USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 658 hydrogens (19 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: P 4 M3L H2 : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: P 4 M3L H : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: A 893 HIS HD1 : A 893 HIS ND1 : A 941 ZNZN :(H bumps) USER MOD Set 1.1: A 892 TYR OH : rot 16:sc= 2.04 USER MOD Set 1.2: A 913 LYS NZ :NH3+ -164:sc= 2.25 (180deg=0.709) USER MOD Set 2.1: A 851 SER OG : rot 180:sc= 0.0399 USER MOD Set 2.2: A 852 HIS : no HD1:sc= -0.0023 X(o=0.038,f=0.22) USER MOD Single : A 853 MET CE :methyl 177:sc= 0 (180deg=-0.00718) USER MOD Single : A 855 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN :FLIP amide:sc= -0.823 F(o=-1.9!,f=-0.82) USER MOD Single : A 866 GLN :FLIP amide:sc=-0.00117 F(o=-1.4,f=-0.0012) USER MOD Single : A 874 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.2) USER MOD Single : A 875 LYS NZ :NH3+ 173:sc=-0.000659 (180deg=-0.0645) USER MOD Single : A 880 SER OG : rot 60:sc= 0.843 USER MOD Single : A 882 MET CE :methyl -140:sc= -0.72 (180deg=-1.51) USER MOD Single : A 900 MET CE :methyl 161:sc= -0.0805 (180deg=-0.53) USER MOD Single : A 907 MET CE :methyl -165:sc= 0 (180deg=-0.0176) USER MOD Single : A 908 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 916 ASN : amide:sc=-0.00957 X(o=-0.0096,f=0) USER MOD Single : A 917 LYS NZ :NH3+ 147:sc= 1.12 (180deg=0.543) USER MOD Single : A 919 LYS NZ :NH3+ -169:sc=-0.00968 (180deg=-0.133) USER MOD Single : A 920 LYS NZ :NH3+ 161:sc= 1.29 (180deg=1.11) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 LYS NZ :NH3+ -128:sc= 0.333 (180deg=-0.228) USER MOD Single : A 924 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 1 ALA N :NH3+ -147:sc= 2.53 (180deg=-0.055) USER MOD Single : P 3 THR OG1 : rot 180:sc= 0 USER MOD Single : P 5 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.6!) USER MOD Single : P 6 THR OG1 : rot -167:sc= -1.43! USER MOD Single : P 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.483 6.099 4.496 1.00 0.00 N ATOM 2 CA ALA P 1 12.747 5.692 3.311 1.00 0.00 C ATOM 3 C ALA P 1 11.528 4.957 3.749 1.00 0.00 C ATOM 4 O ALA P 1 11.573 3.763 4.002 1.00 0.00 O ATOM 5 CB ALA P 1 13.591 4.786 2.412 1.00 0.00 C ATOM 0 H1 ALA P 1 13.958 7.007 4.315 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.825 6.205 5.294 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.194 5.377 4.728 1.00 0.00 H new ATOM 0 HA ALA P 1 12.483 6.579 2.736 1.00 0.00 H new ATOM 0 HB1 ALA P 1 13.010 4.500 1.535 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.487 5.320 2.095 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.878 3.891 2.964 1.00 0.00 H new ATOM 13 N ARG P 2 10.458 5.678 3.904 1.00 0.00 N ATOM 14 CA ARG P 2 9.220 5.092 4.340 1.00 0.00 C ATOM 15 C ARG P 2 8.568 4.449 3.136 1.00 0.00 C ATOM 16 O ARG P 2 8.498 5.066 2.076 1.00 0.00 O ATOM 17 CB ARG P 2 8.312 6.180 4.880 1.00 0.00 C ATOM 18 CG ARG P 2 7.463 5.754 6.046 1.00 0.00 C ATOM 19 CD ARG P 2 6.591 6.895 6.527 1.00 0.00 C ATOM 20 NE ARG P 2 7.347 8.119 6.830 1.00 0.00 N ATOM 21 CZ ARG P 2 7.784 8.471 8.039 1.00 0.00 C ATOM 22 NH1 ARG P 2 7.766 7.594 9.044 1.00 0.00 N ATOM 23 NH2 ARG P 2 8.259 9.691 8.245 1.00 0.00 N ATOM 0 H ARG P 2 10.415 6.683 3.734 1.00 0.00 H new ATOM 0 HA ARG P 2 9.397 4.355 5.123 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.923 7.031 5.182 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.660 6.525 4.077 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.837 4.910 5.756 1.00 0.00 H new ATOM 0 HG3 ARG P 2 8.102 5.412 6.860 1.00 0.00 H new ATOM 0 HD2 ARG P 2 5.844 7.117 5.765 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.052 6.579 7.420 1.00 0.00 H new ATOM 0 HE ARG P 2 7.553 8.748 6.054 1.00 0.00 H new ATOM 0 HH11 ARG P 2 7.417 6.648 8.889 1.00 0.00 H new ATOM 0 HH12 ARG P 2 8.102 7.869 9.967 1.00 0.00 H new ATOM 0 HH21 ARG P 2 8.291 10.362 7.478 1.00 0.00 H new ATOM 0 HH22 ARG P 2 8.593 9.959 9.171 1.00 0.00 H new ATOM 37 N THR P 3 8.118 3.244 3.263 1.00 0.00 N ATOM 38 CA THR P 3 7.516 2.576 2.138 1.00 0.00 C ATOM 39 C THR P 3 6.107 2.095 2.448 1.00 0.00 C ATOM 40 O THR P 3 5.857 1.482 3.499 1.00 0.00 O ATOM 41 CB THR P 3 8.404 1.413 1.633 1.00 0.00 C ATOM 42 OG1 THR P 3 8.830 0.609 2.742 1.00 0.00 O ATOM 43 CG2 THR P 3 9.624 1.941 0.883 1.00 0.00 C ATOM 0 H THR P 3 8.151 2.699 4.124 1.00 0.00 H new ATOM 0 HA THR P 3 7.437 3.311 1.337 1.00 0.00 H new ATOM 0 HB THR P 3 7.814 0.807 0.946 1.00 0.00 H new ATOM 0 HG1 THR P 3 9.390 -0.126 2.417 1.00 0.00 H new ATOM 0 HG21 THR P 3 10.231 1.103 0.539 1.00 0.00 H new ATOM 0 HG22 THR P 3 9.297 2.529 0.025 1.00 0.00 H new ATOM 0 HG23 THR P 3 10.217 2.569 1.548 1.00 0.00 H new HETATM 51 N M3L P 4 5.180 2.414 1.566 1.00 0.00 N HETATM 52 CA M3L P 4 3.817 1.975 1.707 1.00 0.00 C HETATM 53 CB M3L P 4 2.985 2.942 2.573 1.00 0.00 C HETATM 54 CG M3L P 4 2.902 4.342 2.022 1.00 0.00 C HETATM 55 CD M3L P 4 1.484 4.795 1.787 1.00 0.00 C HETATM 56 CE M3L P 4 1.472 5.939 0.774 1.00 0.00 C HETATM 57 NZ M3L P 4 0.272 6.867 0.979 1.00 0.00 N HETATM 58 C M3L P 4 3.181 1.828 0.356 1.00 0.00 C HETATM 59 O M3L P 4 3.688 2.341 -0.648 1.00 0.00 O HETATM 60 CM1 M3L P 4 0.380 7.551 2.337 1.00 0.00 C HETATM 61 CM2 M3L P 4 0.277 7.930 -0.100 1.00 0.00 C HETATM 62 CM3 M3L P 4 -1.033 6.078 0.897 1.00 0.00 C HETATM 0 HM33 M3L P 4 -1.113 5.607 -0.083 1.00 0.00 H new HETATM 0 HM32 M3L P 4 -1.043 5.310 1.670 1.00 0.00 H new HETATM 0 HM31 M3L P 4 -1.876 6.753 1.045 1.00 0.00 H new HETATM 0 HM23 M3L P 4 1.200 8.506 -0.039 1.00 0.00 H new HETATM 0 HM22 M3L P 4 0.210 7.455 -1.079 1.00 0.00 H new HETATM 0 HM21 M3L P 4 -0.575 8.595 0.040 1.00 0.00 H new HETATM 0 HM13 M3L P 4 0.393 6.797 3.124 1.00 0.00 H new HETATM 0 HM12 M3L P 4 1.300 8.134 2.378 1.00 0.00 H new HETATM 0 HM11 M3L P 4 -0.475 8.211 2.481 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.388 5.029 2.715 1.00 0.00 H new HETATM 0 HG2 M3L P 4 3.454 4.391 1.084 1.00 0.00 H new HETATM 0 HE3 M3L P 4 2.395 6.513 0.863 1.00 0.00 H new HETATM 0 HE2 M3L P 4 1.447 5.530 -0.236 1.00 0.00 H new HETATM 0 HD3 M3L P 4 0.882 3.964 1.419 1.00 0.00 H new HETATM 0 HD2 M3L P 4 1.036 5.122 2.725 1.00 0.00 H new HETATM 0 HB3 M3L P 4 1.976 2.543 2.677 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.417 2.981 3.573 1.00 0.00 H new HETATM 0 HA M3L P 4 3.836 1.009 2.212 1.00 0.00 H new ATOM 82 N GLN P 5 2.079 1.168 0.347 1.00 0.00 N ATOM 83 CA GLN P 5 1.297 0.938 -0.809 1.00 0.00 C ATOM 84 C GLN P 5 -0.113 0.943 -0.311 1.00 0.00 C ATOM 85 O GLN P 5 -0.312 0.620 0.855 1.00 0.00 O ATOM 86 CB GLN P 5 1.642 -0.421 -1.391 1.00 0.00 C ATOM 87 CG GLN P 5 1.019 -0.645 -2.733 1.00 0.00 C ATOM 88 CD GLN P 5 1.351 -1.965 -3.323 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.413 -2.532 -3.081 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.463 -2.467 -4.097 1.00 0.00 N ATOM 0 H GLN P 5 1.680 0.754 1.190 1.00 0.00 H new ATOM 0 HA GLN P 5 1.463 1.680 -1.590 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.725 -0.511 -1.477 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.311 -1.201 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.064 -0.558 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.346 0.141 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.406 -1.962 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.625 -3.372 -4.539 1.00 0.00 H new ATOM 99 N THR P 6 -1.066 1.351 -1.122 1.00 0.00 N ATOM 100 CA THR P 6 -2.459 1.378 -0.701 1.00 0.00 C ATOM 101 C THR P 6 -2.914 0.002 -0.240 1.00 0.00 C ATOM 102 O THR P 6 -3.507 -0.143 0.829 1.00 0.00 O ATOM 103 CB THR P 6 -3.344 1.887 -1.837 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.813 3.143 -2.300 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.777 2.078 -1.355 1.00 0.00 C ATOM 0 H THR P 6 -0.906 1.669 -2.078 1.00 0.00 H new ATOM 0 HA THR P 6 -2.550 2.061 0.144 1.00 0.00 H new ATOM 0 HB THR P 6 -3.353 1.158 -2.647 1.00 0.00 H new ATOM 0 HG1 THR P 6 -3.471 3.583 -2.878 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.392 2.441 -2.178 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.171 1.126 -1.000 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.794 2.804 -0.542 1.00 0.00 H new ATOM 113 N ALA P 7 -2.588 -0.991 -1.007 1.00 0.00 N ATOM 114 CA ALA P 7 -2.932 -2.316 -0.666 1.00 0.00 C ATOM 115 C ALA P 7 -1.709 -3.182 -0.737 1.00 0.00 C ATOM 116 O ALA P 7 -1.275 -3.555 -1.815 1.00 0.00 O ATOM 117 CB ALA P 7 -4.017 -2.812 -1.576 1.00 0.00 C ATOM 0 H ALA P 7 -2.076 -0.895 -1.884 1.00 0.00 H new ATOM 0 HA ALA P 7 -3.315 -2.352 0.354 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -4.278 -3.836 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -4.896 -2.175 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -3.667 -2.786 -2.608 1.00 0.00 H new ATOM 123 N ARG P 8 -1.121 -3.458 0.404 1.00 0.00 N ATOM 124 CA ARG P 8 