USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 24 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0154) USER MOD Set 1.2: A 27 ASN : amide:sc= 0.817 K(o=0.82,f=-1) USER MOD Set 2.1: A 12 THR OG1 : rot -31:sc= 0.488 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= -0.221 USER MOD Single : A 1 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.088) USER MOD Single : A 7 TYR OH : rot 133:sc= 0.298 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.161 F(o=-2.9!,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0113) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.175 F(o=-1.7!,f=0.18) USER MOD Single : A 53 MET CE :methyl 179:sc= -1.97 (180deg=-2.11) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.481 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 0.478 (180deg=0.0131) USER MOD Single : A 74 MET CE :methyl 168:sc= 0 (180deg=-0.0563) USER MOD Single : A 75 SER OG : rot -61:sc= 0.0832 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= 2.32 (180deg=-1.22!) USER MOD Single : A 90 HEC O2A : rot 169:sc= -1.14 USER MOD Single : A 90 HEC O2D : rot 177:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 1.778 -1.656 -12.465 1.00 10.00 N ATOM 2 CA ALA A -3 1.825 -2.278 -13.812 1.00 10.00 C ATOM 3 C ALA A -3 3.110 -3.086 -14.097 1.00 10.00 C ATOM 4 O ALA A -3 3.465 -3.237 -15.261 1.00 10.00 O ATOM 5 CB ALA A -3 1.612 -1.197 -14.882 1.00 10.00 C ATOM 0 H1 ALA A -3 0.885 -1.134 -12.355 1.00 10.00 H new ATOM 0 H2 ALA A -3 1.837 -2.397 -11.738 1.00 10.00 H new ATOM 0 H3 ALA A -3 2.578 -1.001 -12.357 1.00 10.00 H new ATOM 0 HA ALA A -3 1.018 -3.010 -13.844 1.00 10.00 H new ATOM 0 HB1 ALA A -3 1.646 -1.653 -15.872 1.00 10.00 H new ATOM 0 HB2 ALA A -3 0.641 -0.725 -14.734 1.00 10.00 H new ATOM 0 HB3 ALA A -3 2.397 -0.445 -14.801 1.00 10.00 H new ATOM 13 N ASP A -2 3.809 -3.590 -13.069 1.00 10.00 N ATOM 14 CA ASP A -2 5.105 -4.246 -13.252 1.00 10.00 C ATOM 15 C ASP A -2 5.502 -5.069 -12.008 1.00 10.00 C ATOM 16 O ASP A -2 6.246 -4.599 -11.152 1.00 10.00 O ATOM 17 CB ASP A -2 6.148 -3.166 -13.592 1.00 10.00 C ATOM 18 CG ASP A -2 7.452 -3.798 -14.051 1.00 10.00 C ATOM 19 OD1 ASP A -2 7.498 -4.181 -15.237 1.00 10.00 O ATOM 20 OD2 ASP A -2 8.368 -3.887 -13.210 1.00 10.00 O ATOM 0 H ASP A -2 3.494 -3.554 -12.100 1.00 10.00 H new ATOM 0 HA ASP A -2 5.048 -4.960 -14.074 1.00 10.00 H new ATOM 0 HB2 ASP A -2 5.760 -2.513 -14.374 1.00 10.00 H new ATOM 0 HB3 ASP A -2 6.330 -2.542 -12.717 1.00 10.00 H new ATOM 25 N LEU A -1 4.999 -6.303 -11.879 1.00 10.00 N ATOM 26 CA LEU A -1 5.247 -7.145 -10.697 1.00 10.00 C ATOM 27 C LEU A -1 6.638 -7.796 -10.666 1.00 10.00 C ATOM 28 O LEU A -1 6.793 -8.935 -10.242 1.00 10.00 O ATOM 29 CB LEU A -1 4.083 -8.130 -10.485 1.00 10.00 C ATOM 30 CG LEU A -1 3.962 -9.411 -11.350 1.00 10.00 C ATOM 31 CD1 LEU A -1 4.524 -9.291 -12.772 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.449 -10.699 -10.669 1.00 10.00 C ATOM 0 H LEU A -1 4.412 -6.746 -12.585 1.00 10.00 H new ATOM 0 HA LEU A -1 5.273 -6.484 -9.830 1.00 10.00 H new ATOM 0 HB2 LEU A -1 4.118 -8.449 -9.443 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.159 -7.567 -10.615 1.00 10.00 H new ATOM 0 HG LEU A -1 2.881 -9.505 -11.455 1.00 10.00 H new ATOM 0 HD11 LEU A -1 4.393 -10.238 -13.296 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.994 -8.503 -13.307 1.00 10.00 H new ATOM 0 HD13 LEU A -1 5.585 -9.047 -12.724 1.00 10.00 H new ATOM 0 HD21 LEU A -1 4.325 -11.540 -11.351 1.00 10.00 H new ATOM 0 HD22 LEU A -1 5.502 -10.596 -10.407 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.866 -10.875 -9.765 1.00 10.00 H new ATOM 44 N GLN A 1 7.657 -7.083 -11.146 1.00 10.00 N ATOM 45 CA GLN A 1 9.036 -7.563 -11.146 1.00 10.00 C ATOM 46 C GLN A 1 9.842 -6.987 -9.987 1.00 10.00 C ATOM 47 O GLN A 1 10.802 -7.614 -9.543 1.00 10.00 O ATOM 48 CB GLN A 1 9.708 -7.205 -12.481 1.00 10.00 C ATOM 49 CG GLN A 1 9.815 -8.416 -13.415 1.00 10.00 C ATOM 50 CD GLN A 1 10.758 -9.487 -12.872 1.00 10.00 C ATOM 51 OE1 GLN A 1 11.972 -9.340 -12.905 1.00 10.00 O ATOM 52 NE2 GLN A 1 10.220 -10.594 -12.376 1.00 10.00 N ATOM 0 H GLN A 1 7.547 -6.152 -11.547 1.00 10.00 H new ATOM 0 HA GLN A 1 9.011 -8.646 -11.021 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.138 -6.417 -12.973 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.704 -6.806 -12.290 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.825 -8.848 -13.561 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.167 -8.087 -14.393 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.206 -10.703 -12.355 1.00 10.00 H new ATOM 0 HE22 GLN A 1 10.820 -11.336 -12.016 1.00 10.00 H new ATOM 61 N ASP A 2 9.448 -5.809 -9.502 1.00 10.00 N ATOM 62 CA ASP A 2 10.007 -5.235 -8.303 1.00 10.00 C ATOM 63 C ASP A 2 8.892 -4.588 -7.480 1.00 10.00 C ATOM 64 O ASP A 2 8.231 -3.646 -7.919 1.00 10.00 O ATOM 65 CB ASP A 2 11.131 -4.258 -8.662 1.00 10.00 C ATOM 66 CG ASP A 2 11.998 -4.011 -7.441 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.393 -3.760 -6.375 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.234 -4.109 -7.590 1.00 10.00 O ATOM 0 H ASP A 2 8.729 -5.233 -9.940 1.00 10.00 H new ATOM 0 HA ASP A 2 10.456 -6.012 -7.684 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.735 -4.664 -9.473 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.710 -3.318 -9.018 1.00 10.00 H new ATOM 73 N ALA A 3 8.718 -5.064 -6.254 1.00 10.00 N ATOM 74 CA ALA A 3 7.835 -4.464 -5.277 1.00 10.00 C ATOM 75 C ALA A 3 8.059 -2.951 -5.110 1.00 10.00 C ATOM 76 O ALA A 3 7.095 -2.194 -4.956 1.00 10.00 O ATOM 77 CB ALA A 3 8.059 -5.213 -3.978 1.00 10.00 C ATOM 0 H ALA A 3 9.199 -5.895 -5.909 1.00 10.00 H new ATOM 0 HA ALA A 3 6.800 -4.550 -5.609 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.414 -4.798 -3.203 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.823 -6.268 -4.121 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.101 -5.112 -3.675 1.00 10.00 H new ATOM 83 N GLU A 4 9.318 -2.491 -5.195 1.00 10.00 N ATOM 84 CA GLU A 4 9.611 -1.065 -5.243 1.00 10.00 C ATOM 85 C GLU A 4 8.938 -0.417 -6.455 1.00 10.00 C ATOM 86 O GLU A 4 8.263 0.600 -6.323 1.00 10.00 O ATOM 87 CB GLU A 4 11.121 -0.803 -5.200 1.00 10.00 C ATOM 88 CG GLU A 4 11.436 0.697 -5.379 1.00 10.00 C ATOM 89 CD GLU A 4 12.776 1.129 -4.789 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.616 0.242 -4.526 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.931 2.355 -4.601 1.00 10.00 O ATOM 0 H GLU A 4 10.142 -3.091 -5.231 1.00 10.00 H new ATOM 0 HA GLU A 4 9.192 -0.596 -4.353 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.525 -1.151 -4.249 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.614 -1.376 -5.985 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.426 0.934 -6.443 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.642 1.282 -4.915 1.00 10.00 H new ATOM 98 N ALA A 5 9.037 -1.041 -7.630 1.00 10.00 N ATOM 99 CA ALA A 5 8.423 -0.525 -8.846 1.00 10.00 C ATOM 100 C ALA A 5 6.897 -0.594 -8.763 1.00 10.00 C ATOM 101 O ALA A 5 6.221 0.308 -9.249 1.00 10.00 O ATOM 102 CB ALA A 5 8.945 -1.271 -10.075 1.00 10.00 C ATOM 0 H ALA A 5 9.545 -1.916 -7.761 1.00 10.00 H new ATOM 0 HA ALA A 5 8.701 0.524 -8.947 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.473 -0.870 -10.972 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.025 -1.145 -10.146 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.709 -2.331 -9.985 1.00 10.00 H new ATOM 108 N ILE A 6 6.336 -1.586 -8.066 1.00 10.00 N ATOM 109 CA ILE A 6 4.891 -1.643 -7.882 1.00 10.00 C ATOM 110 C ILE A 6 4.452 -0.447 -7.042 1.00 10.00 C ATOM 111 O ILE A 6 3.599 0.314 -7.501 1.00 10.00 O ATOM 112 CB ILE A 6 4.477 -2.974 -7.224 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.501 -4.141 -8.225 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.104 -2.898 -6.530 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.405 -4.073 -9.299 1.00 10.00 C ATOM 0 H ILE A 6 6.854 -2.347 -7.628 1.00 10.00 H new ATOM 0 HA ILE A 6 4.395 -1.597 -8.852 1.00 10.00 H new ATOM 0 HB ILE A 6 5.224 -3.163 -6.453 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.474 -4.164 -8.716 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.399 -5.077 -7.677 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.867 -3.865 -6.086 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.132 -2.137 -5.750 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.340 -2.638 -7.263 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.493 -4.932 -9.964 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.426 -4.083 -8.821 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.518 -3.155 -9.876 1.00 10.00 H new ATOM 127 N TYR A 7 5.057 -0.192 -5.876 1.00 10.00 N ATOM 128 CA TYR A 7 4.584 0.951 -5.096 1.00 10.00 C ATOM 129 C TYR A 7 4.925 2.286 -5.772 1.00 10.00 C ATOM 130 O TYR A 7 4.085 3.174 -5.866 1.00 10.00 O ATOM 131 CB TYR A 7 4.959 0.869 -3.606 1.00 10.00 C ATOM 132 CG TYR A 7 6.189 1.648 -3.210 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.131 3.051 -3.086 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.414 0.984 -3.076 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.318 3.795 -2.999 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.599 1.731 -2.987 1.00 10.00 C ATOM 137 CZ TYR A 7 8.555 3.131 -2.975 1.00 10.00 C ATOM 138 OH TYR A 7 9.707 3.850 -2.918 1.00 10.00 O ATOM 0 H TYR A 7 5.827 -0.725 -5.473 1.00 10.00 H new ATOM 0 HA TYR A 7 3.495 0.903 -5.088 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.116 1.227 -3.015 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.111 -0.178 -3.343 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.175 3.553 -3.058 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.447 -0.095 -3.041 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.280 4.873 -2.951 