USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 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: D 70 SER OG : rot 180:sc= 0.0784 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.0862 X(o=0.16,f=0) USER MOD Set 2.1: D 53 ASN : amide:sc= -3.18! K(o=-3.6!,f=-0.31) USER MOD Set 2.2: D 67 ASN : amide:sc= -0.376 K(o=-3.6,f=-2.7!) USER MOD Set 3.1: D 9 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.79) USER MOD Set 3.2: D 31 MET CE :methyl 155:sc= 0 (180deg=0) USER MOD Set 4.1: D 21 ASN : amide:sc= -2.87 K(o=-2.9,f=-0.2) USER MOD Set 4.2: D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 1 ASP N :NH3+ 137:sc= 0.0501 (180deg=-0.0683) USER MOD Single : D 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 10 MET CE :methyl -165:sc= -0.0746 (180deg=-0.436) USER MOD Single : D 11 ASN : amide:sc= -0.522 K(o=-0.52,f=-5.7!) USER MOD Single : D 12 SER OG : rot 161:sc= 1.28 USER MOD Single : D 14 ASN : amide:sc= 0.451 X(o=0.45,f=-0.00041) USER MOD Single : D 15 SER OG : rot -9:sc= 0.602 USER MOD Single : D 17 ASN : amide:sc= -0.889 K(o=-0.89,f=-3.2!) USER MOD Single : D 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0402) USER MOD Single : D 22 LYS NZ :NH3+ 171:sc= -0.0146 (180deg=-0.122) USER MOD Single : D 24 LYS NZ :NH3+ -161:sc= 0.278 (180deg=0.0791) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc=-0.00451 USER MOD Single : D 32 ASN : amide:sc= -2.02! K(o=-2!,f=-0.11) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 35 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.13) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 180:sc= -4.43! USER MOD Single : D 40 SER OG : rot 36:sc= -2.55! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.018) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.0751 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -159:sc= -0.678 (180deg=-1.19) USER MOD Single : D 59 ASN : amide:sc= -1.95! K(o=-1.9!,f=-0.54) USER MOD Single : D 62 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.308) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 69 LYS NZ :NH3+ -138:sc= -2.37! (180deg=-5.02!) USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.107 USER MOD Single : D 76 SER OG : rot 180:sc= 0 USER MOD Single : D 77 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.006) USER MOD Single : D 80 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.0079) USER MOD Single : D 81 LYS NZ :NH3+ 136:sc= 1 (180deg=-1.57) USER MOD Single : D 83 ASN : amide:sc= -3.31! K(o=-3.3!,f=-0.13) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot -15:sc= 1.26 USER MOD Single : D 92 LYS NZ :NH3+ -174:sc= 1.07 (180deg=0.91) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 17.287 6.083 -9.986 1.00 0.00 N ATOM 2 CA ASP D 1 16.223 5.576 -9.084 1.00 0.00 C ATOM 3 C ASP D 1 16.684 5.608 -7.632 1.00 0.00 C ATOM 4 O ASP D 1 17.718 6.197 -7.315 1.00 0.00 O ATOM 5 CB ASP D 1 15.851 4.145 -9.506 1.00 0.00 C ATOM 6 CG ASP D 1 17.028 3.192 -9.508 1.00 0.00 C ATOM 7 OD1 ASP D 1 17.640 2.986 -8.444 1.00 0.00 O ATOM 8 OD2 ASP D 1 17.340 2.640 -10.579 1.00 0.00 O1- ATOM 0 H1 ASP D 1 17.351 5.472 -10.825 1.00 0.00 H new ATOM 0 H2 ASP D 1 17.059 7.054 -10.281 1.00 0.00 H new ATOM 0 H3 ASP D 1 18.198 6.078 -9.485 1.00 0.00 H new ATOM 0 HA ASP D 1 15.345 6.217 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP D 1 15.085 3.763 -8.831 1.00 0.00 H new ATOM 0 HB3 ASP D 1 15.413 4.171 -10.504 1.00 0.00 H new ATOM 13 N ASN D 2 15.943 4.929 -6.760 1.00 0.00 N ATOM 14 CA ASN D 2 16.315 4.836 -5.352 1.00 0.00 C ATOM 15 C ASN D 2 17.390 3.777 -5.157 1.00 0.00 C ATOM 16 O ASN D 2 17.087 2.590 -5.059 1.00 0.00 O ATOM 17 CB ASN D 2 15.096 4.504 -4.486 1.00 0.00 C ATOM 18 CG ASN D 2 14.044 5.592 -4.525 1.00 0.00 C ATOM 19 OD1 ASN D 2 14.312 6.738 -4.163 1.00 0.00 O ATOM 20 ND2 ASN D 2 12.843 5.245 -4.955 1.00 0.00 N ATOM 0 H ASN D 2 15.084 4.436 -7.003 1.00 0.00 H new ATOM 0 HA ASN D 2 16.708 5.805 -5.042 1.00 0.00 H new ATOM 0 HB2 ASN D 2 14.657 3.566 -4.826 1.00 0.00 H new ATOM 0 HB3 ASN D 2 15.417 4.350 -3.456 1.00 0.00 H new ATOM 0 HD21 ASN D 2 12.096 5.938 -4.996 1.00 0.00 H new ATOM 0 HD22 ASN D 2 12.663 4.284 -5.246 1.00 0.00 H new ATOM 27 N GLN D 3 18.646 4.211 -5.154 1.00 0.00 N ATOM 28 CA GLN D 3 19.779 3.297 -5.032 1.00 0.00 C ATOM 29 C GLN D 3 19.738 2.515 -3.728 1.00 0.00 C ATOM 30 O GLN D 3 19.971 1.307 -3.715 1.00 0.00 O ATOM 31 CB GLN D 3 21.102 4.059 -5.118 1.00 0.00 C ATOM 32 CG GLN D 3 21.321 4.764 -6.444 1.00 0.00 C ATOM 33 CD GLN D 3 22.637 5.514 -6.481 1.00 0.00 C ATOM 34 OE1 GLN D 3 22.855 6.442 -5.701 1.00 0.00 O ATOM 35 NE2 GLN D 3 23.529 5.104 -7.370 1.00 0.00 N ATOM 0 H GLN D 3 18.907 5.194 -5.235 1.00 0.00 H new ATOM 0 HA GLN D 3 19.707 2.593 -5.861 1.00 0.00 H new ATOM 0 HB2 GLN D 3 21.138 4.796 -4.316 1.00 0.00 H new ATOM 0 HB3 GLN D 3 21.923 3.362 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN D 3 21.299 4.032 -7.251 1.00 0.00 H new ATOM 0 HG3 GLN D 3 20.502 5.461 -6.623 1.00 0.00 H new ATOM 0 HE21 GLN D 3 23.306 4.331 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN D 3 24.439 5.561 -7.428 1.00 0.00 H new ATOM 44 N LYS D 4 19.516 3.215 -2.624 1.00 0.00 N ATOM 45 CA LYS D 4 19.529 2.582 -1.311 1.00 0.00 C ATOM 46 C LYS D 4 18.135 2.536 -0.701 1.00 0.00 C ATOM 47 O LYS D 4 17.942 1.951 0.365 1.00 0.00 O ATOM 48 CB LYS D 4 20.484 3.328 -0.377 1.00 0.00 C ATOM 49 CG LYS D 4 21.930 3.320 -0.850 1.00 0.00 C ATOM 50 CD LYS D 4 22.472 1.904 -0.954 1.00 0.00 C ATOM 51 CE LYS D 4 23.922 1.891 -1.413 1.00 0.00 C ATOM 52 NZ LYS D 4 24.466 0.509 -1.493 1.00 0.00 N1+ ATOM 0 H LYS D 4 19.325 4.217 -2.610 1.00 0.00 H new ATOM 0 HA LYS D 4 19.875 1.556 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS D 4 20.149 4.360 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS D 4 20.433 2.879 0.615 1.00 0.00 H new ATOM 0 HG2 LYS D 4 21.999 3.810 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS D 4 22.544 3.896 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS D 4 22.392 1.411 0.015 1.00 0.00 H new ATOM 0 HD3 LYS D 4 21.863 1.331 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS D 4 23.998 2.368 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS D 4 24.527 2.480 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 25.456 0.543 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 24.417 0.062 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 23.905 -0.046 -2.171 1.00 0.00 H new ATOM 66 N ALA D 5 17.190 3.224 -1.342 1.00 0.00 N ATOM 67 CA ALA D 5 15.823 3.343 -0.829 1.00 0.00 C ATOM 68 C ALA D 5 15.818 4.001 0.547 1.00 0.00 C ATOM 69 O ALA D 5 15.055 3.613 1.433 1.00 0.00 O ATOM 70 CB ALA D 5 15.135 1.983 -0.782 1.00 0.00 C ATOM 0 H ALA D 5 17.347 3.711 -2.224 1.00 0.00 H new ATOM 0 HA ALA D 5 15.261 3.979 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA D 5 14.122 2.101 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA D 5 15.095 1.561 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA D 5 15.695 1.314 -0.129 1.00 0.00 H new ATOM 76 N LEU D 6 16.694 4.986 0.719 1.00 0.00 N ATOM 77 CA LEU D 6 16.825 5.696 1.986 1.00 0.00 C ATOM 78 C LEU D 6 15.563 6.513 2.245 1.00 0.00 C ATOM 79 O LEU D 6 14.994 6.473 3.337 1.00 0.00 O ATOM 80 CB LEU D 6 18.085 6.591 1.938 1.00 0.00 C ATOM 81 CG LEU D 6 18.532 7.261 3.253 1.00 0.00 C ATOM 82 CD1 LEU D 6 17.552 8.326 3.723 1.00 0.00 C ATOM 83 CD2 LEU D 6 18.727 6.215 4.338 1.00 0.00 C ATOM 0 H LEU D 6 17.328 5.312 -0.010 1.00 0.00 H new ATOM 0 HA LEU D 6 16.940 4.990 2.808 1.00 0.00 H new ATOM 0 HB2 LEU D 6 18.914 5.986 1.570 1.00 0.00 H new ATOM 0 HB3 LEU D 6 17.912 7.376 1.202 1.00 0.00 H new ATOM 0 HG LEU D 6 19.481 7.759 3.053 1.00 0.00 H new ATOM 0 HD11 LEU D 6 17.912 8.767 4.652 1.00 0.00 H new ATOM 0 HD12 LEU D 6 17.466 9.102 2.962 1.00 0.00 H new ATOM 0 HD13 LEU D 6 16.575 7.873 3.891 1.00 0.00 H new ATOM 0 HD21 LEU D 6 19.043 6.702 5.261 1.00 0.00 H new ATOM 0 HD22 LEU D 6 17.788 5.688 4.509 1.00 0.00 H new ATOM 0 HD23 LEU D 6 19.491 5.503 4.024 1.00 0.00 H new ATOM 95 N GLU D 7 15.112 7.224 1.215 1.00 0.00 N ATOM 96 CA GLU D 7 13.897 8.032 1.295 1.00 0.00 C ATOM 97 C GLU D 7 12.673 7.170 1.591 1.00 0.00 C ATOM 98 O GLU D 7 11.684 7.649 2.152 1.00 0.00 O ATOM 99 CB GLU D 7 13.682 8.780 -0.021 1.00 0.00 C ATOM 100 CG GLU D 7 14.820 9.718 -0.389 1.00 0.00 C ATOM 101 CD GLU D 7 14.619 10.345 -1.746 1.00 0.00 C ATOM 102 OE1 GLU D 7 14.567 9.595 -2.741 1.00 0.00 O ATOM 103 OE2 GLU D 7 14.495 11.581 -1.821 1.00 0.00 O1- ATOM 0 H GLU D 7 15.575 7.257 0.307 1.00 0.00 H new ATOM 0 HA GLU D 7 14.023 8.743 2.111 1.00 0.00 H new ATOM 0 HB2 GLU D 7 13.549 8.054 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU D 7 12.758 9.354 0.046 1.00 0.00 H new ATOM 0 HG2 GLU D 7 14.902 10.502 0.364 1.00 0.00 H new ATOM 0 HG3 GLU D 7 15.761 9.168 -0.380 1.00 0.00 H new ATOM 110 N GLU D 8 12.733 5.904 1.189 1.00 0.00 N ATOM 111 CA GLU D 8 11.625 4.991 1.385 1.00 0.00 C ATOM 112 C GLU D 8 11.424 4.705 2.865 1.00 0.00 C ATOM 113 O GLU D 8 10.315 4.416 3.308 1.00 0.00 O ATOM 114 CB GLU D 8 11.872 3.687 0.625 1.00 0.00 C ATOM 115 CG GLU D 8 12.129 3.887 -0.859 1.00 0.00 C ATOM 116 CD GLU D 8 11.006 4.617 -1.545 1.00 0.00 C ATOM 117 OE1 GLU D 8 9.866 4.119 -1.510 1.00 0.00 O ATOM 118 OE2 GLU D 8 11.258 5.694 -2.112 1.00 0.00 O1- ATOM 0 H GLU D 8 13.542 5.491 0.725 1.00 0.00 H new ATOM 0 HA GLU D 8 10.720 5.459 0.996 1.00 0.00 H new ATOM 0 HB2 GLU D 8 12.726 3.175 1.067 1.00 0.00 H new ATOM 0 HB3 GLU D 8 11.009 3.034 0.751 1.00 0.00 H new ATOM 0 HG2 GLU D 8 13.056 4.445 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.271 2.916 -1.334 1.00 0.00 H new ATOM 125 N GLN D 9 12.508 4.766 3.619 1.00 0.00 N ATOM 126 CA GLN D 9 12.456 4.478 5.042 1.00 0.00 C ATOM 127 C GLN D 9 12.157 5.748 5.830 1.00 0.00 C ATOM 128 O GLN D 9 12.260 5.764 7.058 1.00 0.00 O ATOM 129 CB GLN D 9 13.793 3.893 5.506 1.00 0.00 C ATOM 130 CG GLN D 9 14.368 2.847 4.560 1.00 0.00 C ATOM 131 CD GLN D 9 13.384 1.753 4.208 1.00 0.00 C ATOM 132 OE1 GLN D 9 12.909 1.018 5.076 1.00 0.00 O ATOM 133 NE2 GLN D 9 13.061 1.653 2.927 1.00 0.00 N ATOM 0 H GLN D 9 13.434 5.012 3.270 1.00 0.00 H new ATOM 0 HA GLN D 9 11.661 3.754 5.220 1.00 0.00 H new ATOM 0 HB2 GLN D 9 14.514 4.703 5.618 1.00 0.00 H new ATOM 0 HB3 GLN D 9 13.661 3.445 6.491 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.698 3.338 3.644 1.00 0.00 H new ATOM 0 HG3 GLN D 9 15.250 2.399 5.018 1.00 0.00 H new ATOM 0 HE21 GLN D 9 13.481 2.284 2.244 1.00 0.00 H new ATOM 0 HE22 GLN D 9 12.393 0.945 2.623 1.00 0.00 H new ATOM 142 N MET D 10 11.861 6.829 5.117 1.00 0.00 N ATOM 143 CA MET D 10 11.637 8.118 5.764 1.00 0.00 C ATOM 144 C MET D 10 10.165 8.498 5.754 1.00 0.00 C ATOM 145 O MET D 10 9.472 8.373 6.760 1.00 0.00 O ATOM 146 CB MET D 10 12.466 9.213 5.089 1.00 0.00 C ATOM 147 CG MET D 10 13.964 8.950 5.119 1.00 0.00 C ATOM 148 SD MET D 10 14.604 8.732 6.792 1.00 0.00 S ATOM 149 CE MET D 10 14.167 10.299 7.541 1.00 0.00 C ATOM 0 H MET D 10 11.771 6.840 4.101 1.00 0.00 H new ATOM 0 HA MET D 10 11.955 8.022 6.802 1.00 0.00 H new ATOM 0 HB2 MET D 10 12.144 9.314 4.052 1.00 0.00 H new ATOM 0 HB3 MET D 10 12.263 10.165 5.580 1.00 0.00 H new ATOM 0 HG2 MET D 10 14.183 8.058 4.532 1.00 0.00 H new ATOM 0 HG3 MET D 10 14.484 9.781 4.642 1.00 0.00 H new ATOM 0 HE1 MET D 10 14.719 10.424 8.472 1.00 0.00 H new ATOM 0 HE2 MET D 10 14.418 11.111 6.859 1.00 0.00 H new ATOM 0 HE3 MET D 10 13.097 10.317 7.748 1.00 0.00 H new ATOM 159 N ASN D 11 9.683 8.922 4.596 1.00 