0.103 -4.261 0.424 1.00 0.00 C ATOM 125 C ARG P 8 -0.264 -5.709 0.216 1.00 0.00 C ATOM 126 O ARG P 8 0.419 -6.445 -0.504 1.00 0.00 O ATOM 127 CB ARG P 8 0.894 -4.163 1.756 1.00 0.00 C ATOM 128 CG ARG P 8 1.270 -2.769 2.259 1.00 0.00 C ATOM 129 CD ARG P 8 0.084 -2.077 2.900 1.00 0.00 C ATOM 130 NE ARG P 8 0.447 -0.849 3.585 1.00 0.00 N ATOM 131 CZ ARG P 8 -0.426 0.091 3.964 1.00 0.00 C ATOM 132 NH1 ARG P 8 -1.724 -0.029 3.658 1.00 0.00 N ATOM 133 NH2 ARG P 8 -0.005 1.142 4.639 1.00 0.00 N ATOM 0 H ARG P 8 -1.453 -3.151 1.318 1.00 0.00 H new ATOM 0 HA ARG P 8 0.742 -3.870 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG P 8 0.305 -4.652 2.532 1.00 0.00 H new ATOM 0 HB3 ARG P 8 1.813 -4.738 1.643 1.00 0.00 H new ATOM 0 HG2 ARG P 8 2.082 -2.848 2.982 1.00 0.00 H new ATOM 0 HG3 ARG P 8 1.639 -2.168 1.428 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -0.658 -1.853 2.133 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -0.387 -2.757 3.610 1.00 0.00 H new ATOM 0 HE ARG P 8 1.434 -0.693 3.791 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -2.051 -0.840 3.133 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -2.385 0.691 3.950 1.00 0.00 H new ATOM 0 HH21 ARG P 8 0.984 1.237 4.871 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -0.668 1.861 4.930 1.00 0.00 H new ATOM 147 N LYS P 9 -1.369 -6.097 0.865 1.00 0.00 N ATOM 148 CA LYS P 9 -1.885 -7.466 0.877 1.00 0.00 C ATOM 149 C LYS P 9 -0.936 -8.373 1.658 1.00 0.00 C ATOM 150 O LYS P 9 -0.848 -9.579 1.434 1.00 0.00 O ATOM 151 CB LYS P 9 -2.184 -7.989 -0.541 1.00 0.00 C ATOM 152 CG LYS P 9 -3.248 -7.163 -1.269 1.00 0.00 C ATOM 153 CD LYS P 9 -3.630 -7.753 -2.621 1.00 0.00 C ATOM 154 CE LYS P 9 -2.446 -7.852 -3.557 1.00 0.00 C ATOM 155 NZ LYS P 9 -2.829 -8.392 -4.869 1.00 0.00 N ATOM 0 H LYS P 9 -1.941 -5.450 1.408 1.00 0.00 H new ATOM 0 HA LYS P 9 -2.846 -7.469 1.391 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -1.264 -7.984 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -2.516 -9.025 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -4.138 -7.093 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -2.878 -6.148 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS P 9 -4.059 -8.744 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS P 9 -4.403 -7.136 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -2.002 -6.865 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -1.683 -8.489 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -1.990 -8.444 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -3.230 -9.344 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 -3.539 -7.770 -5.307 1.00 0.00 H new ATOM 169 N SER P 10 -0.265 -7.769 2.618 1.00 0.00 N ATOM 170 CA SER P 10 0.666 -8.463 3.467 1.00 0.00 C ATOM 171 C SER P 10 -0.100 -9.093 4.637 1.00 0.00 C ATOM 172 O SER P 10 0.269 -10.154 5.151 1.00 0.00 O ATOM 173 CB SER P 10 1.735 -7.472 3.965 1.00 0.00 C ATOM 174 OG SER P 10 2.743 -8.101 4.737 1.00 0.00 O ATOM 0 H SER P 10 -0.355 -6.775 2.828 1.00 0.00 H new ATOM 0 HA SER P 10 1.169 -9.258 2.916 1.00 0.00 H new ATOM 0 HB2 SER P 10 2.194 -6.977 3.109 1.00 0.00 H new ATOM 0 HB3 SER P 10 1.256 -6.696 4.562 1.00 0.00 H new ATOM 0 HG SER P 10 3.397 -7.432 5.028 1.00 0.00 H new ATOM 180 N THR P 11 -1.186 -8.459 5.026 1.00 0.00 N ATOM 181 CA THR P 11 -2.002 -8.947 6.102 1.00 0.00 C ATOM 182 C THR P 11 -3.000 -9.976 5.548 1.00 0.00 C ATOM 183 O THR P 11 -4.176 -9.665 5.294 1.00 0.00 O ATOM 184 CB THR P 11 -2.765 -7.775 6.777 1.00 0.00 C ATOM 185 OG1 THR P 11 -1.842 -6.691 7.037 1.00 0.00 O ATOM 186 CG2 THR P 11 -3.402 -8.215 8.093 1.00 0.00 C ATOM 0 H THR P 11 -1.522 -7.594 4.603 1.00 0.00 H new ATOM 0 HA THR P 11 -1.367 -9.419 6.851 1.00 0.00 H new ATOM 0 HB THR P 11 -3.556 -7.448 6.102 1.00 0.00 H new ATOM 0 HG1 THR P 11 -2.321 -5.949 7.462 1.00 0.00 H new ATOM 0 HG21 THR P 11 -3.929 -7.373 8.542 1.00 0.00 H new ATOM 0 HG22 THR P 11 -4.107 -9.025 7.903 1.00 0.00 H new ATOM 0 HG23 THR P 11 -2.626 -8.562 8.775 1.00 0.00 H new ATOM 194 N GLY P 12 -2.512 -11.158 5.270 1.00 0.00 N ATOM 195 CA GLY P 12 -3.352 -12.185 4.751 1.00 0.00 C ATOM 196 C GLY P 12 -2.564 -13.247 4.058 1.00 0.00 C ATOM 197 O GLY P 12 -1.329 -13.275 4.147 1.00 0.00 O ATOM 0 H GLY P 12 -1.536 -11.425 5.397 1.00 0.00 H new ATOM 0 HA2 GLY P 12 -3.926 -12.630 5.563 1.00 0.00 H new ATOM 0 HA3 GLY P 12 -4.069 -11.751 4.054 1.00 0.00 H new ATOM 201 N GLY P 13 -3.258 -14.112 3.383 1.00 0.00 N ATOM 202 CA GLY P 13 -2.644 -15.188 2.684 1.00 0.00 C ATOM 203 C GLY P 13 -3.183 -16.492 3.175 1.00 0.00 C ATOM 204 O GLY P 13 -2.602 -17.085 4.108 1.00 0.00 O ATOM 205 OXT GLY P 13 -4.234 -16.925 2.676 1.00 0.00 O ATOM 0 H GLY P 13 -4.275 -14.087 3.304 1.00 0.00 H new ATOM 0 HA2 GLY P 13 -2.828 -15.089 1.614 1.00 0.00 H new ATOM 0 HA3 GLY P 13 -1.564 -15.155 2.826 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 -6.843 20.846 11.315 1.00 0.00 N ATOM 211 CA GLY A 850 -5.637 20.470 12.038 1.00 0.00 C ATOM 212 C GLY A 850 -4.644 21.599 12.057 1.00 0.00 C ATOM 213 O GLY A 850 -4.913 22.674 11.491 1.00 0.00 O ATOM 0 HA2 GLY A 850 -5.894 20.190 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 850 -5.187 19.594 11.571 1.00 0.00 H new ATOM 219 N SER A 851 -3.524 21.389 12.718 1.00 0.00 N ATOM 220 CA SER A 851 -2.480 22.376 12.797 1.00 0.00 C ATOM 221 C SER A 851 -1.722 22.467 11.473 1.00 0.00 C ATOM 222 O SER A 851 -1.469 23.555 10.955 1.00 0.00 O ATOM 223 CB SER A 851 -1.547 22.017 13.957 1.00 0.00 C ATOM 224 OG SER A 851 -1.170 20.634 13.892 1.00 0.00 O ATOM 0 H SER A 851 -3.317 20.523 13.216 1.00 0.00 H new ATOM 0 HA SER A 851 -2.913 23.359 12.984 1.00 0.00 H new ATOM 0 HB2 SER A 851 -0.656 22.644 13.922 1.00 0.00 H new ATOM 0 HB3 SER A 851 -2.043 22.220 14.906 1.00 0.00 H new ATOM 0 HG SER A 851 -0.573 20.422 14.639 1.00 0.00 H new ATOM 230 N HIS A 852 -1.405 21.323 10.914 1.00 0.00 N ATOM 231 CA HIS A 852 -0.676 21.262 9.676 1.00 0.00 C ATOM 232 C HIS A 852 -1.600 20.932 8.533 1.00 0.00 C ATOM 233 O HIS A 852 -1.856 19.760 8.232 1.00 0.00 O ATOM 234 CB HIS A 852 0.496 20.257 9.736 1.00 0.00 C ATOM 235 CG HIS A 852 1.601 20.636 10.687 1.00 0.00 C ATOM 236 ND1 HIS A 852 2.806 21.120 10.230 1.00 0.00 N ATOM 237 CD2 HIS A 852 1.642 20.558 12.038 1.00 0.00 C ATOM 238 CE1 HIS A 852 3.550 21.324 11.307 1.00 0.00 C ATOM 239 NE2 HIS A 852 2.886 20.995 12.421 1.00 0.00 N ATOM 0 H HIS A 852 -1.646 20.413 11.306 1.00 0.00 H new ATOM 0 HA HIS A 852 -0.244 22.249 9.508 1.00 0.00 H new ATOM 0 HB2 HIS A 852 0.106 19.281 10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 852 0.916 20.150 8.736 1.00 0.00 H new ATOM 0 HD2 HIS A 852 0.850 20.218 12.688 1.00 0.00 H new ATOM 0 HE1 HIS A 852 4.560 21.706 11.288 1.00 0.00 H new ATOM 0 HE2 HIS A 852 3.238 21.057 13.376 1.00 0.00 H new ATOM 247 N MET A 853 -2.168 21.958 7.969 1.00 0.00 N ATOM 248 CA MET A 853 -2.997 21.831 6.796 1.00 0.00 C ATOM 249 C MET A 853 -2.125 22.170 5.604 1.00 0.00 C ATOM 250 O MET A 853 -2.003 21.374 4.660 1.00 0.00 O ATOM 251 CB MET A 853 -4.188 22.796 6.881 1.00 0.00 C ATOM 252 CG MET A 853 -5.162 22.709 5.713 1.00 0.00 C ATOM 253 SD MET A 853 -6.031 21.128 5.617 1.00 0.00 S ATOM 254 CE MET A 853 -7.050 21.434 4.172 1.00 0.00 C ATOM 0 H MET A 853 -2.071 22.915 8.309 1.00 0.00 H new ATOM 0 HA MET A 853 -3.399 20.822 6.708 1.00 0.00 H new ATOM 0 HB2 MET A 853 -4.732 22.600 7.805 1.00 0.00 H new ATOM 0 HB3 MET A 853 -3.808 23.816 6.945 1.00 0.00 H new ATOM 0 HG2 MET A 853 -5.894 23.512 5.800 1.00 0.00 H new ATOM 0 HG3 MET A 853 -4.618 22.873 4.783 1.00 0.00 H new ATOM 0 HE1 MET A 853 -7.620 20.536 3.932 1.00 0.00 H new ATOM 0 HE2 MET A 853 -7.737 22.255 4.378 1.00 0.00 H new ATOM 0 HE3 MET A 853 -6.414 21.697 3.327 1.00 0.00 H new ATOM 264 N ALA A 854 -1.494 23.364 5.694 1.00 0.00 N ATOM 265 CA ALA A 854 -0.524 23.869 4.716 1.00 0.00 C ATOM 266 C ALA A 854 -1.068 23.824 3.280 1.00 0.00 C ATOM 267 O ALA A 854 -2.291 23.851 3.056 1.00 0.00 O ATOM 268 CB ALA A 854 0.782 23.074 4.841 1.00 0.00 C ATOM 0 H ALA A 854 -1.654 24.010 6.467 1.00 0.00 H new ATOM 0 HA ALA A 854 -0.331 24.919 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 854 1.505 23.446 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 854 1.184 23.191 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 854 0.586 22.019 4.649 1.00 0.00 H new ATOM 274 N MET A 855 -0.168 23.843 2.321 1.00 0.00 N ATOM 275 CA MET A 855 -0.512 23.674 0.939 1.00 0.00 C ATOM 276 C MET A 855 0.580 22.871 0.274 1.00 0.00 C ATOM 277 O MET A 855 1.576 23.415 -0.227 1.00 0.00 O ATOM 278 CB MET A 855 -0.751 25.010 0.217 1.00 0.00 C ATOM 279 CG MET A 855 -1.141 24.837 -1.245 1.00 0.00 C ATOM 280 SD MET A 855 -1.514 26.394 -2.064 1.00 0.00 S ATOM 281 CE MET A 855 -1.859 25.802 -3.716 1.00 0.00 C ATOM 0 H MET A 855 0.829 23.978 2.487 1.00 0.00 H new ATOM 0 HA MET A 855 -1.460 23.140 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 