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.550 1.223 -2.927 1.00 10.00 H new ATOM 0 HH TYR A 7 10.295 3.472 -2.231 1.00 10.00 H new ATOM 148 N ASN A 8 6.138 2.401 -6.307 1.00 10.00 N ATOM 149 CA ASN A 8 6.671 3.597 -6.941 1.00 10.00 C ATOM 150 C ASN A 8 5.969 3.919 -8.271 1.00 10.00 C ATOM 151 O ASN A 8 6.019 5.055 -8.727 1.00 10.00 O ATOM 152 CB ASN A 8 8.180 3.403 -7.094 1.00 10.00 C ATOM 153 CG ASN A 8 8.931 4.656 -7.506 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.584 5.772 -7.145 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.006 4.477 -8.257 1.00 10.00 N ATOM 0 H ASN A 8 6.803 1.627 -6.309 1.00 10.00 H new ATOM 0 HA ASN A 8 6.477 4.469 -6.317 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.586 3.044 -6.148 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.361 2.624 -7.835 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.565 5.279 -8.547 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.276 3.537 -8.546 1.00 10.00 H new ATOM 162 N LYS A 9 5.334 2.932 -8.916 1.00 10.00 N ATOM 163 CA LYS A 9 4.431 3.150 -10.050 1.00 10.00 C ATOM 164 C LYS A 9 2.951 3.312 -9.646 1.00 10.00 C ATOM 165 O LYS A 9 2.204 3.961 -10.374 1.00 10.00 O ATOM 166 CB LYS A 9 4.597 2.019 -11.075 1.00 10.00 C ATOM 167 CG LYS A 9 4.153 2.446 -12.485 1.00 10.00 C ATOM 168 CD LYS A 9 5.262 2.249 -13.534 1.00 10.00 C ATOM 169 CE LYS A 9 6.517 3.083 -13.220 1.00 10.00 C ATOM 170 NZ LYS A 9 7.415 3.182 -14.389 1.00 10.00 N ATOM 0 H LYS A 9 5.435 1.949 -8.661 1.00 10.00 H new ATOM 0 HA LYS A 9 4.718 4.101 -10.498 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.641 1.706 -11.103 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.014 1.155 -10.758 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.275 1.870 -12.776 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.855 3.494 -12.467 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.532 1.194 -13.581 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.882 2.525 -14.518 1.00 10.00 H new ATOM 0 HE2 LYS A 9 6.220 4.083 -12.904 1.00 10.00 H new ATOM 0 HE3 LYS A 9 7.054 2.632 -12.386 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 8.249 3.751 -14.139 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 7.719 2.229 -14.675 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 6.910 3.635 -15.177 1.00 10.00 H new ATOM 184 N ALA A 10 2.511 2.697 -8.539 1.00 10.00 N ATOM 185 CA ALA A 10 1.094 2.595 -8.157 1.00 10.00 C ATOM 186 C ALA A 10 0.761 3.435 -6.918 1.00 10.00 C ATOM 187 O ALA A 10 0.030 4.421 -7.008 1.00 10.00 O ATOM 188 CB ALA A 10 0.712 1.125 -7.949 1.00 10.00 C ATOM 0 H ALA A 10 3.140 2.249 -7.872 1.00 10.00 H new ATOM 0 HA ALA A 10 0.500 3.004 -8.975 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.339 1.059 -7.666 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.875 0.572 -8.874 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.328 0.697 -7.158 1.00 10.00 H new ATOM 194 N CYS A 11 1.329 3.096 -5.758 1.00 10.00 N ATOM 195 CA CYS A 11 1.148 3.806 -4.489 1.00 10.00 C ATOM 196 C CYS A 11 1.956 5.126 -4.465 1.00 10.00 C ATOM 197 O CYS A 11 2.551 5.506 -3.459 1.00 10.00 O ATOM 198 CB CYS A 11 1.488 2.896 -3.316 1.00 10.00 C ATOM 199 SG CYS A 11 1.476 1.100 -3.627 1.00 10.00 S ATOM 0 H CYS A 11 1.950 2.291 -5.673 1.00 10.00 H new ATOM 0 HA CYS A 11 0.098 4.083 -4.392 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.478 3.170 -2.952 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.783 3.105 -2.511 1.00 10.00 H new ATOM 204 N THR A 12 1.964 5.846 -5.590 1.00 10.00 N ATOM 205 CA THR A 12 2.893 6.939 -5.875 1.00 10.00 C ATOM 206 C THR A 12 2.217 8.238 -6.281 1.00 10.00 C ATOM 207 O THR A 12 2.881 9.248 -6.507 1.00 10.00 O ATOM 208 CB THR A 12 3.866 6.492 -6.967 1.00 10.00 C ATOM 209 OG1 THR A 12 4.932 7.404 -7.029 1.00 10.00 O ATOM 210 CG2 THR A 12 3.179 6.432 -8.339 1.00 10.00 C ATOM 0 H THR A 12 1.304 5.678 -6.349 1.00 10.00 H new ATOM 0 HA THR A 12 3.418 7.158 -4.945 1.00 10.00 H new ATOM 0 HB THR A 12 4.225 5.493 -6.720 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.613 8.297 -6.783 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.898 6.111 -9.092 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.352 5.723 -8.301 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.798 7.420 -8.599 1.00 10.00 H new ATOM 218 N VAL A 13 0.895 8.195 -6.407 1.00 10.00 N ATOM 219 CA VAL A 13 0.080 9.301 -6.878 1.00 10.00 C ATOM 220 C VAL A 13 -0.487 10.036 -5.662 1.00 10.00 C ATOM 221 O VAL A 13 -0.544 11.261 -5.600 1.00 10.00 O ATOM 222 CB VAL A 13 -1.032 8.726 -7.773 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.679 9.878 -8.531 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.500 7.707 -8.793 1.00 10.00 C ATOM 0 H VAL A 13 0.349 7.365 -6.177 1.00 10.00 H new ATOM 0 HA VAL A 13 0.660 10.014 -7.464 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.745 8.209 -7.131 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.471 9.492 -9.172 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.101 10.589 -7.821 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.928 10.378 -9.143 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.326 7.333 -9.398 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.234 8.188 -9.439 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -0.031 6.876 -8.266 1.00 10.00 H new ATOM 234 N CYS A 14 -0.890 9.229 -4.682 1.00 10.00 N ATOM 235 CA CYS A 14 -1.588 9.614 -3.476 1.00 10.00 C ATOM 236 C CYS A 14 -0.620 9.596 -2.295 1.00 10.00 C ATOM 237 O CYS A 14 -0.370 10.632 -1.696 1.00 10.00 O ATOM 238 CB CYS A 14 -2.718 8.634 -3.328 1.00 10.00 C ATOM 239 SG CYS A 14 -3.771 8.831 -4.785 1.00 10.00 S ATOM 0 H CYS A 14 -0.722 8.224 -4.721 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.986 10.628 -3.517 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.339 7.614 -3.259 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.281 8.827 -2.415 1.00 10.00 H new ATOM 244 N HIS A 15 -0.036 8.441 -1.975 1.00 10.00 N ATOM 245 CA HIS A 15 0.726 8.242 -0.739 1.00 10.00 C ATOM 246 C HIS A 15 2.114 8.909 -0.729 1.00 10.00 C ATOM 247 O HIS A 15 2.708 9.091 0.338 1.00 10.00 O ATOM 248 CB HIS A 15 0.867 6.736 -0.512 1.00 10.00 C ATOM 249 CG HIS A 15 -0.399 6.045 -0.099 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.703 5.727 1.192 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.322 5.443 -0.906 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.763 4.907 1.174 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.218 4.740 -0.083 1.00 10.00 N ATOM 0 H HIS A 15 -0.078 7.612 -2.568 1.00 10.00 H new ATOM 0 HA HIS A 15 0.173 8.728 0.065 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.233 6.276 -1.430 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.624 6.567 0.254 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -0.211 6.055 2.023 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.357 5.498 -1.984 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.194 4.443 2.049 1.00 10.00 H new ATOM 261 N SER A 16 2.623 9.286 -1.908 1.00 10.00 N ATOM 262 CA SER A 16 3.919 9.950 -2.058 1.00 10.00 C ATOM 263 C SER A 16 3.870 11.375 -1.501 1.00 10.00 C ATOM 264 O SER A 16 4.790 11.798 -0.806 1.00 10.00 O ATOM 265 CB SER A 16 4.358 9.962 -3.530 1.00 10.00 C ATOM 266 OG SER A 16 4.924 8.710 -3.869 1.00 10.00 O ATOM 0 H SER A 16 2.139 9.136 -2.793 1.00 10.00 H new ATOM 0 HA SER A 16 4.654 9.385 -1.485 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.503 10.171 -4.173 1.00 10.00 H new ATOM 0 HB3 SER A 16 5.084 10.757 -3.696 1.00 10.00 H new ATOM 0 HG SER A 16 5.201 8.720 -4.809 1.00 10.00 H new ATOM 272 N MET A 17 2.803 12.111 -1.830 1.00 10.00 N ATOM 273 CA MET A 17 2.630 13.519 -1.472 1.00 10.00 C ATOM 274 C MET A 17 1.450 13.756 -0.511 1.00 10.00 C ATOM 275 O MET A 17 1.478 14.689 0.290 1.00 10.00 O ATOM 276 CB MET A 17 2.472 14.335 -2.766 1.00 10.00 C ATOM 277 CG MET A 17 3.193 15.684 -2.643 1.00 10.00 C ATOM 278 SD MET A 17 4.997 15.588 -2.803 1.00 10.00 S ATOM 279 CE MET A 17 5.442 17.291 -2.424 1.00 10.00 C ATOM 0 H MET A 17 2.020 11.734 -2.364 1.00 10.00 H new ATOM 0 HA MET A 17 3.515 13.847 -0.927 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.878 13.775 -3.608 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.414 14.499 -2.973 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.808 16.359 -3.408 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.949 16.125 -1.677 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.525 17.405 -2.478 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.970 17.959 -3.144 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.101 17.541 -1.419 1.00 10.00 H new ATOM 289 N GLY A 18 0.408 12.925 -0.601 1.00 10.00 N ATOM 290 CA GLY A 18 -0.801 12.985 0.221 1.00 10.00 C ATOM 291 C GLY A 18 -1.848 13.972 -0.315 1.00 10.00 C ATOM 292 O GLY A 18 -2.227 14.914 0.372 1.00 10.00 O ATOM 0 H GLY A 18 0.384 12.161 -1.277 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.244 11.991 0.278 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.528 13.271 1.237 1.00 10.00 H new ATOM 296 N VAL A 19 -2.350 13.737 -1.536 1.00 10.00 N ATOM 297 CA VAL A 19 -3.287 14.650 -2.212 1.00 10.00 C ATOM 298 C VAL A 19 -4.722 14.448 -1.742 1.00 10.00 C ATOM 299 O VAL A 19 -5.351 15.348 -1.195 1.00 10.00 O ATOM 300 CB VAL A 19 -3.165 14.541 -3.745 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.152 15.488 -4.449 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.746 14.896 -4.205 1.00 10.00 C ATOM 0 H VAL A 19 -2.119 12.908 -2.084 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.008 15.666 -1.932 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.395 13.509 -4.011 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -4.043 15.389 -5.529 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.171 