 O ATOM 16 CB ASP A 2 -11.760 -5.816 -7.807 1.00 0.00 C ATOM 17 CG ASP A 2 -10.775 -5.039 -6.930 1.00 0.00 C ATOM 18 OD1 ASP A 2 -10.845 -3.791 -6.920 1.00 0.00 O ATOM 19 OD2 ASP A 2 -9.965 -5.718 -6.263 1.00 0.00 O ATOM 0 H ASP A 2 -13.631 -6.773 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.305 -4.350 -7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.232 -6.593 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.207 -6.319 -8.601 1.00 0.00 H new ATOM 24 N LYS A 3 -12.134 -2.708 -9.117 1.00 0.00 N ATOM 25 CA LYS A 3 -11.547 -1.687 -9.968 1.00 0.00 C ATOM 26 C LYS A 3 -10.034 -1.896 -10.062 1.00 0.00 C ATOM 27 O LYS A 3 -9.409 -1.541 -11.059 1.00 0.00 O ATOM 28 CB LYS A 3 -11.817 -0.304 -9.360 1.00 0.00 C ATOM 29 CG LYS A 3 -13.281 -0.002 -9.012 1.00 0.00 C ATOM 30 CD LYS A 3 -14.234 -0.151 -10.200 1.00 0.00 C ATOM 31 CE LYS A 3 -13.939 0.836 -11.334 1.00 0.00 C ATOM 32 NZ LYS A 3 -14.959 0.750 -12.394 1.00 0.00 N ATOM 0 H LYS A 3 -12.434 -2.356 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.989 -1.754 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.220 -0.203 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.466 0.455 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.602 -0.671 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.352 1.014 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.168 -1.168 -10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.258 -0.006 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.908 1.851 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.955 0.627 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.782 1.486 -13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.913 -0.186 -12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.903 0.889 -11.980 1.00 0.00 H new ATOM 46 N ILE A 4 -9.446 -2.435 -8.992 1.00 0.00 N ATOM 47 CA ILE A 4 -8.020 -2.636 -8.861 1.00 0.00 C ATOM 48 C ILE A 4 -7.581 -3.889 -9.614 1.00 0.00 C ATOM 49 O ILE A 4 -8.260 -4.914 -9.587 1.00 0.00 O ATOM 50 CB ILE A 4 -7.659 -2.710 -7.370 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.063 -1.390 -6.686 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.170 -3.003 -7.168 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.625 -1.323 -5.224 1.00 0.00 C ATOM 0 H ILE A 4 -9.972 -2.749 -8.176 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.487 -1.796 -9.306 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.208 -3.534 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.624 -0.554 -7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.145 -1.273 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.950 -3.048 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.921 -3.958 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.578 -2.212 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.937 -0.371 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.085 -2.140 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.540 -1.410 -5.165 1.00 0.00 H new ATOM 65 N ILE A 5 -6.415 -3.802 -10.255 1.00 0.00 N ATOM 66 CA ILE A 5 -5.809 -4.902 -10.999 1.00 0.00 C ATOM 67 C ILE A 5 -4.921 -5.728 -10.059 1.00 0.00 C ATOM 68 O ILE A 5 -3.967 -5.203 -9.488 1.00 0.00 O ATOM 69 CB ILE A 5 -5.004 -4.346 -12.190 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.823 -3.386 -13.076 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.412 -5.487 -13.032 1.00 0.00 C ATOM 72 CD1 ILE A 5 -7.132 -3.975 -13.615 1.00 0.00 C ATOM 0 H ILE A 5 -5.857 -2.949 -10.271 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.587 -5.555 -11.395 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.190 -3.760 -11.764 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.053 -2.489 -12.501 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.206 -3.075 -13.919 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.849 -5.069 -13.866 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.749 -6.090 -12.412 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.218 -6.112 -13.416 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.641 -3.230 -14.227 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.913 -4.854 -14.221 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.774 -4.260 -12.781 1.00 0.00 H new ATOM 84 N HIS A 6 -5.209 -7.022 -9.892 1.00 0.00 N ATOM 85 CA HIS A 6 -4.415 -7.900 -9.039 1.00 0.00 C ATOM 86 C HIS A 6 -3.237 -8.453 -9.839 1.00 0.00 C ATOM 87 O HIS A 6 -3.433 -9.245 -10.757 1.00 0.00 O ATOM 88 CB HIS A 6 -5.281 -9.020 -8.452 1.00 0.00 C ATOM 89 CG HIS A 6 -6.199 -8.514 -7.367 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.101 -8.799 -6.018 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.192 -7.592 -7.534 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.032 -8.066 -5.379 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.707 -7.331 -6.283 1.00 0.00 N ATOM 0 H HIS A 6 -5.997 -7.486 -10.344 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.023 -7.330 -8.197 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.874 -9.474 -9.246 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.638 -9.802 -8.048 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.512 -7.152 -8.467 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.209 -8.067 -4.314 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.472 -6.688 -6.076 1.00 0.00 H new ATOM 102 N LEU A 7 -2.020 -8.030 -9.494 1.00 0.00 N ATOM 103 CA LEU A 7 -0.789 -8.431 -10.160 1.00 0.00 C ATOM 104 C LEU A 7 -0.124 -9.597 -9.435 1.00 0.00 C ATOM 105 O LEU A 7 -0.363 -9.821 -8.248 1.00 0.00 O ATOM 106 CB LEU A 7 0.193 -7.254 -10.140 1.00 0.00 C ATOM 107 CG LEU A 7 -0.323 -5.999 -10.849 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.615 -4.836 -10.534 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.407 -6.200 -12.359 1.00 0.00 C ATOM 0 H LEU A 7 -1.864 -7.382 -8.722 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.038 -8.731 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.424 -7.005 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.127 -7.565 -10.609 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.330 -5.786 -10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.258 -3.935 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.638 -4.669 -9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.619 -5.073 -10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.777 -5.288 -12.827 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.583 -6.433 -12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.087 -7.023 -12.579 1.00 0.00 H new ATOM 121 N THR A 8 0.764 -10.293 -10.149 1.00 0.00 N ATOM 122 CA THR A 8 1.593 -11.358 -9.623 1.00 0.00 C ATOM 123 C THR A 8 3.005 -11.109 -10.155 1.00 0.00 C ATOM 124 O THR A 8 3.162 -10.354 -11.113 1.00 0.00 O ATOM 125 CB THR A 8 1.058 -12.719 -10.074 1.00 0.00 C ATOM 126 OG1 THR A 8 1.200 -12.823 -11.478 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.413 -12.925 -9.695 1.00 0.00 C ATOM 0 H THR A 8 0.924 -10.118 -11.141 1.00 0.00 H new ATOM 0 HA THR A 8 1.592 -11.367 -8.533 1.00 0.00 H new ATOM 0 HB THR A 8 1.635 -13.491 -9.564 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.826 -12.024 -11.905 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.743 -13.906 -10.038 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.522 -12.864 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.021 -12.153 -10.165 1.00 0.00 H new ATOM 135 N ASP A 9 4.031 -11.732 -9.572 1.00 0.00 N ATOM 136 CA ASP A 9 5.412 -11.553 -10.005 1.00 0.00 C ATOM 137 C ASP A 9 5.544 -11.950 -11.476 1.00 0.00 C ATOM 138 O ASP A 9 6.102 -11.217 -12.288 1.00 0.00 O ATOM 139 CB ASP A 9 6.347 -12.381 -9.105 1.00 0.00 C ATOM 140 CG ASP A 9 7.806 -11.931 -9.154 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.202 -11.315 -10.167 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.512 -12.216 -8.162 1.00 0.00 O ATOM 0 H ASP A 9 3.925 -12.374 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 9 5.700 -10.506 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.992 -12.322 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.289 -13.428 -9.402 1.00 0.00 H new ATOM 147 N ASP A 10 4.982 -13.110 -11.820 1.00 0.00 N ATOM 148 CA ASP A 10 5.001 -13.628 -13.179 1.00 0.00 C ATOM 149 C ASP A 10 4.235 -12.718 -14.141 1.00 0.00 C ATOM 150 O ASP A 10 4.694 -12.490 -15.258 1.00 0.00 O ATOM 151 CB ASP A 10 4.460 -15.063 -13.216 1.00 0.00 C ATOM 152 CG ASP A 10 3.054 -15.178 -12.638 1.00 0.00 C ATOM 153 OD1 ASP A 10 2.970 -15.213 -11.391 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.103 -15.216 -13.448 1.00 0.00 O ATOM 0 H ASP A 10 4.500 -13.716 -11.156 1.00 0.00 H new ATOM 0 HA ASP A 10 6.038 -13.647 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.455 -15.418 -14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.132 -15.715 -12.658 1.00 0.00 H new ATOM 159 N SER A 11 3.079 -12.189 -13.730 1.00 0.00 N ATOM 160 CA SER A 11 2.282 -11.362 -14.630 1.00 0.00 C ATOM 161 C SER A 11 2.852 -9.942 -14.736 1.00 0.00 C ATOM 162 O SER A 11 2.634 -9.266 -15.741 1.00 0.00 O ATOM 163 CB SER A 11 0.811 -11.393 -14.200 1.00 0.00 C ATOM 164 OG SER A 11 0.584 -10.642 -13.015 1.00 0.00 O ATOM 0 H SER A 11 2.683 -12.317 -12.799 1.00 0.00 H new ATOM 0 HA SER A 11 2.333 -11.774 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.190 -10.997 -15.004 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.503 -12.426 -14.039 1.00 0.00 H new ATOM 0 HG SER A 11 0.185 -9.778 -13.247 1.00 0.00 H new ATOM 170 N PHE A 12 3.584 -9.500 -13.708 1.00 0.00 N ATOM 171 CA PHE A 12 4.227 -8.194 -13.595 1.00 0.00 C ATOM 172 C PHE A 12 4.888 -7.737 -14.896 1.00 0.00 C ATOM 173 O PHE A 12 4.771 -6.575 -15.282 1.00 0.00 O ATOM 174 CB PHE A 12 5.280 -8.250 -12.481 1.00 0.00 C ATOM 175 CG PHE A 12 5.641 -6.901 -11.914 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.652 -6.128 -12.511 1.00 0.00 C ATOM 177 CD2 PHE A 12 4.969 -6.425 -10.775 1.00 0.00 C ATOM 178 CE1 PHE A 12 6.983 -4.875 -11.969 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.393 -5.238 -10.163 1.00 0.00 C ATOM 180 CZ PHE A 12 6.393 -4.459 -10.766 1.00 0.00 C ATOM 0 H PHE A 12 3.751 -10.081 -12.886 1.00 0.00 H new ATOM 0 HA PHE A 12 3.448 -7.468 -13.363 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.910 -8.884 -11.676 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.182 -8.723 -12.870 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.172 -6.496 -13.383 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.129 -6.972 -10.373 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.689 -4.234 -12.476 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.951 -4.923 -9.229 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.709 -3.536 -10.302 1.00 0.00 H new ATOM 190 N ASP A 13 5.597 -8.647 -15.568 1.00 0.00 N ATOM 191 CA ASP A 13 6.267 -8.340 -16.824 1.00 0.00 C ATOM 192 C ASP A 13 5.282 -7.710 -17.809 1.00 0.00 C ATOM 193 O ASP A 13 5.418 -6.557 -18.209 1.00 0.00 O ATOM 194 CB ASP A 13 6.886 -9.612 -17.418 1.00 0.00 C ATOM 195 CG ASP A 13 7.343 -9.377 -18.856 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.420 -8.765 -19.015 1.00 0.00 O ATOM 197 OD2 ASP A 13 6.590 -9.787 -19.768 1.00 0.00 O ATOM 0 H ASP A 13 5.720 -9.610 -15.255 1.00 0.00 H new ATOM 0 HA ASP A 13 7.066 -7.624 -16.631 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.734 -9.926 -16.810 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.157 -10.422 -17.392 1.00 0.00 H new ATOM 202 N THR A 14 4.289 -8.490 -18.217 1.00 0.00 N ATOM 203 CA THR A 14 3.319 -8.064 -19.198 1.00 0.00 C ATOM 204 C THR A 14 2.434 -6.942 -18.662 1.00 0.00 C ATOM 205 O THR A 14 2.126 -5.990 -19.375 1.00 0.00 O ATOM 206 CB THR A 14 2.507 -9.294 -19.625 1.00 0.00 C ATOM 207 OG1 THR A 14 3.368 -10.419 -19.677 1.00 0.00 O ATOM 208 CG2 THR A 14 1.856 -9.091 -20.994 1.00 0.00 C ATOM 0 H THR A 14 4.140 -9.438 -17.871 1.00 0.00 H new ATOM 0 HA THR A 14 3.825 -7.646 -20.068 1.00 0.00 H new ATOM 0 HB THR A 14 1.713 -9.451 -18.895 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.857 -11.210 -19.948 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.289 -9.982 -21.263 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.185 -8.233 -20.954 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.629 -8.913 -21.742 1.00 0.00 H new ATOM 216 N ASP A 15 2.001 -7.076 -17.410 1.00 0.00 N ATOM 217 CA ASP A 15 1.056 -6.155 -16.805 1.00 0.00 C ATOM 218 C ASP A 15 1.629 -4.777 -16.509 1.00 0.00 C ATOM 219 O ASP A 15 0.907 -3.792 -16.633 1.00 0.00 O ATOM 220 CB ASP A 15 0.509 -6.733 -15.497 1.00 0.00 C ATOM 221 CG ASP A 15 -0.240 -8.055 -15.615 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.560 -8.459 -16.754 1.00 0.00 O ATOM 223 OD2 ASP A 15 -0.480 -8.645 -14.538 1.00 0.00 O ATOM 0 H ASP A 15 2.299 -7.829 -16.790 1.00 0.00 H new ATOM 0 HA ASP A 15 0.268 -6.030 -17.548 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.341 -6.870 -14.807 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.159 -5.998 -15.049 1.00 0.00 H new ATOM 228 N VAL A 16 2.878 -4.705 -16.046 1.00 0.00 N ATOM 229 CA VAL A 16 3.510 -3.461 -15.634 1.00 0.00 C ATOM 230 C VAL A 16 4.647 -3.105 -16.583 1.00 0.00 C ATOM 231 O VAL A 16 4.651 -2.030 -17.180 1.00 0.00 O ATOM 232 CB VAL A 16 4.009 -3.574 -14.178 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.569 -2.234 -13.683 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.884 -4.011 -13.232 1.00 0.00 C ATOM 0 H VAL A 16 3.482 -5.521 -15.947 1.00 0.00 H new ATOM 0 HA VAL A 16 2.775 -2.657 -15.677 1.00 0.00 H new ATOM 0 HB VAL A 16 4.797 -4.327 -14.174 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.914 -2.341 -12.655 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.404 -1.932 -14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.788 -1.475 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.270 -4.081 -12.215 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.077 -3.279 -13.264 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.504 -4.984 -13.543 1.00 0.00 H new ATOM 244 N LEU A 17 5.631 -3.997 -16.712 1.00 0.00 N ATOM 245 CA LEU A 17 6.814 -3.686 -17.503 1.00 0.00 C ATOM 246 C LEU A 17 6.494 -3.414 -18.970 1.00 0.00 C ATOM 247 O LEU A 17 7.119 -2.539 -19.566 1.00 0.00 O ATOM 248 CB LEU A 17 7.956 -4.683 -17.266 1.00 0.00 C ATOM 249 CG LEU A 17 8.310 -4.788 -15.769 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.456 -5.777 -15.554 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.717 -3.435 -15.167 1.00 0.00 C ATOM 0 H LEU A 17 5.630 -4.924 -16.286 1.00 0.00 H new ATOM 0 HA LEU A 17 7.199 -2.735 -17.136 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.668 -5.664 -17.643 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.836 -4.371 -17.828 1.00 0.00 H new ATOM 0 HG LEU A 17 7.408 -5.135 -15.265 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.691 -5.837 -14.491 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.160 -6.762 -15.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.336 -5.439 -16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.956 -3.564 -14.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.591 -3.051 -15.693 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.893 -2.729 -15.269 1.00 0.00 H new ATOM 263 N LYS A 18 5.514 -4.114 -19.548 1.00 0.00 N ATOM 264 CA LYS A 18 5.131 -3.882 -20.936 1.00 0.00 C ATOM 265 C LYS A 18 3.912 -2.953 -21.042 1.00 0.00 C ATOM 266 O LYS A 18 3.296 -2.887 -22.104 1.00 0.00 O ATOM 267 CB LYS A 18 4.921 -5.222 -21.653 1.00 0.00 C ATOM 268 CG LYS A 18 6.208 -6.059 -21.633 1.00 0.00 C ATOM 269 CD LYS A 18 6.066 -7.431 -22.308 1.00 0.00 C ATOM 270 CE LYS A 18 5.747 -7.324 -23.804 1.00 0.00 C ATOM 271 NZ LYS A 18 5.769 -8.648 -24.450 1.00 0.00 N ATOM 0 H LYS A 18 4.976 -4.841 -19.076 1.00 0.00 H new ATOM 0 HA LYS A 18 5.944 -3.361 -21.442 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.115 -5.775 -21.171 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.614 -5.044 -22.684 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.001 -5.500 -22.130 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.520 -6.204 -20.599 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.991 -7.993 -22.177 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.277 -7.996 -21.812 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.766 -6.868 -23.938 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.472 -6.669 -24.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.550 -8.545 -25.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.713 -9.071 -24.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.060 -9.264 -24.003 1.00 0.00 H new ATOM 285 N ALA A 19 3.556 -2.221 -19.975 1.00 0.00 N ATOM 286 CA ALA A 19 2.409 -1.321 -19.992 1.00 0.00 C ATOM 287 C ALA A 19 2.836 0.135 -20.151 1.00 0.00 C ATOM 288 O ALA A 19 3.240 0.791 -19.189 1.00 0.00 O ATOM 289 CB ALA A 19 1.575 -1.504 -18.728 1.00 0.00 C ATOM 0 H ALA A 19 4.055 -2.241 -19.086 1.00 0.00 H new ATOM 0 HA ALA A 19 1.798 -1.576 -20.858 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.722 -0.826 -18.754 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.219 -2.533 -18.673 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.187 -1.284 -17.853 1.00 0.00 H new ATOM 295 N ASP A 20 2.689 0.667 -21.364 1.00 0.00 N ATOM 296 CA ASP A 20 2.967 2.053 -21.705 1.00 0.00 C ATOM 297 C ASP A 20 1.832 2.957 -21.220 1.00 0.00 C ATOM 298 O ASP A 20 1.192 3.659 -21.997 1.00 0.00 O ATOM 299 CB ASP A 20 3.211 2.151 -23.214 1.00 0.00 C ATOM 300 CG ASP A 20 2.001 1.778 -24.073 1.00 0.00 C ATOM 301 OD1 ASP A 20 1.432 0.694 -23.812 1.00 0.00 O ATOM 302 OD2 ASP A 20 1.685 2.566 -24.990 1.00 0.00 O ATOM 0 H ASP A 20 2.361 0.122 -22.161 1.00 0.00 H new ATOM 0 HA ASP A 20 3.868 2.400 -21.200 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.513 3.170 -23.456 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.044 1.500 -23.479 1.00 0.00 H new ATOM 307 N GLY A 21 1.593 2.934 -19.910 1.00 0.00 N ATOM 308 CA GLY A 21 0.567 3.709 -19.234 1.00 0.00 C ATOM 309 C GLY A 21 0.925 3.826 -17.756 1.00 0.00 C ATOM 310 O GLY A 21 1.830 3.138 -17.288 1.00 0.00 O ATOM 0 H GLY A 21 2.132 2.351 -19.270 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.488 4.700 -19.682 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.405 3.228 -19.349 1.00 0.00 H new ATOM 314 N ALA A 22 0.227 4.706 -17.032 1.00 0.00 N ATOM 315 CA ALA A 22 0.471 4.948 -15.618 1.00 0.00 C ATOM 316 C ALA A 22 -0.233 3.897 -14.757 1.00 0.00 C ATOM 317 O ALA A 22 -1.467 3.847 -14.726 1.00 0.00 O ATOM 318 CB ALA A 22 0.032 6.369 -15.255 1.00 0.00 C ATOM 0 H ALA A 22 -0.528 5.272 -17.419 1.00 0.00 H new ATOM 0 HA ALA A 22 1.539 4.860 -15.417 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.216 6.547 -14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.599 7.087 -15.848 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.032 6.486 -15.463 1.00 0.00 H new ATOM 324 N ILE A 23 0.547 3.065 -14.060 1.00 0.00 N ATOM 325 CA ILE A 23 0.056 2.015 -13.185 1.00 0.00 C ATOM 326 C ILE A 23 0.558 2.246 -11.758 1.00 0.00 C ATOM 327 O ILE A 23 1.765 2.273 -11.527 1.00 0.00 O ATOM 328 CB ILE A 23 0.469 0.632 -13.720 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.109 0.501 -15.214 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.156 -0.468 -12.849 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.086 -0.943 -15.675 1.00 0.00 C ATOM 0 H ILE A 23 1.565 3.111 -14.095 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.033 2.044 -13.165 1.00 0.00 H new ATOM 0 HB ILE A 23 1.551 0.516 -13.656 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.805 1.062 -15.409 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.898 0.960 -15.810 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.138 -1.446 -13.231 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.191 -0.360 -11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.242 -0.380 -12.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.337 -0.956 -16.736 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.834 -1.504 -15.513 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.895 -1.401 -15.105 1.00 0.00 H new ATOM 343 N LEU A 24 -0.358 2.361 -10.793 1.00 0.00 N ATOM 344 CA LEU A 24 -0.011 2.488 -9.382 1.00 0.00 C ATOM 345 C LEU A 24 0.006 1.077 -8.818 1.00 0.00 C ATOM 346 O LEU A 24 -1.047 0.472 -8.655 1.00 0.00 O ATOM 347 CB LEU A 24 -1.019 3.388 -8.658 1.00 0.00 C ATOM 348 CG LEU A 24 -0.692 3.695 -7.184 1.00 0.00 C ATOM 349 CD1 LEU A 24 -0.796 2.506 -6.229 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.655 4.410 -7.027 1.00 0.00 C ATOM 0 H LEU A 24 -1.362 2.368 -10.972 1.00 0.00 H new ATOM 0 HA LEU A 24 0.962 2.960 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.093 4.331 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.000 2.916 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.488 4.374 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.546 2.828 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.813 2.115 -6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.103 1.726 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.842 4.606 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.450 3.780 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.632 5.354 -7.572 1.00 0.00 H new ATOM 362 N VAL A 25 1.192 0.552 -8.533 1.00 0.00 N ATOM 363 CA VAL A 25 1.383 -0.797 -8.024 1.00 0.00 C ATOM 364 C VAL A 25 1.498 -0.749 -6.501 1.00 0.00 C ATOM 365 O VAL A 25 2.512 -0.297 -5.975 1.00 0.00 O ATOM 366 CB VAL A 25 2.635 -1.415 -8.661 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.872 -2.835 -8.138 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.516 -1.467 -10.189 1.00 0.00 C ATOM 0 H VAL A 25 2.065 1.065 -8.653 1.00 0.00 H new ATOM 0 HA VAL A 25 0.529 -1.422 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 25 3.477 -0.779 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.765 -3.250 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.008 -2.807 -7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.012 -3.460 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.419 -1.910 -10.609 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.652 -2.071 -10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.392 -0.457 -10.579 1.00 0.00 H new ATOM 378 N ASP A 26 0.465 -1.222 -5.800 1.00 0.00 N ATOM 379 CA ASP A 26 0.405 -1.269 -4.347 1.00 0.00 C ATOM 380 C ASP A 26 0.805 -2.664 -3.864 1.00 0.00 C ATOM 381 O ASP A 26 -0.007 -3.588 -3.932 1.00 0.00 O ATOM 382 CB ASP A 26 -1.018 -0.913 -3.901 1.00 0.00 C ATOM 383 CG ASP A 26 -1.249 -1.162 -2.418 1.00 0.00 C ATOM 384 OD1 ASP A 26 -1.253 -0.234 -1.624 1.00 0.00 O ATOM 385 OD2 ASP A 26 -1.490 -2.437 -2.014 1.00 0.00 O ATOM 0 H ASP A 26 -0.374 -1.592 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 26 1.099 -0.550 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.212 0.136 -4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.733 -1.499 -4.479 1.00 0.00 H new ATOM 391 N PHE A 27 2.008 -2.817 -3.317 1.00 0.00 N ATOM 392 CA PHE A 27 2.469 -4.086 -2.768 1.00 0.00 C ATOM 393 C PHE A 27 1.826 -4.223 -1.381 1.00 0.00 C ATOM 394 O PHE A 27 1.940 -3.291 -0.584 1.00 0.00 O ATOM 395 CB PHE A 27 4.006 -4.113 -2.692 1.00 0.00 C ATOM 396 CG PHE A 27 4.759 -4.090 -4.019 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.709 -2.957 -4.856 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.629 -5.149 -4.357 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.450 -2.919 -6.049 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.400 -5.089 -5.533 1.00 0.00 C ATOM 401 CZ PHE A 27 6.289 -3.989 -6.395 1.00 0.00 C ATOM 0 H PHE A 27 2.691 -2.063 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 27 2.180 -4.925 -3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.332 -3.257 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.304 -5.009 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.097 -2.112 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.703 -6.010 -3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.373 -2.063 -6.703 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.080 -5.893 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.846 -3.965 -7.320 1.00 0.00 H new ATOM 411 N TRP A 28 1.130 -5.338 -1.107 1.00 0.00 N ATOM 412 CA TRP A 28 0.397 -5.568 0.140 1.00 0.00 C ATOM 413 C TRP A 28 0.502 -7.011 0.632 1.00 0.00 C ATOM 414 O TRP A 28 1.003 -7.886 -0.076 1.00 0.00 O ATOM 415 CB TRP A 28 -1.090 -5.241 -0.070 1.00 0.00 C ATOM 416 CG TRP A 28 -1.853 -6.170 -0.966 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.777 -6.206 -2.311 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.800 -7.216 -0.596 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.580 -7.214 -2.800 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.239 -7.873 -1.784 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.347 -7.668 0.623 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.159 -8.931 -1.762 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.266 -8.733 0.659 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.670 -9.367 -0.529 1.00 0.00 C ATOM 0 H TRP A 28 1.062 -6.118 -1.761 1.00 0.00 H new ATOM 0 HA TRP A 28 0.847 -4.920 0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.578 -5.227 0.904 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.165 -4.233 -0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.176 -5.543 -2.916 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.675 -7.444 -3.789 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.055 -7.188 1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.470 -9.404 -2.