855 -1.537 25.560 0.734 1.00 0.00 H new ATOM 0 HB3 MET A 855 0.154 25.615 0.276 1.00 0.00 H new ATOM 0 HG2 MET A 855 -0.329 24.340 -1.775 1.00 0.00 H new ATOM 0 HG3 MET A 855 -2.010 24.183 -1.308 1.00 0.00 H new ATOM 0 HE1 MET A 855 -2.111 26.645 -4.359 1.00 0.00 H new ATOM 0 HE2 MET A 855 -0.980 25.293 -4.111 1.00 0.00 H new ATOM 0 HE3 MET A 855 -2.697 25.106 -3.685 1.00 0.00 H new ATOM 291 N ALA A 856 0.437 21.591 0.364 1.00 0.00 N ATOM 292 CA ALA A 856 1.384 20.666 -0.162 1.00 0.00 C ATOM 293 C ALA A 856 0.674 19.734 -1.133 1.00 0.00 C ATOM 294 O ALA A 856 -0.410 20.058 -1.628 1.00 0.00 O ATOM 295 CB ALA A 856 2.027 19.896 0.986 1.00 0.00 C ATOM 0 H ALA A 856 -0.362 21.148 0.817 1.00 0.00 H new ATOM 0 HA ALA A 856 2.175 21.188 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 856 2.752 19.187 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 856 2.531 20.594 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 856 1.258 19.356 1.538 1.00 0.00 H new ATOM 301 N TYR A 857 1.258 18.591 -1.392 1.00 0.00 N ATOM 302 CA TYR A 857 0.706 17.651 -2.337 1.00 0.00 C ATOM 303 C TYR A 857 -0.328 16.732 -1.714 1.00 0.00 C ATOM 304 O TYR A 857 -0.980 15.961 -2.406 1.00 0.00 O ATOM 305 CB TYR A 857 1.809 16.883 -3.046 1.00 0.00 C ATOM 306 CG TYR A 857 2.521 17.708 -4.101 1.00 0.00 C ATOM 307 CD1 TYR A 857 1.941 17.905 -5.348 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.749 18.303 -3.854 1.00 0.00 C ATOM 309 CE1 TYR A 857 2.557 18.656 -6.312 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.373 19.066 -4.823 1.00 0.00 C ATOM 311 CZ TYR A 857 3.768 19.233 -6.050 1.00 0.00 C ATOM 312 OH TYR A 857 4.372 19.990 -7.012 1.00 0.00 O ATOM 0 H TYR A 857 2.128 18.286 -0.955 1.00 0.00 H new ATOM 0 HA TYR A 857 0.169 18.229 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.536 16.539 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.383 15.995 -3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 857 0.983 17.455 -5.561 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.223 18.169 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 857 2.088 18.792 -7.275 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.328 19.528 -4.620 1.00 0.00 H new ATOM 0 HH TYR A 857 5.225 20.331 -6.672 1.00 0.00 H new ATOM 322 N VAL A 858 -0.464 16.796 -0.421 1.00 0.00 N ATOM 323 CA VAL A 858 -1.520 16.080 0.233 1.00 0.00 C ATOM 324 C VAL A 858 -2.794 16.922 0.203 1.00 0.00 C ATOM 325 O VAL A 858 -2.911 17.966 0.868 1.00 0.00 O ATOM 326 CB VAL A 858 -1.162 15.599 1.677 1.00 0.00 C ATOM 327 CG1 VAL A 858 -0.683 16.736 2.559 1.00 0.00 C ATOM 328 CG2 VAL A 858 -2.351 14.882 2.317 1.00 0.00 C ATOM 0 H VAL A 858 0.141 17.335 0.199 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.683 15.157 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 858 -0.335 14.895 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -0.447 16.352 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 858 0.209 17.185 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -1.466 17.490 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -2.081 14.555 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -3.200 15.564 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -2.621 14.015 1.714 1.00 0.00 H new ATOM 338 N ILE A 859 -3.711 16.497 -0.608 1.00 0.00 N ATOM 339 CA ILE A 859 -4.950 17.193 -0.792 1.00 0.00 C ATOM 340 C ILE A 859 -6.068 16.301 -0.318 1.00 0.00 C ATOM 341 O ILE A 859 -5.840 15.127 -0.034 1.00 0.00 O ATOM 342 CB ILE A 859 -5.179 17.569 -2.282 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.203 16.304 -3.167 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.105 18.552 -2.757 1.00 0.00 C ATOM 345 CD1 ILE A 859 -5.476 16.574 -4.630 1.00 0.00 C ATOM 0 H ILE A 859 -3.622 15.649 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 859 -4.923 18.120 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.149 18.058 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.244 15.793 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -5.964 15.623 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -4.280 18.805 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.148 19.458 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.121 18.094 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -5.476 15.633 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -6.448 17.056 -4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -4.701 17.228 -5.030 1.00 0.00 H new ATOM 357 N ARG A 860 -7.247 16.818 -0.209 1.00 0.00 N ATOM 358 CA ARG A 860 -8.336 15.996 0.195 1.00 0.00 C ATOM 359 C ARG A 860 -9.232 15.641 -0.966 1.00 0.00 C ATOM 360 O ARG A 860 -9.512 16.465 -1.855 1.00 0.00 O ATOM 361 CB ARG A 860 -9.132 16.583 1.349 1.00 0.00 C ATOM 362 CG ARG A 860 -9.811 17.894 1.069 1.00 0.00 C ATOM 363 CD ARG A 860 -10.591 18.325 2.273 1.00 0.00 C ATOM 364 NE ARG A 860 -9.721 18.565 3.433 1.00 0.00 N ATOM 365 CZ ARG A 860 -10.141 18.726 4.696 1.00 0.00 C ATOM 366 NH1 ARG A 860 -11.422 18.550 5.005 1.00 0.00 N ATOM 367 NH2 ARG A 860 -9.265 19.024 5.660 1.00 0.00 N ATOM 0 H ARG A 860 -7.479 17.794 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 860 -7.890 15.074 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.889 15.859 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.462 16.715 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -9.070 18.651 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -10.475 17.795 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.145 19.235 2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -11.326 17.560 2.523 1.00 0.00 H new ATOM 0 HE ARG A 860 -8.716 18.613 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.091 18.291 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -11.736 18.674 5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -8.276 19.129 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -9.586 19.146 6.621 1.00 0.00 H new ATOM 381 N ASP A 861 -9.624 14.407 -0.971 1.00 0.00 N ATOM 382 CA ASP A 861 -10.551 13.853 -1.933 1.00 0.00 C ATOM 383 C ASP A 861 -11.970 14.294 -1.554 1.00 0.00 C ATOM 384 O ASP A 861 -12.176 14.878 -0.488 1.00 0.00 O ATOM 385 CB ASP A 861 -10.422 12.318 -1.902 1.00 0.00 C ATOM 386 CG ASP A 861 -11.369 11.589 -2.809 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.088 11.453 -4.014 1.00 0.00 O ATOM 388 OD2 ASP A 861 -12.418 11.169 -2.325 1.00 0.00 O ATOM 0 H ASP A 861 -9.302 13.725 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.334 14.205 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -9.401 12.048 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -10.583 11.974 -0.880 1.00 0.00 H new ATOM 393 N GLU A 862 -12.922 13.987 -2.380 1.00 0.00 N ATOM 394 CA GLU A 862 -14.307 14.369 -2.171 1.00 0.00 C ATOM 395 C GLU A 862 -14.925 13.584 -1.011 1.00 0.00 C ATOM 396 O GLU A 862 -15.811 14.076 -0.323 1.00 0.00 O ATOM 397 CB GLU A 862 -15.095 14.168 -3.455 1.00 0.00 C ATOM 398 CG GLU A 862 -15.104 12.737 -3.957 1.00 0.00 C ATOM 399 CD GLU A 862 -15.696 12.631 -5.311 1.00 0.00 C ATOM 400 OE1 GLU A 862 -16.922 12.555 -5.432 1.00 0.00 O ATOM 401 OE2 GLU A 862 -14.938 12.653 -6.291 1.00 0.00 O ATOM 0 H GLU A 862 -12.768 13.455 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.344 15.425 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.123 14.491 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.677 14.811 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.084 12.352 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.668 12.113 -3.264 1.00 0.00 H new ATOM 408 N TRP A 863 -14.427 12.371 -0.773 1.00 0.00 N ATOM 409 CA TRP A 863 -14.921 11.573 0.340 1.00 0.00 C ATOM 410 C TRP A 863 -14.177 11.944 1.608 1.00 0.00 C ATOM 411 O TRP A 863 -14.413 11.378 2.667 1.00 0.00 O ATOM 412 CB TRP A 863 -14.760 10.079 0.090 1.00 0.00 C ATOM 413 CG TRP A 863 -15.370 9.580 -1.159 1.00 0.00 C ATOM 414 CD1 TRP A 863 -16.620 9.791 -1.591 1.00 0.00 C ATOM 415 CD2 TRP A 863 -14.747 8.737 -2.114 1.00 0.00 C ATOM 416 NE1 TRP A 863 -16.817 9.153 -2.793 1.00 0.00 N ATOM 417 CE2 TRP A 863 -15.675 8.495 -3.130 1.00 0.00 C ATOM 418 CE3 TRP A 863 -13.486 8.178 -2.204 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -15.380 7.707 -4.235 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -13.181 7.389 -3.295 1.00 0.00 C ATOM 421 CH2 TRP A 863 -14.128 7.160 -4.300 1.00 0.00 C ATOM 0 H TRP A 863 -13.694 11.928 -1.327 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.985 11.787 0.445 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.696 9.842 0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -15.196 9.538 0.930 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -17.364 10.376 -1.071 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -17.677 9.170 -3.341 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -12.751 8.356 -1.