0.00 N ATOM 160 CA ASN D 11 8.279 9.276 4.434 1.00 0.00 C ATOM 161 C ASN D 11 7.518 8.168 3.771 1.00 0.00 C ATOM 162 O ASN D 11 6.403 7.874 4.151 1.00 0.00 O ATOM 163 CB ASN D 11 8.102 10.555 3.611 1.00 0.00 C ATOM 164 CG ASN D 11 9.126 10.712 2.501 1.00 0.00 C ATOM 165 OD1 ASN D 11 9.227 9.879 1.603 1.00 0.00 O ATOM 166 ND2 ASN D 11 9.896 11.787 2.561 1.00 0.00 N ATOM 0 H ASN D 11 10.244 9.030 3.751 1.00 0.00 H new ATOM 0 HA ASN D 11 7.886 9.446 5.437 1.00 0.00 H new ATOM 0 HB2 ASN D 11 7.103 10.561 3.175 1.00 0.00 H new ATOM 0 HB3 ASN D 11 8.165 11.416 4.276 1.00 0.00 H new ATOM 0 HD21 ASN D 11 10.605 11.947 1.845 1.00 0.00 H new ATOM 0 HD22 ASN D 11 9.781 12.455 3.323 1.00 0.00 H new ATOM 173 N SER D 12 8.093 7.691 2.691 1.00 0.00 N ATOM 174 CA SER D 12 7.483 6.734 1.786 1.00 0.00 C ATOM 175 C SER D 12 6.460 5.797 2.438 1.00 0.00 C ATOM 176 O SER D 12 5.274 5.816 2.106 1.00 0.00 O ATOM 177 CB SER D 12 8.604 5.897 1.197 1.00 0.00 C ATOM 178 OG SER D 12 8.105 4.887 0.333 1.00 0.00 O ATOM 0 H SER D 12 9.033 7.967 2.405 1.00 0.00 H new ATOM 0 HA SER D 12 6.928 7.303 1.040 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.289 6.542 0.646 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.177 5.437 2.002 1.00 0.00 H new ATOM 0 HG SER D 12 8.826 4.568 -0.249 1.00 0.00 H new ATOM 184 N ILE D 13 6.978 4.894 3.253 1.00 0.00 N ATOM 185 CA ILE D 13 6.202 3.806 3.848 1.00 0.00 C ATOM 186 C ILE D 13 5.251 4.316 4.923 1.00 0.00 C ATOM 187 O ILE D 13 4.332 3.626 5.357 1.00 0.00 O ATOM 188 CB ILE D 13 7.177 2.772 4.424 1.00 0.00 C ATOM 189 CG1 ILE D 13 8.072 2.274 3.306 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.461 1.610 5.098 1.00 0.00 C ATOM 191 CD1 ILE D 13 9.126 1.288 3.760 1.00 0.00 C ATOM 0 H ILE D 13 7.961 4.891 3.527 1.00 0.00 H new ATOM 0 HA ILE D 13 5.584 3.345 3.078 1.00 0.00 H new ATOM 0 HB ILE D 13 7.773 3.254 5.199 1.00 0.00 H new ATOM 0 HG12 ILE D 13 7.454 1.804 2.541 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.564 3.128 2.839 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.196 0.907 5.489 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.848 1.986 5.917 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.825 1.104 4.372 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.726 0.978 2.905 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.769 1.759 4.503 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.643 0.416 4.200 1.00 0.00 H new ATOM 203 N ASN D 14 5.400 5.570 5.247 1.00 0.00 N ATOM 204 CA ASN D 14 4.456 6.231 6.148 1.00 0.00 C ATOM 205 C ASN D 14 3.390 6.981 5.353 1.00 0.00 C ATOM 206 O ASN D 14 2.207 6.985 5.707 1.00 0.00 O ATOM 207 CB ASN D 14 5.173 7.187 7.099 1.00 0.00 C ATOM 208 CG ASN D 14 6.139 6.468 8.019 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.746 5.580 8.776 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.407 6.842 7.965 1.00 0.00 N ATOM 0 H ASN D 14 6.157 6.165 4.910 1.00 0.00 H new ATOM 0 HA ASN D 14 3.972 5.458 6.745 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.715 7.934 6.519 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.435 7.722 7.697 1.00 0.00 H new ATOM 0 HD21 ASN D 14 8.098 6.390 8.564 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.694 7.582 7.324 1.00 0.00 H new ATOM 217 N SER D 15 3.818 7.635 4.282 1.00 0.00 N ATOM 218 CA SER D 15 2.914 8.403 3.451 1.00 0.00 C ATOM 219 C SER D 15 1.995 7.483 2.662 1.00 0.00 C ATOM 220 O SER D 15 0.877 7.861 2.346 1.00 0.00 O ATOM 221 CB SER D 15 3.682 9.321 2.502 1.00 0.00 C ATOM 222 OG SER D 15 4.539 8.583 1.640 1.00 0.00 O ATOM 0 H SER D 15 4.789 7.646 3.971 1.00 0.00 H new ATOM 0 HA SER D 15 2.306 9.024 4.109 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.977 9.901 1.906 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.271 10.032 3.080 1.00 0.00 H new ATOM 0 HG SER D 15 4.562 7.646 1.926 1.00 0.00 H new ATOM 228 N VAL D 16 2.459 6.256 2.390 1.00 0.00 N ATOM 229 CA VAL D 16 1.656 5.252 1.685 1.00 0.00 C ATOM 230 C VAL D 16 0.312 5.062 2.372 1.00 0.00 C ATOM 231 O VAL D 16 -0.710 4.793 1.737 1.00 0.00 O ATOM 232 CB VAL D 16 2.401 3.893 1.622 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.657 3.342 3.005 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.629 2.874 0.801 1.00 0.00 C ATOM 0 H VAL D 16 3.392 5.935 2.650 1.00 0.00 H new ATOM 0 HA VAL D 16 1.491 5.612 0.669 1.00 0.00 H new ATOM 0 HB VAL D 16 3.359 4.079 1.136 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.180 2.389 2.926 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.268 4.046 3.570 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.707 3.193 3.519 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.179 1.933 0.778 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.650 2.710 1.251 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.503 3.246 -0.216 1.00 0.00 H new ATOM 244 N ASN D 17 0.326 5.296 3.665 1.00 0.00 N ATOM 245 CA ASN D 17 -0.877 5.237 4.478 1.00 0.00 C ATOM 246 C ASN D 17 -1.749 6.434 4.183 1.00 0.00 C ATOM 247 O ASN D 17 -2.952 6.320 4.094 1.00 0.00 O ATOM 248 CB ASN D 17 -0.524 5.236 5.971 1.00 0.00 C ATOM 249 CG ASN D 17 0.334 4.061 6.396 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.415 3.835 5.857 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.125 3.324 7.390 1.00 0.00 N ATOM 0 H ASN D 17 1.170 5.533 4.187 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.408 4.316 4.237 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.001 6.162 6.212 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.446 5.230 6.553 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.423 2.536 7.736 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -1.027 3.543 7.813 1.00 0.00 H new ATOM 258 N ASP D 18 -1.115 7.587 4.084 1.00 0.00 N ATOM 259 CA ASP D 18 -1.792 8.857 3.858 1.00 0.00 C ATOM 260 C ASP D 18 -2.644 8.913 2.580 1.00 0.00 C ATOM 261 O ASP D 18 -3.505 9.786 2.460 1.00 0.00 O ATOM 262 CB ASP D 18 -0.748 9.966 3.820 1.00 0.00 C ATOM 263 CG ASP D 18 -0.172 10.276 5.182 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.701 11.160 5.267 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.594 9.647 6.170 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.101 7.673 4.159 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.493 8.983 4.683 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.059 9.676 3.147 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.199 10.869 3.407 1.00 0.00 H new ATOM 270 N LYS D 19 -2.468 7.970 1.658 1.00 0.00 N ATOM 271 CA LYS D 19 -3.317 7.940 0.451 1.00 0.00 C ATOM 272 C LYS D 19 -4.513 7.094 0.745 1.00 0.00 C ATOM 273 O LYS D 19 -5.629 7.367 0.316 1.00 0.00 O ATOM 274 CB LYS D 19 -2.630 7.336 -0.778 1.00 0.00 C ATOM 275 CG LYS D 19 -1.324 7.988 -1.154 1.00 0.00 C ATOM 276 CD LYS D 19 -0.248 7.490 -0.238 1.00 0.00 C ATOM 277 CE LYS D 19 1.102 8.104 -0.516 1.00 0.00 C ATOM 278 NZ LYS D 19 1.623 7.755 -1.865 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.767 7.231 1.711 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.563 8.976 0.217 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.452 6.277 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.311 7.402 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.073 7.758 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.409 9.072 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.531 7.702 0.793 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.173 6.407 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.029 9.188 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS D 19 1.812 7.770 0.241 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.593 8.116 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.624 6.721 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.016 8.184 -2.593 1.00 0.00 H new ATOM 292 N LEU D 20 -4.219 6.015 1.421 1.00 0.00 N ATOM 293 CA LEU D 20 -5.186 5.011 1.750 1.00 0.00 C ATOM 294 C LEU D 20 -6.101 5.519 2.858 1.00 0.00 C ATOM 295 O LEU D 20 -7.309 5.294 2.857 1.00 0.00 O ATOM 296 CB LEU D 20 -4.412 3.791 2.213 1.00 0.00 C ATOM 297 CG LEU D 20 -3.348 3.311 1.223 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.569 2.143 1.783 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.985 2.933 -0.102 1.00 0.00 C ATOM 0 H LEU D 20 -3.281 5.809 1.764 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.812 4.765 0.892 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.931 4.019 3.164 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -5.114 2.978 2.398 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.652 4.133 1.055 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.821 1.824 1.058 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -2.074 2.445 2.706 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -3.250 1.317 1.989 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.213 2.594 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.707 2.132 0.057 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.493 3.801 -0.522 1.00 0.00 H new ATOM 311 N ASN D 21 -5.487 6.217 3.801 1.00 0.00 N ATOM 312 CA ASN D 21 -6.179 6.796 4.941 1.00 0.00 C ATOM 313 C ASN D 21 -6.961 8.037 4.529 1.00 0.00 C ATOM 314 O ASN D 21 -6.396 9.129 4.482 1.00 0.00 O ATOM 315 CB ASN D 21 -5.170 7.198 6.029 1.00 0.00 C ATOM 316 CG ASN D 21 -4.503 6.029 6.739 1.00 0.00 C ATOM 317 OD1 ASN D 21 -3.717 6.231 7.663 1.00 0.00 O ATOM 318 ND2 ASN D 21 -4.785 4.809 6.310 1.00 0.00 N ATOM 0 H ASN D 21 -4.483 6.399 3.796 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.867 6.043 5.326 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.397 7.820 5.577 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.681 7.812 6.770 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -4.345 4.000 6.749 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -5.442 4.678 5.541 1.00 0.00 H new ATOM 325 N LYS D 22 -8.233 7.889 4.162 1.00 0.00 N ATOM 326 CA LYS D 22 -8.980 9.056 3.688 1.00 0.00 C ATOM 327 C LYS D 22 -10.246 9.361 4.490 1.00 0.00 C ATOM 328 O LYS D 22 -10.532 10.529 4.756 1.00 0.00 O ATOM 329 CB LYS D 22 -9.292 8.926 2.197 1.00 0.00 C ATOM 330 CG LYS D 22 -8.037 8.974 1.335 1.00 0.00 C ATOM 331 CD LYS D 22 -8.346 8.879 -0.149 1.00 0.00 C ATOM 332 CE LYS D 22 -9.231 10.026 -0.621 1.00 0.00 C ATOM 333 NZ LYS D 22 -8.588 11.352 -0.418 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.752 7.011 4.181 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.325 9.913 3.848 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.816 7.987 2.019 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.966 9.729 1.898 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.500 9.902 1.532 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.374 8.156 1.618 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.414 8.883 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -8.841 7.930 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -9.461 9.894 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -10.178 9.997 -0.082 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -9.153 12.088 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -8.530 11.558 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -7.630 11.339 -0.824 1.00 0.00 H new ATOM 347 N GLY D 23 -11.021 8.348 4.862 1.00 0.00 N ATOM 348 CA GLY D 23 -12.233 8.616 5.596 1.00 0.00 C ATOM 349 C GLY D 23 -13.069 7.385 5.871 1.00 0.00 C ATOM 350 O GLY D 23 -12.874 6.722 6.892 1.00 0.00 O ATOM 0 H GLY D 23 -10.833 7.364 4.670 