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.664 -9.066 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.372 -10.187 -0.493 1.00 0.00 H new ATOM 435 N ALA A 29 -0.040 -7.252 1.833 1.00 0.00 N ATOM 436 CA ALA A 29 -0.159 -8.553 2.471 1.00 0.00 C ATOM 437 C ALA A 29 -1.400 -8.537 3.360 1.00 0.00 C ATOM 438 O ALA A 29 -1.832 -7.466 3.782 1.00 0.00 O ATOM 439 CB ALA A 29 1.073 -8.863 3.319 1.00 0.00 C ATOM 0 H ALA A 29 -0.424 -6.502 2.408 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.242 -9.324 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.957 -9.842 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.960 -8.865 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.182 -8.104 4.093 1.00 0.00 H new ATOM 445 N GLU A 30 -1.962 -9.711 3.658 1.00 0.00 N ATOM 446 CA GLU A 30 -3.172 -9.830 4.466 1.00 0.00 C ATOM 447 C GLU A 30 -2.929 -9.307 5.884 1.00 0.00 C ATOM 448 O GLU A 30 -3.713 -8.530 6.418 1.00 0.00 O ATOM 449 CB GLU A 30 -3.682 -11.282 4.519 1.00 0.00 C ATOM 450 CG GLU A 30 -3.731 -12.007 3.161 1.00 0.00 C ATOM 451 CD GLU A 30 -2.383 -12.560 2.701 1.00 0.00 C ATOM 452 OE1 GLU A 30 -1.427 -12.484 3.504 1.00 0.00 O ATOM 453 OE2 GLU A 30 -2.317 -13.009 1.537 1.00 0.00 O ATOM 0 H GLU A 30 -1.588 -10.606 3.344 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.940 -9.222 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.043 -11.851 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.683 -11.284 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.446 -12.827 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.105 -11.316 2.406 1.00 0.00 H new ATOM 460 N TRP A 31 -1.834 -9.764 6.490 1.00 0.00 N ATOM 461 CA TRP A 31 -1.442 -9.405 7.846 1.00 0.00 C ATOM 462 C TRP A 31 -1.083 -7.921 7.981 1.00 0.00 C ATOM 463 O TRP A 31 -1.108 -7.376 9.085 1.00 0.00 O ATOM 464 CB TRP A 31 -0.278 -10.305 8.282 1.00 0.00 C ATOM 465 CG TRP A 31 0.868 -10.401 7.318 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.039 -11.386 6.409 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.989 -9.483 7.127 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.169 -11.137 5.662 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.798 -9.976 6.059 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.400 -8.278 7.737 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.946 -9.304 5.613 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.558 -7.603 7.306 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.335 -8.117 6.255 1.00 0.00 C ATOM 0 H TRP A 31 -1.183 -10.407 6.040 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.295 -9.564 8.505 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.103 -9.938 9.235 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.665 -11.309 8.458 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.388 -12.239 6.287 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.500 -11.738 4.907 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.817 -7.867 8.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.523 -9.694 4.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.851 -6.682 7.788 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.230 -7.600 5.941 1.00 0.00 H new ATOM 484 N CYS A 32 -0.750 -7.246 6.877 1.00 0.00 N ATOM 485 CA CYS A 32 -0.369 -5.843 6.923 1.00 0.00 C ATOM 486 C CYS A 32 -1.615 -4.964 7.023 1.00 0.00 C ATOM 487 O CYS A 32 -2.043 -4.349 6.049 1.00 0.00 O ATOM 488 CB CYS A 32 0.480 -5.492 5.705 1.00 0.00 C ATOM 489 SG CYS A 32 0.990 -3.763 5.853 1.00 0.00 S ATOM 0 H CYS A 32 -0.738 -7.655 5.942 1.00 0.00 H new ATOM 0 HA CYS A 32 0.236 -5.658 7.811 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.353 -6.143 5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.089 -5.643 4.788 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.059 -3.014 6.025 1.00 0.00 H new ATOM 495 N GLY A 33 -2.201 -4.930 8.225 1.00 0.00 N ATOM 496 CA GLY A 33 -3.399 -4.176 8.587 1.00 0.00 C ATOM 497 C GLY A 33 -3.658 -2.931 7.726 1.00 0.00 C ATOM 498 O GLY A 33 -4.676 -2.893 7.036 1.00 0.00 O ATOM 0 H GLY A 33 -1.828 -5.459 9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.263 -4.837 8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.318 -3.869 9.630 1.00 0.00 H new ATOM 502 N PRO A 34 -2.765 -1.923 7.742 1.00 0.00 N ATOM 503 CA PRO A 34 -2.894 -0.690 6.971 1.00 0.00 C ATOM 504 C PRO A 34 -3.355 -0.881 5.521 1.00 0.00 C ATOM 505 O PRO A 34 -4.122 -0.063 5.011 1.00 0.00 O ATOM 506 CB PRO A 34 -1.523 -0.019 7.049 1.00 0.00 C ATOM 507 CG PRO A 34 -1.028 -0.451 8.429 1.00 0.00 C ATOM 508 CD PRO A 34 -1.541 -1.888 8.529 1.00 0.00 C ATOM 0 HA PRO A 34 -3.688 -0.076 7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.859 -0.358 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.595 1.065 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.058 -0.402 8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.431 0.180 9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.806 -2.594 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.734 -2.164 9.566 1.00 0.00 H new ATOM 516 N CYS A 35 -2.929 -1.961 4.857 1.00 0.00 N ATOM 517 CA CYS A 35 -3.342 -2.274 3.492 1.00 0.00 C ATOM 518 C CYS A 35 -4.868 -2.265 3.387 1.00 0.00 C ATOM 519 O CYS A 35 -5.428 -1.746 2.424 1.00 0.00 O ATOM 520 CB CYS A 35 -2.795 -3.642 3.061 1.00 0.00 C ATOM 521 SG CYS A 35 -0.990 -3.587 2.926 1.00 0.00 S ATOM 0 H CYS A 35 -2.285 -2.643 5.257 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.935 -1.512 2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.089 -4.402 3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.229 -3.929 2.103 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.465 -3.620 4.115 1.00 0.00 H new ATOM 527 N LYS A 36 -5.546 -2.810 4.402 1.00 0.00 N ATOM 528 CA LYS A 36 -6.998 -2.862 4.465 1.00 0.00 C ATOM 529 C LYS A 36 -7.598 -1.464 4.617 1.00 0.00 C ATOM 530 O LYS A 36 -8.700 -1.219 4.134 1.00 0.00 O ATOM 531 CB LYS A 36 -7.454 -3.760 5.622 1.00 0.00 C ATOM 532 CG LYS A 36 -6.787 -5.142 5.604 1.00 0.00 C ATOM 533 CD LYS A 36 -7.409 -6.029 6.687 1.00 0.00 C ATOM 534 CE LYS A 36 -6.597 -7.319 6.838 1.00 0.00 C ATOM 535 NZ LYS A 36 -7.213 -8.237 7.810 1.00 0.00 N ATOM 0 H LYS A 36 -5.089 -3.231 5.211 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.356 -3.285 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.231 -3.267 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.536 -3.884 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.913 -5.604 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.715 -5.041 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.436 -5.493 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.440 -6.267 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.516 -7.814 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.584 -7.076 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.637 -9.099 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.267 -7.773 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.171 -8.488 7.492 1.00 0.00 H new ATOM 549 N MET A 37 -6.884 -0.543 5.274 1.00 0.00 N ATOM 550 CA MET A 37 -7.351 0.821 5.467 1.00 0.00 C ATOM 551 C MET A 37 -7.229 1.583 4.149 1.00 0.00 C ATOM 552 O MET A 37 -8.165 2.274 3.750 1.00 0.00 O ATOM 553 CB MET A 37 -6.592 1.526 6.600 1.00 0.00 C ATOM 554 CG MET A 37 -6.973 1.017 7.997 1.00 0.00 C ATOM 555 SD MET A 37 -6.477 -0.673 8.417 1.00 0.00 S ATOM 556 CE MET A 37 -7.086 -0.772 10.113 1.00 0.00 C ATOM 0 H MET A 37 -5.969 -0.729 5.684 1.00 0.00 H new ATOM 0 HA MET A 37 -8.398 0.797 5.768 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.521 1.388 6.451 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.786 2.597 6.546 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.537 1.691 8.734 1.00 0.00 H new ATOM 0 HG3 MET A 37 -8.056 1.088 8.100 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.861 -1.756 10.524 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.601 -0.006 10.719 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.164 -0.613 10.122 1.00 0.00 H new ATOM 566 N ILE A 38 -6.088 1.465 3.459 1.00 0.00 N ATOM 567 CA ILE A 38 -5.925 2.158 2.184 1.00 0.00 C ATOM 568 C ILE A 38 -6.734 1.502 1.059 1.00 0.00 C ATOM 569 O ILE A 38 -7.132 2.203 0.135 1.00 0.00 O ATOM 570 CB ILE A 38 -4.454 2.382 1.800 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.694 1.061 1.663 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.759 3.315 2.801 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.388 1.235 0.894 1.00 0.00 C ATOM 0 H ILE A 38 -5.285 0.910 3.755 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.343 3.154 2.330 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.445 2.865 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.481 0.660 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.322 0.332 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.719 3.456 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.267 4.279 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.796 2.873 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.879 0.274 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.602 1.611 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.748 1.944 1.419 1.00 0.00 H new ATOM 585 N ALA A 39 -6.981 0.185 1.103 1.00 0.00 N ATOM 586 CA ALA A 39 -7.749 -0.533 0.082 1.00 0.00 C ATOM 587 C ALA A 39 -8.968 0.248 -0.453 1.00 0.00 C ATOM 588 O ALA A 39 -8.994 0.540 -1.649 1.00 0.00 O ATOM 589 CB ALA A 39 -8.117 -1.940 0.566 1.00 0.00 C ATOM 0 H ALA A 39 -6.649 -0.416 1.857 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.092 -0.634 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.687 -2.454 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.207 -2.501 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.719 -1.867 1.472 1.00 0.00 H new ATOM 595 N PRO A 40 -9.966 0.618 0.373 1.00 0.00 N ATOM 596 CA PRO A 40 -11.117 1.385 -0.088 1.00 0.00 C ATOM 597 C PRO A 40 -10.693 2.698 -0.749 1.00 0.00 C ATOM 598 O PRO A 40 -11.237 3.061 -1.789 1.00 0.00 O ATOM 599 CB PRO A 40 -12.007 1.615 1.138 1.00 0.00 C ATOM 600 CG PRO A 40 -11.057 1.421 2.317 1.00 0.00 C ATOM 601 CD PRO A 40 -10.087 0.365 1.797 1.00 0.00 C ATOM 0 HA PRO A 40 -11.664 0.842 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.442 2.614 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.835 0.907 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.545 2.346 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.583 1.083 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.120 0.442 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.463 -0.640 1.987 1.00 0.00 H new ATOM 609 N ILE A 41 -9.698 3.394 -0.187 1.00 0.00 N ATOM 610 CA ILE A 41 -9.187 4.628 -0.773 1.00 0.00 C ATOM 611 C ILE A 41 -8.720 4.314 -2.197 1.00 0.00 C ATOM 612 O ILE A 41 -9.144 4.958 -3.150 1.00 0.00 O ATOM 613 CB ILE A 41 -8.056 5.254 0.071 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.419 5.312 1.566 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.758 6.667 -0.453 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.302 5.936 2.405 1.00 0.00 C ATOM 0 H ILE A 41 -9.232 3.118 0.677 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.981 5.374 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.172 4.624 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.334 5.890 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.624 4.305 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.960 7.114 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.447 6.610 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.655 7.281 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.602 5.956 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.393 5.344 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.114 6.953 2.062 1.00 0.00 H new ATOM 628 N LEU A 42 -7.871 3.295 -2.348 1.00 0.00 N ATOM 629 CA LEU A 42 -7.371 2.859 -3.640 1.00 0.00 C ATOM 630 C LEU A 42 -8.527 2.485 -4.579 1.00 0.00 C ATOM 631 O LEU A 42 -8.481 2.836 -5.754 1.00 0.00 O ATOM 632 CB LEU A 42 -6.341 1.732 -3.463 1.00 0.00 C ATOM 633 CG LEU A 42 -4.975 2.241 -2.970 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.151 1.044 -2.490 