15.230 -4.162 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.942 16.516 -4.156 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.684 14.812 -5.290 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.511 15.918 -3.906 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -1.033 14.211 -3.747 1.00 10.00 H new ATOM 312 N ALA A 20 -5.226 13.227 -1.878 1.00 10.00 N ATOM 313 CA ALA A 20 -6.555 12.836 -1.421 1.00 10.00 C ATOM 314 C ALA A 20 -6.531 12.470 0.069 1.00 10.00 C ATOM 315 O ALA A 20 -7.189 11.532 0.509 1.00 10.00 O ATOM 316 CB ALA A 20 -6.996 11.669 -2.294 1.00 10.00 C ATOM 0 H ALA A 20 -4.711 12.465 -2.319 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.265 13.657 -1.515 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.989 11.341 -1.988 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.023 11.985 -3.337 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.291 10.845 -2.183 1.00 10.00 H new ATOM 322 N GLY A 21 -5.699 13.188 0.826 1.00 10.00 N ATOM 323 CA GLY A 21 -5.424 12.927 2.238 1.00 10.00 C ATOM 324 C GLY A 21 -4.862 11.522 2.492 1.00 10.00 C ATOM 325 O GLY A 21 -5.038 10.969 3.572 1.00 10.00 O ATOM 0 H GLY A 21 -5.184 13.990 0.462 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -4.715 13.668 2.607 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.343 13.053 2.810 1.00 10.00 H new ATOM 329 N ALA A 22 -4.179 10.939 1.498 1.00 10.00 N ATOM 330 CA ALA A 22 -3.649 9.582 1.591 1.00 10.00 C ATOM 331 C ALA A 22 -2.545 9.465 2.669 1.00 10.00 C ATOM 332 O ALA A 22 -1.709 10.364 2.779 1.00 10.00 O ATOM 333 CB ALA A 22 -3.189 9.134 0.201 1.00 10.00 C ATOM 0 H ALA A 22 -3.981 11.399 0.609 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.435 8.904 1.923 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.791 8.121 0.258 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.035 9.153 -0.486 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.413 9.809 -0.160 1.00 10.00 H new ATOM 339 N PRO A 23 -2.530 8.388 3.477 1.00 10.00 N ATOM 340 CA PRO A 23 -1.612 8.242 4.603 1.00 10.00 C ATOM 341 C PRO A 23 -0.170 8.063 4.117 1.00 10.00 C ATOM 342 O PRO A 23 0.059 7.543 3.027 1.00 10.00 O ATOM 343 CB PRO A 23 -2.118 7.049 5.417 1.00 10.00 C ATOM 344 CG PRO A 23 -3.035 6.273 4.472 1.00 10.00 C ATOM 345 CD PRO A 23 -3.445 7.266 3.390 1.00 10.00 C ATOM 0 HA PRO A 23 -1.592 9.135 5.227 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -1.290 6.428 5.760 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.657 7.379 6.305 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -2.518 5.415 4.041 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.907 5.887 5.001 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.396 6.804 2.404 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.474 7.595 3.538 1.00 10.00 H new ATOM 353 N LYS A 24 0.820 8.513 4.890 1.00 10.00 N ATOM 354 CA LYS A 24 2.151 8.737 4.326 1.00 10.00 C ATOM 355 C LYS A 24 2.864 7.424 3.971 1.00 10.00 C ATOM 356 O LYS A 24 2.858 6.477 4.761 1.00 10.00 O ATOM 357 CB LYS A 24 3.011 9.587 5.271 1.00 10.00 C ATOM 358 CG LYS A 24 2.363 10.940 5.593 1.00 10.00 C ATOM 359 CD LYS A 24 3.376 11.834 6.326 1.00 10.00 C ATOM 360 CE LYS A 24 2.807 13.227 6.628 1.00 10.00 C ATOM 361 NZ LYS A 24 1.703 13.169 7.609 1.00 10.00 N ATOM 0 H LYS A 24 0.730 8.725 5.884 1.00 10.00 H new ATOM 0 HA LYS A 24 2.012 9.286 3.395 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.179 9.038 6.198 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.988 9.754 4.818 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.033 11.425 4.674 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.478 10.793 6.212 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.673 11.355 7.259 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.276 11.935 5.719 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.601 13.868 7.012 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.449 13.681 5.704 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 0.841 13.567 7.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 1.531 12.180 7.880 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 1.960 13.719 8.453 1.00 10.00 H new ATOM 375 N SER A 25 3.532 7.373 2.810 1.00 10.00 N ATOM 376 CA SER A 25 4.382 6.240 2.418 1.00 10.00 C ATOM 377 C SER A 25 5.423 5.834 3.477 1.00 10.00 C ATOM 378 O SER A 25 5.850 4.687 3.496 1.00 10.00 O ATOM 379 CB SER A 25 5.062 6.521 1.072 1.00 10.00 C ATOM 380 OG SER A 25 4.109 6.383 0.036 1.00 10.00 O ATOM 0 H SER A 25 3.498 8.118 2.115 1.00 10.00 H new ATOM 0 HA SER A 25 3.712 5.385 2.322 1.00 10.00 H new ATOM 0 HB2 SER A 25 5.482 7.527 1.065 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.890 5.829 0.917 1.00 10.00 H new ATOM 0 HG SER A 25 4.536 6.563 -0.827 1.00 10.00 H new ATOM 386 N HIS A 26 5.838 6.755 4.350 1.00 10.00 N ATOM 387 CA HIS A 26 6.737 6.466 5.466 1.00 10.00 C ATOM 388 C HIS A 26 6.340 7.280 6.705 1.00 10.00 C ATOM 389 O HIS A 26 6.787 8.406 6.902 1.00 10.00 O ATOM 390 CB HIS A 26 8.202 6.669 5.043 1.00 10.00 C ATOM 391 CG HIS A 26 8.428 7.794 4.062 1.00 10.00 C ATOM 392 ND1 HIS A 26 8.668 7.633 2.717 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.356 9.140 4.311 1.00 10.00 C ATOM 394 CE1 HIS A 26 8.735 8.857 2.166 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.545 9.805 3.096 1.00 10.00 N ATOM 0 H HIS A 26 5.555 7.734 4.300 1.00 10.00 H new ATOM 0 HA HIS A 26 6.641 5.417 5.748 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.800 6.858 5.935 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.570 5.742 4.603 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.184 9.603 5.272 1.00 10.00 H new ATOM 0 HE1 HIS A 26 8.917 9.051 1.119 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.540 10.814 2.946 1.00 10.00 H new ATOM 403 N ASN A 27 5.484 6.699 7.547 1.00 10.00 N ATOM 404 CA ASN A 27 5.132 7.221 8.863 1.00 10.00 C ATOM 405 C ASN A 27 5.320 6.118 9.908 1.00 10.00 C ATOM 406 O ASN A 27 5.474 4.953 9.547 1.00 10.00 O ATOM 407 CB ASN A 27 3.661 7.681 8.837 1.00 10.00 C ATOM 408 CG ASN A 27 3.452 9.112 9.294 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.229 9.664 10.061 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.347 9.715 8.893 1.00 10.00 N ATOM 0 H ASN A 27 5.004 5.827 7.323 1.00 10.00 H new ATOM 0 HA ASN A 27 5.771 8.066 9.119 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.276 7.575 7.823 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.073 7.018 9.472 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.131 10.656 9.223 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.710 9.240 8.253 1.00 10.00 H new ATOM 417 N THR A 28 5.218 6.470 11.191 1.00 10.00 N ATOM 418 CA THR A 28 5.034 5.467 12.245 1.00 10.00 C ATOM 419 C THR A 28 3.592 5.474 12.761 1.00 10.00 C ATOM 420 O THR A 28 3.028 4.412 12.978 1.00 10.00 O ATOM 421 CB THR A 28 6.059 5.687 13.369 1.00 10.00 C ATOM 422 OG1 THR A 28 7.353 5.685 12.807 1.00 10.00 O ATOM 423 CG2 THR A 28 6.018 4.572 14.416 1.00 10.00 C ATOM 0 H THR A 28 5.259 7.433 11.525 1.00 10.00 H new ATOM 0 HA THR A 28 5.212 4.476 11.828 1.00 10.00 H new ATOM 0 HB THR A 28 5.817 6.634 13.852 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.017 5.826 13.514 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.760 4.772 15.189 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.026 4.532 14.866 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.239 3.617 13.939 1.00 10.00 H new ATOM 431 N ALA A 29 2.919 6.629 12.797 1.00 10.00 N ATOM 432 CA ALA A 29 1.565 6.724 13.351 1.00 10.00 C ATOM 433 C ALA A 29 0.476 6.141 12.435 1.00 10.00 C ATOM 434 O ALA A 29 -0.449 5.487 12.913 1.00 10.00 O ATOM 435 CB ALA A 29 1.268 8.180 13.699 1.00 10.00 C ATOM 0 H ALA A 29 3.291 7.512 12.448 1.00 10.00 H new ATOM 0 HA ALA A 29 1.540 6.109 14.250 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.262 8.258 14.112 1.00 10.00 H new ATOM 0 HB2 ALA A 29 1.990 8.533 14.435 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.339 8.791 12.799 1.00 10.00 H new ATOM 441 N ASP A 30 0.590 6.343 11.117 1.00 10.00 N ATOM 442 CA ASP A 30 -0.351 5.789 10.139 1.00 10.00 C ATOM 443 C ASP A 30 -0.236 4.251 10.106 1.00 10.00 C ATOM 444 O ASP A 30 -1.198 3.534 9.817 1.00 10.00 O ATOM 445 CB ASP A 30 -0.072 6.369 8.736 1.00 10.00 C ATOM 446 CG ASP A 30 -0.207 7.878 8.582 1.00 10.00 C ATOM 447 OD1 ASP A 30 -0.836 8.510 9.451 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.386 8.396 7.602 1.00 10.00 O ATOM 0 H ASP A 30 1.338 6.896 10.699 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.363 6.064 10.436 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.940 6.086 8.446 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.751 5.892 8.029 1.00 10.00 H new ATOM 453 N TRP A 31 0.981 3.767 10.379 1.00 10.00 N ATOM 454 CA TRP A 31 1.429 2.386 10.262 1.00 10.00 C ATOM 455 C TRP A 31 1.247 1.606 11.581 1.00 10.00 C ATOM 456 O TRP A 31 0.897 0.428 11.542 1.00 10.00 O ATOM 457 CB TRP A 31 2.882 2.408 9.754 1.00 10.00 C ATOM 458 CG TRP A 31 3.067 2.994 8.377 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.030 4.312 8.093 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.224 2.340 7.079 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.100 4.533 6.739 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.196 3.346 6.064 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.355 1.006 6.643 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.208 3.048 4.701 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.290 0.691 5.274 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.157 1.708 4.314 1.00 10.00 C ATOM 0 H TRP A 31 1.727 4.378 10.711 1.00 10.00 H new ATOM 0 HA TRP A 31 0.814 1.844 9.544 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.489 2.976 10.459 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.266 