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -16.110 7.533 -5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -12.200 6.943 -3.374 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -13.865 6.539 -5.144 1.00 0.00 H new ATOM 432 N GLY A 864 -13.262 12.879 1.484 1.00 0.00 N ATOM 433 CA GLY A 864 -12.508 13.331 2.624 1.00 0.00 C ATOM 434 C GLY A 864 -11.349 12.420 2.938 1.00 0.00 C ATOM 435 O GLY A 864 -11.110 12.070 4.090 1.00 0.00 O ATOM 0 H GLY A 864 -13.025 13.339 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.136 14.338 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -13.165 13.392 3.491 1.00 0.00 H new ATOM 439 N ASN A 865 -10.652 12.011 1.918 1.00 0.00 N ATOM 440 CA ASN A 865 -9.469 11.183 2.088 1.00 0.00 C ATOM 441 C ASN A 865 -8.272 12.030 1.800 1.00 0.00 C ATOM 442 O ASN A 865 -8.352 12.923 0.955 1.00 0.00 O ATOM 443 CB ASN A 865 -9.458 9.976 1.119 1.00 0.00 C ATOM 444 CG ASN A 865 -10.546 8.952 1.372 1.00 0.00 C ATOM 445 OD1 ASN A 865 -11.653 9.075 0.682 1.00 0.00 O flip ATOM 446 ND2 ASN A 865 -10.363 8.015 2.152 1.00 0.00 N flip ATOM 0 H ASN A 865 -10.876 12.234 0.948 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.463 10.795 3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.556 10.346 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.489 9.481 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -9.489 7.949 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.085 7.306 2.275 1.00 0.00 H new ATOM 453 N GLN A 866 -7.189 11.797 2.491 1.00 0.00 N ATOM 454 CA GLN A 866 -5.968 12.502 2.199 1.00 0.00 C ATOM 455 C GLN A 866 -5.268 11.828 1.068 1.00 0.00 C ATOM 456 O GLN A 866 -4.887 10.663 1.169 1.00 0.00 O ATOM 457 CB GLN A 866 -5.051 12.626 3.410 1.00 0.00 C ATOM 458 CG GLN A 866 -5.483 13.695 4.390 1.00 0.00 C ATOM 459 CD GLN A 866 -4.546 13.861 5.576 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.282 13.565 5.387 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -4.971 14.261 6.673 1.00 0.00 N flip ATOM 0 H GLN A 866 -7.126 11.127 3.258 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.232 13.521 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -5.012 11.666 3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -4.039 12.845 3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.559 14.647 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.480 13.454 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -5.960 14.483 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -4.331 14.368 7.460 1.00 0.00 H new ATOM 470 N ILE A 867 -5.144 12.530 -0.002 1.00 0.00 N ATOM 471 CA ILE A 867 -4.547 12.009 -1.181 1.00 0.00 C ATOM 472 C ILE A 867 -3.222 12.681 -1.382 1.00 0.00 C ATOM 473 O ILE A 867 -3.135 13.906 -1.379 1.00 0.00 O ATOM 474 CB ILE A 867 -5.441 12.260 -2.425 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.855 11.698 -2.218 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.812 11.654 -3.666 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.900 10.212 -1.927 1.00 0.00 C ATOM 0 H ILE A 867 -5.459 13.497 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.423 10.932 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.522 13.338 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.328 12.232 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.447 11.899 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.454 11.841 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.835 12.106 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.695 10.579 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.935 9.898 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.459 9.665 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.338 10.002 -1.017 1.00 0.00 H new ATOM 489 N TRP A 868 -2.213 11.904 -1.531 1.00 0.00 N ATOM 490 CA TRP A 868 -0.909 12.409 -1.763 1.00 0.00 C ATOM 491 C TRP A 868 -0.623 12.402 -3.226 1.00 0.00 C ATOM 492 O TRP A 868 -0.623 11.351 -3.868 1.00 0.00 O ATOM 493 CB TRP A 868 0.147 11.607 -1.022 1.00 0.00 C ATOM 494 CG TRP A 868 0.288 11.969 0.418 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.189 12.842 0.933 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.483 11.486 1.528 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.054 12.919 2.294 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.030 12.102 2.686 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.548 10.596 1.657 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.485 11.852 3.954 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.060 10.350 2.916 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.529 10.975 4.048 1.00 0.00 C ATOM 0 H TRP A 868 -2.269 10.886 -1.495 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.871 13.430 -1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.098 10.548 -1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.108 11.748 -1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.911 13.398 0.352 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.625 13.493 2.915 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.965 10.108 0.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.076 12.332 4.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.885 9.662 3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.953 10.760 5.018 1.00 0.00 H new ATOM 513 N ILE A 869 -0.461 13.560 -3.759 1.00 0.00 N ATOM 514 CA ILE A 869 -0.088 13.708 -5.124 1.00 0.00 C ATOM 515 C ILE A 869 1.413 13.505 -5.210 1.00 0.00 C ATOM 516 O ILE A 869 2.154 14.113 -4.443 1.00 0.00 O ATOM 517 CB ILE A 869 -0.440 15.128 -5.643 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.940 15.438 -5.501 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.009 15.317 -7.078 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.850 14.519 -6.277 1.00 0.00 C ATOM 0 H ILE A 869 -0.584 14.440 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.625 12.982 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 869 0.104 15.836 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -2.209 15.388 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -2.118 16.463 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.252 16.321 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.089 15.183 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.486 14.583 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.887 14.813 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.614 14.585 -7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.707 13.493 -5.937 1.00 0.00 H new ATOM 532 N CYS A 870 1.846 12.619 -6.073 1.00 0.00 N ATOM 533 CA CYS A 870 3.244 12.422 -6.290 1.00 0.00 C ATOM 534 C CYS A 870 3.769 13.636 -7.029 1.00 0.00 C ATOM 535 O CYS A 870 3.284 13.956 -8.120 1.00 0.00 O ATOM 536 CB CYS A 870 3.471 11.154 -7.135 1.00 0.00 C ATOM 537 SG CYS A 870 5.204 10.753 -7.555 1.00 0.00 S ATOM 0 H CYS A 870 1.240 12.023 -6.636 1.00 0.00 H new ATOM 0 HA CYS A 870 3.765 12.297 -5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.045 10.306 -6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 870 2.910 11.258 -8.064 1.00 0.00 H new ATOM 542 N PRO A 871 4.745 14.350 -6.465 1.00 0.00 N ATOM 543 CA PRO A 871 5.337 15.512 -7.119 1.00 0.00 C ATOM 544 C PRO A 871 6.152 15.129 -8.364 1.00 0.00 C ATOM 545 O PRO A 871 6.726 15.997 -9.033 1.00 0.00 O ATOM 546 CB PRO A 871 6.256 16.110 -6.045 1.00 0.00 C ATOM 547 CG PRO A 871 5.805 15.490 -4.768 1.00 0.00 C ATOM 548 CD PRO A 871 5.319 14.127 -5.131 1.00 0.00 C ATOM 0 HA PRO A 871 4.574 16.204 -7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.302 15.881 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.168 17.196 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.622 15.436 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.012 16.078 -4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.129 13.398 -5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.576 13.758 -4.424 1.00 0.00 H new ATOM 556 N GLY A 872 6.222 13.841 -8.652 1.00 0.00 N ATOM 557 CA GLY A 872 6.917 13.385 -9.808 1.00 0.00 C ATOM 558 C GLY A 872 6.066 13.484 -11.059 1.00 0.00 C ATOM 559 O GLY A 872 6.469 14.110 -12.039 1.00 0.00 O ATOM 0 H GLY A 872 5.799 13.103 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 872 7.825 13.973 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.226 12.350 -9.661 1.00 0.00 H new ATOM 563 N CYS A 873 4.887 12.900 -11.022 1.00 0.00 N ATOM 564 CA CYS A 873 4.018 12.841 -12.177 1.00 0.00 C ATOM 565 C CYS A 873 2.784 13.732 -12.016 1.00 0.00 C ATOM 566 O CYS A 873 2.018 13.933 -12.980 1.00 0.00 O ATOM 567 CB CYS A 873 3.576 11.416 -12.255 1.00 0.00 C ATOM 568 SG CYS A 873 3.057 10.818 -10.634 1.00 0.00 S ATOM 0 H CYS A 873 4.504 12.452 -10.189 1.00 0.00 H new ATOM 0 HA CYS A 873 4.542 13.187 -13.068 1.00 0.00 H new ATOM 0 HB2 CYS A 873 2.752 11.324 -12.963 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.391 10.798 -12.632 1.00 0.00 H new ATOM 573 N