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.182 2.949 -4.077 1.00 0.00 C ATOM 0 H LEU A 42 -7.512 2.749 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.849 3.686 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.728 1.001 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.209 1.215 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.159 2.958 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.179 1.389 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.676 0.544 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.010 0.345 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.226 3.289 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.006 2.255 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.750 3.806 -4.440 1.00 0.00 H new ATOM 647 N ASP A 43 -9.573 1.814 -4.087 1.00 0.00 N ATOM 648 CA ASP A 43 -10.734 1.478 -4.914 1.00 0.00 C ATOM 649 C ASP A 43 -11.414 2.757 -5.420 1.00 0.00 C ATOM 650 O ASP A 43 -11.714 2.885 -6.608 1.00 0.00 O ATOM 651 CB ASP A 43 -11.741 0.613 -4.143 1.00 0.00 C ATOM 652 CG ASP A 43 -11.214 -0.778 -3.805 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.853 -1.495 -4.762 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.210 -1.115 -2.600 1.00 0.00 O ATOM 0 H ASP A 43 -9.639 1.493 -3.121 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.379 0.900 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.015 1.124 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.651 0.514 -4.735 1.00 0.00 H new ATOM 659 N GLU A 44 -11.653 3.715 -4.519 1.00 0.00 N ATOM 660 CA GLU A 44 -12.270 4.990 -4.865 1.00 0.00 C ATOM 661 C GLU A 44 -11.417 5.679 -5.933 1.00 0.00 C ATOM 662 O GLU A 44 -11.916 6.045 -6.994 1.00 0.00 O ATOM 663 CB GLU A 44 -12.411 5.863 -3.613 1.00 0.00 C ATOM 664 CG GLU A 44 -13.399 5.270 -2.596 1.00 0.00 C ATOM 665 CD GLU A 44 -13.130 5.768 -1.177 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.750 6.953 -1.048 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.308 4.956 -0.243 1.00 0.00 O ATOM 0 H GLU A 44 -11.422 3.624 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.270 4.826 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.435 5.979 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.746 6.859 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.417 5.532 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.331 4.182 -2.617 1.00 0.00 H new ATOM 674 N ILE A 45 -10.119 5.815 -5.657 1.00 0.00 N ATOM 675 CA ILE A 45 -9.150 6.402 -6.569 1.00 0.00 C ATOM 676 C ILE A 45 -9.229 5.697 -7.925 1.00 0.00 C ATOM 677 O ILE A 45 -9.287 6.365 -8.954 1.00 0.00 O ATOM 678 CB ILE A 45 -7.744 6.328 -5.947 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.602 7.228 -4.703 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.629 6.631 -6.954 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.510 8.729 -4.983 1.00 0.00 C ATOM 0 H ILE A 45 -9.709 5.512 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.376 7.455 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.627 5.292 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.455 7.050 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.710 6.923 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.661 6.563 -6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.669 5.909 -7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.762 7.637 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.413 9.269 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.640 8.930 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.412 9.059 -5.499 1.00 0.00 H new ATOM 693 N ALA A 46 -9.243 4.360 -7.942 1.00 0.00 N ATOM 694 CA ALA A 46 -9.338 3.587 -9.172 1.00 0.00 C ATOM 695 C ALA A 46 -10.522 4.067 -10.002 1.00 0.00 C ATOM 696 O ALA A 46 -10.370 4.348 -11.187 1.00 0.00 O ATOM 697 CB ALA A 46 -9.473 2.093 -8.866 1.00 0.00 C ATOM 0 H ALA A 46 -9.188 3.788 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.422 3.736 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.542 1.535 -9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.601 1.756 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.372 1.923 -8.274 1.00 0.00 H new ATOM 703 N ASP A 47 -11.694 4.175 -9.371 1.00 0.00 N ATOM 704 CA ASP A 47 -12.892 4.643 -10.051 1.00 0.00 C ATOM 705 C ASP A 47 -12.712 6.081 -10.550 1.00 0.00 C ATOM 706 O ASP A 47 -12.908 6.366 -11.732 1.00 0.00 O ATOM 707 CB ASP A 47 -14.109 4.514 -9.130 1.00 0.00 C ATOM 708 CG ASP A 47 -15.385 4.893 -9.873 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.973 3.980 -10.492 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.740 6.089 -9.819 1.00 0.00 O ATOM 0 H ASP A 47 -11.833 3.943 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.064 4.016 -10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.186 3.491 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.983 5.158 -8.260 1.00 0.00 H new ATOM 715 N GLU A 48 -12.343 6.989 -9.645 1.00 0.00 N ATOM 716 CA GLU A 48 -12.163 8.404 -9.944 1.00 0.00 C ATOM 717 C GLU A 48 -11.212 8.633 -11.125 1.00 0.00 C ATOM 718 O GLU A 48 -11.507 9.432 -12.010 1.00 0.00 O ATOM 719 CB GLU A 48 -11.648 9.125 -8.695 1.00 0.00 C ATOM 720 CG GLU A 48 -12.696 9.181 -7.576 1.00 0.00 C ATOM 721 CD GLU A 48 -12.070 9.693 -6.285 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.986 10.932 -6.140 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.670 8.841 -5.462 1.00 0.00 O ATOM 0 H GLU A 48 -12.159 6.755 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.131 8.812 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.756 8.617 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.351 10.139 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.518 9.832 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.118 8.189 -7.414 1.00 0.00 H new ATOM 730 N TYR A 49 -10.065 7.952 -11.129 1.00 0.00 N ATOM 731 CA TYR A 49 -9.033 8.102 -12.146 1.00 0.00 C ATOM 732 C TYR A 49 -9.166 7.064 -13.272 1.00 0.00 C ATOM 733 O TYR A 49 -8.170 6.747 -13.927 1.00 0.00 O ATOM 734 CB TYR A 49 -7.649 8.062 -11.473 1.00 0.00 C ATOM 735 CG TYR A 49 -7.298 9.270 -10.618 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.809 9.386 -9.314 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.376 10.229 -11.086 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.366 10.414 -8.466 1.00 0.00 C ATOM 739 CE2 TYR A 49 -5.897 11.232 -10.221 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.382 11.314 -8.904 1.00 0.00 C ATOM 741 OH TYR A 49 -5.915 12.261 -8.041 1.00 0.00 O ATOM 0 H TYR A 49 -9.827 7.269 -10.410 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.158 9.070 -12.631 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.594 7.170 -10.849 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.891 7.956 -12.249 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.547 8.680 -8.962 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.036 10.194 -12.111 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.783 10.512 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.157 11.938 -10.569 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.237 12.808 -8.491 1.00 0.00 H new ATOM 751 N GLN A 50 -10.372 6.550 -13.547 1.00 0.00 N ATOM 752 CA GLN A 50 -10.572 5.616 -14.651 1.00 0.00 C ATOM 753 C GLN A 50 -10.046 6.232 -15.951 1.00 0.00 C ATOM 754 O GLN A 50 -10.369 7.371 -16.281 1.00 0.00 O ATOM 755 CB GLN A 50 -12.059 5.262 -14.795 1.00 0.00 C ATOM 756 CG GLN A 50 -12.414 4.049 -13.931 1.00 0.00 C ATOM 757 CD GLN A 50 -13.918 3.824 -13.832 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.438 2.821 -14.311 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.627 4.743 -13.188 1.00 0.00 N ATOM 0 H GLN A 50 -11.218 6.767 -13.020 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.021 4.700 -14.441 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.671 6.115 -14.502 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.288 5.050 -15.839 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.943 3.159 -14.349 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.004 4.187 -12.931 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.164 5.566 -12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.635 4.626 -13.080 1.00 0.00 H new ATOM 768 N GLY A 51 -9.201 5.491 -16.673 1.00 0.00 N ATOM 769 CA GLY A 51 -8.602 5.954 -17.917 1.00 0.00 C ATOM 770 C GLY A 51 -7.388 6.863 -17.695 1.00 0.00 C ATOM 771 O GLY A 51 -6.629 7.090 -18.633 1.00 0.00 O ATOM 0 H GLY A 51 -8.915 4.549 -16.405 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.300 5.092 -18.511 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.352 6.493 -18.496 1.00 0.00 H new ATOM 775 N LYS A 52 -7.188 7.374 -16.476 1.00 0.00 N ATOM 776 CA LYS A 52 -6.072 8.243 -16.131 1.00 0.00 C ATOM 777 C LYS A 52 -4.982 7.435 -15.430 1.00 0.00 C ATOM 778 O LYS A 52 -3.800 7.617 -15.716 1.00 0.00 O ATOM 779 CB LYS A 52 -6.549 9.382 -15.218 1.00 0.00 C ATOM 780 CG LYS A 52 -7.798 10.119 -15.715 1.00 0.00 C ATOM 781 CD LYS A 52 -7.569 10.783 -17.077 1.00 0.00 C ATOM 782 CE LYS A 52 -8.778 11.655 -17.421 1.00 0.00 C ATOM 783 NZ LYS A 52 -8.621 12.297 -18.738 1.00 0.00 N ATOM 0 H LYS A 52 -7.812 7.188 -15.691 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.665 8.674 -17.046 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.754 8.975 -14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.739 10.103 -15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.628 9.416 -15.789 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.086 10.877 -14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.664 11.389 -17.052 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.423 10.024 -17.845 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.681 11.045 -17.417 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.907 12.420 -16.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.457 12.881 -18.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.772 12.898 -18.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.523 11.566 -19.471 1.00 0.00 H new ATOM 797 N LEU A 53 -5.375 6.566 -14.491 1.00 0.00 N ATOM 798 CA LEU A 53 -4.450 5.776 -13.693 1.00 0.00 C ATOM 799 C LEU A 53 -4.976 4.356 -13.519 1.00 0.00 C ATOM 800 O LEU A 53 -6.128 4.163 -13.137 1.00 0.00 O ATOM 801 CB LEU A 53 -4.320 6.442 -12.319 1.00 0.00 C ATOM 802 CG LEU A 53 -3.317 5.765 -11.378 1.00 0.00 C ATOM 803 CD1 LEU A 53 -1.872 6.060 -11.798 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.568 6.292 -9.965 1.00 0.00 C ATOM 0 H LEU A 53 -6.355 6.395 -14.267 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.482 5.726 -14.192 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.023 7.481 -12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.299 6.452 -11.840 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.454 4.684 -11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.185 5.566 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.704 5.688 -12.809 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.698 7.136 -11.773 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.867 5.826 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.429 7.373 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.588 6.053 -9.663 1.00 0.00 H new ATOM 816 N THR A 54 -4.116 3.362 -13.746 1.00 0.00 N ATOM 817 CA THR A 54 -4.455 1.967 -13.521 1.00 0.00 C ATOM 818 C THR A 54 -4.038 1.625 -12.090 1.00 0.00 C ATOM 819 O THR A 54 -2.853 1.441 -11.814 1.00 0.00 O ATOM 820 CB THR A 54 -3.728 1.101 -14.557 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.065 1.540 -15.857 1.00 0.00 O ATOM 822 CG2 THR A 54 -4.063 -0.386 -14.428 1.00 0.00 C ATOM 0 H THR A 54 -3.167 3.507 -14.091 1.00 0.00 H new ATOM 0 HA THR A 54 -5.523 1.780 -13.636 1.00 0.00 H new ATOM 0 HB THR A 54 -2.659 1.212 -14.373 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.599 0.988 -16.520 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.519 -0.949 -15.187 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.774 -0.739 -13.438 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.134 -0.531 -14.567 1.00 0.00 H new ATOM 830 N VAL A 55 -4.990 1.544 -11.161 1.00 0.00 N ATOM 831 CA VAL A 55 -4.663 1.183 -9.790 1.00 0.00 C ATOM 832 C VAL A 55 -4.505 -0.336 -9.739 1.00 0.00 C ATOM 833 O VAL A 55 -5.346 -1.074 -10.256 1.00 0.00 O ATOM 834 CB VAL A 55 -5.730 1.703 -8.819 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.381 1.319 -7.377 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.807 3.233 -8.890 1.00 0.00 C ATOM 0 H VAL A 55 -5.980 1.722 -11.333 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.729 1.648 