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.975 9.087 6.544 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.834 9.333 5.037 1.00 0.00 H new ATOM 354 N LYS D 24 -14.010 7.097 4.969 1.00 0.00 N ATOM 355 CA LYS D 24 -14.910 5.948 5.100 1.00 0.00 C ATOM 356 C LYS D 24 -14.117 4.698 5.425 1.00 0.00 C ATOM 357 O LYS D 24 -14.329 4.049 6.447 1.00 0.00 O ATOM 358 CB LYS D 24 -15.665 5.754 3.803 1.00 0.00 C ATOM 359 CG LYS D 24 -16.792 4.751 3.881 1.00 0.00 C ATOM 360 CD LYS D 24 -17.669 4.920 2.668 1.00 0.00 C ATOM 361 CE LYS D 24 -18.891 4.021 2.690 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.527 2.582 2.764 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.170 7.652 4.129 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.616 6.135 5.909 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.071 6.715 3.486 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.963 5.435 3.033 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.394 3.737 3.922 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.372 4.903 4.791 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.991 5.959 2.601 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.085 4.709 1.772 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.516 4.281 3.545 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.487 4.198 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.335 2.003 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -17.714 2.397 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.277 2.337 3.743 1.00 0.00 H new ATOM 376 N GLY D 25 -13.147 4.430 4.576 1.00 0.00 N ATOM 377 CA GLY D 25 -12.244 3.335 4.777 1.00 0.00 C ATOM 378 C GLY D 25 -10.863 3.675 4.311 1.00 0.00 C ATOM 379 O GLY D 25 -10.661 4.668 3.609 1.00 0.00 O ATOM 0 H GLY D 25 -12.969 4.970 3.729 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.219 3.072 5.834 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.606 2.459 4.239 1.00 0.00 H new ATOM 383 N LYS D 26 -9.911 3.008 4.907 1.00 0.00 N ATOM 384 CA LYS D 26 -8.526 3.376 4.781 1.00 0.00 C ATOM 385 C LYS D 26 -7.622 2.171 4.916 1.00 0.00 C ATOM 386 O LYS D 26 -8.036 1.142 5.440 1.00 0.00 O ATOM 387 CB LYS D 26 -8.247 4.388 5.847 1.00 0.00 C ATOM 388 CG LYS D 26 -9.006 4.055 7.093 1.00 0.00 C ATOM 389 CD LYS D 26 -9.039 5.232 8.048 1.00 0.00 C ATOM 390 CE LYS D 26 -9.677 6.443 7.382 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.874 7.572 8.326 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.075 2.191 5.496 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.328 3.793 3.794 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.179 4.415 6.061 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.528 5.381 5.497 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.024 3.765 6.835 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.545 3.198 7.584 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.600 4.965 8.944 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.026 5.477 8.367 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.049 6.771 6.554 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.639 6.156 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.311 8.372 7.825 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.495 7.270 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -8.954 7.866 8.712 1.00 0.00 H new ATOM 405 N LEU D 27 -6.394 2.298 4.453 1.00 0.00 N ATOM 406 CA LEU D 27 -5.441 1.209 4.539 1.00 0.00 C ATOM 407 C LEU D 27 -4.094 1.665 5.087 1.00 0.00 C ATOM 408 O LEU D 27 -3.647 2.782 4.851 1.00 0.00 O ATOM 409 CB LEU D 27 -5.293 0.556 3.183 1.00 0.00 C ATOM 410 CG LEU D 27 -4.148 -0.441 3.050 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.315 -1.606 4.017 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.047 -0.958 1.623 1.00 0.00 C ATOM 0 H LEU D 27 -6.033 3.144 4.013 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.826 0.475 5.247 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.225 0.045 2.943 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.157 1.338 2.436 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.225 0.082 3.301 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.483 -2.300 3.898 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.331 -1.230 5.040 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.251 -2.123 3.806 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.223 -1.668 1.551 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.978 -1.453 1.349 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.867 -0.123 0.946 1.00 0.00 H new ATOM 424 N SER D 28 -3.495 0.802 5.875 1.00 0.00 N ATOM 425 CA SER D 28 -2.247 1.086 6.542 1.00 0.00 C ATOM 426 C SER D 28 -1.301 -0.080 6.357 1.00 0.00 C ATOM 427 O SER D 28 -1.745 -1.223 6.284 1.00 0.00 O ATOM 428 CB SER D 28 -2.517 1.287 8.026 1.00 0.00 C ATOM 429 OG SER D 28 -3.447 2.339 8.244 1.00 0.00 O ATOM 0 H SER D 28 -3.866 -0.127 6.073 1.00 0.00 H new ATOM 0 HA SER D 28 -1.798 1.986 6.121 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.903 0.363 8.456 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.583 1.512 8.540 1.00 0.00 H new ATOM 0 HG SER D 28 -3.602 2.444 9.206 1.00 0.00 H new ATOM 435 N LEU D 29 -0.012 0.187 6.229 1.00 0.00 N ATOM 436 CA LEU D 29 0.921 -0.894 6.002 1.00 0.00 C ATOM 437 C LEU D 29 2.210 -0.663 6.769 1.00 0.00 C ATOM 438 O LEU D 29 2.640 0.472 6.958 1.00 0.00 O ATOM 439 CB LEU D 29 1.220 -1.068 4.512 1.00 0.00 C ATOM 440 CG LEU D 29 0.127 -0.567 3.560 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.259 0.929 3.341 1.00 0.00 C ATOM 442 CD2 LEU D 29 0.164 -1.316 2.238 1.00 0.00 C ATOM 0 H LEU D 29 0.401 1.119 6.277 1.00 0.00 H new ATOM 0 HA LEU D 29 0.455 -1.810 6.365 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.148 -0.544 4.281 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.394 -2.126 4.314 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.841 -0.762 4.022 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.524 1.268 2.663 1.00 0.00 H new ATOM 0 HD12 LEU D 29 0.162 1.446 4.295 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.234 1.149 2.907 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.622 -0.939 1.584 1.00 0.00 H new ATOM 0 HD22 LEU D 29 1.134 -1.167 1.763 1.00 0.00 H new ATOM 0 HD23 LEU D 29 0.007 -2.380 2.418 1.00 0.00 H new ATOM 454 N SER D 30 2.816 -1.752 7.203 1.00 0.00 N ATOM 455 CA SER D 30 4.061 -1.708 7.947 1.00 0.00 C ATOM 456 C SER D 30 4.859 -2.973 7.662 1.00 0.00 C ATOM 457 O SER D 30 4.372 -3.872 6.975 1.00 0.00 O ATOM 458 CB SER D 30 3.779 -1.593 9.448 1.00 0.00 C ATOM 459 OG SER D 30 2.987 -0.449 9.738 1.00 0.00 O ATOM 0 H SER D 30 2.458 -2.695 7.049 1.00 0.00 H new ATOM 0 HA SER D 30 4.636 -0.836 7.636 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.266 -2.490 9.794 1.00 0.00 H new ATOM 0 HB3 SER D 30 4.721 -1.534 9.994 1.00 0.00 H new ATOM 0 HG SER D 30 2.821 -0.402 10.703 1.00 0.00 H new ATOM 465 N MET D 31 6.060 -3.060 8.206 1.00 0.00 N ATOM 466 CA MET D 31 6.887 -4.241 8.020 1.00 0.00 C ATOM 467 C MET D 31 7.575 -4.629 9.313 1.00 0.00 C ATOM 468 O MET D 31 7.653 -3.838 10.255 1.00 0.00 O ATOM 469 CB MET D 31 7.928 -4.009 6.922 1.00 0.00 C ATOM 470 CG MET D 31 8.850 -2.830 7.193 1.00 0.00 C ATOM 471 SD MET D 31 10.070 -2.590 5.889 1.00 0.00 S ATOM 472 CE MET D 31 10.942 -1.158 6.515 1.00 0.00 C ATOM 0 H MET D 31 6.484 -2.330 8.778 1.00 0.00 H new ATOM 0 HA MET D 31 6.234 -5.059 7.715 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.530 -4.911 6.808 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.414 -3.847 5.975 1.00 0.00 H new ATOM 0 HG2 MET D 31 8.253 -1.924 7.299 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.364 -2.986 8.142 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.952 -1.140 6.107 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.414 -0.252 6.218 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.991 -1.209 7.603 1.00 0.00 H new ATOM 482 N ASN D 32 8.112 -5.833 9.324 1.00 0.00 N ATOM 483 CA ASN D 32 8.854 -6.344 10.466 1.00 0.00 C ATOM 484 C ASN D 32 9.937 -7.281 9.952 1.00 0.00 C ATOM 485 O ASN D 32 9.682 -8.461 9.733 1.00 0.00 O ATOM 486 CB ASN D 32 7.907 -7.097 11.412 1.00 0.00 C ATOM 487 CG ASN D 32 8.584 -7.570 12.692 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.970 -8.254 13.511 1.00 0.00 O ATOM 489 ND2 ASN D 32 9.840 -7.189 12.894 1.00 0.00 N ATOM 0 H ASN D 32 8.048 -6.486 8.543 1.00 0.00 H new ATOM 0 HA ASN D 32 9.307 -5.521 11.019 1.00 0.00 H new ATOM 0 HB2 ASN D 32 7.071 -6.447 11.670 1.00 0.00 H new ATOM 0 HB3 ASN D 32 7.492 -7.959 10.889 1.00 0.00 H new ATOM 0 HD21 ASN D 32 10.325 -7.463 13.748 1.00 0.00 H new ATOM 0 HD22 ASN D 32 10.320 -6.622 12.195 1.00 0.00 H new ATOM 496 N GLY D 33 11.095 -6.723 9.624 1.00 0.00 N ATOM 497 CA GLY D 33 12.126 -7.518 8.974 1.00 0.00 C ATOM 498 C GLY D 33 11.726 -7.872 7.557 1.00 0.00 C ATOM 499 O GLY D 33 11.761 -7.025 6.664 1.00 0.00 O ATOM 0 H GLY D 33 11.340 -5.747 9.792 1.00 0.00 H new ATOM 0 HA2 GLY D 33 13.065 -6.964 8.963 1.00 0.00 H new ATOM 0 HA3 GLY D 33 12.301 -8.430 9.545 1.00 0.00 H new ATOM 503 N ASN D 34 11.218 -9.084 7.385 1.00 0.00 N ATOM 504 CA ASN D 34 10.659 -9.517 6.111 1.00 0.00 C ATOM 505 C ASN D 34 9.175 -9.808 6.257 1.00 0.00 C ATOM 506 O ASN D 34 8.634 -10.687 5.593 1.00 0.00 O ATOM 507 CB ASN D 34 11.387 -10.760 5.597 1.00 0.00 C ATOM 508 CG ASN D 34 12.820 -10.473 5.210 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.078 -9.699 4.288 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.759 -11.083 5.914 1.00 0.00 N ATOM 0 H ASN D 34 11.181 -9.791 8.119 1.00 0.00 H new ATOM 0 HA ASN D 34 10.792 -8.712 5.389 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.369 -11.532 6.367 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.854 -11.159 4.734 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.743 -10.920 5.701 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.499 -11.717 6.670 1.00 0.00 H new ATOM 517 N GLN D 35 8.528 -9.085 7.156 1.00 0.00 N ATOM 518 CA GLN D 35 7.111 -9.280 7.426 1.00 0.00 C ATOM 519 C GLN D 35 6.304 -8.133 6.845 1.00 0.00 C ATOM 520 O GLN D 35 6.774 -6.997 6.797 1.00 0.00 O ATOM 521 CB GLN D 35 6.862 -9.370 8.935 1.00 0.00 C ATOM 522 CG GLN D 35 5.439 -9.754 9.315 1.00 0.00 C ATOM 523 CD GLN D 35 5.033 -11.102 8.760 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.667 -12.119 9.044 1.00 0.00 O ATOM 525 NE2 GLN D 35 3.974 -11.119 7.965 1.00 0.00 N ATOM 0 H GLN D 35 8.964 -8.352 7.715 1.00 0.00 H new ATOM 0 HA GLN D 35 6.797 -10.213 6.958 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.549 -10.101 9.361 1.00 0.00 H new ATOM 0 HB3 GLN D 35 7.099 -8.407 9.388 1.00 0.00 H new ATOM 0 HG2 GLN D 35 5.349 -9.770 10.401 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.751 -8.992 8.949 1.00 0.00 H new ATOM 0 HE21 GLN D 35 3.479 -10.252 7.757 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.654 -11.999 7.561 1.00 0.00 H new ATOM 534 N LEU D 36 5.086 -8.428 6.434 1.00 0.00 N ATOM 535 CA LEU D 36 4.200 -7.420 5.884 1.00 0.00 C ATOM 536 C LEU D 36 2.959 -7.298 6.745 1.00 0.00 C ATOM 537 O LEU D 36 2.469 -8.289 7.289 1.00 0.00 O ATOM 538 CB LEU D 36 3.887 -7.783 4.433 1.00 0.00 C ATOM 539 CG LEU D 36 2.926 -6.873 3.645 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.496 -7.035 4.116 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.342 -5.412 3.747 1.00 0.00 C ATOM 0 H LEU D 36 4.685 -9.365 6.471 1.00 0.00 H new ATOM 0 HA LEU D 36 4.675 -6.439 5.886 