ASN A 874 2.578 14.206 -10.790 1.00 0.00 N ATOM 574 CA ASN A 874 1.407 15.001 -10.376 1.00 0.00 C ATOM 575 C ASN A 874 0.179 14.069 -10.313 1.00 0.00 C ATOM 576 O ASN A 874 -0.969 14.506 -10.372 1.00 0.00 O ATOM 577 CB ASN A 874 1.142 16.221 -11.317 1.00 0.00 C ATOM 578 CG ASN A 874 0.170 17.244 -10.719 1.00 0.00 C ATOM 579 OD1 ASN A 874 0.142 17.463 -9.516 1.00 0.00 O ATOM 580 ND2 ASN A 874 -0.617 17.885 -11.545 1.00 0.00 N ATOM 0 H ASN A 874 3.237 14.047 -10.028 1.00 0.00 H new ATOM 0 HA ASN A 874 1.607 15.425 -9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.089 16.714 -11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 874 0.742 15.861 -12.265 1.00 0.00 H new ATOM 0 HD21 ASN A 874 -1.270 18.583 -11.189 1.00 0.00 H new ATOM 0 HD22 ASN A 874 -0.577 17.687 -12.545 1.00 0.00 H new ATOM 587 N LYS A 875 0.437 12.777 -10.169 1.00 0.00 N ATOM 588 CA LYS A 875 -0.581 11.788 -10.099 1.00 0.00 C ATOM 589 C LYS A 875 -0.788 11.392 -8.645 1.00 0.00 C ATOM 590 O LYS A 875 0.177 11.246 -7.893 1.00 0.00 O ATOM 591 CB LYS A 875 -0.162 10.607 -10.970 1.00 0.00 C ATOM 592 CG LYS A 875 -0.964 9.338 -10.849 1.00 0.00 C ATOM 593 CD LYS A 875 -0.333 8.244 -11.698 1.00 0.00 C ATOM 594 CE LYS A 875 -1.100 6.928 -11.621 1.00 0.00 C ATOM 595 NZ LYS A 875 -2.479 7.041 -12.153 1.00 0.00 N ATOM 0 H LYS A 875 1.382 12.400 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.533 12.165 -10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -0.194 10.928 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.877 10.372 -10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -1.007 9.022 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -1.990 9.514 -11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -0.288 8.574 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 875 0.694 8.082 -11.371 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.560 6.164 -12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -1.141 6.595 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.916 6.098 -12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -3.040 7.660 -11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -2.450 7.445 -13.111 1.00 0.00 H new ATOM 609 N PRO A 876 -2.039 11.230 -8.239 1.00 0.00 N ATOM 610 CA PRO A 876 -2.398 10.917 -6.853 1.00 0.00 C ATOM 611 C PRO A 876 -2.031 9.491 -6.470 1.00 0.00 C ATOM 612 O PRO A 876 -1.587 8.703 -7.328 1.00 0.00 O ATOM 613 CB PRO A 876 -3.922 11.091 -6.849 1.00 0.00 C ATOM 614 CG PRO A 876 -4.350 10.857 -8.248 1.00 0.00 C ATOM 615 CD PRO A 876 -3.219 11.317 -9.117 1.00 0.00 C ATOM 0 HA PRO A 876 -1.873 11.549 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.396 10.383 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.202 12.090 -6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.566 9.802 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.262 11.409 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -3.109 10.684 -9.998 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.378 12.335 -9.473 1.00 0.00 H new ATOM 623 N ASP A 877 -2.229 9.146 -5.198 1.00 0.00 N ATOM 624 CA ASP A 877 -1.981 7.800 -4.746 1.00 0.00 C ATOM 625 C ASP A 877 -3.053 6.888 -5.288 1.00 0.00 C ATOM 626 O ASP A 877 -4.197 6.845 -4.839 1.00 0.00 O ATOM 627 CB ASP A 877 -1.769 7.665 -3.202 1.00 0.00 C ATOM 628 CG ASP A 877 -2.896 8.152 -2.301 1.00 0.00 C ATOM 629 OD1 ASP A 877 -2.918 9.339 -1.960 1.00 0.00 O ATOM 630 OD2 ASP A 877 -3.718 7.325 -1.841 1.00 0.00 O ATOM 0 H ASP A 877 -2.559 9.785 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.018 7.487 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.586 6.614 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.864 8.211 -2.936 1.00 0.00 H new ATOM 635 N ASP A 878 -2.670 6.237 -6.342 1.00 0.00 N ATOM 636 CA ASP A 878 -3.511 5.399 -7.153 1.00 0.00 C ATOM 637 C ASP A 878 -3.478 3.976 -6.670 1.00 0.00 C ATOM 638 O ASP A 878 -4.276 3.150 -7.103 1.00 0.00 O ATOM 639 CB ASP A 878 -2.989 5.433 -8.586 1.00 0.00 C ATOM 640 CG ASP A 878 -1.615 4.784 -8.711 1.00 0.00 C ATOM 641 OD1 ASP A 878 -0.671 5.223 -8.019 1.00 0.00 O ATOM 642 OD2 ASP A 878 -1.474 3.808 -9.464 1.00 0.00 O ATOM 0 H ASP A 878 -1.709 6.275 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.535 5.768 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.693 4.919 -9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.934 6.467 -8.927 1.00 0.00 H new ATOM 647 N GLY A 879 -2.568 3.688 -5.799 1.00 0.00 N ATOM 648 CA GLY A 879 -2.435 2.351 -5.315 1.00 0.00 C ATOM 649 C GLY A 879 -1.045 1.834 -5.514 1.00 0.00 C ATOM 650 O GLY A 879 -0.663 0.818 -4.927 1.00 0.00 O ATOM 0 H GLY A 879 -1.906 4.358 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.688 2.319 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.143 1.703 -5.832 1.00 0.00 H new ATOM 654 N SER A 880 -0.282 2.517 -6.343 1.00 0.00 N ATOM 655 CA SER A 880 1.089 2.147 -6.574 1.00 0.00 C ATOM 656 C SER A 880 1.916 2.447 -5.312 1.00 0.00 C ATOM 657 O SER A 880 1.576 3.367 -4.554 1.00 0.00 O ATOM 658 CB SER A 880 1.649 2.901 -7.775 1.00 0.00 C ATOM 659 OG SER A 880 0.869 2.672 -8.945 1.00 0.00 O ATOM 0 H SER A 880 -0.595 3.334 -6.867 1.00 0.00 H new ATOM 0 HA SER A 880 1.143 1.080 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.674 3.969 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 880 2.678 2.588 -7.955 1.00 0.00 H new ATOM 0 HG SER A 880 -0.050 2.976 -8.790 1.00 0.00 H new ATOM 665 N PRO A 881 2.970 1.666 -5.044 1.00 0.00 N ATOM 666 CA PRO A 881 3.819 1.858 -3.874 1.00 0.00 C ATOM 667 C PRO A 881 4.544 3.190 -3.932 1.00 0.00 C ATOM 668 O PRO A 881 4.962 3.660 -5.015 1.00 0.00 O ATOM 669 CB PRO A 881 4.807 0.689 -3.936 1.00 0.00 C ATOM 670 CG PRO A 881 4.168 -0.286 -4.850 1.00 0.00 C ATOM 671 CD PRO A 881 3.433 0.539 -5.851 1.00 0.00 C ATOM 0 HA PRO A 881 3.249 1.876 -2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.778 1.009 -4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.975 0.258 -2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.912 -0.920 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.490 -0.946 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 881 4.080 0.861 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.604 -0.008 -6.299 1.00 0.00 H new ATOM 679 N MET A 882 4.668 3.815 -2.796 1.00 0.00 N ATOM 680 CA MET A 882 5.258 5.116 -2.721 1.00 0.00 C ATOM 681 C MET A 882 6.322 5.112 -1.663 1.00 0.00 C ATOM 682 O MET A 882 6.292 4.280 -0.733 1.00 0.00 O ATOM 683 CB MET A 882 4.201 6.183 -2.395 1.00 0.00 C ATOM 684 CG MET A 882 2.970 6.111 -3.273 1.00 0.00 C ATOM 685 SD MET A 882 1.802 7.446 -3.000 1.00 0.00 S ATOM 686 CE MET A 882 2.692 8.832 -3.701 1.00 0.00 C ATOM 0 H MET A 882 4.363 3.436 -1.899 1.00 0.00 H new ATOM 0 HA MET A 882 5.696 5.360 -3.689 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.900 6.076 -1.353 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.651 7.170 -2.497 1.00 0.00 H new ATOM 0 HG2 MET A 882 3.280 6.121 -4.318 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.467 5.160 -3.099 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.549 9.711 -3.073 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.754 8.593 -3.755 1.00 0.00 H new ATOM 0 HE3 MET A 882 2.315 9.037 -4.703 1.00 0.00 H new ATOM 696 N ILE A 883 7.245 6.007 -1.790 1.00 0.00 N ATOM 697 CA ILE A 883 8.318 6.126 -0.866 1.00 0.00 C ATOM 698 C ILE A 883 8.304 7.530 -0.264 1.00 0.00 C ATOM 699 O ILE A 883 7.984 8.519 -0.950 1.00 0.00 O ATOM 700 CB ILE A 883 9.682 5.776 -1.537 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.829 5.771 -0.520 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.985 6.734 -2.687 1.00 0.00 C ATOM 703 CD1 ILE A 883 12.111 5.190 -1.067 1.00 0.00 C ATOM 0 H ILE A 883 7.273 6.685 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 883 8.188 5.406 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 883 9.596 4.768 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 883 11.014 6.792 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.525 5.200 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.941 6.469 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.197 6.663 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 883 10.033 7.755 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.881 5.217 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.941 4.158 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.438 5.775 -1.927 1.00 0.00 H new ATOM 715 N GLY A 884 8.521 7.584 1.017 1.00 0.00 N ATOM 716 CA GLY A 884 8.537 8.816 1.734 1.00 0.00 C ATOM 717 C GLY A 884 9.937 9.359 1.807 1.00 0.00 C ATOM 718 O GLY A 884 10.853 8.647 2.256 1.00 0.00 O ATOM 0 H GLY A 884 8.693 6.762 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.885 9.538 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.146 8.664 2.740 1.00 0.00 H new ATOM 722 N CYS A 885 10.119 10.574 1.335 1.00 0.00 N ATOM 