1.388 9.753 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.955 5.093 8.835 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.083 5.453 6.298 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.507 0.219 7.367 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.256 3.835 3.963 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.343 -0.340 4.958 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.015 1.452 3.274 1.00 10.00 H new ATOM 477 N GLU A 32 1.409 2.239 12.749 1.00 10.00 N ATOM 478 CA GLU A 32 1.170 1.631 14.068 1.00 10.00 C ATOM 479 C GLU A 32 -0.092 0.740 14.133 1.00 10.00 C ATOM 480 O GLU A 32 0.027 -0.470 14.332 1.00 10.00 O ATOM 481 CB GLU A 32 1.164 2.725 15.151 1.00 10.00 C ATOM 482 CG GLU A 32 2.532 2.868 15.834 1.00 10.00 C ATOM 483 CD GLU A 32 2.563 4.063 16.779 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.064 3.894 17.911 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.074 5.119 16.348 1.00 10.00 O ATOM 0 H GLU A 32 1.717 3.210 12.807 1.00 10.00 H new ATOM 0 HA GLU A 32 1.995 0.944 14.257 1.00 10.00 H new ATOM 0 HB2 GLU A 32 0.882 3.677 14.702 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.408 2.489 15.900 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.759 1.958 16.389 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.308 2.982 15.077 1.00 10.00 H new ATOM 492 N PRO A 33 -1.305 1.279 13.908 1.00 10.00 N ATOM 493 CA PRO A 33 -2.547 0.506 13.970 1.00 10.00 C ATOM 494 C PRO A 33 -2.729 -0.483 12.802 1.00 10.00 C ATOM 495 O PRO A 33 -3.798 -1.073 12.654 1.00 10.00 O ATOM 496 CB PRO A 33 -3.658 1.564 14.005 1.00 10.00 C ATOM 497 CG PRO A 33 -3.055 2.729 13.225 1.00 10.00 C ATOM 498 CD PRO A 33 -1.581 2.674 13.609 1.00 10.00 C ATOM 0 HA PRO A 33 -2.554 -0.143 14.846 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.575 1.201 13.541 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.909 1.850 15.026 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.197 2.611 12.151 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.509 3.680 13.504 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.951 3.032 12.795 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.377 3.307 14.472 1.00 10.00 H new ATOM 506 N ARG A 34 -1.699 -0.676 11.971 1.00 10.00 N ATOM 507 CA ARG A 34 -1.691 -1.550 10.804 1.00 10.00 C ATOM 508 C ARG A 34 -0.710 -2.713 11.071 1.00 10.00 C ATOM 509 O ARG A 34 -1.074 -3.889 11.019 1.00 10.00 O ATOM 510 CB ARG A 34 -1.326 -0.685 9.576 1.00 10.00 C ATOM 511 CG ARG A 34 -2.125 0.626 9.487 1.00 10.00 C ATOM 512 CD ARG A 34 -3.587 0.375 9.124 1.00 10.00 C ATOM 513 NE ARG A 34 -4.516 1.067 10.032 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.778 2.380 10.005 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.881 3.271 9.609 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.969 2.823 10.379 1.00 10.00 N ATOM 0 H ARG A 34 -0.806 -0.201 12.105 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.661 -2.005 10.604 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.262 -0.451 9.610 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.495 -1.266 8.669 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.072 1.150 10.442 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.672 1.278 8.740 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.767 0.707 8.102 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.787 -0.696 9.151 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.996 0.504 10.734 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.955 2.965 9.311 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -4.117 4.263 9.602 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.684 2.164 10.687 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.171 3.823 10.359 1.00 10.00 H new ATOM 530 N LEU A 35 0.515 -2.362 11.474 1.00 10.00 N ATOM 531 CA LEU A 35 1.580 -3.265 11.924 1.00 10.00 C ATOM 532 C LEU A 35 1.197 -4.013 13.217 1.00 10.00 C ATOM 533 O LEU A 35 1.736 -5.075 13.518 1.00 10.00 O ATOM 534 CB LEU A 35 2.860 -2.422 12.119 1.00 10.00 C ATOM 535 CG LEU A 35 4.166 -3.091 11.662 1.00 10.00 C ATOM 536 CD1 LEU A 35 5.329 -2.108 11.837 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.476 -4.383 12.419 1.00 10.00 C ATOM 0 H LEU A 35 0.807 -1.385 11.496 1.00 10.00 H new ATOM 0 HA LEU A 35 1.747 -4.037 11.173 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.743 -1.484 11.576 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.951 -2.170 13.176 1.00 10.00 H new ATOM 0 HG LEU A 35 4.037 -3.359 10.613 1.00 10.00 H new ATOM 0 HD11 LEU A 35 6.257 -2.580 11.513 1.00 10.00 H new ATOM 0 HD12 LEU A 35 5.146 -1.217 11.236 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.412 -1.826 12.887 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.410 -4.806 12.050 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.571 -4.167 13.483 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.668 -5.098 12.265 1.00 10.00 H new ATOM 549 N ALA A 36 0.245 -3.475 13.987 1.00 10.00 N ATOM 550 CA ALA A 36 -0.234 -4.067 15.229 1.00 10.00 C ATOM 551 C ALA A 36 -1.227 -5.190 14.926 1.00 10.00 C ATOM 552 O ALA A 36 -1.374 -6.129 15.704 1.00 10.00 O ATOM 553 CB ALA A 36 -0.889 -2.980 16.086 1.00 10.00 C ATOM 0 H ALA A 36 -0.220 -2.598 13.754 1.00 10.00 H new ATOM 0 HA ALA A 36 0.604 -4.495 15.779 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.249 -3.418 17.017 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.158 -2.203 16.310 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -1.727 -2.544 15.542 1.00 10.00 H new ATOM 559 N LYS A 37 -1.914 -5.079 13.784 1.00 10.00 N ATOM 560 CA LYS A 37 -2.803 -6.113 13.287 1.00 10.00 C ATOM 561 C LYS A 37 -1.985 -7.258 12.680 1.00 10.00 C ATOM 562 O LYS A 37 -2.142 -8.414 13.063 1.00 10.00 O ATOM 563 CB LYS A 37 -3.787 -5.493 12.284 1.00 10.00 C ATOM 564 CG LYS A 37 -4.788 -4.581 13.007 1.00 10.00 C ATOM 565 CD LYS A 37 -6.107 -5.330 13.251 1.00 10.00 C ATOM 566 CE LYS A 37 -6.805 -4.790 14.504 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.242 -5.137 14.516 1.00 10.00 N ATOM 0 H LYS A 37 -1.862 -4.259 13.180 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.387 -6.539 14.103 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.240 -4.921 11.535 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.321 -6.282 11.755 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -4.369 -4.249 13.957 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.973 -3.687 12.411 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.761 -5.219 12.386 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.911 -6.396 13.367 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.324 -5.197 15.394 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.691 -3.707 14.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.684 -4.757 15.377 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.705 -4.728 13.680 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.350 -6.171 14.500 1.00 10.00 H new ATOM 581 N GLY A 38 -1.108 -6.921 11.731 1.00 10.00 N ATOM 582 CA GLY A 38 -0.193 -7.875 11.105 1.00 10.00 C ATOM 583 C GLY A 38 0.368 -7.323 9.793 1.00 10.00 C ATOM 584 O GLY A 38 1.082 -6.325 9.801 1.00 10.00 O ATOM 0 H GLY A 38 -1.013 -5.970 11.374 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.626 -8.099 11.788 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.715 -8.813 10.915 1.00 10.00 H new ATOM 588 N VAL A 39 0.007 -7.949 8.668 1.00 10.00 N ATOM 589 CA VAL A 39 0.394 -7.515 7.324 1.00 10.00 C ATOM 590 C VAL A 39 -0.738 -7.768 6.332 1.00 10.00 C ATOM 591 O VAL A 39 -1.297 -6.846 5.730 1.00 10.00 O ATOM 592 CB VAL A 39 1.686 -8.218 6.851 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.790 -7.175 6.760 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.174 -9.365 7.747 1.00 10.00 C ATOM 0 H VAL A 39 -0.574 -8.788 8.667 1.00 10.00 H new ATOM 0 HA VAL A 39 0.592 -6.444 7.369 1.00 10.00 H new ATOM 0 HB VAL A 39 1.446 -8.673 5.890 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.713 -7.650 6.427 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.502 -6.402 6.047 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.947 -6.725 7.740 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.086 -9.791 7.328 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.378 -8.984 8.747 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.405 -10.136 7.802 1.00 10.00 H new ATOM 604 N ASP A 40 -1.150 -9.032 6.233 1.00 10.00 N ATOM 605 CA ASP A 40 -2.133 -9.541 5.285 1.00 10.00 C ATOM 606 C ASP A 40 -3.545 -8.947 5.482 1.00 10.00 C ATOM 607 O ASP A 40 -4.489 -9.370 4.820 1.00 10.00 O ATOM 608 CB ASP A 40 -2.159 -11.081 5.379 1.00 10.00 C ATOM 609 CG ASP A 40 -0.807 -11.720 5.667 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.319 -11.474 6.793 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.285 -12.415 4.772 1.00 10.00 O ATOM 0 H ASP A 40 -0.787 -9.763 6.844 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.828 -9.227 4.287 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.859 -11.373 6.162 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.544 -11.483 4.442 1.00 10.00 H new ATOM 616 N ASN A 41 -3.698 -7.957 6.373 1.00 10.00 N ATOM 617 CA ASN A 41 -4.962 -7.305 6.707 1.00 10.00 C ATOM 618 C ASN A 41 -5.166 -6.052 5.854 1.00 10.00 C ATOM 619 O ASN A 41 -6.277 -5.533 5.786 1.00 10.00 O ATOM 620 CB ASN A 41 -4.986 -6.858 8.186 1.00 10.00 C ATOM 621 CG ASN A 41 -3.915 -7.479 9.062 1.00 10.00 C ATOM 622 OD1 ASN A 41 -2.870 -6.718 9.350 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.015 -8.616 9.499 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.911 -7.577 6.899 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.750 -8.034 6.519 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.881 -5.774 8.224 