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.683 1.258 -9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.150 1.697 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.326 0.234 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.418 1.753 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.568 3.592 -8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.841 3.659 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.068 3.538 -9.904 1.00 0.00 H new ATOM 846 N ALA A 56 -3.409 -0.809 -9.146 1.00 0.00 N ATOM 847 CA ALA A 56 -3.088 -2.220 -9.078 1.00 0.00 C ATOM 848 C ALA A 56 -2.610 -2.601 -7.681 1.00 0.00 C ATOM 849 O ALA A 56 -2.042 -1.777 -6.965 1.00 0.00 O ATOM 850 CB ALA A 56 -2.036 -2.535 -10.139 1.00 0.00 C ATOM 0 H ALA A 56 -2.716 -0.210 -8.697 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.981 -2.812 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.785 -3.595 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.431 -2.293 -11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.141 -1.943 -9.951 1.00 0.00 H new ATOM 856 N LYS A 57 -2.830 -3.858 -7.298 1.00 0.00 N ATOM 857 CA LYS A 57 -2.425 -4.421 -6.022 1.00 0.00 C ATOM 858 C LYS A 57 -1.620 -5.688 -6.274 1.00 0.00 C ATOM 859 O LYS A 57 -1.966 -6.469 -7.155 1.00 0.00 O ATOM 860 CB LYS A 57 -3.651 -4.727 -5.151 1.00 0.00 C ATOM 861 CG LYS A 57 -4.024 -3.523 -4.279 1.00 0.00 C ATOM 862 CD LYS A 57 -5.203 -3.852 -3.354 1.00 0.00 C ATOM 863 CE LYS A 57 -5.467 -2.719 -2.354 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.413 -2.624 -1.325 1.00 0.00 N ATOM 0 H LYS A 57 -3.313 -4.532 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.809 -3.698 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.495 -4.994 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.444 -5.589 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.163 -3.222 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.282 -2.676 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.098 -4.027 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.996 -4.775 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.535 -1.772 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.430 -2.881 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.651 -1.867 -0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.341 -3.529 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.503 -2.409 -1.779 1.00 0.00 H new ATOM 878 N LEU A 58 -0.552 -5.894 -5.500 1.00 0.00 N ATOM 879 CA LEU A 58 0.309 -7.057 -5.612 1.00 0.00 C ATOM 880 C LEU A 58 0.464 -7.718 -4.243 1.00 0.00 C ATOM 881 O LEU A 58 1.001 -7.115 -3.316 1.00 0.00 O ATOM 882 CB LEU A 58 1.638 -6.624 -6.230 1.00 0.00 C ATOM 883 CG LEU A 58 2.521 -7.839 -6.560 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.343 -7.508 -7.800 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.480 -8.200 -5.419 1.00 0.00 C ATOM 0 H LEU A 58 -0.263 -5.244 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.127 -7.810 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.450 -6.051 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.165 -5.965 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 58 1.866 -8.695 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.978 -8.357 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.674 -7.294 -8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.966 -6.636 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.079 -9.064 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.138 -7.355 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.906 -8.438 -4.523 1.00 0.00 H new ATOM 897 N ASN A 59 -0.022 -8.955 -4.112 1.00 0.00 N ATOM 898 CA ASN A 59 0.053 -9.710 -2.868 1.00 0.00 C ATOM 899 C ASN A 59 1.458 -10.297 -2.723 1.00 0.00 C ATOM 900 O ASN A 59 1.804 -11.237 -3.446 1.00 0.00 O ATOM 901 CB ASN A 59 -1.002 -10.816 -2.874 1.00 0.00 C ATOM 902 CG ASN A 59 -0.946 -11.615 -1.578 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.048 -12.428 -1.389 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.885 -11.384 -0.668 1.00 0.00 N ATOM 0 H ASN A 59 -0.480 -9.459 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.144 -9.055 -2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.993 -10.380 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.838 -11.479 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.872 -11.889 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.619 -10.701 -0.855 1.00 0.00 H new ATOM 911 N ILE A 60 2.271 -9.748 -1.814 1.00 0.00 N ATOM 912 CA ILE A 60 3.648 -10.198 -1.641 1.00 0.00 C ATOM 913 C ILE A 60 3.749 -11.604 -1.047 1.00 0.00 C ATOM 914 O ILE A 60 4.732 -12.290 -1.292 1.00 0.00 O ATOM 915 CB ILE A 60 4.513 -9.185 -0.869 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.163 -9.084 0.626 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.457 -7.811 -1.552 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.286 -8.426 1.433 1.00 0.00 C ATOM 0 H ILE A 60 1.995 -8.991 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 60 4.061 -10.260 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 60 5.536 -9.560 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.245 -8.509 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.968 -10.081 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.073 -7.103 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.832 -7.896 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.426 -7.457 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.998 -8.375 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.198 -9.015 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.463 -7.419 1.056 1.00 0.00 H new ATOM 930 N ASP A 61 2.759 -12.053 -0.269 1.00 0.00 N ATOM 931 CA ASP A 61 2.811 -13.387 0.328 1.00 0.00 C ATOM 932 C ASP A 61 2.900 -14.440 -0.771 1.00 0.00 C ATOM 933 O ASP A 61 3.726 -15.347 -0.715 1.00 0.00 O ATOM 934 CB ASP A 61 1.599 -13.645 1.231 1.00 0.00 C ATOM 935 CG ASP A 61 1.425 -12.531 2.250 1.00 0.00 C ATOM 936 OD1 ASP A 61 0.760 -11.542 1.873 1.00 0.00 O ATOM 937 OD2 ASP A 61 1.982 -12.665 3.362 1.00 0.00 O ATOM 0 H ASP A 61 1.921 -11.517 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 61 3.701 -13.449 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.699 -13.727 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.723 -14.597 1.747 1.00 0.00 H new ATOM 942 N GLN A 62 2.045 -14.301 -1.785 1.00 0.00 N ATOM 943 CA GLN A 62 2.038 -15.177 -2.944 1.00 0.00 C ATOM 944 C GLN A 62 3.185 -14.812 -3.891 1.00 0.00 C ATOM 945 O GLN A 62 3.689 -15.678 -4.600 1.00 0.00 O ATOM 946 CB GLN A 62 0.683 -15.068 -3.659 1.00 0.00 C ATOM 947 CG GLN A 62 -0.513 -15.482 -2.787 1.00 0.00 C ATOM 948 CD GLN A 62 -0.481 -16.954 -2.389 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.111 -17.789 -3.028 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.243 -17.289 -1.324 1.00 0.00 N ATOM 0 H GLN A 62 1.335 -13.570 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 62 2.183 -16.208 -2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.540 -14.040 -3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.703 -15.692 -4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.528 -14.868 -1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.437 -15.278 -3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.757 -16.573 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.284 -18.262 -1.020 1.00 0.00 H new ATOM 959 N ASN A 63 3.578 -13.533 -3.932 1.00 0.00 N ATOM 960 CA ASN A 63 4.601 -13.022 -4.844 1.00 0.00 C ATOM 961 C ASN A 63 5.762 -12.373 -4.087 1.00 0.00 C ATOM 962 O ASN A 63 5.946 -11.157 -4.185 1.00 0.00 O ATOM 963 CB ASN A 63 3.927 -12.018 -5.781 1.00 0.00 C ATOM 964 CG ASN A 63 2.779 -12.668 -6.533 1.00 0.00 C ATOM 965 OD1 ASN A 63 2.995 -13.335 -7.537 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.552 -12.477 -6.064 1.00 0.00 N ATOM 0 H ASN A 63 3.186 -12.815 -3.322 1.00 0.00 H new ATOM 0 HA ASN A 63 5.031 -13.846 -5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.557 -11.169 -5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.658 -11.628 -6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.753 -12.892 -6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.409 -11.915 -5.225 1.00 0.00 H new ATOM 973 N PRO A 64 6.558 -13.154 -3.339 1.00 0.00 N ATOM 974 CA PRO A 64 7.635 -12.620 -2.527 1.00 0.00 C ATOM 975 C PRO A 64 8.705 -11.918 -3.354 1.00 0.00 C ATOM 976 O PRO A 64 9.027 -10.774 -3.056 1.00 0.00 O ATOM 977 CB PRO A 64 8.184 -13.800 -1.720 1.00 0.00 C ATOM 978 CG PRO A 64 7.771 -15.029 -2.530 1.00 0.00 C ATOM 979 CD PRO A 64 6.449 -14.593 -3.161 1.00 0.00 C ATOM 0 HA PRO A 64 7.268 -11.838 -1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.267 -13.739 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.764 -13.825 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.515 -15.284 -3.285 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.646 -15.907 -1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.285 -15.095 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.606 -14.846 -2.519 1.00 0.00 H new ATOM 987 N GLY A 65 9.258 -12.593 -4.369 1.00 0.00 N ATOM 988 CA GLY A 65 10.339 -12.096 -5.224 1.00 0.00 C ATOM 989 C GLY A 65 10.222 -10.610 -5.575 1.00 0.00 C ATOM 990 O GLY A 65 11.189 -9.855 -5.478 1.00 0.00 O ATOM 0 H GLY A 65 8.954 -13.532 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.292 -12.267 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.355 -12.677 -6.146 1.00 0.00 H new ATOM 994 N THR A 66 9.027 -10.188 -5.987 1.00 0.00 N ATOM 995 CA THR A 66 8.724 -8.820 -6.357 1.00 0.00 C ATOM 996 C THR A 66 9.170 -7.799 -5.294 1.00 0.00 C ATOM 997 O THR A 66 9.597 -6.700 -5.645 1.00 0.00 O ATOM 998 CB THR A 66 7.231 -8.724 -6.730 1.00 0.00 C ATOM 999 OG1 THR A 66 6.597 -9.989 -6.608 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.101 -8.253 -8.184 1.00 0.00 C ATOM 0 H THR A 66 8.225 -10.812 -6.072 1.00 0.00 H new ATOM 0 HA THR A 66 9.310 -8.547 -7.235 1.00 0.00 H new ATOM 0 HB THR A 66 6.753 -8.017 -6.052 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.452 -10.192 -5.660 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.047 -8.184 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.568 -7.274 -8.292 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.596 -8.966 -8.843 1.00 0.00 H new ATOM 1008 N ALA A 67 9.100 -8.150 -4.005 1.00 0.00 N ATOM 1009 CA ALA A 67 9.513 -7.262 -2.925 1.00 0.00 C ATOM 1010 C ALA A 67 10.987 -6.840 -3.052 1.00 0.00 C ATOM 1011 O ALA A 67 11.235 -5.669 -3.341 1.00 0.00 O ATOM 1012 CB ALA A 67 9.123 -7.841 -1.558 1.00 0.00 C ATOM 0 H ALA A 67 8.756 -9.056 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 67 8.960 -6.327 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.442 -7.159 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.041 -7.968 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.608 -8.807 -1.420 1.00 0.00 H new ATOM 1018 N PRO A 68 11.983 -7.727 -2.866 1.00 0.00 N ATOM 1019 CA PRO A 68 13.376 -7.354 -3.033 1.00 0.00 C ATOM 1020 C PRO A 68 13.645 -6.844 -4.451 1.00 0.00 C ATOM 1021 O PRO A 68 14.410 -5.895 -4.597 1.00 0.00 O ATOM 1022 CB PRO A 68 14.208 -8.591 -2.682 1.00 0.00 C ATOM 1023 CG PRO A 68 13.236 -9.748 -2.893 1.00 0.00 C ATOM 1024 CD PRO A 68 11.894 -9.131 -2.504 1.00 0.00 C ATOM 0 HA PRO A 68 13.648 -6.528 -2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.084 -8.681 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.569 -8.553 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.238 -10.096 -3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.484 -10.605 -2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.073 -9.619 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.704 -9.248 -1.437 1.00 0.00 H new ATOM 1032 N LYS A 69 13.015 -7.422 -5.488 1.00 0.00 N ATOM 1033 CA LYS A 69 13.209 -6.947 -6.859 1.00 0.00 C ATOM 1034 C LYS A 69 13.006 -5.432 -6.967 1.00 0.00 C ATOM 1035 O LYS A 69 13.766 -4.769 -7.670 1.00 0.00 O ATOM 1036 CB LYS A 69 12.276 -7.665 -7.841 1.00 0.00 C ATOM 1037 CG LYS A 69 12.729 -9.099 -8.140 1.00 0.00 C ATOM 1038 CD LYS A 69 11.656 -9.887 -8.911 1.00 0.00 C ATOM 1039 CE LYS A 69 11.232 -9.240 -10.237 1.00 0.00 C ATOM 1040 NZ LYS A 69 12.378 -9.015 -11.134 1.00 0.00 N ATOM 0 H LYS A 69 12.374 -8.211 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 69 14.240 -7.178 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.267 -7.685 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.230 -7.100 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.651 -9.075 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.955 -9.611 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.033 -10.890 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.777 -9.998 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.502 -9.879 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.738 -8.290 -10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.041 -8.624 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.039 -8.345 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.865 -9.917 -11.308 1.00 0.00 H new ATOM 1054 N TYR A 70 11.999 -4.884 -6.275 1.00 0.00 N ATOM 1055 CA TYR A 70 11.730 -3.448 -6.281 1.00 0.00 C ATOM 1056 C TYR A 70 12.130 -2.787 -4.960 1.00 0.00 C ATOM 1057 O TYR A 70 11.687 -1.680 -4.660 1.00 0.00 O ATOM 1058 CB TYR A 70 10.273 -3.208 -6.684 1.00 0.00 C ATOM 1059 CG TYR A 70 10.052 -3.511 -8.152 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.604 -2.653 -9.123 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.541 -4.764 -8.539 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.661 -3.054 -10.468 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.617 -5.172 -9.880 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.199 -4.327 -10.838 1.00 0.00 C ATOM 1065 OH TYR A 70 10.311 -4.740 -12.130 1.00 0.00 O ATOM 0 H TYR A 70 11.353 -5.424 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 70 12.356 -2.960 -7.028 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.618 -3.834 -6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.002 -2.172 -6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.984 -1.685 -8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.090 -5.413 -7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.059 -2.384 -11.216 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.228 -6.135 -10.175 1.00 0.00 H new ATOM 0 HH TYR A 70 9.423 -4.956 -12.483 1.00 0.00 H new ATOM 1075 N GLY A 71 12.998 -3.444 -4.186 1.00 0.00 N ATOM 1076 CA GLY A 71 13.519 -2.932 -2.930 1.00 0.00 C ATOM 1077 C GLY A 71 12.424 -2.452 -1.980 1.00 0.00 C ATOM 1078 O GLY A 71 12.595 -1.428 -1.319 1.00 0.00 O ATOM 0 H GLY A 71 13.362 -4.366 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.101 -3.712 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.201 -2.107 -3.136 1.00 0.00 H new ATOM 1082 N ILE A 72 11.307 -3.183 -1.898 1.00 0.00 N ATOM 1083 CA ILE A 72 10.222 -2.838 -0.984 1.00 0.00 C ATOM 1084 C ILE A 72 10.795 -2.688 0.427 1.00 0.00 C ATOM 1085 O ILE A 72 11.389 -3.616 0.971 1.00 0.00 O ATOM 1086 CB ILE A 72 9.085 -3.877 -1.073 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.063 -3.501 -2.159 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.303 -4.038 0.240 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.675 -3.234 -3.535 1.00 0.00 C ATOM 0 H ILE A 72 11.134 -4.019 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 72 9.775 -1.884 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 72 9.588 -4.814 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.334 -4.306 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.519 -2.613 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.519 -4.783 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.981 -4.361 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.854 -3.084 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.885 -2.976 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.383 -2.408 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.194 -4.128 -3.882 1.00 0.00 H new ATOM 1101 N ARG A 73 10.623 -1.495 0.998 1.00 0.00 N ATOM 1102 CA ARG A 73 11.129 -1.150 2.313 1.00 0.00 C ATOM 1103 C ARG A 73 10.205 -1.731 3.381 1.00 0.00 C ATOM 1104 O ARG A 73 10.657 -2.347 4.342 1.00 0.00 O ATOM 1105 CB ARG A 73 11.204 0.378 2.421 1.00 0.00 C ATOM 1106 CG ARG A 73 12.134 1.037 1.393 1.00 0.00 C ATOM 1107 CD ARG A 73 13.572 0.506 1.465 1.00 0.00 C ATOM 1108 NE ARG A 73 14.517 1.439 0.834 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.705 1.602 -0.484 1.00 0.00 C ATOM 1110 NH1 ARG A 73 14.052 0.852 -1.378 1.00 0.00 N ATOM 1111 NH2 ARG A 73 15.564 2.535 -0.907 1.00 0.00 N ATOM 0 H ARG A 73 10.118 -0.733 0.546 1.00 0.00 H new ATOM 0 HA ARG A 73 12.125 -1.566 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.201 0.789 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.542 0.644 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.739 0.868 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.141 2.115 1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.853 0.349 2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.629 -0.464 0.970 1.00 0.00 H new ATOM 0 HE ARG A 73 15.082 2.016 1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.395 0.138 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.211 0.994 -2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.065 3.111 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.718 2.671 -1.906 1.00 0.00 H new ATOM 1125 N GLY A 74 8.899 -1.537 3.198 1.00 0.00 N ATOM 1126 CA GLY A 74 7.863 -2.033 4.079 1.00 0.00 C ATOM 1127 C GLY A 74 6.538 -1.786 3.374 1.00 0.00 C ATOM 1128 O GLY A 74 6.409 -0.798 2.650 1.00 0.00 O ATOM 0 H GLY A 74 8.530 -1.013 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.002 -3.095 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.892 -1.519 5.040 1.00 0.00 H new ATOM 1132 N ILE A 75 5.573 -2.686 3.556 1.00 0.00 N ATOM 1133 CA ILE A 75 4.261 -2.572 2.935 1.00 0.00 C ATOM 1134 C ILE A 75 3.308 -1.806 3.866 1.00 0.00 C ATOM 1135 O ILE A 75 3.487 -1.868 5.083 1.00 0.00 O ATOM 1136 CB ILE A 75 3.725 -3.955 2.526 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.848 -4.987 3.655 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.466 -4.450 1.275 1.00 0.00 C ATOM 1139 CD1 ILE A 75 2.965 -6.200 3.373 1.00 0.00 C ATOM 0 H ILE A 75 5.682 -3.515 4.140 1.00 0.00 H new ATOM 0 HA ILE A 75 4.342 -1.996 2.013 1.00 0.00 H new ATOM 0 HB ILE A 75 2.663 -3.843 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.887 -5.302 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.560 -4.533 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.083 -5.430 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.310 -3.746 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.532 -4.526 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.066 -6.920 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.925 -5.883 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.273 -6.664 2.436 1.00 0.00 H new ATOM 1151 N PRO A 76 2.303 -1.085 3.337 1.00 0.00 N ATOM 1152 CA PRO A 76 2.000 -0.918 1.921 1.00 0.00 C ATOM 1153 C PRO A 76 3.058 -0.060 1.224 1.00 0.00 C ATOM 1154 O PRO A 76 3.504 0.945 1.776 1.00 0.00 O ATOM 1155 CB PRO A 76 0.636 -0.224 1.874 1.00 0.00 C ATOM 1156 CG PRO A 76 0.594 0.561 3.183 1.00 0.00 C ATOM 1157 CD PRO A 76 1.349 -0.351 4.147 1.00 0.00 C ATOM 0 HA PRO A 76 1.991 -1.877 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.549 0.433 1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.180 -0.944 1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.075 1.535 3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.429 0.742 3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.856 0.230 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.666 -1.030 4.658 1.00 0.00 H new ATOM 1165 N THR A 77 3.456 -0.465 0.014 1.00 0.00 N ATOM 1166 CA THR A 77 4.427 0.259 -0.799 1.00 0.00 C ATOM 1167 C THR A 77 3.749 0.552 -2.129 1.00 0.00 C ATOM 1168 O THR A 77 3.345 -0.389 -2.811 1.00 0.00 O ATOM 1169 CB THR A 77 5.703 -0.570 -1.022 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.955 -1.441 0.059 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.910 0.355 -1.197 1.00 0.00 C ATOM 0 H THR A 77 3.107 -1.314 -0.430 1.00 0.00 H new ATOM 0 HA THR A 77 4.733 1.176 -0.296 1.00 0.00 H new ATOM 0 HB THR A 77 5.548 -1.164 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.067 -0.919 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.807 -0.244 -1.354 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.750 1.003 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.033 0.966 -0.303 1.00 0.00 H new ATOM 1179 N LEU A 78 3.614 1.827 -2.497 1.00 0.00 N ATOM 1180 CA LEU A 78 2.993 2.229 -3.747 1.00 0.00 C ATOM 1181 C LEU A 78 4.113 2.622 -4.702 1.00 0.00 C ATOM 1182 O LEU A 78 4.849 3.564 -4.418 1.00 0.00 O ATOM 1183 CB LEU A 78 1.994 3.387 -3.559 1.00 0.00 C ATOM 1184 CG LEU A 78 1.242 3.416 -2.220 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.272 4.601 -2.204 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.429 2.143 -1.985 1.00 0.00 C ATOM 0 H LEU A 78 3.936 2.610 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 78 2.411 1.400 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.533 4.328 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.261 3.342 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 78 1.992 3.502 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.262 4.622 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.830 5.529 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.443 4.497 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.084 2.211 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.305 2.028 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.096 1.281 -1.979 1.00 0.00 H new ATOM 1198 N LEU A 79 4.262 1.914 -5.819 1.00 0.00 N ATOM 1199 CA LEU A 79 5.244 2.206 -6.854 1.00 0.00 C ATOM 1200 C LEU A 79 4.429 2.702 -8.042 1.00 0.00 C ATOM 1201 O LEU A 79 3.616 1.950 -8.578 1.00 0.00 O ATOM 1202 CB LEU A 79 5.999 0.933 -7.264 1.00 0.00 C ATOM 1203 CG LEU A 79 7.090 0.378 -6.331 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.390 1.176 -6.438 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.654 0.274 -4.868 1.00 0.00 C ATOM 0 H LEU A 79 3.686 1.100 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 79 5.982 2.930 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.260 0.145 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.460 1.122 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 79 7.269 -0.639 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.134 0.752 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.761 1.131 -7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.203 2.215 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.474 -0.125 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.383 1.263 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.793 -0.390 -4.791 1.00 0.00 H new ATOM 1217 N LEU A 80 4.620 3.953 -8.457 1.00 0.00 N ATOM 1218 CA LEU A 80 3.890 4.510 -9.581 1.00 0.00 C ATOM 1219 C LEU A 80 4.727 4.278 -10.832 1.00 0.00 C ATOM 1220 O LEU A 80 5.698 4.990 -11.075 1.00 0.00 O ATOM 1221 CB LEU A 80 3.576 5.975 -9.291 1.00 0.00 C ATOM 1222 CG LEU A 80 2.771 6.696 -10.389 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.818 5.805 -11.201 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.904 7.749 -9.699 1.00 0.00 C ATOM 0 H LEU A 80 5.280 4.599 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 80 2.926 4.028 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.020 6.034 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.514 6.509 -9.139 1.00 0.00 H new ATOM 0 HG LEU A 80 3.505 7.092 -11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.301 6.410 -11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.389 5.023 -11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.087 5.350 -10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.317 8.283 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.234 7.261 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.542 8.454 -9.167 1.00 0.00 H new ATOM 1236 N PHE A 81 4.352 3.261 -11.607 1.00 0.00 N ATOM 1237 CA PHE A 81 5.028 2.844 -12.821 1.00 0.00 C ATOM 1238 C PHE A 81 4.459 3.545 -14.049 1.00 0.00 C ATOM 1239 O PHE A 81 3.255 3.769 -14.132 1.00 0.00 O ATOM 1240 CB PHE A 81 4.860 1.329 -12.989 1.00 0.00 C ATOM 1241 CG PHE A 81 5.849 0.513 -12.186 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.538 0.095 -10.881 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.072 0.139 -12.768 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.424 -0.746 -10.187 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.967 -0.687 -12.071 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.651 -1.107 -10.767 1.00 0.00 C ATOM 0 H PHE A 81 3.537 2.687 -11.392 1.00 0.00 H new ATOM 0 HA PHE A 81 6.081 3.111 -12.734 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.848 1.050 -12.694 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.966 1.076 -14.044 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.620 0.419 -10.413 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.325 0.489 -13.758 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.161 -1.115 -9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.892 -0.998 -12.533 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.354 -1.709 -10.210 1.00 0.00 H new ATOM 1256 N LYS A 82 5.328 3.834 -15.017 1.00 0.00 N ATOM 1257 CA LYS A 82 5.011 4.393 -16.317 1.00 0.00 C ATOM 1258 C LYS A 82 5.938 3.698 -17.315 1.00 0.00 C ATOM 1259 O LYS A 82 7.156 3.818 -17.195 1.00 0.00 O ATOM 1260 CB LYS A 82 5.248 5.908 -16.342 1.00 0.00 C ATOM 1261 CG LYS A 82 4.284 6.696 -15.454 1.00 0.00 C ATOM 1262 CD LYS A 82 4.477 8.189 -15.745 1.00 0.00 C ATOM 1263 CE LYS A 82 3.606 9.072 -14.849 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.764 10.487 -15.224 1.00 0.00 N ATOM 0 H LYS A 82 6.328 3.672 -14.901 1.00 0.00 H new ATOM 0 HA LYS A 82 3.961 4.234 -16.561 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.270 6.112 -16.024 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.156 6.264 -17.368 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.254 6.400 -15.654 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.478 6.485 -14.402 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.525 8.452 -15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.238 8.387 -16.790 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.561 8.778 -14.942 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.885 8.931 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.541 11.090 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.745 10.659 -15.