723 CA CYS A 885 11.398 11.251 1.408 1.00 0.00 C ATOM 724 C CYS A 885 11.681 11.538 2.870 1.00 0.00 C ATOM 725 O CYS A 885 10.770 11.903 3.617 1.00 0.00 O ATOM 726 CB CYS A 885 11.318 12.566 0.586 1.00 0.00 C ATOM 727 SG CYS A 885 12.819 13.649 0.541 1.00 0.00 S ATOM 0 H CYS A 885 9.383 11.122 0.889 1.00 0.00 H new ATOM 0 HA CYS A 885 12.201 10.640 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.063 12.304 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.491 13.157 0.979 1.00 0.00 H new ATOM 732 N ASP A 886 12.899 11.355 3.289 1.00 0.00 N ATOM 733 CA ASP A 886 13.264 11.617 4.660 1.00 0.00 C ATOM 734 C ASP A 886 13.467 13.091 4.913 1.00 0.00 C ATOM 735 O ASP A 886 13.657 13.509 6.051 1.00 0.00 O ATOM 736 CB ASP A 886 14.495 10.818 5.099 1.00 0.00 C ATOM 737 CG ASP A 886 14.200 9.368 5.392 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.624 9.070 6.470 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.559 8.492 4.584 1.00 0.00 O ATOM 0 H ASP A 886 13.664 11.024 2.701 1.00 0.00 H new ATOM 0 HA ASP A 886 12.424 11.282 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.253 10.875 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 886 14.920 11.281 5.990 1.00 0.00 H new ATOM 744 N ASP A 887 13.431 13.888 3.863 1.00 0.00 N ATOM 745 CA ASP A 887 13.558 15.328 4.037 1.00 0.00 C ATOM 746 C ASP A 887 12.214 15.986 3.831 1.00 0.00 C ATOM 747 O ASP A 887 11.748 16.742 4.685 1.00 0.00 O ATOM 748 CB ASP A 887 14.588 15.932 3.090 1.00 0.00 C ATOM 749 CG ASP A 887 14.883 17.385 3.406 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.754 17.650 4.265 1.00 0.00 O ATOM 751 OD2 ASP A 887 14.277 18.288 2.811 1.00 0.00 O ATOM 0 H ASP A 887 13.318 13.576 2.899 1.00 0.00 H new ATOM 0 HA ASP A 887 13.907 15.510 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.512 15.356 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.226 15.852 2.065 1.00 0.00 H new ATOM 756 N CYS A 888 11.584 15.693 2.695 1.00 0.00 N ATOM 757 CA CYS A 888 10.234 16.228 2.416 1.00 0.00 C ATOM 758 C CYS A 888 9.189 15.667 3.386 1.00 0.00 C ATOM 759 O CYS A 888 8.317 16.401 3.870 1.00 0.00 O ATOM 760 CB CYS A 888 9.773 15.891 0.987 1.00 0.00 C ATOM 761 SG CYS A 888 10.734 16.612 -0.353 1.00 0.00 S ATOM 0 H CYS A 888 11.969 15.101 1.960 1.00 0.00 H new ATOM 0 HA CYS A 888 10.312 17.308 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.784 14.807 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 888 8.737 16.213 0.877 1.00 0.00 H new ATOM 766 N ASP A 889 9.295 14.350 3.626 1.00 0.00 N ATOM 767 CA ASP A 889 8.337 13.532 4.414 1.00 0.00 C ATOM 768 C ASP A 889 7.052 13.352 3.598 1.00 0.00 C ATOM 769 O ASP A 889 6.017 12.884 4.083 1.00 0.00 O ATOM 770 CB ASP A 889 8.065 14.125 5.823 1.00 0.00 C ATOM 771 CG ASP A 889 7.433 13.125 6.783 1.00 0.00 C ATOM 772 OD1 ASP A 889 8.173 12.290 7.350 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.203 13.164 7.012 1.00 0.00 O ATOM 0 H ASP A 889 10.075 13.799 3.267 1.00 0.00 H new ATOM 0 HA ASP A 889 8.780 12.554 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.003 14.483 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.409 14.990 5.726 1.00 0.00 H new ATOM 778 N ASP A 890 7.163 13.687 2.318 1.00 0.00 N ATOM 779 CA ASP A 890 6.062 13.597 1.389 1.00 0.00 C ATOM 780 C ASP A 890 6.187 12.324 0.604 1.00 0.00 C ATOM 781 O ASP A 890 7.244 11.665 0.635 1.00 0.00 O ATOM 782 CB ASP A 890 5.997 14.806 0.429 1.00 0.00 C ATOM 783 CG ASP A 890 5.774 16.131 1.128 1.00 0.00 C ATOM 784 OD1 ASP A 890 4.756 16.279 1.850 1.00 0.00 O ATOM 785 OD2 ASP A 890 6.615 17.039 0.982 1.00 0.00 O ATOM 0 H ASP A 890 8.028 14.030 1.901 1.00 0.00 H new ATOM 0 HA ASP A 890 5.137 13.601 1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 890 6.926 14.857 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 890 5.193 14.645 -0.289 1.00 0.00 H new ATOM 790 N TRP A 891 5.159 11.999 -0.131 1.00 0.00 N ATOM 791 CA TRP A 891 5.092 10.740 -0.828 1.00 0.00 C ATOM 792 C TRP A 891 5.300 10.874 -2.305 1.00 0.00 C ATOM 793 O TRP A 891 4.634 11.654 -2.967 1.00 0.00 O ATOM 794 CB TRP A 891 3.785 10.026 -0.514 1.00 0.00 C ATOM 795 CG TRP A 891 3.740 9.590 0.893 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.166 10.224 1.941 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.348 8.431 1.413 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.389 9.513 3.080 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.110 8.412 2.785 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.067 7.410 0.843 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.572 7.406 3.601 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.536 6.409 1.636 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.289 6.404 3.016 1.00 0.00 C ATOM 0 H TRP A 891 4.344 12.597 -0.265 1.00 0.00 H new ATOM 0 HA TRP A 891 5.920 10.132 -0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 891 2.946 10.691 -0.718 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.673 9.162 -1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 891 2.616 11.151 1.883 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.062 9.772 4.011 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.258 7.401 -0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.375 7.409 4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 6.108 5.606 1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.671 5.597 3.623 1.00 0.00 H new ATOM 814 N TYR A 892 6.238 10.111 -2.798 1.00 0.00 N ATOM 815 CA TYR A 892 6.582 10.063 -4.193 1.00 0.00 C ATOM 816 C TYR A 892 6.411 8.625 -4.635 1.00 0.00 C ATOM 817 O TYR A 892 6.706 7.715 -3.854 1.00 0.00 O ATOM 818 CB TYR A 892 8.063 10.466 -4.358 1.00 0.00 C ATOM 819 CG TYR A 892 8.414 11.876 -3.893 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.446 12.210 -2.538 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.692 12.871 -4.809 1.00 0.00 C ATOM 822 CE1 TYR A 892 8.742 13.486 -2.122 1.00 0.00 C ATOM 823 CE2 TYR A 892 8.988 14.151 -4.399 1.00 0.00 C ATOM 824 CZ TYR A 892 9.012 14.454 -3.054 1.00 0.00 C ATOM 825 OH TYR A 892 9.273 15.739 -2.652 1.00 0.00 O ATOM 0 H TYR A 892 6.801 9.486 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 892 5.958 10.737 -4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.679 9.756 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.333 10.371 -5.410 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.234 11.450 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.677 12.641 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 892 8.762 13.724 -1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.201 14.917 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 892 9.478 15.747 -1.694 1.00 0.00 H new ATOM 835 N HIS A 893 5.912 8.388 -5.829 1.00 0.00 N ATOM 836 CA HIS A 893 5.781 7.003 -6.301 1.00 0.00 C ATOM 837 C HIS A 893 7.141 6.439 -6.639 1.00 0.00 C ATOM 838 O HIS A 893 8.082 7.180 -6.940 1.00 0.00 O ATOM 839 CB HIS A 893 4.889 6.835 -7.537 1.00 0.00 C ATOM 840 CG HIS A 893 3.427 7.091 -7.386 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.849 8.185 -7.965 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.470 6.322 -6.833 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.538 8.062 -7.759 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.264 6.938 -7.082 1.00 0.00 N ATOM 0 H HIS A 893 5.595 9.104 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 893 5.307 6.469 -5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.266 7.500 -8.314 1.00 0.00 H new ATOM 0 HB3 HIS A 893 5.013 5.816 -7.903 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.620 5.397 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.796 8.772 -8.093 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.341 6.604 -6.805 1.00 0.00 H new ATOM 852 N TRP A 894 7.226 5.138 -6.629 1.00 0.00 N ATOM 853 CA TRP A 894 8.453 4.435 -6.910 1.00 0.00 C ATOM 854 C TRP A 894 8.993 4.688 -8.327 1.00 0.00 C ATOM 855 O TRP A 894 10.105 5.212 -8.457 1.00 0.00 O ATOM 856 CB TRP A 894 8.322 2.939 -6.626 1.00 0.00 C ATOM 857 CG TRP A 894 8.308 2.568 -5.185 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.309 3.401 -4.107 1.00 0.00 C ATOM 859 CD2 TRP A 894 8.319 1.246 -4.672 1.00 0.00 C ATOM 860 NE1 TRP A 894 8.311 2.665 -2.949 1.00 0.00 N ATOM 861 CE2 TRP A 894 8.312 1.338 -3.272 1.00 0.00 C ATOM 862 CE3 TRP A 894 8.329 -0.013 -5.268 1.00 0.00 C ATOM 863 CZ2 TRP A 894 8.310 0.217 -2.460 1.00 0.00 C ATOM 864 CZ3 TRP A 894 8.330 -1.125 -4.466 1.00 0.00 C ATOM 865 CH2 TRP A 894 8.318 -1.008 -3.075 1.00 0.00 C ATOM 0 H TRP A 894 6.437 4.525 -6.423 1.00 0.00 H new ATOM 0 HA TRP A 894 9.194 4.848 -6.226 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.403 2.577 -7.087 1.00 0.00 H new ATOM 0 HB3 TRP A 894 9.148 2.419 -7.111 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.308 4.480 -4.157 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.312 3.046 -2.003 1.00 0.00 H new ATOM 0 HE3 TRP A 894 8.336 -0.111 -6.