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.962 -7.099 8.607 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.829 -9.183 9.263 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.284 -8.998 10.099 1.00 10.00 H new ATOM 630 N LEU A 42 -4.087 -5.542 5.252 1.00 10.00 N ATOM 631 CA LEU A 42 -4.100 -4.321 4.461 1.00 10.00 C ATOM 632 C LEU A 42 -3.992 -4.635 2.970 1.00 10.00 C ATOM 633 O LEU A 42 -4.733 -4.061 2.172 1.00 10.00 O ATOM 634 CB LEU A 42 -2.959 -3.418 4.927 1.00 10.00 C ATOM 635 CG LEU A 42 -3.195 -2.681 6.262 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.631 -2.154 6.404 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.825 -3.541 7.474 1.00 10.00 C ATOM 0 H LEU A 42 -3.167 -5.979 5.306 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.047 -3.801 4.607 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.057 -4.022 5.021 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.767 -2.676 4.152 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.527 -1.820 6.239 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.739 -1.645 7.362 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.844 -1.455 5.595 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.331 -2.988 6.356 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.009 -2.978 8.389 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.432 -4.446 7.477 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.770 -3.811 7.420 1.00 10.00 H new ATOM 649 N VAL A 43 -3.145 -5.600 2.592 1.00 10.00 N ATOM 650 CA VAL A 43 -3.108 -6.109 1.219 1.00 10.00 C ATOM 651 C VAL A 43 -4.520 -6.525 0.758 1.00 10.00 C ATOM 652 O VAL A 43 -4.915 -6.280 -0.385 1.00 10.00 O ATOM 653 CB VAL A 43 -2.045 -7.219 1.086 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.559 -8.593 1.524 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.498 -7.320 -0.345 1.00 10.00 C ATOM 0 H VAL A 43 -2.475 -6.044 3.221 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.798 -5.317 0.537 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.240 -6.926 1.760 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.766 -9.332 1.407 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.865 -8.551 2.569 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.412 -8.876 0.907 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.752 -8.114 -0.394 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.314 -7.546 -1.031 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -1.039 -6.373 -0.627 1.00 10.00 H new ATOM 665 N LYS A 44 -5.340 -7.061 1.680 1.00 10.00 N ATOM 666 CA LYS A 44 -6.747 -7.301 1.380 1.00 10.00 C ATOM 667 C LYS A 44 -7.542 -6.021 1.061 1.00 10.00 C ATOM 668 O LYS A 44 -8.293 -5.985 0.091 1.00 10.00 O ATOM 669 CB LYS A 44 -7.436 -8.162 2.442 1.00 10.00 C ATOM 670 CG LYS A 44 -7.231 -7.610 3.849 1.00 10.00 C ATOM 671 CD LYS A 44 -8.434 -7.846 4.764 1.00 10.00 C ATOM 672 CE LYS A 44 -9.387 -6.654 4.634 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.673 -6.908 5.314 1.00 10.00 N ATOM 0 H LYS A 44 -5.051 -7.329 2.621 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.745 -7.879 0.456 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.503 -8.218 2.227 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.047 -9.179 2.392 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.349 -8.074 4.291 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.032 -6.540 3.788 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.943 -8.770 4.489 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.107 -7.958 5.798 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -8.919 -5.766 5.059 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.568 -6.445 3.579 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.293 -6.080 5.205 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.131 -7.741 4.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.503 -7.082 6.325 1.00 10.00 H new ATOM 687 N SER A 45 -7.397 -4.957 1.856 1.00 10.00 N ATOM 688 CA SER A 45 -8.129 -3.714 1.624 1.00 10.00 C ATOM 689 C SER A 45 -7.655 -3.053 0.327 1.00 10.00 C ATOM 690 O SER A 45 -8.441 -2.452 -0.403 1.00 10.00 O ATOM 691 CB SER A 45 -7.979 -2.785 2.830 1.00 10.00 C ATOM 692 OG SER A 45 -8.527 -3.420 3.973 1.00 10.00 O ATOM 0 H SER A 45 -6.778 -4.934 2.666 1.00 10.00 H new ATOM 0 HA SER A 45 -9.190 -3.934 1.507 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.927 -2.552 2.997 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.489 -1.840 2.643 1.00 10.00 H new ATOM 0 HG SER A 45 -8.433 -2.831 4.751 1.00 10.00 H new ATOM 698 N VAL A 46 -6.372 -3.222 0.004 1.00 10.00 N ATOM 699 CA VAL A 46 -5.818 -2.793 -1.264 1.00 10.00 C ATOM 700 C VAL A 46 -6.549 -3.455 -2.434 1.00 10.00 C ATOM 701 O VAL A 46 -7.150 -2.765 -3.256 1.00 10.00 O ATOM 702 CB VAL A 46 -4.303 -2.997 -1.243 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.650 -2.962 -2.622 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.634 -1.985 -0.320 1.00 10.00 C ATOM 0 H VAL A 46 -5.692 -3.663 0.623 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.980 -1.726 -1.418 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.150 -4.006 -0.860 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.576 -3.114 -2.520 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.071 -3.752 -3.244 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.836 -1.995 -3.088 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.556 -2.149 -0.321 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.848 -0.975 -0.671 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.019 -2.106 0.693 1.00 10.00 H new ATOM 714 N LYS A 47 -6.567 -4.790 -2.480 1.00 10.00 N ATOM 715 CA LYS A 47 -7.311 -5.529 -3.505 1.00 10.00 C ATOM 716 C LYS A 47 -8.803 -5.161 -3.537 1.00 10.00 C ATOM 717 O LYS A 47 -9.415 -5.146 -4.602 1.00 10.00 O ATOM 718 CB LYS A 47 -7.023 -7.028 -3.364 1.00 10.00 C ATOM 719 CG LYS A 47 -8.096 -7.822 -2.604 1.00 10.00 C ATOM 720 CD LYS A 47 -7.464 -8.960 -1.796 1.00 10.00 C ATOM 721 CE LYS A 47 -7.563 -10.330 -2.474 1.00 10.00 C ATOM 722 NZ LYS A 47 -8.949 -10.848 -2.431 1.00 10.00 N ATOM 0 H LYS A 47 -6.072 -5.384 -1.815 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.958 -5.229 -4.492 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.911 -7.457 -4.360 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -6.068 -7.154 -2.853 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.642 -7.156 -1.936 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.820 -8.230 -3.309 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.414 -8.728 -1.619 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.947 -9.012 -0.820 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.233 -10.251 -3.510 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.893 -11.033 -1.979 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -8.972 -11.812 -2.821 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -9.283 -10.865 -1.446 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.568 -10.232 -2.996 1.00 10.00 H new ATOM 736 N THR A 48 -9.371 -4.808 -2.378 1.00 10.00 N ATOM 737 CA THR A 48 -10.782 -4.418 -2.269 1.00 10.00 C ATOM 738 C THR A 48 -11.050 -3.041 -2.891 1.00 10.00 C ATOM 739 O THR A 48 -12.135 -2.813 -3.418 1.00 10.00 O ATOM 740 CB THR A 48 -11.256 -4.487 -0.796 1.00 10.00 C ATOM 741 OG1 THR A 48 -12.347 -5.374 -0.685 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.693 -3.161 -0.160 1.00 10.00 C ATOM 0 H THR A 48 -8.867 -4.785 -1.491 1.00 10.00 H new ATOM 0 HA THR A 48 -11.368 -5.134 -2.844 1.00 10.00 H new ATOM 0 HB THR A 48 -10.369 -4.817 -0.256 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.642 -5.415 0.249 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.003 -3.336 0.870 1.00 10.00 H new ATOM 0 HG22 THR A 48 -10.860 -2.459 -0.174 1.00 10.00 H new ATOM 0 HG23 THR A 48 -12.528 -2.745 -0.724 1.00 10.00 H new ATOM 750 N GLY A 49 -10.077 -2.120 -2.842 1.00 10.00 N ATOM 751 CA GLY A 49 -10.277 -0.748 -3.302 1.00 10.00 C ATOM 752 C GLY A 49 -11.023 0.090 -2.259 1.00 10.00 C ATOM 753 O GLY A 49 -12.250 0.083 -2.191 1.00 10.00 O ATOM 0 H GLY A 49 -9.140 -2.307 -2.485 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.311 -0.290 -3.515 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.840 -0.754 -4.235 1.00 10.00 H new ATOM 757 N LEU A 50 -10.275 0.806 -1.417 1.00 10.00 N ATOM 758 CA LEU A 50 -10.841 1.718 -0.425 1.00 10.00 C ATOM 759 C LEU A 50 -11.608 2.869 -1.096 1.00 10.00 C ATOM 760 O LEU A 50 -11.511 3.093 -2.295 1.00 10.00 O ATOM 761 CB LEU A 50 -9.696 2.237 0.458 1.00 10.00 C ATOM 762 CG LEU A 50 -10.018 2.620 1.908 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.531 1.430 2.728 1.00 10.00 C ATOM 764 CD2 LEU A 50 -8.718 3.120 2.543 1.00 10.00 C ATOM 0 H LEU A 50 -9.256 0.768 -1.405 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.566 1.189 0.193 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.919 1.473 0.480 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.268 3.112 -0.031 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.802 3.377 1.903 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.744 1.755 3.746 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -11.442 1.040 2.273 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -9.772 0.648 2.748 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -8.905 3.404 3.579 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -7.970 2.328 2.513 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -8.352 3.985 1.990 1.00 10.00 H new ATOM 776 N ASN A 51 -12.359 3.638 -0.316 1.00 10.00 N ATOM 777 CA ASN A 51 -13.297 4.658 -0.813 1.00 10.00 C ATOM 778 C ASN A 51 -12.676 5.582 -1.863 1.00 10.00 C ATOM 779 O ASN A 51 -13.151 5.704 -2.989 1.00 10.00 O ATOM 780 CB ASN A 51 -13.834 5.506 0.351 1.00 10.00 C ATOM 781 CG ASN A 51 -14.177 