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.831 -7.821 3.889 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.473 -8.791 4.424 1.00 0.00 H new ATOM 0 HG LEU D 36 2.981 -7.180 2.601 1.00 0.00 H new ATOM 0 HD11 LEU D 36 0.846 -6.378 3.538 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.182 -8.070 3.977 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.429 -6.774 5.172 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.645 -4.795 3.181 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.333 -5.103 4.792 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.346 -5.290 3.341 1.00 0.00 H new ATOM 553 N LYS D 37 2.569 -6.060 7.000 1.00 0.00 N ATOM 554 CA LYS D 37 1.516 -5.770 7.958 1.00 0.00 C ATOM 555 C LYS D 37 0.534 -4.756 7.377 1.00 0.00 C ATOM 556 O LYS D 37 0.879 -3.589 7.233 1.00 0.00 O ATOM 557 CB LYS D 37 2.162 -5.166 9.208 1.00 0.00 C ATOM 558 CG LYS D 37 3.382 -5.932 9.722 1.00 0.00 C ATOM 559 CD LYS D 37 3.053 -7.309 10.292 1.00 0.00 C ATOM 560 CE LYS D 37 2.009 -7.253 11.403 1.00 0.00 C ATOM 561 NZ LYS D 37 1.828 -8.577 12.056 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.969 -5.235 6.553 1.00 0.00 H new ATOM 0 HA LYS D 37 0.978 -6.688 8.197 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.458 -4.140 8.989 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.416 -5.120 10.002 1.00 0.00 H new ATOM 0 HG2 LYS D 37 4.096 -6.048 8.906 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.873 -5.338 10.493 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.690 -7.952 9.490 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.965 -7.765 10.678 1.00 0.00 H new ATOM 0 HE2 LYS D 37 2.311 -6.518 12.149 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.057 -6.917 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 1.111 -8.499 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 1.516 -9.273 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.730 -8.886 12.471 1.00 0.00 H new ATOM 575 N ALA D 38 -0.689 -5.169 7.077 1.00 0.00 N ATOM 576 CA ALA D 38 -1.682 -4.236 6.556 1.00 0.00 C ATOM 577 C ALA D 38 -2.884 -4.129 7.476 1.00 0.00 C ATOM 578 O ALA D 38 -3.267 -5.093 8.138 1.00 0.00 O ATOM 579 CB ALA D 38 -2.119 -4.642 5.161 1.00 0.00 C ATOM 0 H ALA D 38 -1.016 -6.129 7.183 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.213 -3.253 6.504 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.860 -3.933 4.791 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.256 -4.645 4.496 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.556 -5.640 5.193 1.00 0.00 H new ATOM 585 N THR D 39 -3.452 -2.937 7.517 1.00 0.00 N ATOM 586 CA THR D 39 -4.599 -2.640 8.353 1.00 0.00 C ATOM 587 C THR D 39 -5.556 -1.685 7.647 1.00 0.00 C ATOM 588 O THR D 39 -5.169 -0.608 7.223 1.00 0.00 O ATOM 589 CB THR D 39 -4.132 -2.045 9.690 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.102 -1.101 9.489 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.631 -3.070 10.682 1.00 0.00 C ATOM 0 H THR D 39 -3.127 -2.142 6.966 1.00 0.00 H new ATOM 0 HA THR D 39 -5.136 -3.569 8.547 1.00 0.00 H new ATOM 0 HB THR D 39 -5.023 -1.578 10.110 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.821 -0.734 10.353 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.321 -2.568 11.598 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.429 -3.778 10.908 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.782 -3.604 10.256 1.00 0.00 H new ATOM 599 N SER D 40 -6.828 -2.017 7.660 1.00 0.00 N ATOM 600 CA SER D 40 -7.851 -1.112 7.166 1.00 0.00 C ATOM 601 C SER D 40 -8.615 -0.579 8.341 1.00 0.00 C ATOM 602 O SER D 40 -9.044 -1.338 9.214 1.00 0.00 O ATOM 603 CB SER D 40 -8.795 -1.819 6.213 1.00 0.00 C ATOM 604 OG SER D 40 -9.301 -3.016 6.781 1.00 0.00 O ATOM 0 H SER D 40 -7.183 -2.908 8.007 1.00 0.00 H new ATOM 0 HA SER D 40 -7.377 -0.298 6.617 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.622 -1.156 5.959 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.273 -2.047 5.284 1.00 0.00 H new ATOM 0 HG SER D 40 -9.440 -2.888 7.743 1.00 0.00 H new ATOM 610 N SER D 41 -8.751 0.718 8.400 1.00 0.00 N ATOM 611 CA SER D 41 -9.433 1.304 9.532 1.00 0.00 C ATOM 612 C SER D 41 -10.893 1.530 9.188 1.00 0.00 C ATOM 613 O SER D 41 -11.245 1.631 8.006 1.00 0.00 O ATOM 614 CB SER D 41 -8.760 2.598 9.987 1.00 0.00 C ATOM 615 OG SER D 41 -7.395 2.377 10.307 1.00 0.00 O ATOM 0 H SER D 41 -8.411 1.378 7.701 1.00 0.00 H new ATOM 0 HA SER D 41 -9.374 0.609 10.370 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.836 3.348 9.199 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.281 2.996 10.857 1.00 0.00 H new ATOM 0 HG SER D 41 -6.986 3.220 10.594 1.00 0.00 H new ATOM 621 N ASN D 42 -11.737 1.391 10.212 1.00 0.00 N ATOM 622 CA ASN D 42 -13.195 1.348 10.065 1.00 0.00 C ATOM 623 C ASN D 42 -13.634 -0.045 9.627 1.00 0.00 C ATOM 624 O ASN D 42 -14.828 -0.331 9.547 1.00 0.00 O ATOM 625 CB ASN D 42 -13.717 2.425 9.113 1.00 0.00 C ATOM 626 CG ASN D 42 -13.393 3.817 9.615 1.00 0.00 C ATOM 627 OD1 ASN D 42 -13.798 4.204 10.713 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.657 4.578 8.822 1.00 0.00 N ATOM 0 H ASN D 42 -11.424 1.304 11.179 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.634 1.564 11.039 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.278 2.282 8.125 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -14.796 2.320 9.000 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.405 5.523 9.112 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.342 4.220 7.920 1.00 0.00 H new ATOM 635 N ALA D 43 -12.652 -0.951 9.580 1.00 0.00 N ATOM 636 CA ALA D 43 -12.890 -2.389 9.431 1.00 0.00 C ATOM 637 C ALA D 43 -13.827 -2.757 8.275 1.00 0.00 C ATOM 638 O ALA D 43 -14.809 -3.470 8.493 1.00 0.00 O ATOM 639 CB ALA D 43 -13.427 -2.964 10.736 1.00 0.00 C ATOM 0 H ALA D 43 -11.664 -0.705 9.645 1.00 0.00 H new ATOM 0 HA ALA D 43 -11.923 -2.828 9.185 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.602 -4.033 10.618 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -12.700 -2.801 11.532 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.364 -2.470 10.993 1.00 0.00 H new ATOM 645 N GLY D 44 -13.441 -2.456 7.034 1.00 0.00 N ATOM 646 CA GLY D 44 -14.201 -2.983 5.925 1.00 0.00 C ATOM 647 C GLY D 44 -14.691 -1.964 4.929 1.00 0.00 C ATOM 648 O GLY D 44 -15.209 -2.333 3.883 1.00 0.00 O ATOM 0 H GLY D 44 -12.640 -1.874 6.788 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.584 -3.712 5.399 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.062 -3.521 6.321 1.00 0.00 H new ATOM 652 N TYR D 45 -14.601 -0.700 5.265 1.00 0.00 N ATOM 653 CA TYR D 45 -15.111 0.347 4.383 1.00 0.00 C ATOM 654 C TYR D 45 -14.080 0.752 3.330 1.00 0.00 C ATOM 655 O TYR D 45 -12.874 0.622 3.543 1.00 0.00 O ATOM 656 CB TYR D 45 -15.550 1.579 5.186 1.00 0.00 C ATOM 657 CG TYR D 45 -16.791 1.360 6.048 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.777 2.342 6.168 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.984 0.167 6.740 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.901 2.135 6.943 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.106 -0.042 7.515 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.060 0.943 7.613 1.00 0.00 C ATOM 663 OH TYR D 45 -20.180 0.738 8.383 1.00 0.00 O ATOM 0 H TYR D 45 -14.185 -0.363 6.133 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.978 -0.066 3.868 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.727 1.891 5.828 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.743 2.399 4.494 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.658 3.280 5.645 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.239 -0.612 6.668 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.653 2.906 7.023 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.234 -0.976 8.043 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.140 -0.154 8.788 1.00 0.00 H new ATOM 673 N GLY D 46 -14.569 1.323 2.229 1.00 0.00 N ATOM 674 CA GLY D 46 -13.695 1.847 1.187 1.00 0.00 C ATOM 675 C GLY D 46 -13.556 3.340 1.309 1.00 0.00 C ATOM 676 O GLY D 46 -14.098 3.909 2.236 1.00 0.00 O ATOM 0 H GLY D 46 -15.565 1.433 2.039 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.713 1.379 1.259 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.098 1.593 0.206 1.00 0.00 H new ATOM 680 N ILE D 47 -12.887 3.981 0.353 1.00 0.00 N ATOM 681 CA ILE D 47 -12.746 5.441 0.347 1.00 0.00 C ATOM 682 C ILE D 47 -14.080 6.089 0.586 1.00 0.00 C ATOM 683 O ILE D 47 -14.271 6.877 1.512 1.00 0.00 O ATOM 684 CB ILE D 47 -12.302 5.932 -1.015 1.00 0.00 C ATOM 685 CG1 ILE D 47 -11.093 5.167 -1.474 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.999 7.422 -0.984 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.893 5.305 -0.563 1.00 0.00 C ATOM 0 H ILE D 47 -12.432 3.513 -0.431 1.00 0.00 H new ATOM 0 HA ILE D 47 -12.020 5.693 1.120 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.117 5.764 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.354 4.112 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.819 5.507 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.682 7.750 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.895 7.969 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.203 7.616 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -9.063 4.723 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.604 6.354 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -10.147 4.937 0.431 1.00 0.00 H new ATOM 699 N SER D 48 -14.986 5.740 -0.305 1.00 0.00 N ATOM 700 CA SER D 48 -16.339 6.244 -0.290 1.00 0.00 C ATOM 701 C SER D 48 -17.135 5.550 -1.392 1.00 0.00 C ATOM 702 O SER D 48 -17.329 4.333 -1.342 1.00 0.00 O ATOM 703 CB SER D 48 -16.317 7.767 -0.459 1.00 0.00 C ATOM 704 OG SER D 48 -15.694 8.164 -1.676 1.00 0.00 O ATOM 0 H SER D 48 -14.798 5.090 -1.068 1.00 0.00 H new ATOM 0 HA SER D 48 -16.825 6.029 0.662 1.00 0.00 H new ATOM 0 HB2 SER D 48 -17.338 8.148 -0.434 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.788 8.217 0.381 1.00 0.00 H new ATOM 0 HG SER D 48 -15.703 9.142 -1.744 1.00 0.00 H new ATOM 710 N TYR D 49 -17.337 6.256 -2.486 1.00 0.00 N ATOM 711 CA TYR D 49 -17.806 5.644 -3.714 1.00 0.00 C ATOM 712 C TYR D 49 -17.096 6.257 -4.906 1.00 0.00 C ATOM 713 O TYR D 49 -17.640 7.091 -5.632 1.00 0.00 O ATOM 714 CB TYR D 49 -19.331 5.707 -3.851 1.00 0.00 C ATOM 715 CG TYR D 49 -19.992 6.998 -3.358 1.00 0.00 C ATOM 716 CD1 TYR D 49 -21.071 6.957 -2.467 1.00 0.00 C ATOM 717 CD2 TYR D 49 -19.551 8.252 -3.780 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.677 8.113 -2.025 1.00 0.00 C ATOM 719 CE2 TYR D 49 -20.158 9.411 -3.334 1.00 0.00 C ATOM 720 CZ TYR D 49 -21.219 9.337 -2.459 1.00 0.00 C ATOM 721 OH TYR D 49 -21.829 10.488 -2.018 1.00 0.00 O ATOM 0 H TYR D 49 -17.182 7.262 -2.550 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.557 4.583 -3.679 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.589 5.567 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.761 4.869 -3.303 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.435 6.002 -2.120 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -18.721 8.319 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -22.510 8.059 -1.339 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -19.801 10.373 -3.671 1.00 0.00 H new ATOM 0 HH TYR D 49 -21.386 11.266 -2.416 1.00 0.00 H new ATOM 731 N GLU D 50 -15.862 5.824 -5.089 1.00 0.00 N ATOM 732 CA GLU D 50 -15.023 6.295 -6.172 1.00 0.00 C ATOM 733 C GLU D 50 -14.231 5.137 -6.758 