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 8.302 0.304 -1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 8.340 -2.106 -4.917 1.00 0.00 H new ATOM 0 HH2 TRP A 894 8.315 -1.903 -2.470 1.00 0.00 H new ATOM 876 N PRO A 895 8.227 4.375 -9.422 1.00 0.00 N ATOM 877 CA PRO A 895 8.734 4.534 -10.797 1.00 0.00 C ATOM 878 C PRO A 895 9.083 5.989 -11.137 1.00 0.00 C ATOM 879 O PRO A 895 9.952 6.266 -11.972 1.00 0.00 O ATOM 880 CB PRO A 895 7.571 4.035 -11.675 1.00 0.00 C ATOM 881 CG PRO A 895 6.367 4.157 -10.807 1.00 0.00 C ATOM 882 CD PRO A 895 6.842 3.836 -9.429 1.00 0.00 C ATOM 0 HA PRO A 895 9.663 3.984 -10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.471 4.636 -12.579 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.728 3.004 -11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.948 5.162 -10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.583 3.469 -11.123 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.221 4.308 -8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.825 2.764 -9.235 1.00 0.00 H new ATOM 890 N CYS A 896 8.449 6.892 -10.442 1.00 0.00 N ATOM 891 CA CYS A 896 8.596 8.297 -10.650 1.00 0.00 C ATOM 892 C CYS A 896 9.960 8.781 -10.167 1.00 0.00 C ATOM 893 O CYS A 896 10.620 9.597 -10.829 1.00 0.00 O ATOM 894 CB CYS A 896 7.480 8.959 -9.886 1.00 0.00 C ATOM 895 SG CYS A 896 5.887 8.189 -10.231 1.00 0.00 S ATOM 0 H CYS A 896 7.797 6.658 -9.693 1.00 0.00 H new ATOM 0 HA CYS A 896 8.541 8.545 -11.710 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.687 8.903 -8.817 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.437 10.016 -10.147 1.00 0.00 H new ATOM 900 N VAL A 897 10.388 8.274 -9.038 1.00 0.00 N ATOM 901 CA VAL A 897 11.666 8.663 -8.486 1.00 0.00 C ATOM 902 C VAL A 897 12.790 7.716 -8.910 1.00 0.00 C ATOM 903 O VAL A 897 13.955 8.098 -8.915 1.00 0.00 O ATOM 904 CB VAL A 897 11.615 8.806 -6.948 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.668 9.928 -6.563 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.180 7.508 -6.295 1.00 0.00 C ATOM 0 H VAL A 897 9.873 7.592 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 897 11.891 9.645 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 897 12.617 9.045 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.638 10.022 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.017 10.864 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.668 9.704 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.153 7.636 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.187 7.235 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.887 6.718 -6.549 1.00 0.00 H new ATOM 916 N GLY A 898 12.437 6.496 -9.278 1.00 0.00 N ATOM 917 CA GLY A 898 13.434 5.541 -9.725 1.00 0.00 C ATOM 918 C GLY A 898 13.593 4.366 -8.778 1.00 0.00 C ATOM 919 O GLY A 898 14.577 3.635 -8.836 1.00 0.00 O ATOM 0 H GLY A 898 11.479 6.147 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.158 5.171 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.393 6.048 -9.831 1.00 0.00 H new ATOM 923 N ILE A 899 12.627 4.169 -7.927 1.00 0.00 N ATOM 924 CA ILE A 899 12.654 3.067 -6.987 1.00 0.00 C ATOM 925 C ILE A 899 11.901 1.897 -7.614 1.00 0.00 C ATOM 926 O ILE A 899 10.812 2.081 -8.133 1.00 0.00 O ATOM 927 CB ILE A 899 11.973 3.468 -5.636 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.731 4.607 -4.930 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.838 2.271 -4.698 1.00 0.00 C ATOM 930 CD1 ILE A 899 14.066 4.220 -4.357 1.00 0.00 C ATOM 0 H ILE A 899 11.799 4.760 -7.859 1.00 0.00 H new ATOM 0 HA ILE A 899 13.687 2.794 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 899 10.974 3.826 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.879 5.420 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 899 12.106 4.996 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 899 11.361 2.588 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 899 11.230 1.502 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.826 1.868 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.523 5.088 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.930 3.430 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.715 3.861 -5.156 1.00 0.00 H new ATOM 942 N MET A 900 12.491 0.726 -7.633 1.00 0.00 N ATOM 943 CA MET A 900 11.772 -0.431 -8.165 1.00 0.00 C ATOM 944 C MET A 900 11.508 -1.439 -7.067 1.00 0.00 C ATOM 945 O MET A 900 10.545 -2.212 -7.133 1.00 0.00 O ATOM 946 CB MET A 900 12.495 -1.087 -9.355 1.00 0.00 C ATOM 947 CG MET A 900 13.833 -1.727 -9.020 1.00 0.00 C ATOM 948 SD MET A 900 14.601 -2.536 -10.434 1.00 0.00 S ATOM 949 CE MET A 900 14.876 -1.133 -11.517 1.00 0.00 C ATOM 0 H MET A 900 13.437 0.540 -7.300 1.00 0.00 H new ATOM 0 HA MET A 900 10.819 -0.066 -8.548 1.00 0.00 H new ATOM 0 HB2 MET A 900 11.842 -1.848 -9.783 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.653 -0.333 -10.126 1.00 0.00 H new ATOM 0 HG2 MET A 900 14.508 -0.963 -8.635 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.691 -2.458 -8.224 1.00 0.00 H new ATOM 0 HE1 MET A 900 15.627 -1.392 -12.264 1.00 0.00 H new ATOM 0 HE2 MET A 900 13.943 -0.870 -12.016 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.226 -0.283 -10.930 1.00 0.00 H new ATOM 959 N ALA A 901 12.351 -1.423 -6.062 1.00 0.00 N ATOM 960 CA ALA A 901 12.217 -2.286 -4.928 1.00 0.00 C ATOM 961 C ALA A 901 12.429 -1.462 -3.686 1.00 0.00 C ATOM 962 O ALA A 901 13.225 -0.505 -3.703 1.00 0.00 O ATOM 963 CB ALA A 901 13.216 -3.430 -4.995 1.00 0.00 C ATOM 0 H ALA A 901 13.157 -0.800 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 901 11.222 -2.730 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 901 13.094 -4.071 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 901 13.042 -4.012 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 901 14.229 -3.028 -5.011 1.00 0.00 H new ATOM 969 N ALA A 902 11.731 -1.804 -2.639 1.00 0.00 N ATOM 970 CA ALA A 902 11.780 -1.064 -1.407 1.00 0.00 C ATOM 971 C ALA A 902 13.113 -1.237 -0.709 1.00 0.00 C ATOM 972 O ALA A 902 13.583 -2.378 -0.523 1.00 0.00 O ATOM 973 CB ALA A 902 10.659 -1.503 -0.480 1.00 0.00 C ATOM 0 H ALA A 902 11.107 -2.610 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 902 11.656 -0.009 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.710 -0.933 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.698 -1.326 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.764 -2.565 -0.260 1.00 0.00 H new ATOM 979 N PRO A 903 13.760 -0.125 -0.341 1.00 0.00 N ATOM 980 CA PRO A 903 14.966 -0.161 0.463 1.00 0.00 C ATOM 981 C PRO A 903 14.554 -0.368 1.920 1.00 0.00 C ATOM 982 O PRO A 903 13.347 -0.377 2.219 1.00 0.00 O ATOM 983 CB PRO A 903 15.560 1.243 0.247 1.00 0.00 C ATOM 984 CG PRO A 903 14.385 2.121 0.025 1.00 0.00 C ATOM 985 CD PRO A 903 13.344 1.271 -0.650 1.00 0.00 C ATOM 0 HA PRO A 903 15.672 -0.951 0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 903 16.137 1.566 1.113 1.00 0.00 H new ATOM 0 HB3 PRO A 903 16.234 1.260 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.011 2.516 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.651 2.977 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.346 1.484 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 903 13.318 1.451 -1.725 1.00 0.00 H new ATOM 993 N PRO A 904 15.482 -0.605 2.841 1.00 0.00 N ATOM 994 CA PRO A 904 15.129 -0.736 4.239 1.00 0.00 C ATOM 995 C PRO A 904 14.558 0.565 4.738 1.00 0.00 C ATOM 996 O PRO A 904 15.022 1.637 4.353 1.00 0.00 O ATOM 997 CB PRO A 904 16.457 -1.016 4.943 1.00 0.00 C ATOM 998 CG PRO A 904 17.392 -1.424 3.871 1.00 0.00 C ATOM 999 CD PRO A 904 16.919 -0.768 2.613 1.00 0.00 C ATOM 0 HA PRO A 904 14.388 -1.516 4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 904 16.820 -0.130 5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 904 16.348 -1.803 5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 904 18.410 -1.116 4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.404 -2.508 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 904 17.412 0.190 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 904 17.120 -1.385 1.737 1.00 0.00 H new ATOM 1007 N GLU A 905 13.583 0.493 5.594 1.00 0.00 N ATOM 1008 CA GLU A 905 12.985 1.691 6.130 1.00 0.00 C ATOM 1009 C GLU A 905 13.850 2.272 7.229 1.00 0.00 C ATOM 1010 O GLU A 905 13.538 3.307 7.796 1.00 0.00 O ATOM 1011 CB GLU A 905 11.563 1.442 6.601 1.00 0.00 C ATOM 1012 CG GLU A 905 10.686 0.884 5.507 1.00 0.00 C ATOM 1013 CD GLU A 905 9.245 0.802 5.893 1.00 0.00 C ATOM 1014 OE1 GLU A 905 8.846 -0.147 6.608 1.00 0.00 O ATOM 1015 OE2 GLU A 905 8.461 1.690 5.485 1.00 0.00 O ATOM 0 H GLU A 905 13.181 -0.379 5.939 1.00 0.00 H new ATOM 0 HA GLU A 905 12.925 2.428 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.577 0.748 