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.118 10.713 -16.007 1.00 0.00 H new ATOM 1278 N ASN A 83 5.385 2.942 -18.273 1.00 0.00 N ATOM 1279 CA ASN A 83 6.174 2.221 -19.275 1.00 0.00 C ATOM 1280 C ASN A 83 7.290 1.414 -18.604 1.00 0.00 C ATOM 1281 O ASN A 83 8.457 1.483 -18.987 1.00 0.00 O ATOM 1282 CB ASN A 83 6.689 3.198 -20.344 1.00 0.00 C ATOM 1283 CG ASN A 83 7.051 2.493 -21.651 1.00 0.00 C ATOM 1284 OD1 ASN A 83 6.370 2.664 -22.656 1.00 0.00 O ATOM 1285 ND2 ASN A 83 8.110 1.691 -21.661 1.00 0.00 N ATOM 0 H ASN A 83 4.378 2.815 -18.373 1.00 0.00 H new ATOM 0 HA ASN A 83 5.542 1.497 -19.789 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.927 3.952 -20.540 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.565 3.722 -19.962 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.371 1.202 -22.517 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.662 1.564 -20.813 1.00 0.00 H new ATOM 1292 N GLY A 84 6.924 0.660 -17.567 1.00 0.00 N ATOM 1293 CA GLY A 84 7.849 -0.175 -16.821 1.00 0.00 C ATOM 1294 C GLY A 84 8.845 0.566 -15.928 1.00 0.00 C ATOM 1295 O GLY A 84 9.495 -0.087 -15.113 1.00 0.00 O ATOM 0 H GLY A 84 5.965 0.616 -17.222 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.271 -0.858 -16.199 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.409 -0.785 -17.529 1.00 0.00 H new ATOM 1299 N GLU A 85 8.960 1.896 -16.015 1.00 0.00 N ATOM 1300 CA GLU A 85 9.865 2.655 -15.166 1.00 0.00 C ATOM 1301 C GLU A 85 9.096 3.256 -13.998 1.00 0.00 C ATOM 1302 O GLU A 85 7.967 3.709 -14.160 1.00 0.00 O ATOM 1303 CB GLU A 85 10.544 3.766 -15.970 1.00 0.00 C ATOM 1304 CG GLU A 85 11.399 3.203 -17.108 1.00 0.00 C ATOM 1305 CD GLU A 85 12.476 2.232 -16.629 1.00 0.00 C ATOM 1306 OE1 GLU A 85 13.200 2.611 -15.682 1.00 0.00 O ATOM 1307 OE2 GLU A 85 12.553 1.130 -17.215 1.00 0.00 O ATOM 0 H GLU A 85 8.429 2.467 -16.673 1.00 0.00 H new ATOM 0 HA GLU A 85 10.632 1.983 -14.782 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.786 4.433 -16.381 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.169 4.364 -15.307 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.752 2.694 -17.822 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.873 4.028 -17.640 1.00 0.00 H new ATOM 1314 N VAL A 86 9.726 3.281 -12.826 1.00 0.00 N ATOM 1315 CA VAL A 86 9.136 3.874 -11.634 1.00 0.00 C ATOM 1316 C VAL A 86 9.247 5.397 -11.758 1.00 0.00 C ATOM 1317 O VAL A 86 10.354 5.931 -11.784 1.00 0.00 O ATOM 1318 CB VAL A 86 9.831 3.348 -10.363 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.250 4.009 -9.104 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.651 1.831 -10.227 1.00 0.00 C ATOM 0 H VAL A 86 10.657 2.891 -12.679 1.00 0.00 H new ATOM 0 HA VAL A 86 8.085 3.596 -11.549 1.00 0.00 H new ATOM 0 HB VAL A 86 10.889 3.591 -10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.758 3.620 -8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.394 5.088 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.185 3.789 -9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.151 1.485 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.589 1.595 -10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.086 1.334 -11.094 1.00 0.00 H new ATOM 1330 N ALA A 87 8.112 6.096 -11.814 1.00 0.00 N ATOM 1331 CA ALA A 87 8.061 7.549 -11.885 1.00 0.00 C ATOM 1332 C ALA A 87 8.287 8.118 -10.485 1.00 0.00 C ATOM 1333 O ALA A 87 9.055 9.060 -10.307 1.00 0.00 O ATOM 1334 CB ALA A 87 6.700 7.994 -12.431 1.00 0.00 C ATOM 0 H ALA A 87 7.191 5.658 -11.811 1.00 0.00 H new ATOM 0 HA ALA A 87 8.837 7.918 -12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.667 9.082 -12.482 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.555 7.579 -13.428 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.909 7.638 -11.771 1.00 0.00 H new ATOM 1340 N ALA A 88 7.628 7.522 -9.487 1.00 0.00 N ATOM 1341 CA ALA A 88 7.744 7.895 -8.088 1.00 0.00 C ATOM 1342 C ALA A 88 7.222 6.736 -7.250 1.00 0.00 C ATOM 1343 O ALA A 88 6.713 5.750 -7.786 1.00 0.00 O ATOM 1344 CB ALA A 88 6.955 9.175 -7.800 1.00 0.00 C ATOM 0 H ALA A 88 6.984 6.747 -9.642 1.00 0.00 H new ATOM 0 HA ALA A 88 8.786 8.097 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.056 9.435 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.344 9.988 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.903 9.014 -8.035 1.00 0.00 H new ATOM 1350 N THR A 89 7.338 6.857 -5.929 1.00 0.00 N ATOM 1351 CA THR A 89 6.887 5.835 -5.005 1.00 0.00 C ATOM 1352 C THR A 89 6.476 6.479 -3.681 1.00 0.00 C ATOM 1353 O THR A 89 6.837 7.625 -3.416 1.00 0.00 O ATOM 1354 CB THR A 89 7.990 4.774 -4.846 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.559 3.716 -4.018 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.295 5.339 -4.277 1.00 0.00 C ATOM 0 H THR A 89 7.750 7.672 -5.474 1.00 0.00 H new ATOM 0 HA THR A 89 6.004 5.327 -5.392 1.00 0.00 H new ATOM 0 HB THR A 89 8.191 4.410 -5.854 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.617 3.519 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.030 4.539 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.677 6.113 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.107 5.768 -3.293 1.00 0.00 H new ATOM 1364 N LYS A 90 5.731 5.731 -2.865 1.00 0.00 N ATOM 1365 CA LYS A 90 5.250 6.094 -1.543 1.00 0.00 C ATOM 1366 C LYS A 90 5.340 4.835 -0.683 1.00 0.00 C ATOM 1367 O LYS A 90 5.194 3.727 -1.200 1.00 0.00 O ATOM 1368 CB LYS A 90 3.800 6.594 -1.629 1.00 0.00 C ATOM 1369 CG LYS A 90 3.706 8.066 -2.051 1.00 0.00 C ATOM 1370 CD LYS A 90 4.018 9.008 -0.880 1.00 0.00 C ATOM 1371 CE LYS A 90 3.796 10.464 -1.299 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.030 11.390 -0.177 1.00 0.00 N ATOM 0 H LYS A 90 5.431 4.794 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 90 5.845 6.898 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.250 5.980 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.318 6.467 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.402 8.257 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.705 8.274 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.381 8.766 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.049 8.868 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.465 10.713 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.777 10.587 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.871 12.367 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.375 11.167 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.010 11.290 0.157 1.00 0.00 H new ATOM 1386 N VAL A 91 5.585 5.004 0.617 1.00 0.00 N ATOM 1387 CA VAL A 91 5.720 3.920 1.578 1.00 0.00 C ATOM 1388 C VAL A 91 4.821 4.262 2.764 1.00 0.00 C ATOM 1389 O VAL A 91 4.859 5.395 3.241 1.00 0.00 O ATOM 1390 CB VAL A 91 7.195 3.787 2.012 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.411 2.497 2.815 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.157 3.786 0.814 1.00 0.00 C ATOM 0 H VAL A 91 5.697 5.926 1.037 1.00 0.00 H new ATOM 0 HA VAL A 91 5.423 2.964 1.148 1.00 0.00 H new ATOM 0 HB VAL A 91 7.413 4.657 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.458 2.423 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.783 2.513 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.147 1.637 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.182 3.690 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.921 2.948 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.051 4.719 0.261 1.00 0.00 H new ATOM 1402 N GLY A 92 4.011 3.309 3.228 1.00 0.00 N ATOM 1403 CA GLY A 92 3.100 3.521 4.342 1.00 0.00 C ATOM 1404 C GLY A 92 1.754 4.072 3.873 1.00 0.00 C ATOM 1405 O GLY A 92 1.506 4.219 2.676 1.00 0.00 O ATOM 0 H GLY A 92 3.972 2.368 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.944 2.580 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.549 4.214 5.053 1.00 0.00 H new ATOM 1409 N ALA A 93 0.866 4.353 4.831 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.467 4.868 4.550 1.00 0.00 C ATOM 1411 C ALA A 93 -0.413 6.323 4.075 1.00 0.00 C ATOM 1412 O ALA A 93 0.597 7.004 4.236 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.345 4.722 5.796 1.00 0.00 C ATOM 0 H ALA A 93 1.057 4.227 5.825 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.906 4.285 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.343 5.108 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.413 3.670 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.905 5.285 6.619 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.523 6.797 3.505 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.696 8.146 2.988 1.00 0.00 C ATOM 1421 C LEU A 94 -3.129 8.578 3.253 1.00 0.00 C ATOM 1422 O LEU A 94 -4.019 7.732 3.339 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.512 8.131 1.464 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.065 8.347 1.012 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.120 7.737 -0.374 1.00 0.00 C ATOM 1426 CD2 LEU A 94 0.191 9.848 0.887 1.00 0.00 C ATOM 0 H LEU A 94 -2.358 6.223 3.389 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.976 8.813 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.865 7.176 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.139 8.906 1.024 1.00 0.00 H new ATOM 0 HG LEU A 94 0.614 7.890 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.148 7.887 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.096 6.669 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.560 8.218 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.219 10.016 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.493 10.274 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.030 10.326 1.853 1.00 0.00 H new ATOM 1438 N SER A 95 -3.365 9.891 3.293 1.00 0.00 N ATOM 1439 CA SER A 95 -4.713 10.420 3.336 1.00 0.00 C ATOM 1440 C SER A 95 -5.215 10.411 1.894 1.00 0.00 C ATOM 1441 O SER A 95 -4.413 10.440 0.956 1.00 0.00 O ATOM 1442 CB SER A 95 -4.708 11.841 3.908 1.00 0.00 C ATOM 1443 OG SER A 95 -3.949 12.718 3.091 1.00 0.00 O ATOM 0 H SER A 95 -2.633 10.601 3.296 1.00 0.00 H new ATOM 0 HA SER A 95 -5.361 9.824 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.731 12.208 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.294 11.829 4.916 1.00 0.00 H new ATOM 0 HG SER A 95 -4.413 13.578 3.014 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.534 10.399 1.699 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.093 10.445 0.356 1.00 0.00 C ATOM 1451 C LYS A 96 -6.545 11.683 -0.365 1.00 0.00 C ATOM 1452 O LYS A 96 -6.115 11.600 -1.511 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.626 10.418 0.431 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.255 10.223 -0.955 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.764 9.983 -0.819 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.405 9.609 -2.160 1.00 0.00 C ATOM 1457 NZ LYS A 96 -11.222 10.664 -3.169 1.00 0.00 N ATOM 0 H LYS A 96 -7.225 10.358 2.448 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.796 9.570 