4.613 1.524 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.178 4.385 2.363 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.252 4.040 1.615 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.338 3.575 0.702 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.111 4.115 -1.293 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.088 6.243 0.650 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.718 6.058 0.032 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.997 4.244 0.948 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.405 3.358 2.358 1.00 10.00 H new ATOM 790 N ALA A 52 -11.590 6.229 -1.447 1.00 10.00 N ATOM 791 CA ALA A 52 -10.747 7.079 -2.273 1.00 10.00 C ATOM 792 C ALA A 52 -9.517 6.330 -2.827 1.00 10.00 C ATOM 793 O ALA A 52 -8.536 6.977 -3.194 1.00 10.00 O ATOM 794 CB ALA A 52 -10.357 8.296 -1.426 1.00 10.00 C ATOM 0 H ALA A 52 -11.262 6.170 -0.483 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.296 7.400 -3.158 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.722 8.960 -2.013 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.257 8.831 -1.121 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.815 7.964 -0.541 1.00 10.00 H new ATOM 800 N MET A 53 -9.557 4.988 -2.896 1.00 10.00 N ATOM 801 CA MET A 53 -8.478 4.188 -3.498 1.00 10.00 C ATOM 802 C MET A 53 -8.952 3.200 -4.597 1.00 10.00 C ATOM 803 O MET A 53 -9.851 2.397 -4.358 1.00 10.00 O ATOM 804 CB MET A 53 -7.718 3.456 -2.382 1.00 10.00 C ATOM 805 CG MET A 53 -6.409 2.891 -2.936 1.00 10.00 C ATOM 806 SD MET A 53 -5.212 2.113 -1.819 1.00 10.00 S ATOM 807 CE MET A 53 -6.202 0.797 -1.103 1.00 10.00 C ATOM 0 H MET A 53 -10.333 4.431 -2.538 1.00 10.00 H new ATOM 0 HA MET A 53 -7.817 4.881 -4.018 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.511 4.141 -1.560 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.331 2.650 -1.979 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.670 2.154 -3.695 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.895 3.706 -3.446 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.592 0.220 -0.407 1.00 10.00 H new ATOM 0 HE2 MET A 53 -7.050 1.228 -0.571 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.565 0.143 -1.895 1.00 10.00 H new ATOM 817 N PRO A 54 -8.332 3.177 -5.795 1.00 10.00 N ATOM 818 CA PRO A 54 -8.696 2.231 -6.850 1.00 10.00 C ATOM 819 C PRO A 54 -8.446 0.771 -6.432 1.00 10.00 C ATOM 820 O PRO A 54 -7.633 0.505 -5.540 1.00 10.00 O ATOM 821 CB PRO A 54 -7.854 2.630 -8.071 1.00 10.00 C ATOM 822 CG PRO A 54 -6.643 3.322 -7.455 1.00 10.00 C ATOM 823 CD PRO A 54 -7.237 4.023 -6.239 1.00 10.00 C ATOM 0 HA PRO A 54 -9.763 2.278 -7.070 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.563 1.760 -8.660 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.402 3.297 -8.737 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.869 2.608 -7.172 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.186 4.030 -8.147 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.491 4.143 -5.453 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.592 5.021 -6.497 1.00 10.00 H new ATOM 831 N PRO A 55 -9.126 -0.192 -7.078 1.00 10.00 N ATOM 832 CA PRO A 55 -8.982 -1.604 -6.760 1.00 10.00 C ATOM 833 C PRO A 55 -7.526 -2.042 -6.939 1.00 10.00 C ATOM 834 O PRO A 55 -6.840 -1.625 -7.874 1.00 10.00 O ATOM 835 CB PRO A 55 -9.955 -2.341 -7.688 1.00 10.00 C ATOM 836 CG PRO A 55 -10.084 -1.398 -8.883 1.00 10.00 C ATOM 837 CD PRO A 55 -9.991 -0.016 -8.236 1.00 10.00 C ATOM 0 HA PRO A 55 -9.222 -1.829 -5.721 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -9.568 -3.316 -7.985 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -10.917 -2.514 -7.206 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.289 -1.558 -9.612 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.030 -1.536 -9.407 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.576 0.716 -8.929 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -10.975 0.347 -7.940 1.00 10.00 H new ATOM 845 N GLY A 56 -7.010 -2.812 -5.978 1.00 10.00 N ATOM 846 CA GLY A 56 -5.605 -3.189 -5.973 1.00 10.00 C ATOM 847 C GLY A 56 -4.651 -2.016 -5.756 1.00 10.00 C ATOM 848 O GLY A 56 -3.459 -2.137 -6.028 1.00 10.00 O ATOM 0 H GLY A 56 -7.549 -3.184 -5.196 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.440 -3.929 -5.190 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.364 -3.670 -6.921 1.00 10.00 H new ATOM 852 N GLY A 57 -5.147 -0.869 -5.276 1.00 10.00 N ATOM 853 CA GLY A 57 -4.328 0.325 -5.106 1.00 10.00 C ATOM 854 C GLY A 57 -3.633 0.744 -6.408 1.00 10.00 C ATOM 855 O GLY A 57 -2.512 1.243 -6.372 1.00 10.00 O ATOM 0 H GLY A 57 -6.121 -0.748 -4.998 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.953 1.144 -4.750 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.576 0.141 -4.338 1.00 10.00 H new ATOM 859 N MET A 58 -4.308 0.536 -7.546 1.00 10.00 N ATOM 860 CA MET A 58 -3.818 0.782 -8.903 1.00 10.00 C ATOM 861 C MET A 58 -2.856 -0.322 -9.394 1.00 10.00 C ATOM 862 O MET A 58 -1.825 -0.056 -10.011 1.00 10.00 O ATOM 863 CB MET A 58 -3.255 2.208 -9.049 1.00 10.00 C ATOM 864 CG MET A 58 -3.217 2.639 -10.523 1.00 10.00 C ATOM 865 SD MET A 58 -1.639 3.288 -11.126 1.00 10.00 S ATOM 866 CE MET A 58 -2.030 3.386 -12.881 1.00 10.00 C ATOM 0 H MET A 58 -5.261 0.172 -7.541 1.00 10.00 H new ATOM 0 HA MET A 58 -4.673 0.726 -9.576 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.869 2.905 -8.479 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.250 2.251 -8.628 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.492 1.782 -11.138 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.982 3.400 -10.677 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.167 3.770 -13.425 1.00 10.00 H new ATOM 0 HE2 MET A 58 -2.282 2.393 -13.254 1.00 10.00 H new ATOM 0 HE3 MET A 58 -2.878 4.054 -13.028 1.00 10.00 H new ATOM 876 N CYS A 59 -3.233 -1.581 -9.158 1.00 10.00 N ATOM 877 CA CYS A 59 -2.565 -2.771 -9.683 1.00 10.00 C ATOM 878 C CYS A 59 -3.322 -3.334 -10.900 1.00 10.00 C ATOM 879 O CYS A 59 -4.539 -3.192 -10.997 1.00 10.00 O ATOM 880 CB CYS A 59 -2.511 -3.822 -8.569 1.00 10.00 C ATOM 881 SG CYS A 59 -2.083 -5.486 -9.125 1.00 10.00 S ATOM 0 H CYS A 59 -4.040 -1.806 -8.576 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.558 -2.509 -10.009 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -1.783 -3.504 -7.823 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -3.481 -3.857 -8.073 1.00 10.00 H new ATOM 886 N THR A 60 -2.600 -4.003 -11.803 1.00 10.00 N ATOM 887 CA THR A 60 -3.168 -4.880 -12.828 1.00 10.00 C ATOM 888 C THR A 60 -2.857 -6.346 -12.500 1.00 10.00 C ATOM 889 O THR A 60 -3.616 -7.016 -11.802 1.00 10.00 O ATOM 890 CB THR A 60 -2.622 -4.476 -14.209 1.00 10.00 C ATOM 891 OG1 THR A 60 -1.204 -4.412 -14.181 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.132 -3.094 -14.614 1.00 10.00 C ATOM 0 H THR A 60 -1.582 -3.948 -11.842 1.00 10.00 H new ATOM 0 HA THR A 60 -4.252 -4.772 -12.847 1.00 10.00 H new ATOM 0 HB THR A 60 -2.961 -5.227 -14.922 1.00 10.00 H new ATOM 0 HG1 THR A 60 -0.871 -4.156 -15.066 1.00 10.00 H new ATOM 0 HG21 THR A 60 -2.732 -2.831 -15.593 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.221 -3.107 -14.658 1.00 10.00 H new ATOM 0 HG23 THR A 60 -2.807 -2.357 -13.880 1.00 10.00 H new ATOM 900 N ASP A 61 -1.706 -6.821 -12.968 1.00 10.00 N ATOM 901 CA ASP A 61 -1.230 -8.184 -12.863 1.00 10.00 C ATOM 902 C ASP A 61 -0.116 -8.219 -11.815 1.00 10.00 C ATOM 903 O ASP A 61 1.065 -8.273 -12.149 1.00 10.00 O ATOM 904 CB ASP A 61 -0.762 -8.638 -14.254 1.00 10.00 C ATOM 905 CG ASP A 61 -1.922 -8.801 -15.223 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.432 -7.752 -15.677 1.00 10.00 O ATOM 907 OD2 ASP A 61 -2.264 -9.970 -15.494 1.00 10.00 O ATOM 0 H ASP A 61 -1.044 -6.221 -13.460 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.009 -8.874 -12.539 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.056 -7.910 -14.654 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.229 -9.584 -14.165 1.00 10.00 H new ATOM 912 N CYS A 62 -0.505 -8.136 -10.541 1.00 10.00 N ATOM 913 CA CYS A 62 0.389 -8.266 -9.394 1.00 10.00 C ATOM 914 C CYS A 62 -0.106 -9.371 -8.448 1.00 10.00 C ATOM 915 O CYS A 62 -1.305 -9.477 -8.196 1.00 10.00 O ATOM 916 CB CYS A 62 0.516 -6.934 -8.638 1.00 10.00 C ATOM 917 SG CYS A 62 -0.010 -5.427 -9.484 1.00 10.00 S ATOM 0 H CYS A 62 -1.476 -7.972 -10.274 1.00 10.00 H new ATOM 0 HA CYS A 62 1.376 -8.540 -9.767 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.059 -7.017 -7.715 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.561 -6.810 -8.353 1.00 10.00 H new ATOM 922 N THR A 63 0.824 -10.166 -7.912 1.00 10.00 N ATOM 923 CA THR A 63 0.551 -11.265 -6.981 1.00 10.00 C ATOM 924 C THR A 63 1.093 -10.924 -5.588 1.00 10.00 C ATOM 925 O THR A 63 2.046 -10.152 -5.467 1.00 10.00 O ATOM 926 CB THR A 63 1.180 -12.558 -7.531 1.00 10.00 C ATOM 927 OG1 THR A 63 0.621 -12.849 -8.793 1.00 10.00 O ATOM 928 CG2 THR A 63 0.939 -13.777 -6.637 1.00 10.00 C ATOM 0 H THR A 63 1.817 -10.060 -8.120 1.00 10.00 H new ATOM 0 HA THR A 63 -0.524 -11.415 -6.886 1.00 10.00 H new ATOM 0 HB THR A 63 2.254 -12.376 -7.583 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.021 -13.671 -9.146 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.409 -14.654 -7.083 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.369 -13.596 -5.652 1.00 10.00 H new ATOM 0 HG23 THR A 63 -0.133 -13.950 -6.539 1.00 10.00 H new ATOM 936 N ASP A 64 0.493 -11.495 -4.537 1.00 10.00 N ATOM 937 CA ASP A 64 0.873 -11.385 -3.137 1.00 10.00 C ATOM 938 C ASP A 64 2.384 -11.285 -2.893 1.00 10.00 C ATOM 939 O ASP A 64 2.807 -10.425 -2.135 1.00 10.00 O ATOM 940 CB ASP A 64 0.214 -12.546 -2.395 1.00 10.00 C ATOM 941 CG ASP A 64 -1.261 -12.266 -2.154 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.943 -11.967 -3.158 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.667 -12.339 -0.975 1.00 10.00 O ATOM 0 H ASP A 64 -0.329 -12.087 -4.659 1.00 10.00 H new ATOM 0 HA ASP A 64 0.512 -10.434 -2.745 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.325 -13.463 -2.974 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.718 -12.708 -1.442 1.00 10.00 H new ATOM 948 N GLU A 65 3.208 -12.107 -3.548 1.00 10.00 N ATOM 949 CA GLU A 65 4.665 -11.973 -3.543 1.00 10.00 C ATOM 950 C GLU A 65 5.151 -10.508 -3.661 1.00 10.00 C ATOM 951 O GLU A 65 5.825 -10.010 -2.758 1.00 10.00 O ATOM 952 CB GLU A 65 5.241 -12.907 -4.619 1.00 10.00 C ATOM 953 CG GLU A 65 4.784 -12.545 -6.044 1.00 10.00 C ATOM 954 CD GLU A 65 4.869 -13.726 -7.001 1.00 10.00 C ATOM 955 OE1 GLU A 65 3.906 -14.521 -6.980 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.876 -13.806 -7.733 1.00 10.00 O ATOM 0 H GLU A 65 2.876 -12.895 -4.104 1.00 10.00 H new ATOM 0 HA GLU A 65 5.048 -12.281 -2.570 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.330 -12.874 -4.574 1.00 10.00 H new ATOM 0 HB3 GLU A 65 4.943 -13.932 -4.398 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.757 -12.181 -6.011 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.399 -11.729 -6.423 1.00 10.00 H new ATOM 963 N ASP A 66 4.742 -9.803 -4.721 1.00 10.00 N ATOM 964 CA ASP A 66 5.027 -8.390 -4.947 1.00 10.00 C ATOM 965 C ASP A 66 4.097 -7.461 -4.149 1.00 10.00 C ATOM 966 O ASP A 66 4.559 -6.489 -3.556 1.00 10.00 O ATOM 967 CB ASP A 66 5.054 -8.083 -6.459 1.00 10.00 C ATOM 968 CG ASP A 66 6.466 -7.913 -7.001 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.333 -8.731 -6.632 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.649 -6.929 -7.749 1.00 10.00 O ATOM 0 H ASP A 66 4.185 -10.218 -5.468 1.00 10.00 H new ATOM 0 HA ASP A 66 6.023 -8.180 -4.558 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.558 -8.890 -6.998 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.484 -7.174 -6.651 1.00 10.00 H new ATOM 975 N TYR A 67 2.794 -7.750 -4.089 1.00 10.00 N ATOM 976 CA TYR A 67 1.826 -6.934 -3.353 1.00 10.00 C ATOM 977 C TYR A 67 2.227 -6.751 -1.880 1.00 10.00 C ATOM 978 O TYR A 67 2.221 -5.643 -1.345 1.00 10.00 O ATOM 979 CB TYR A 67 0.452 -7.613 -3.448 1.00 10.00 C ATOM 980 CG TYR A 67 -0.546 -7.013 -4.410 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.955 -5.676 -4.252 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.256 -7.865 -5.276 1.00 10.00 C ATOM 983 CE1 TYR A 67 -2.066 -5.195 -4.964 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.383 -7.389 -5.964 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.800 -6.065 -5.783 1.00 10.00 C ATOM 986 OH TYR A 67 -3.958 -5.653 -6.358 1.00 10.00 O ATOM 0 H TYR A 67 2.380 -8.559 -4.551 1.00 10.00 H new ATOM 0 HA TYR A 67 1.795 -5.939 -3.798 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.608 -8.655 -3.728 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.005 -7.614 -2.454 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.415 -5.021 -3.584 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -0.933 -8.887 -5.411 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.354 -4.158 -4.881 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -2.927 -8.042 -6.631 1.00 10.00 H new ATOM 0 HH TYR A 67 -4.335 -6.382 -6.893 1.00 10.00 H new ATOM 996 N LYS A 68 2.591 -7.852 -1.222 1.00 10.00 N ATOM 997 CA LYS A 68 3.016 -7.860 0.166 1.00 10.00 C ATOM 998 C LYS A 68 4.358 -7.153 0.262 1.00 10.00 C ATOM 999 O LYS A 68 4.472 -6.190 1.003 1.00 10.00 O ATOM 1000 CB LYS A 68 3.009 -9.277 0.770 1.00 10.00 C ATOM 1001 CG LYS A 68 4.269 -10.124 0.524 1.00 10.00 C ATOM 1002 CD LYS A 68 4.074 -11.545 1.077 1.00 10.00 C ATOM 1003 CE LYS A 68 5.007 -11.814 2.266 1.00 10.00 C ATOM 1004 NZ LYS A 68 6.419 -11.915 1.841 1.00 10.00 N ATOM 0 H LYS A 68 2.597 -8.777 -1.652 1.00 10.00 H new ATOM 0 HA LYS A 68 2.300 -7.311 0.778 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.859 -9.190 1.846 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.150 -9.816 0.370 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.483 -10.168 -0.544 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.129 -9.655 1.002 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.038 -11.677 1.388 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.266 -12.274 0.289 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.904 -11.013 2.998 1.00 10.00 H new ATOM 0 HE3 LYS A 68 4.709 -12.738 2.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 6.891 -12.669 2.380 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 6.461 -12.137 0.826 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 6.900 -11.010 2.018 1.00 10.00 H new ATOM 1018 N ALA A 69 5.341 -7.556 -0.551 1.00 10.00 N ATOM 1019 CA ALA A 69 6.651 -6.919 -0.593 1.00 10.00 C ATOM 1020 C ALA A 69 6.555 -5.396 -0.777 1.00 10.00 C ATOM 1021 O ALA A 69 7.354 -4.647 -0.222 1.00 10.00 O ATOM 1022 CB ALA A 69 7.487 -7.571 -1.689 1.00 10.00 C ATOM 0 H ALA A 69 5.244 -8.337 -1.199 1.00 10.00 H new ATOM 0 HA ALA A 69 7.142 -7.069 0.369 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.469 -7.100 -1.727 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.603 -8.634 -1.475 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.988 -7.447 -2.650 1.00 10.00 H new ATOM 1028 N ALA A 70 5.559 -4.931 -1.536 1.00 10.00 N ATOM 1029 CA ALA A 70 5.318 -3.514 -1.780 1.00 10.00 C ATOM 1030 C ALA A 70 4.955 -2.817 -0.469 1.00 10.00 C ATOM 1031 O ALA A 70 5.575 -1.828 -0.106 1.00 10.00 O ATOM 1032 CB ALA A 70 4.245 -3.333 -2.859 1.00 10.00 C ATOM 0 H ALA A 70 4.889 -5.542 -2.004 1.00 10.00 H new ATOM 0 HA ALA A 70 6.227 -3.046 -2.158 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.076 -2.270 -3.030 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.578 -3.801 -3.785 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.316 -3.799 -2.530 1.00 10.00 H new ATOM 1038 N ILE A 71 3.999 -3.372 0.276 1.00 10.00 N ATOM 1039 CA ILE A 71 3.638 -2.920 1.625 1.00 10.00 C ATOM 1040 C ILE A 71 4.817 -3.067 2.619 1.00 10.00 C ATOM 1041 O ILE A 71 5.121 -2.162 3.401 1.00 10.00 O ATOM 1042 CB ILE A 71 2.367 -3.694 2.031 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.127 -3.063 1.387 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.210 -3.840 3.545 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.024 -4.087 1.118 1.00 10.00 C ATOM 0 H ILE A 71 3.442 -4.164 -0.045 1.00 10.00 H new ATOM 0 HA ILE A 71 3.422 -1.852 1.642 1.00 10.00 H new ATOM 0 HB ILE A 71 2.476 -4.709 1.650 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.741 -2.280 2.040 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.411 -2.585 0.450 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.297 -4.393 3.764 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.067 -4.379 3.949 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.154 -2.852 4.002 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.831 -3.589 0.662 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.399 -4.856 0.443 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.283 -4.547 2.058 1.00 10.00 H new ATOM 1057 N GLU A 72 5.514 -4.207 2.573 1.00 10.00 N ATOM 1058 CA GLU A 72 6.715 -4.495 3.355 1.00 10.00 C ATOM 1059 C GLU A 72 7.816 -3.461 3.112 1.00 10.00 C ATOM 1060 O GLU A 72 8.482 -3.065 4.068 1.00 10.00 O ATOM 1061 CB GLU A 72 7.199 -5.948 3.186 1.00 10.00 C ATOM 1062 CG GLU A 72 6.204 -7.006 3.714 1.00 10.00 C ATOM 1063 CD GLU A 72 6.754 -8.438 3.738 1.00 10.00 C ATOM 1064 OE1 GLU A 72 6.759 -9.106 2.675 1.00 10.00 O ATOM 1065 OE2 GLU A 72 7.134 -8.867 4.849 1.00 10.00 O ATOM 0 H GLU A 72 5.245 -4.982 1.967 1.00 10.00 H new ATOM 0 HA GLU A 72 6.438 -4.403 4.405 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.388 -6.137 2.129 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.150 -6.067 3.706 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.901 -6.730 4.724 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.307 -6.985 3.095 1.00 10.00 H new ATOM 1072 N PHE A 73 7.975 -2.985 1.870 1.00 10.00 N ATOM 1073 CA PHE A 73 8.951 -1.949 1.536 1.00 10.00 C ATOM 1074 C PHE A 73 8.871 -0.740 2.481 1.00 10.00 C ATOM 1075 O PHE A 73 9.896 -0.218 2.909 1.00 10.00 O ATOM 1076 CB PHE A 73 8.767 -1.511 0.078 1.00 10.00 C ATOM 1077 CG PHE A 73 9.809 -0.522 -0.402 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.680 0.845 -0.095 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.922 -0.970 -1.136 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.669 1.758 -0.502 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.893 -0.052 -1.574 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.759 1.313 -1.272 1.00 10.00 C ATOM 0 H PHE A 73 7.429 -3.309 1.072 1.00 10.00 H new ATOM 0 HA PHE A 73 9.944 -2.379 1.663 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.795 -2.393 -0.562 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.778 -1.066 -0.035 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.819 1.194 0.455 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.031 -2.020 -1.363 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.592 2.799 -0.224 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.743 -0.397 -2.144 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.492 2.020 -1.631 1.00 10.00 H new ATOM 1092 N MET A 74 7.653 -0.283 2.797 1.00 10.00 N ATOM 1093 CA MET A 74 7.465 0.854 3.690 1.00 10.00 C ATOM 1094 C MET A 74 7.762 0.467 5.148 1.00 10.00 C ATOM 1095 O MET A 74 8.735 0.937 5.734 1.00 10.00 O ATOM 1096 CB MET A 74 6.036 1.396 3.571 1.00 10.00 C ATOM 1097 CG MET A 74 5.668 2.015 2.210 1.00 10.00 C ATOM 1098 SD MET A 74 5.113 0.851 0.942 1.00 10.00 S ATOM 1099 CE MET A 74 3.552 1.567 0.365 1.00 10.00 C ATOM 0 H MET A 74 6.786 -0.687 2.444 1.00 10.00 H new ATOM 0 HA MET