1.00 0.00 C ATOM 734 O GLU D 50 -14.269 4.025 -6.226 1.00 0.00 O ATOM 735 CB GLU D 50 -14.046 7.354 -5.667 1.00 0.00 C ATOM 736 CG GLU D 50 -14.686 8.654 -5.225 1.00 0.00 C ATOM 737 CD GLU D 50 -13.663 9.633 -4.711 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.992 9.314 -3.710 1.00 0.00 O ATOM 739 OE2 GLU D 50 -13.506 10.708 -5.318 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.413 5.133 -4.488 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.666 6.729 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.484 6.939 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.327 7.570 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -15.225 9.097 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -15.420 8.451 -4.445 1.00 0.00 H new ATOM 746 N ASP D 51 -13.424 5.412 -7.776 1.00 0.00 N ATOM 747 CA ASP D 51 -12.549 4.385 -8.310 1.00 0.00 C ATOM 748 C ASP D 51 -11.096 4.822 -8.315 1.00 0.00 C ATOM 749 O ASP D 51 -10.777 5.990 -8.526 1.00 0.00 O ATOM 750 CB ASP D 51 -13.011 3.920 -9.695 1.00 0.00 C ATOM 751 CG ASP D 51 -12.977 5.004 -10.752 1.00 0.00 C ATOM 752 OD1 ASP D 51 -11.886 5.522 -11.056 1.00 0.00 O ATOM 753 OD2 ASP D 51 -14.050 5.333 -11.292 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.360 6.319 -8.238 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.615 3.527 -7.641 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.380 3.092 -10.018 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.028 3.535 -9.617 1.00 0.00 H new ATOM 758 N LYS D 52 -10.231 3.870 -7.978 1.00 0.00 N ATOM 759 CA LYS D 52 -8.806 4.103 -7.828 1.00 0.00 C ATOM 760 C LYS D 52 -8.052 2.868 -8.259 1.00 0.00 C ATOM 761 O LYS D 52 -8.398 1.768 -7.846 1.00 0.00 O ATOM 762 CB LYS D 52 -8.423 4.410 -6.378 1.00 0.00 C ATOM 763 CG LYS D 52 -8.899 5.747 -5.832 1.00 0.00 C ATOM 764 CD LYS D 52 -10.372 5.750 -5.446 1.00 0.00 C ATOM 765 CE LYS D 52 -10.822 7.151 -5.062 1.00 0.00 C ATOM 766 NZ LYS D 52 -10.009 7.715 -3.949 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.508 2.904 -7.800 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.549 4.964 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.820 3.618 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.337 4.371 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.301 6.009 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.725 6.520 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.973 5.385 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.536 5.068 -4.612 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.750 7.805 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.871 7.126 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.539 8.480 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.802 6.967 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -9.117 8.093 -4.327 1.00 0.00 H new ATOM 780 N ASN D 53 -6.981 3.047 -9.004 1.00 0.00 N ATOM 781 CA ASN D 53 -6.138 1.922 -9.375 1.00 0.00 C ATOM 782 C ASN D 53 -4.815 2.006 -8.647 1.00 0.00 C ATOM 783 O ASN D 53 -4.201 3.071 -8.580 1.00 0.00 O ATOM 784 CB ASN D 53 -5.904 1.864 -10.883 1.00 0.00 C ATOM 785 CG ASN D 53 -7.156 1.522 -11.672 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.102 1.391 -12.894 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.294 1.383 -10.995 1.00 0.00 N ATOM 0 H ASN D 53 -6.673 3.951 -9.363 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.656 1.008 -9.085 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.521 2.827 -11.222 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.134 1.122 -11.096 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.158 1.161 -11.490 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.302 1.499 -9.982 1.00 0.00 H new ATOM 794 N TRP D 54 -4.427 0.914 -8.016 1.00 0.00 N ATOM 795 CA TRP D 54 -3.233 0.910 -7.196 1.00 0.00 C ATOM 796 C TRP D 54 -2.232 -0.150 -7.599 1.00 0.00 C ATOM 797 O TRP D 54 -2.572 -1.132 -8.257 1.00 0.00 O ATOM 798 CB TRP D 54 -3.584 0.711 -5.731 1.00 0.00 C ATOM 799 CG TRP D 54 -3.487 1.966 -4.948 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.245 3.096 -5.039 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.493 2.222 -3.982 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.767 4.041 -4.160 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.683 3.516 -3.504 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.456 1.460 -3.472 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.852 4.061 -2.538 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.652 2.007 -2.515 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.848 3.296 -2.060 1.00 0.00 C ATOM 0 H TRP D 54 -4.920 0.022 -8.056 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.770 1.885 -7.351 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.597 0.316 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.917 -0.035 -5.299 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.090 3.229 -5.699 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.154 4.974 -4.020 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.287 0.453 -3.824 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -2.003 5.068 -2.178 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.155 1.419 -2.104 1.00 0.00 H new ATOM 0 HH2 TRP D 54 -0.186 3.699 -1.308 1.00 0.00 H new ATOM 818 N GLY D 55 -1.015 0.007 -7.088 1.00 0.00 N ATOM 819 CA GLY D 55 0.004 -0.993 -7.289 1.00 0.00 C ATOM 820 C GLY D 55 1.071 -0.978 -6.205 1.00 0.00 C ATOM 821 O GLY D 55 1.108 -0.095 -5.348 1.00 0.00 O ATOM 0 H GLY D 55 -0.721 0.814 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.462 -1.978 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.476 -0.834 -8.258 1.00 0.00 H new ATOM 825 N ILE D 56 1.901 -2.002 -6.247 1.00 0.00 N ATOM 826 CA ILE D 56 2.982 -2.246 -5.287 1.00 0.00 C ATOM 827 C ILE D 56 4.200 -2.709 -6.071 1.00 0.00 C ATOM 828 O ILE D 56 4.099 -3.657 -6.842 1.00 0.00 O ATOM 829 CB ILE D 56 2.548 -3.349 -4.298 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.342 -2.890 -3.476 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.693 -3.730 -3.381 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.697 -4.002 -2.679 1.00 0.00 C ATOM 0 H ILE D 56 1.847 -2.717 -6.972 1.00 0.00 H new ATOM 0 HA ILE D 56 3.213 -1.341 -4.725 1.00 0.00 H new ATOM 0 HB ILE D 56 2.262 -4.228 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.657 -2.100 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.600 -2.456 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.364 -4.509 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.528 -4.100 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.011 -2.855 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.151 -3.605 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.352 -4.782 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.425 -4.421 -1.984 1.00 0.00 H new ATOM 844 N PHE D 57 5.251 -1.904 -6.081 1.00 0.00 N ATOM 845 CA PHE D 57 6.332 -2.131 -7.032 1.00 0.00 C ATOM 846 C PHE D 57 7.641 -2.491 -6.335 1.00 0.00 C ATOM 847 O PHE D 57 8.350 -1.613 -5.849 1.00 0.00 O ATOM 848 CB PHE D 57 6.542 -0.896 -7.928 1.00 0.00 C ATOM 849 CG PHE D 57 5.285 -0.399 -8.597 1.00 0.00 C ATOM 850 CD1 PHE D 57 5.087 -0.573 -9.955 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.303 0.254 -7.867 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.934 -0.113 -10.561 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.160 0.710 -8.462 1.00 0.00 C ATOM 854 CZ PHE D 57 2.968 0.527 -9.808 1.00 0.00 C ATOM 0 H PHE D 57 5.380 -1.106 -5.459 1.00 0.00 H new ATOM 0 HA PHE D 57 6.036 -2.978 -7.651 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.963 -0.091 -7.326 1.00 0.00 H new ATOM 0 HB3 PHE D 57 7.278 -1.138 -8.695 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.840 -1.073 -10.546 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.444 0.405 -6.807 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.788 -0.253 -11.622 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.408 1.214 -7.873 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.063 0.883 -10.278 1.00 0.00 H new ATOM 864 N VAL D 58 8.011 -3.765 -6.410 1.00 0.00 N ATOM 865 CA VAL D 58 9.305 -4.227 -5.911 1.00 0.00 C ATOM 866 C VAL D 58 10.390 -3.981 -6.953 1.00 0.00 C ATOM 867 O VAL D 58 10.466 -4.701 -7.948 1.00 0.00 O ATOM 868 CB VAL D 58 9.269 -5.730 -5.562 1.00 0.00 C ATOM 869 CG1 VAL D 58 10.643 -6.247 -5.167 1.00 0.00 C ATOM 870 CG2 VAL D 58 8.279 -5.991 -4.445 1.00 0.00 C ATOM 0 H VAL D 58 7.431 -4.501 -6.813 1.00 0.00 H new ATOM 0 HA VAL D 58 9.528 -3.664 -5.005 1.00 0.00 H new ATOM 0 HB VAL D 58 8.951 -6.266 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL D 58 10.578 -7.309 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL D 58 11.338 -6.103 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL D 58 11.000 -5.700 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL D 58 8.266 -7.056 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.574 -5.429 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL D 58 7.284 -5.677 -4.760 1.00 0.00 H new ATOM 880 N ASN D 59 11.175 -2.922 -6.760 1.00 0.00 N ATOM 881 CA ASN D 59 12.204 -2.524 -7.730 1.00 0.00 C ATOM 882 C ASN D 59 11.570 -2.238 -9.085 1.00 0.00 C ATOM 883 O ASN D 59 12.078 -2.663 -10.123 1.00 0.00 O ATOM 884 CB ASN D 59 13.281 -3.606 -7.890 1.00 0.00 C ATOM 885 CG ASN D 59 14.040 -3.881 -6.611 1.00 0.00 C ATOM 886 OD1 ASN D 59 14.686 -2.994 -6.057 1.00 0.00 O ATOM 887 ND2 ASN D 59 13.972 -5.116 -6.139 1.00 0.00 N ATOM 0 H ASN D 59 11.120 -2.320 -5.939 1.00 0.00 H new ATOM 0 HA ASN D 59 12.680 -1.621 -7.348 1.00 0.00 H new ATOM 0 HB2 ASN D 59 12.813 -4.529 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.984 -3.299 -8.664 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.468 -5.363 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN D 59 13.424 -5.821 -6.632 1.00 0.00 H new ATOM 894 N GLY D 60 10.449 -1.533 -9.064 1.00 0.00 N ATOM 895 CA GLY D 60 9.743 -1.213 -10.283 1.00 0.00 C ATOM 896 C GLY D 60 9.065 -2.417 -10.896 1.00 0.00 C ATOM 897 O GLY D 60 9.113 -2.622 -12.110 1.00 0.00 O ATOM 0 H GLY D 60 10.014 -1.174 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.996 -0.447 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.443 -0.789 -11.003 1.00 0.00 H new ATOM 901 N GLU D 61 8.393 -3.183 -10.053 1.00 0.00 N ATOM 902 CA GLU D 61 7.637 -4.341 -10.486 1.00 0.00 C ATOM 903 C GLU D 61 6.301 -4.374 -9.768 1.00 0.00 C ATOM 904 O GLU D 61 6.247 -4.670 -8.575 1.00 0.00 O ATOM 905 CB GLU D 61 8.394 -5.628 -10.174 1.00 0.00 C ATOM 906 CG GLU D 61 9.775 -5.704 -10.795 1.00 0.00 C ATOM 907 CD GLU D 61 10.453 -7.023 -10.524 1.00 0.00 C ATOM 908 OE1 GLU D 61 11.609 -7.193 -10.952 1.00 0.00 O ATOM 909 OE2 GLU D 61 9.831 -7.891 -9.883 1.00 0.00 O1- ATOM 0 H GLU D 61 8.358 -3.017 -9.047 1.00 0.00 H new ATOM 0 HA GLU D 61 7.486 -4.268 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.488 -5.727 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.804 -6.476 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU D 61 9.695 -5.553 -11.872 1.00 0.00 H new ATOM 0 HG3 GLU D 61 10.391 -4.894 -10.405 1.00 0.00 H new ATOM 916 N LYS D 62 5.233 -4.040 -10.475 1.00 0.00 N ATOM 917 CA LYS D 62 3.910 -4.007 -9.871 1.00 0.00 C ATOM 918 C LYS D 62 3.446 -5.433 -9.581 1.00 0.00 C ATOM 919 O LYS D 62 3.067 -6.169 -10.493 1.00 0.00 O ATOM 920 CB LYS D 62 2.922 -3.319 -10.813 1.00 0.00 C ATOM 921 CG LYS D 62 1.552 -3.071 -10.198 1.00 0.00 C ATOM 922 CD LYS