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.945 9.612 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.986 11.350 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.073 11.102 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.788 9.377 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.941 9.186 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.241 10.881 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.969 8.679 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.470 9.426 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.055 10.699 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.106 11.582 -2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.375 10.458 -3.737 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.519 12.821 0.337 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.987 14.072 -0.176 1.00 0.00 C ATOM 1473 C GLY A 97 -4.537 13.926 -0.641 1.00 0.00 C ATOM 1474 O GLY A 97 -4.228 14.225 -1.793 1.00 0.00 O ATOM 0 H GLY A 97 -6.874 12.892 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.602 14.414 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.045 14.836 0.599 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.633 13.470 0.237 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.233 13.319 -0.134 1.00 0.00 C ATOM 1480 C GLN A 98 -2.068 12.330 -1.284 1.00 0.00 C ATOM 1481 O GLN A 98 -1.278 12.572 -2.193 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.398 12.904 1.080 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.126 14.071 2.036 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.132 15.056 1.422 1.00 0.00 C ATOM 1485 OE1 GLN A 98 1.074 14.857 1.514 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -0.621 16.115 0.783 1.00 0.00 N ATOM 0 H GLN A 98 -3.850 13.204 1.197 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.868 14.285 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.917 12.111 1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.449 12.490 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.060 14.585 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.733 13.691 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.630 16.254 0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.013 16.789 0.353 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.802 11.218 -1.267 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.730 10.251 -2.345 1.00 0.00 C ATOM 1497 C LEU A 99 -3.161 10.913 -3.661 1.00 0.00 C ATOM 1498 O LEU A 99 -2.415 10.858 -4.637 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.552 9.016 -1.962 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.594 7.901 -3.017 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.205 7.432 -3.471 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.317 6.708 -2.389 1.00 0.00 C ATOM 0 H LEU A 99 -3.449 10.971 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.708 9.907 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.148 8.604 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.574 9.332 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.099 8.296 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.313 6.644 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.662 8.271 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.653 7.048 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.367 5.892 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.773 6.377 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.327 7.003 -2.104 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.319 11.584 -3.695 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.761 12.299 -4.890 1.00 0.00 C ATOM 1516 C LYS A 100 -3.682 13.279 -5.355 1.00 0.00 C ATOM 1517 O LYS A 100 -3.354 13.319 -6.538 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.063 13.075 -4.646 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.295 12.169 -4.582 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.589 12.996 -4.636 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.213 13.020 -6.039 1.00 0.00 C ATOM 1522 NZ LYS A 100 -8.318 13.614 -7.047 1.00 0.00 N ATOM 0 H LYS A 100 -4.964 11.644 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.944 11.549 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.979 13.631 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.198 13.807 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.275 11.463 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.272 11.582 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.309 12.585 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.377 14.017 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.466 12.003 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.145 13.584 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.859 13.824 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.908 14.493 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.555 12.944 -7.271 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.143 14.066 -4.419 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.103 15.051 -4.681 1.00 0.00 C ATOM 1538 C GLU A 101 -0.906 14.378 -5.363 1.00 0.00 C ATOM 1539 O GLU A 101 -0.468 14.808 -6.425 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.732 15.731 -3.357 1.00 0.00 C ATOM 1541 CG GLU A 101 -0.778 16.916 -3.518 1.00 0.00 C ATOM 1542 CD GLU A 101 -0.525 17.584 -2.168 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.402 18.374 -1.754 1.00 0.00 O ATOM 1544 OE2 GLU A 101 0.518 17.271 -1.553 1.00 0.00 O ATOM 0 H GLU A 101 -3.427 14.031 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.456 15.821 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.643 16.074 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.274 14.995 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.165 16.576 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.201 17.639 -4.215 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.393 13.308 -4.752 1.00 0.00 N ATOM 1552 CA PHE A 102 0.729 12.527 -5.255 1.00 0.00 C ATOM 1553 C PHE A 102 0.457 12.035 -6.678 1.00 0.00 C ATOM 1554 O PHE A 102 1.250 12.264 -7.595 1.00 0.00 O ATOM 1555 CB PHE A 102 0.973 11.347 -4.304 1.00 0.00 C ATOM 1556 CG PHE A 102 2.014 10.352 -4.783 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.376 10.703 -4.798 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.615 9.082 -5.243 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.339 9.773 -5.228 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.575 8.165 -5.703 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.936 8.507 -5.690 1.00 0.00 C ATOM 0 H PHE A 102 -0.760 12.954 -3.869 1.00 0.00 H new ATOM 0 HA PHE A 102 1.620 13.153 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.282 11.737 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.031 10.821 -4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.683 11.688 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.569 8.813 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.388 10.031 -5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.265 7.196 -6.067 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.674 7.798 -6.035 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.668 11.344 -6.863 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.040 10.794 -8.155 1.00 0.00 C ATOM 1573 C LEU A 103 -1.143 11.907 -9.195 1.00 0.00 C ATOM 1574 O LEU A 103 -0.541 11.811 -10.260 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.348 10.006 -8.031 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.217 8.784 -7.108 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.603 8.187 -6.871 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.244 7.730 -7.647 1.00 0.00 C ATOM 0 H LEU A 103 -1.341 11.153 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.266 10.104 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.129 10.663 -7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.665 9.677 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.793 9.121 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.518 7.319 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.245 8.933 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.036 7.882 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.194 6.892 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.592 7.376 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.253 8.171 -7.755 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.875 12.977 -8.880 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.032 14.123 -9.764 1.00 0.00 C ATOM 1592 C ASP A 104 -0.666 14.694 -10.147 1.00 0.00 C ATOM 1593 O ASP A 104 -0.389 14.886 -11.327 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.905 15.188 -9.095 1.00 0.00 C ATOM 1595 CG ASP A 104 -3.072 16.399 -10.005 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.938 16.315 -10.902 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.326 17.379 -9.792 1.00 0.00 O ATOM 0 H ASP A 104 -2.377 13.069 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.528 13.798 -10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.882 14.768 -8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.453 15.495 -8.152 1.00 0.00 H new ATOM 1602 N ALA A 105 0.188 14.946 -9.152 1.00 0.00 N ATOM 1603 CA ALA A 105 1.530 15.476 -9.359 1.00 0.00 C ATOM 1604 C ALA A 105 2.340 14.594 -10.312 1.00 0.00 C ATOM 1605 O ALA A 105 3.128 15.106 -11.104 1.00 0.00 O ATOM 1606 CB ALA A 105 2.243 15.628 -8.013 1.00 0.00 C ATOM 0 H ALA A 105 -0.039 14.785 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 105 1.443 16.458 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.245 16.024 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.680 16.313 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.312 14.655 -7.526 1.00 0.00 H new ATOM 1612 N ASN A 106 2.137 13.274 -10.260 1.00 0.00 N ATOM 1613 CA ASN A 106 2.861 12.353 -11.129 1.00 0.00 C ATOM 1614 C ASN A 106 2.249 12.376 -12.524 1.00 0.00 C ATOM 1615 O ASN A 106 2.972 12.520 -13.506 1.00 0.00 O ATOM 1616 CB ASN A 106 2.800 10.925 -10.577 1.00 0.00 C ATOM 1617 CG ASN A 106 3.901 10.658 -9.564 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.934 10.099 -9.916 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.688 11.032 -8.307 1.00 0.00 N ATOM 0 H ASN A 106 1.478 12.824 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 106 3.903 12.670 -11.174 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.829 10.758 -10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.884 10.215 -11.399 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.397 10.856 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.815 11.495 -8.054 1.00 0.00 H new ATOM 1626 N LEU A 107 0.927 12.230 -12.629 1.00 0.00 N ATOM 1627 CA LEU A 107 0.227 12.233 -13.905 1.00 0.00 C ATOM 1628 C LEU A 107 0.535 13.523 -14.671 1.00 0.00 C ATOM 1629 O LEU A 107 0.837 13.485 -15.861 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.278 12.072 -13.657 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.653 10.673 -13.134 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.058 10.723 -12.526 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.624 9.622 -14.251 1.00 0.00 C ATOM 0 H LEU A 107 0.313 12.106 -11.824 1.00 0.00 H new ATOM 0 HA LEU A 107 0.567 11.397 -14.517 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.605 12.823 -12.938 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.817 12.264 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.919 10.386 -12.382 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.329 9.735 -12.154 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.073 11.437 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.773 11.032 -13.288 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.894 8.649 -13.842 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.335 9.899 -15.029 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.622 9.571 -14.677 1.00 0.00 H new ATOM 1645 N ALA A 108 0.485 14.665 -13.983 1.00 0.00 N ATOM 1646 CA ALA A 108 0.803 15.958 -14.567 1.00 0.00 C ATOM 1647 C ALA A 108 2.246 15.955 -15.070 1.00 0.00 C ATOM 1648 O ALA A 108 2.697 16.927 -15.675 1.00 0.00 O ATOM 1649 CB ALA A 108 0.580 17.057 -13.523 1.00 0.00 C ATOM 0 H ALA A 108 0.220 14.713 -12.999 1.00 0.00 H new ATOM 0 HA ALA A 108 0.149 16.154 -15.417 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.818 18.027 -13.959 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.462 17.049 -13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.225 16.878 -12.663 1.00 0.00 H new TER 1655 ALA A 108