A 74 8.166 1.634 3.393 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.340 0.583 3.780 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.887 2.150 4.344 1.00 10.00 H new ATOM 0 HG2 MET A 74 4.882 2.753 2.368 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.537 2.552 1.829 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.235 1.061 -0.547 1.00 10.00 H new ATOM 0 HE2 MET A 74 2.789 1.442 1.133 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.692 2.629 0.162 1.00 10.00 H new ATOM 1109 N SER A 75 6.893 -0.359 5.746 1.00 10.00 N ATOM 1110 CA SER A 75 7.033 -0.821 7.131 1.00 10.00 C ATOM 1111 C SER A 75 6.081 -1.988 7.443 1.00 10.00 C ATOM 1112 O SER A 75 5.395 -1.977 8.462 1.00 10.00 O ATOM 1113 CB SER A 75 6.836 0.350 8.113 1.00 10.00 C ATOM 1114 OG SER A 75 7.304 -0.007 9.403 1.00 10.00 O ATOM 0 H SER A 75 6.066 -0.728 5.277 1.00 10.00 H new ATOM 0 HA SER A 75 8.047 -1.202 7.256 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.372 1.229 7.754 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.781 0.619 8.163 1.00 10.00 H new ATOM 0 HG SER A 75 6.795 -0.776 9.734 1.00 10.00 H new ATOM 1120 N LYS A 76 6.021 -2.991 6.554 1.00 10.00 N ATOM 1121 CA LYS A 76 5.251 -4.232 6.719 1.00 10.00 C ATOM 1122 C LYS A 76 3.898 -4.041 7.400 1.00 10.00 C ATOM 1123 O LYS A 76 3.626 -4.616 8.451 1.00 10.00 O ATOM 1124 CB LYS A 76 6.110 -5.352 7.336 1.00 10.00 C ATOM 1125 CG LYS A 76 6.581 -5.085 8.773 1.00 10.00 C ATOM 1126 CD LYS A 76 6.452 -6.343 9.647 1.00 10.00 C ATOM 1127 CE LYS A 76 7.254 -7.525 9.080 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.981 -8.247 10.145 1.00 10.00 N ATOM 0 H LYS A 76 6.526 -2.958 5.668 1.00 10.00 H new ATOM 0 HA LYS A 76 4.984 -4.563 5.715 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.537 -6.279 7.323 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.985 -5.509 6.705 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.619 -4.753 8.762 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.992 -4.277 9.207 1.00 10.00 H new ATOM 0 HD2 LYS A 76 6.799 -6.120 10.656 1.00 10.00 H new ATOM 0 HD3 LYS A 76 5.402 -6.623 9.726 1.00 10.00 H new ATOM 0 HE2 LYS A 76 6.579 -8.212 8.569 1.00 10.00 H new ATOM 0 HE3 LYS A 76 7.963 -7.162 8.336 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 8.512 -9.038 9.728 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.642 -7.597 10.616 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 7.302 -8.615 10.841 1.00 10.00 H new ATOM 1142 N ALA A 77 3.043 -3.237 6.766 1.00 10.00 N ATOM 1143 CA ALA A 77 1.702 -2.995 7.263 1.00 10.00 C ATOM 1144 C ALA A 77 0.762 -2.414 6.205 1.00 10.00 C ATOM 1145 O ALA A 77 -0.018 -3.160 5.631 1.00 10.00 O ATOM 1146 CB ALA A 77 1.770 -2.149 8.529 1.00 10.00 C ATOM 0 H ALA A 77 3.265 -2.743 5.902 1.00 10.00 H new ATOM 0 HA ALA A 77 1.258 -3.957 7.518 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.761 -1.968 8.901 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.347 -2.676 9.288 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.250 -1.196 8.305 1.00 10.00 H new ATOM 1152 N LYS A 78 0.803 -1.100 5.970 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.139 -0.398 5.092 1.00 10.00 C ATOM 1154 C LYS A 78 0.439 0.013 3.722 1.00 10.00 C ATOM 1155 O LYS A 78 -0.156 0.898 3.069 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.814 0.742 5.884 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.131 2.119 5.835 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.870 3.131 4.933 1.00 10.00 C ATOM 1159 CE LYS A 78 0.116 4.006 4.146 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.644 3.277 2.970 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.483 -0.526 3.315 1.00 10.00 O ATOM 0 H LYS A 78 1.500 -0.485 6.389 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.915 -1.103 4.793 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.833 0.855 5.515 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.885 0.435 6.927 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.067 2.522 6.846 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.890 1.998 5.474 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.518 2.596 4.239 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.512 3.764 5.545 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.382 4.919 3.820 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.940 4.306 4.794 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 1.633 3.006 3.145 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.075 2.422 2.807 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.596 3.890 2.131 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.740 3.602 -0.645 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.482 4.064 2.358 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.079 0.858 0.706 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.291 3.070 -3.705 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.179 6.578 -1.835 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.840 2.595 1.151 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.648 2.942 2.208 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.465 1.935 3.226 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.533 1.037 2.755 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.080 1.495 1.467 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.191 -0.294 3.352 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.127 1.921 4.586 1.00 10.00 C HETATM 1188 CBA HEC A 90 -4.374 2.784 5.603 1.00 10.00 C HETATM 1189 CGA HEC A 90 -5.177 3.050 6.864 1.00 10.00 C HETATM 1190 O1A HEC A 90 -5.900 2.126 7.292 1.00 10.00 O HETATM 1191 O2A HEC A 90 -4.998 4.152 7.429 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.387 2.227 -1.355 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.826 1.220 -0.621 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.908 0.528 -1.484 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.045 1.076 -2.745 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.952 2.199 -2.645 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.000 -0.610 -1.059 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.246 0.698 -3.966 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.418 -0.764 -4.410 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.736 4.655 -2.465 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.106 4.210 -3.584 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.423 5.141 -4.651 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.214 6.139 -4.110 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.406 5.817 -2.715 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.979 5.039 -6.093 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.823 7.356 -4.800 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.239 7.171 -6.255 1.00 10.00 C HETATM 1208 ND HEC A 90 -5.068 5.086 0.141 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.475 6.195 -0.534 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.344 6.946 0.337 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.496 6.220 1.495 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.639 5.054 1.382 1.00 10.00 C HETATM 1213 CMD HEC A 90 -7.021 8.253 -0.004 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.530 6.507 2.567 1.00 10.00 C HETATM 1215 CBD HEC A 90 -7.344 7.813 3.355 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.274 7.531 4.848 1.00 10.00 C HETATM 1217 O1D HEC A 90 -6.184 7.113 5.289 1.00 10.00 O HETATM 1218 O2D HEC A 90 -8.324 7.694 5.504 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.266 9.004 -0.236 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.670 8.112 -0.868 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.616 8.587 0.846 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.890 5.048 -6.140 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.353 4.110 -6.524 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.374 5.885 -6.656 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.670 -0.266 -0.271 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.604 -1.438 -0.686 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.587 -0.945 -1.914 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.829 -0.154 4.370 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.079 -0.925 3.367 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.416 -0.773 2.754 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.432 8.313 3.031 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -8.171 8.491 3.146 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.369 6.894 -6.850 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.989 6.383 -6.322 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.657 8.103 -6.635 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.102 -1.428 -3.606 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.466 -0.952 -4.645 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.191 -0.950 -5.294 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -3.440 2.289 5.871 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -4.110 3.735 5.140 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.514 6.527 2.098 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.530 5.677 3.274 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -6.152 2.281 4.494 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.182 0.896 4.951 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.573 7.530 -2.191 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.890 2.841 -4.692 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.488 0.064 1.163 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.039 4.169 3.289 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.169 7.440 6.438 1.00 10.00 H new HETATM 0 H2A HEC A 90 -5.682 4.281 8.119 1.00 10.00 H new