D 62 0.548 -2.582 -11.235 1.00 0.00 C ATOM 923 CE LYS D 62 0.945 -1.265 -11.883 1.00 0.00 C ATOM 924 NZ LYS D 62 -0.022 -0.862 -12.938 1.00 0.00 N1+ ATOM 0 H LYS D 62 5.255 -3.789 -11.463 1.00 0.00 H new ATOM 0 HA LYS D 62 3.955 -3.446 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS D 62 3.344 -2.366 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.802 -3.930 -11.707 1.00 0.00 H new ATOM 0 HG2 LYS D 62 1.186 -3.991 -9.743 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.639 -2.333 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS D 62 0.437 -3.341 -12.009 1.00 0.00 H new ATOM 0 HD3 LYS D 62 -0.426 -2.466 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS D 62 1.000 -0.486 -11.122 1.00 0.00 H new ATOM 0 HE3 LYS D 62 1.941 -1.358 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 0.169 0.118 -13.228 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 0.078 -1.492 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -0.991 -0.930 -12.565 1.00 0.00 H new ATOM 938 N VAL D 63 3.586 -5.856 -8.333 1.00 0.00 N ATOM 939 CA VAL D 63 3.297 -7.230 -7.960 1.00 0.00 C ATOM 940 C VAL D 63 1.834 -7.431 -7.578 1.00 0.00 C ATOM 941 O VAL D 63 1.335 -8.558 -7.612 1.00 0.00 O ATOM 942 CB VAL D 63 4.204 -7.705 -6.815 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.667 -7.623 -7.221 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.958 -6.911 -5.540 1.00 0.00 C ATOM 0 H VAL D 63 3.898 -5.266 -7.562 1.00 0.00 H new ATOM 0 HA VAL D 63 3.500 -7.834 -8.844 1.00 0.00 H new ATOM 0 HB VAL D 63 3.957 -8.746 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL D 63 6.293 -7.964 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.839 -8.255 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.919 -6.591 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.617 -7.275 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL D 63 4.160 -5.856 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.920 -7.033 -5.230 1.00 0.00 H new ATOM 954 N TYR D 64 1.140 -6.350 -7.236 1.00 0.00 N ATOM 955 CA TYR D 64 -0.271 -6.448 -6.877 1.00 0.00 C ATOM 956 C TYR D 64 -1.033 -5.187 -7.274 1.00 0.00 C ATOM 957 O TYR D 64 -0.554 -4.071 -7.069 1.00 0.00 O ATOM 958 CB TYR D 64 -0.436 -6.705 -5.376 1.00 0.00 C ATOM 959 CG TYR D 64 -1.876 -6.948 -4.969 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.685 -7.798 -5.712 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.432 -6.322 -3.859 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.002 -8.016 -5.365 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.750 -6.542 -3.507 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.530 -7.387 -4.263 1.00 0.00 C ATOM 965 OH TYR D 64 -5.847 -7.595 -3.924 1.00 0.00 O ATOM 0 H TYR D 64 1.526 -5.406 -7.200 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.689 -7.291 -7.427 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.166 -7.569 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.047 -5.850 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.275 -8.297 -6.577 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.826 -5.655 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.616 -8.678 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.167 -6.052 -2.640 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.063 -7.079 -3.120 1.00 0.00 H new ATOM 975 N THR D 65 -2.252 -5.379 -7.769 1.00 0.00 N ATOM 976 CA THR D 65 -3.133 -4.274 -8.113 1.00 0.00 C ATOM 977 C THR D 65 -4.420 -4.345 -7.292 1.00 0.00 C ATOM 978 O THR D 65 -5.225 -5.263 -7.472 1.00 0.00 O ATOM 979 CB THR D 65 -3.471 -4.297 -9.589 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.302 -4.277 -10.394 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.357 -3.146 -10.030 1.00 0.00 C ATOM 0 H THR D 65 -2.653 -6.301 -7.941 1.00 0.00 H new ATOM 0 HA THR D 65 -2.612 -3.344 -7.885 1.00 0.00 H new ATOM 0 HB THR D 65 -4.019 -5.229 -9.728 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.556 -4.294 -11.340 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.557 -3.229 -11.098 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.298 -3.180 -9.481 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.853 -2.201 -9.827 1.00 0.00 H new ATOM 989 N PHE D 66 -4.666 -3.327 -6.477 1.00 0.00 N ATOM 990 CA PHE D 66 -5.924 -3.234 -5.744 1.00 0.00 C ATOM 991 C PHE D 66 -6.603 -1.926 -6.070 1.00 0.00 C ATOM 992 O PHE D 66 -5.957 -0.965 -6.477 1.00 0.00 O ATOM 993 CB PHE D 66 -5.720 -3.413 -4.235 1.00 0.00 C ATOM 994 CG PHE D 66 -4.901 -2.362 -3.520 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.416 -1.096 -3.285 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.628 -2.657 -3.051 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.682 -0.149 -2.598 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.886 -1.709 -2.368 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.417 -0.454 -2.139 1.00 0.00 C ATOM 0 H PHE D 66 -4.017 -2.559 -6.307 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.573 -4.050 -6.060 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.702 -3.455 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.246 -4.381 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.404 -0.847 -3.644 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.211 -3.639 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -5.099 0.831 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.894 -1.950 -2.015 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.843 0.287 -1.602 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.908 -1.910 -5.964 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.672 -0.732 -6.312 1.00 0.00 C ATOM 1011 C ASN D 67 -9.431 -0.265 -5.096 1.00 0.00 C ATOM 1012 O ASN D 67 -10.016 -1.084 -4.404 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.647 -1.042 -7.454 1.00 0.00 C ATOM 1014 CG ASN D 67 -8.947 -1.562 -8.694 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.083 -0.895 -9.262 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.314 -2.759 -9.125 1.00 0.00 N ATOM 0 H ASN D 67 -8.467 -2.699 -5.639 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.994 0.052 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.374 -1.780 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.203 -0.139 -7.707 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -8.876 -3.158 -9.955 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.034 -3.282 -8.627 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.432 1.040 -4.834 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.148 1.577 -3.675 1.00 0.00 C ATOM 1025 C GLU D 68 -11.655 1.383 -3.834 1.00 0.00 C ATOM 1026 O GLU D 68 -12.408 1.461 -2.860 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.825 3.046 -3.446 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.340 3.357 -3.318 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.674 2.620 -2.176 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.627 1.377 -2.216 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -7.217 3.296 -1.234 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.952 1.740 -5.400 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.813 1.022 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.234 3.627 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.332 3.379 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.839 3.098 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.211 4.430 -3.174 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.044 0.938 -5.030 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.403 0.478 -5.286 1.00 0.00 C ATOM 1040 C LYS D 69 -13.670 -0.691 -4.368 1.00 0.00 C ATOM 1041 O LYS D 69 -14.596 -0.674 -3.556 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.521 -0.015 -6.720 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.064 1.003 -7.742 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.074 0.465 -9.175 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.478 0.166 -9.700 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.138 -0.967 -8.997 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.428 0.888 -5.841 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.108 1.292 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.931 -0.924 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.559 -0.281 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.709 1.880 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.056 1.332 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -12.595 1.192 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.476 -0.446 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.095 1.058 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.420 -0.060 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -15.629 -1.567 -9.690 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -14.421 -1.531 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -15.826 -0.596 -8.311 1.00 0.00 H new ATOM 1060 N SER D 70 -12.697 -1.595 -4.369 1.00 0.00 N ATOM 1061 CA SER D 70 -12.642 -2.653 -3.397 1.00 0.00 C ATOM 1062 C SER D 70 -12.380 -2.027 -2.043 1.00 0.00 C ATOM 1063 O SER D 70 -11.495 -1.187 -1.910 1.00 0.00 O ATOM 1064 CB SER D 70 -11.539 -3.654 -3.742 1.00 0.00 C ATOM 1065 OG SER D 70 -11.578 -4.775 -2.870 1.00 0.00 O ATOM 0 H SER D 70 -11.933 -1.606 -5.045 1.00 0.00 H new ATOM 0 HA SER D 70 -13.586 -3.198 -3.389 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.655 -3.987 -4.773 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.566 -3.167 -3.671 1.00 0.00 H new ATOM 0 HG SER D 70 -10.865 -5.402 -3.111 1.00 0.00 H new ATOM 1071 N THR D 71 -13.150 -2.403 -1.049 1.00 0.00 N ATOM 1072 CA THR D 71 -12.971 -1.843 0.271 1.00 0.00 C ATOM 1073 C THR D 71 -11.575 -2.153 0.784 1.00 0.00 C ATOM 1074 O THR D 71 -11.148 -3.301 0.748 1.00 0.00 O ATOM 1075 CB THR D 71 -14.019 -2.402 1.209 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.937 -3.813 1.291 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.432 -2.050 0.805 1.00 0.00 C ATOM 0 H THR D 71 -13.901 -3.089 -1.127 1.00 0.00 H new ATOM 0 HA THR D 71 -13.087 -0.760 0.221 1.00 0.00 H new ATOM 0 HB THR D 71 -13.804 -1.943 2.174 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.625 -4.146 1.905 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.133 -2.482 1.519 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.548 -0.966 0.793 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.636 -2.448 -0.189 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.852 -1.124 1.227 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.501 -1.287 1.715 1.00 0.00 C ATOM 1087 C VAL D 72 -9.430 -2.297 2.861 1.00 0.00 C ATOM 1088 O VAL D 72 -8.378 -2.877 3.128 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.842 0.054 2.107 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.690 0.324 1.158 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.823 1.222 2.019 1.00 0.00 C ATOM 0 H VAL D 72 -11.193 -0.163 1.254 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.923 -1.688 0.882 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.501 -0.028 3.139 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.214 1.268 1.422 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.961 -0.483 1.232 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -8.066 0.381 0.136 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.317 2.145 2.303 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.192 1.311 0.997 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.661 1.045 2.694 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.602 -2.657 3.371 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.723 -3.763 4.278 1.00 0.00 C ATOM 1103 C GLY D 73 -10.568 -5.090 3.578 1.00 0.00 C ATOM 1104 O GLY D 73 -9.652 -5.854 3.877 1.00 0.00 O ATOM 0 H GLY D 73 -11.482 -2.186 3.162 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.968 -3.675 5.059 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.695 -3.724 4.769 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.432 -5.327 2.592 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.364 -6.535 1.772 1.00 0.00 C ATOM 1110 C ASN D 74 -10.039 -6.600 1.029 1.00 0.00 C ATOM 1111 O ASN D 74 -9.532 -7.679 0.727 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.519 -6.558 0.766 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.483 -7.776 -0.132 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.559 -8.913 0.339 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.360 -7.552 -1.431 1.00 0.00 N ATOM 0 H ASN D 74 -12.191 -4.694 2.341 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.444 -7.400 2.430 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.466 -6.536 1.305 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.480 -5.658 0.153 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.325 -8.336 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -12.300 -6.595 -1.780 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.455 -5.434 0.800 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.150 -5.350 0.152 1.00 0.00 C ATOM 1124 C ILE D 75 -7.047 -5.789 1.107 1.00 0.00 C ATOM 1125 O ILE D 75 -6.128 -6.492 0.715 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.838 -3.926 -0.325 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.853 -3.423 -1.373 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.423 -3.843 -0.867 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.589 -1.997 -1.795 1.00 0.00 C ATOM 0 H ILE D 75 -9.861 -4.533 1.052 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.188 -6.013 -0.712 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.923 -3.271 0.542 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.817 -4.070 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.860 -3.497 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.220 -2.825 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.716 -4.115 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.314 -4.529 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.331 -1.693 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.652 -1.343 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.593 -1.925 -2.231 1.00 0.00 H new ATOM 1141 N SER D 76 -7.148 -5.397 2.371 1.00 0.00 N ATOM 1142 CA SER D 76 -6.153 -5.801 3.358 1.00 0.00 C ATOM 1143 C SER D 76 -6.341 -7.251 3.742 1.00 0.00 C ATOM 1144 O SER D 76 -5.364 -7.933 4.049 1.00 0.00 O ATOM 1145 CB SER D 76 -6.179 -4.897 4.589 1.00 0.00 C ATOM 1146 OG SER D 76 -5.292 -5.360 5.597 1.00 0.00 O ATOM 0 H SER D 76 -7.897 -4.808 2.734 1.00 0.00 H new ATOM 0 HA SER D 76 -5.170 -5.693 2.900 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.906 -3.882 4.301 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.193 -4.853 4.988 1.00 0.00 H new ATOM 0 HG SER D 76 -5.332 -4.758 6.370 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.529 -7.776 3.475 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.716 -9.213 3.527 1.00 0.00 C ATOM 1154 C ASN D 77 -6.811 -9.835 2.481 1.00 0.00 C ATOM 1155 O ASN D 77 -6.104 -10.801 2.754 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.172 -9.611 3.258 1.00 0.00 C ATOM 1157 CG ASN D 77 -10.138 -9.166 4.342 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -11.344 -9.399 4.240 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -9.627 -8.539 5.391 1.00 0.00 N ATOM 0 H ASN D 77 -8.360 -7.239 3.226 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.468 -9.569 4.527 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.486 -9.183 2.306 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.230 -10.695 3.155 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -10.237 -8.232 6.149 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -8.623 -8.363 5.441 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.754 -9.184 1.312 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.846 -9.581 0.240 1.00 0.00 C ATOM 1168 C ASP D 78 -4.396 -9.351 0.607 1.00 0.00 C ATOM 1169 O ASP D 78 -3.530 -10.105 0.183 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.161 -8.849 -1.069 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.484 -9.257 -1.674 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.643 -10.445 -2.012 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -8.360 -8.388 -1.824 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.333 -8.374 1.088 1.00 0.00 H new ATOM 0 HA ASP D 78 -6.001 -10.650 0.095 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.169 -7.775 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.365 -9.043 -1.787 1.00 0.00 H new ATOM 1178 N ILE D 79 -4.108 -8.290 1.339 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.725 -7.994 1.652 1.00 0.00 C ATOM 1180 C ILE D 79 -2.162 -9.070 2.584 1.00 0.00 C ATOM 1181 O ILE D 79 -0.958 -9.324 2.594 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.525 -6.583 2.281 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.313 -5.514 1.524 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -1.054 -6.218 2.210 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -2.800 -5.256 0.127 1.00 0.00 C ATOM 0 H ILE D 79 -4.793 -7.636 1.718 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.181 -7.992 0.707 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.880 -6.620 3.311 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -4.358 -5.818 1.467 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -3.282 -4.583 2.090 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.902 -5.231 2.648 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.469 -6.954 2.762 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.732 -6.206 1.169 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.408 -4.486 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -1.764 -4.921 0.176 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.857 -6.175 -0.457 1.00 0.00 H new ATOM 1197 N ASN D 80 -3.058 -9.785 3.267 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.672 -10.922 4.080 1.00 0.00 C ATOM 1199 C ASN D 80 -2.215 -12.086 3.208 1.00 0.00 C ATOM 1200 O ASN D 80 -1.153 -12.657 3.448 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.836 -11.360 4.967 1.00 0.00 C ATOM 1202 CG ASN D 80 -4.187 -10.350 6.045 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -5.116 -10.567 6.823 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -3.446 -9.253 6.115 1.00 0.00 N ATOM 0 H ASN D 80 -4.059 -9.589 3.268 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.838 -10.617 4.712 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.713 -11.534 4.343 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -3.586 -12.311 5.438 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.637 -8.553 6.832 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.684 -9.109 5.452 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.966 -12.382 2.143 1.00 0.00 N ATOM 1212 CA LYS D 81 -2.536 -13.416 1.203 1.00 0.00 C ATOM 1213 C LYS D 81 -1.273 -12.998 0.461 1.00 0.00 C ATOM 1214 O LYS D 81 -0.236 -13.643 0.596 1.00 0.00 O ATOM 1215 CB LYS D 81 -3.612 -13.843 0.184 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.753 -12.871 -0.076 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.888 -13.092 0.917 1.00 0.00 C ATOM 1218 CE LYS D 81 -7.189 -12.447 0.456 1.00 0.00 C ATOM 1219 NZ LYS D 81 -7.588 -12.875 -0.912 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.853 -11.932 1.915 1.00 0.00 H new ATOM 0 HA LYS D 81 -2.335 -14.287 1.827 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -3.116 -14.043 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -4.042 -14.785 0.523 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -4.389 -11.847 0.003 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -5.123 -13.001 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -6.044 -14.162 1.056 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.605 -12.683 1.887 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -7.984 -12.700 1.158 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -7.079 -11.363 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -8.606 -13.086 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -7.383 -12.112 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.054 -13.727 -1.179 1.00 0.00 H new ATOM 1233 N LEU D 82 -1.377 -11.941 -0.345 1.00 0.00 N ATOM 1234 CA LEU D 82 -0.267 -11.444 -1.150 1.00 0.00 C ATOM 1235 C LEU D 82 1.044 -11.325 -0.372 1.00 0.00 C ATOM 1236 O LEU D 82 2.111 -11.556 -0.937 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.646 -10.111 -1.759 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.597 -10.206 -2.953 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.924 -10.909 -4.120 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.898 -10.911 -2.610 1.00 0.00 C ATOM 0 H LEU D 82 -2.238 -11.405 -0.456 1.00 0.00 H new ATOM 0 HA LEU D 82 -0.084 -12.179 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -1.110 -9.493 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.263 -9.599 -2.075 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.843 -9.182 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.617 -10.966 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.037 -10.350 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.634 -11.916 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.535 -10.950 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.684 -11.925 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.410 -10.365 -1.818 1.00 0.00 H new ATOM 1252 N ASN D 83 0.937 -11.032 0.930 1.00 0.00 N ATOM 1253 CA ASN D 83 2.096 -10.947 1.835 1.00 0.00 C ATOM 1254 C ASN D 83 3.245 -10.180 1.175 1.00 0.00 C ATOM 1255 O ASN D 83 4.195 -10.777 0.662 1.00 0.00 O ATOM 1256 CB ASN D 83 2.552 -12.355 2.241 1.00 0.00 C ATOM 1257 CG ASN D 83 3.589 -12.366 3.356 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.064 -13.429 3.756 1.00 0.00 O ATOM 1259 ND2 ASN D 83 3.923 -11.199 3.891 1.00 0.00 N ATOM 0 H ASN D 83 0.045 -10.847 1.389 1.00 0.00 H new ATOM 0 HA ASN D 83 1.797 -10.403 2.731 1.00 0.00 H new ATOM 0 HB2 ASN D 83 1.683 -12.931 2.560 1.00 0.00 H new ATOM 0 HB3 ASN D 83 2.966 -12.859 1.368 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.593 -11.163 4.659 1.00 0.00 H new ATOM 0 HD22 ASN D 83 3.510 -10.337 3.534 1.00 0.00 H new ATOM 1266 N ILE D 84 3.078 -8.868 1.072 1.00 0.00 N ATOM 1267 CA ILE D 84 4.019 -8.031 0.337 1.00 0.00 C ATOM 1268 C ILE D 84 5.341 -7.865 1.086 1.00 0.00 C ATOM 1269 O ILE D 84 5.456 -7.052 1.999 1.00 0.00 O ATOM 1270 CB ILE D 84 3.408 -6.646 0.049 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.076 -6.791 -0.694 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.370 -5.799 -0.767 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.204 -7.490 -2.031 1.00 0.00 C ATOM 0 H ILE D 84 2.298 -8.359 1.489 1.00 0.00 H new ATOM 0 HA ILE D 84 4.226 -8.537 -0.606 1.00 0.00 H new ATOM 0 HB ILE D 84 3.225 -6.149 1.002 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.378 -7.347 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.646 -5.802 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.922 -4.824 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.299 -5.667 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.580 -6.297 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.223 -7.558 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE D 84 2.877 -6.923 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.604 -8.493 -1.881 1.00 0.00 H new ATOM 1285 N LYS D 85 6.341 -8.635 0.693 1.00 0.00 N ATOM 1286 CA LYS D 85 7.646 -8.564 1.335 1.00 0.00 C ATOM 1287 C LYS D 85 8.629 -7.792 0.465 1.00 0.00 C ATOM 1288 O LYS D 85 8.392 -7.605 -0.731 1.00 0.00 O ATOM 1289 CB LYS D 85 8.185 -9.974 1.590 1.00 0.00 C ATOM 1290 CG LYS D 85 7.239 -10.855 2.392 1.00 0.00 C ATOM 1291 CD LYS D 85 7.770 -12.276 2.525 1.00 0.00 C ATOM 1292 CE LYS D 85 9.148 -12.309 3.169 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.648 -13.697 3.350 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.277 -9.315 -0.065 1.00 0.00 H new ATOM 0 HA LYS D 85 7.532 -8.044 2.286 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.390 -10.454 0.633 1.00 0.00 H new ATOM 0 HB3 LYS D 85 9.135 -9.900 2.119 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.095 -10.426 3.384 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.262 -10.875 1.908 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.076 -12.868 3.122 1.00 0.00 H new ATOM 0 HD3 LYS D 85 7.819 -12.739 1.539 1.00 0.00 H new ATOM 0 HE2 LYS D 85 9.850 -11.749 2.551 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.107 -11.810 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 10.589 -13.672 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 8.993 -14.225 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 9.712 -14.166 2.424 1.00 0.00 H new ATOM 1307 N GLY D 86 9.751 -7.396 1.070 1.00 0.00 N ATOM 1308 CA GLY D 86 10.817 -6.700 0.361 1.00 0.00 C ATOM 1309 C GLY D 86 11.333 -7.463 -0.834 1.00 0.00 C ATOM 1310 O GLY D 86 10.899 -8.582 -1.117 1.00 0.00 O ATOM 0 H GLY D 86 9.942 -7.550 2.060 1.00 0.00 H new ATOM 0 HA2 GLY D 86 10.451 -5.727 0.032 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.642 -6.515 1.049 1.00 0.00 H new ATOM 1314 N PRO D 87 12.288 -6.884 -1.551 1.00 0.00 N ATOM 1315 CA PRO D 87 12.836 -5.564 -1.249 1.00 0.00 C ATOM 1316 C PRO D 87 12.163 -4.415 -2.010 1.00 0.00 C ATOM 1317 O PRO D 87 11.261 -4.656 -2.798 1.00 0.00 O ATOM 1318 CB PRO D 87 14.269 -5.769 -1.681 1.00 0.00 C ATOM 1319 CG PRO D 87 14.182 -6.636 -2.895 1.00 0.00 C ATOM 1320 CD PRO D 87 12.921 -7.462 -2.742 1.00 0.00 C ATOM 0 HA PRO D 87 12.695 -5.260 -0.212 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.754 -4.819 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.855 -6.246 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO D 87 14.143 -6.032 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO D 87 15.059 -7.278 -2.977 1.00 0.00 H new ATOM 0 HD2 PRO D 87 12.278 -7.383 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO D 87 13.146 -8.520 -2.606 1.00 0.00 H new ATOM 1328 N TYR D 88 12.651 -3.183 -1.759 1.00 0.00 N ATOM 1329 CA TYR D 88 12.170 -1.929 -2.399 1.00 0.00 C ATOM 1330 C TYR D 88 10.714 -2.009 -2.828 1.00 0.00 C ATOM 1331 O TYR D 88 10.406 -2.458 -3.930 1.00 0.00 O ATOM 1332 CB TYR D 88 13.019 -1.573 -3.630 1.00 0.00 C ATOM 1333 CG TYR D 88 14.482 -1.306 -3.338 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.118 -0.193 -3.863 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.222 -2.171 -2.556 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.456 0.048 -3.609 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.555 -1.942 -2.295 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.170 -0.832 -2.824 1.00 0.00 C ATOM 1339 OH TYR D 88 18.499 -0.603 -2.566 1.00 0.00 O ATOM 0 H TYR D 88 13.406 -3.023 -1.093 1.00 0.00 H new ATOM 0 HA TYR D 88 12.266 -1.155 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.950 -2.389 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.591 -0.691 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.561 0.497 -4.480 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.745 -3.046 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.939 0.921 -4.023 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.114 -2.630 -1.678 1.00 0.00 H new ATOM 0 HH TYR D 88 18.842 0.070 -3.190 1.00 0.00 H new ATOM 1349 N ILE D 89 9.821 -1.593 -1.954 1.00 0.00 N ATOM 1350 CA ILE D 89 8.402 -1.669 -2.241 1.00 0.00 C ATOM 1351 C ILE D 89 7.790 -0.299 -2.445 1.00 0.00 C ATOM 1352 O ILE D 89 7.765 0.537 -1.540 1.00 0.00 O ATOM 1353 CB ILE D 89 7.673 -2.431 -1.128 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.254 -3.845 -1.030 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.191 -2.513 -1.427 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.614 -4.677 0.049 1.00 0.00 C ATOM 0 H ILE D 89 10.051 -1.200 -1.041 1.00 0.00 H new ATOM 0 HA ILE D 89 8.284 -2.215 -3.177 1.00 0.00 H new ATOM 0 HB ILE D 89 7.809 -1.903 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.131 -4.348 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.325 -3.778 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.688 -3.057 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE D 89 5.778 -1.507 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.039 -3.034 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.071 -5.666 0.065 1.00 0.00 H new ATOM 0 HD12 ILE D 89 7.760 -4.194 1.015 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.547 -4.774 -0.151 1.00 0.00 H new ATOM 1368 N GLU D 90 7.260 -0.108 -3.637 1.00 0.00 N ATOM 1369 CA GLU D 90 6.592 1.134 -3.991 1.00 0.00 C ATOM 1370 C GLU D 90 5.085 0.926 -4.046 1.00 0.00 C ATOM 1371 O GLU D 90 4.528 0.583 -5.083 1.00 0.00 O ATOM 1372 CB GLU D 90 7.101 1.661 -5.338 1.00 0.00 C ATOM 1373 CG GLU D 90 6.469 2.983 -5.747 1.00 0.00 C ATOM 1374 CD GLU D 90 6.770 4.095 -4.772 1.00 0.00 C ATOM 1375 OE1 GLU D 90 7.953 4.455 -4.635 1.00 0.00 O ATOM 1376 OE2 GLU D 90 5.829 4.596 -4.130 1.00 0.00 O1- ATOM 0 H GLU D 90 7.278 -0.802 -4.384 1.00 0.00 H new ATOM 0 HA GLU D 90 6.819 1.874 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.183 1.785 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.902 0.917 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU D 90 6.831 3.264 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU D 90 5.389 2.856 -5.826 1.00 0.00 H new ATOM 1383 N ILE D 91 4.428 1.152 -2.930 1.00 0.00 N ATOM 1384 CA ILE D 91 2.987 1.015 -2.854 1.00 0.00 C ATOM 1385 C ILE D 91 2.381 2.412 -3.038 1.00 0.00 C ATOM 1386 O ILE D 91 2.514 3.259 -2.158 1.00 0.00 O ATOM 1387 CB ILE D 91 2.581 0.423 -1.478 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.587 -0.624 -1.030 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.219 -0.248 -1.532 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.259 -1.228 0.319 1.00 0.00 C ATOM 0 H ILE D 91 4.871 1.434 -2.056 1.00 0.00 H new ATOM 0 HA ILE D 91 2.622 0.339 -3.627 1.00 0.00 H new ATOM 0 HB ILE D 91 2.551 1.258 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.631 -1.418 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.578 -0.172 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE D 91 0.972 -0.649 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.465 0.482 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.242 -1.059 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.016 -1.968 0.580 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.243 -0.443 1.075 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.282 -1.709 0.274 1.00 0.00 H new ATOM 1402 N LYS D 92 1.725 2.661 -4.177 1.00 0.00 N ATOM 1403 CA LYS D 92 1.123 3.967 -4.445 1.00 0.00 C ATOM 1404 C LYS D 92 0.088 3.827 -5.552 1.00 0.00 C ATOM 1405 O LYS D 92 0.058 2.805 -6.246 1.00 0.00 O ATOM 1406 CB LYS D 92 2.188 5.013 -4.840 1.00 0.00 C ATOM 1407 CG LYS D 92 2.442 5.159 -6.343 1.00 0.00 C ATOM 1408 CD LYS D 92 2.985 3.905 -7.021 1.00 0.00 C ATOM 1409 CE LYS D 92 3.059 4.121 -8.531 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.076 3.265 -9.194 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.599 1.977 -4.923 1.00 0.00 H new ATOM 0 HA LYS D 92 0.642 4.318 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.884 5.982 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.128 4.751 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.509 5.444 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.147 5.976 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.975 3.669 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.343 3.053 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.082 3.919 -8.969 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.288 5.168 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.150 3.528 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.998 3.399 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.793 2.267 -9.118 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.708 4.866 -5.785 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.646 4.812 -6.888 1.00 0.00 C ATOM 1426 C GLN D 93 -0.954 5.136 -8.193 1.00 0.00 C ATOM 1427 O GLN D 93 0.203 5.550 -8.221 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.848 5.719 -6.700 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.491 7.177 -6.574 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.708 8.046 -6.336 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.642 8.057 -7.140 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.705 8.782 -5.233 1.00 0.00 N ATOM 0 H GLN D 93 -0.721 5.728 -5.241 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.023 3.790 -6.915 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.524 5.591 -7.545 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.391 5.408 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.787 7.307 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.985 7.505 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.910 8.742 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.498 9.389 -5.022 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.610 4.777 -9.260 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.019 4.832 -10.573 1.00 0.00 C ATOM 1443 C ILE D 94 -1.905 5.595 -11.551 1.00 0.00 C ATOM 1444 O ILE D 94 -2.961 6.103 -11.120 1.00 0.00 O ATOM 1445 CB ILE D 94 -0.798 3.404 -11.055 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.082 2.624 -10.833 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.361 2.750 -10.319 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.018 1.182 -11.238 1.00 0.00 C ATOM 1449 OXT ILE D 94 -1.535 5.694 -12.734 1.00 0.00 O ATOM 0 H ILE D 94 -2.572 4.437 -9.247 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.070 5.365 -10.521 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.542 3.411 -12.115 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.346 2.679 -9.777 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -2.885 3.108 -11.388 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.495 1.732 -10.684 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.272 3.322 -10.495 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.147 2.727 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.979 0.706 -11.043 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.788 1.113 -12.301 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.240 0.677 -10.665 1.00 0.00 H new TER 1461 ILE D 94