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 905 11.135 2.376 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 905 10.783 1.508 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 905 11.041 -0.111 5.238 1.00 0.00 H new ATOM 1022 N GLU A 906 14.945 1.584 7.531 1.00 0.00 N ATOM 1023 CA GLU A 906 15.930 2.105 8.454 1.00 0.00 C ATOM 1024 C GLU A 906 16.932 2.939 7.663 1.00 0.00 C ATOM 1025 O GLU A 906 17.656 3.770 8.212 1.00 0.00 O ATOM 1026 CB GLU A 906 16.635 0.981 9.225 1.00 0.00 C ATOM 1027 CG GLU A 906 17.378 -0.014 8.353 1.00 0.00 C ATOM 1028 CD GLU A 906 18.104 -1.052 9.161 1.00 0.00 C ATOM 1029 OE1 GLU A 906 17.494 -2.076 9.508 1.00 0.00 O ATOM 1030 OE2 GLU A 906 19.305 -0.859 9.463 1.00 0.00 O ATOM 0 H GLU A 906 15.167 0.665 7.147 1.00 0.00 H new ATOM 0 HA GLU A 906 15.434 2.727 9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 906 17.340 1.427 9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 906 15.894 0.443 9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 906 16.671 -0.506 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 906 18.092 0.519 7.725 1.00 0.00 H new ATOM 1037 N MET A 907 16.929 2.718 6.362 1.00 0.00 N ATOM 1038 CA MET A 907 17.770 3.426 5.434 1.00 0.00 C ATOM 1039 C MET A 907 17.093 4.719 5.109 1.00 0.00 C ATOM 1040 O MET A 907 15.855 4.772 5.001 1.00 0.00 O ATOM 1041 CB MET A 907 17.939 2.598 4.152 1.00 0.00 C ATOM 1042 CG MET A 907 18.643 3.299 2.991 1.00 0.00 C ATOM 1043 SD MET A 907 20.364 3.684 3.326 1.00 0.00 S ATOM 1044 CE MET A 907 20.820 4.472 1.779 1.00 0.00 C ATOM 0 H MET A 907 16.326 2.025 5.918 1.00 0.00 H new ATOM 0 HA MET A 907 18.755 3.603 5.866 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.497 1.695 4.397 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.952 2.281 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.586 2.665 2.106 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.111 4.221 2.757 1.00 0.00 H new ATOM 0 HE1 MET A 907 21.906 4.534 1.708 1.00 0.00 H new ATOM 0 HE2 MET A 907 20.435 3.886 0.945 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.397 5.476 1.743 1.00 0.00 H new ATOM 1054 N GLN A 908 17.852 5.741 4.976 1.00 0.00 N ATOM 1055 CA GLN A 908 17.297 7.003 4.651 1.00 0.00 C ATOM 1056 C GLN A 908 17.417 7.271 3.194 1.00 0.00 C ATOM 1057 O GLN A 908 18.376 6.846 2.538 1.00 0.00 O ATOM 1058 CB GLN A 908 17.863 8.125 5.485 1.00 0.00 C ATOM 1059 CG GLN A 908 17.521 7.971 6.952 1.00 0.00 C ATOM 1060 CD GLN A 908 17.905 9.166 7.756 1.00 0.00 C ATOM 1061 OE1 GLN A 908 19.007 9.243 8.296 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.019 10.118 7.820 1.00 0.00 N ATOM 0 H GLN A 908 18.866 5.730 5.088 1.00 0.00 H new ATOM 0 HA GLN A 908 16.236 6.961 4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.946 8.154 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.477 9.077 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.450 7.796 7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.028 7.092 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 908 16.118 10.008 7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 908 17.226 10.974 8.335 1.00 0.00 H new ATOM 1071 N TRP A 909 16.466 7.974 2.701 1.00 0.00 N ATOM 1072 CA TRP A 909 16.340 8.220 1.292 1.00 0.00 C ATOM 1073 C TRP A 909 15.769 9.583 1.098 1.00 0.00 C ATOM 1074 O TRP A 909 14.912 10.025 1.870 1.00 0.00 O ATOM 1075 CB TRP A 909 15.441 7.148 0.640 1.00 0.00 C ATOM 1076 CG TRP A 909 15.189 7.323 -0.838 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.900 6.781 -1.867 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.135 8.085 -1.437 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.352 7.165 -3.070 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.268 7.970 -2.828 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.093 8.857 -0.918 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.396 8.601 -3.706 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.232 9.480 -1.786 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.386 9.350 -3.166 1.00 0.00 C ATOM 0 H TRP A 909 15.735 8.407 3.265 1.00 0.00 H new ATOM 0 HA TRP A 909 17.318 8.166 0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.896 6.171 0.800 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.481 7.141 1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.765 6.144 -1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.696 6.895 -3.991 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.967 8.962 0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.511 8.504 -4.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.423 10.080 -1.395 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.692 9.852 -3.824 1.00 0.00 H new ATOM 1095 N PHE A 910 16.229 10.246 0.100 1.00 0.00 N ATOM 1096 CA PHE A 910 15.809 11.572 -0.188 1.00 0.00 C ATOM 1097 C PHE A 910 15.476 11.630 -1.660 1.00 0.00 C ATOM 1098 O PHE A 910 16.150 10.972 -2.469 1.00 0.00 O ATOM 1099 CB PHE A 910 16.931 12.561 0.182 1.00 0.00 C ATOM 1100 CG PHE A 910 17.388 12.437 1.615 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.696 13.059 2.626 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.496 11.666 1.946 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.087 12.922 3.942 1.00 0.00 C ATOM 1104 CE2 PHE A 910 18.894 11.529 3.257 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.188 12.154 4.256 1.00 0.00 C ATOM 0 H PHE A 910 16.921 9.877 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 910 14.930 11.849 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.782 12.398 -0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.582 13.578 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.834 13.664 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.052 11.168 1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.531 13.416 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.760 10.931 3.500 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.495 12.044 5.286 1.00 0.00 H new ATOM 1115 N CYS A 911 14.423 12.355 -2.006 1.00 0.00 N ATOM 1116 CA CYS A 911 13.978 12.463 -3.390 1.00 0.00 C ATOM 1117 C CYS A 911 15.094 13.057 -4.282 1.00 0.00 C ATOM 1118 O CYS A 911 16.065 13.625 -3.757 1.00 0.00 O ATOM 1119 CB CYS A 911 12.699 13.336 -3.457 1.00 0.00 C ATOM 1120 SG CYS A 911 12.924 15.088 -3.020 1.00 0.00 S ATOM 0 H CYS A 911 13.856 12.882 -1.342 1.00 0.00 H new ATOM 0 HA CYS A 911 13.748 11.466 -3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.295 13.281 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.951 12.906 -2.790 1.00 0.00 H new ATOM 1125 N PRO A 912 14.979 12.950 -5.637 1.00 0.00 N ATOM 1126 CA PRO A 912 15.956 13.529 -6.585 1.00 0.00 C ATOM 1127 C PRO A 912 16.212 15.042 -6.385 1.00 0.00 C ATOM 1128 O PRO A 912 17.083 15.606 -7.015 1.00 0.00 O ATOM 1129 CB PRO A 912 15.332 13.272 -7.969 1.00 0.00 C ATOM 1130 CG PRO A 912 13.923 12.864 -7.694 1.00 0.00 C ATOM 1131 CD PRO A 912 13.953 12.183 -6.363 1.00 0.00 C ATOM 0 HA PRO A 912 16.936 13.073 -6.445 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.369 14.167 -8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.871 12.490 -8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.261 13.730 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.551 12.194 -8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.985 12.225 -5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.220 11.130 -6.452 1.00 0.00 H new ATOM 1139 N LYS A 913 15.430 15.688 -5.538 1.00 0.00 N ATOM 1140 CA LYS A 913 15.673 17.074 -5.195 1.00 0.00 C ATOM 1141 C LYS A 913 16.508 17.122 -3.928 1.00 0.00 C ATOM 1142 O LYS A 913 17.578 17.729 -3.884 1.00 0.00 O ATOM 1143 CB LYS A 913 14.374 17.832 -4.937 1.00 0.00 C ATOM 1144 CG LYS A 913 13.378 17.827 -6.077 1.00 0.00 C ATOM 1145 CD LYS A 913 12.198 18.755 -5.782 1.00 0.00 C ATOM 1146 CE LYS A 913 11.504 18.434 -4.450 1.00 0.00 C ATOM 1147 NZ LYS A 913 11.028 17.034 -4.377 1.00 0.00 N ATOM 0 H LYS A 913 14.621 15.273 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 913 16.186 17.543 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.894 17.405 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 913 14.619 18.866 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 913 13.871 18.142 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 913 13.015 16.813 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 913 12.549 19.787 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.472 18.680 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 913 12.197 18.621 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.659 19.109 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 10.344 16.940 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 10.569 16.776 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 11.836 16.401 -4.207 1.00 0.00 H new ATOM 1161 N CYS A 914 16.039 16.412 -2.918 1.00 0.00 N ATOM 1162 CA CYS A 914 16.651 16.423 -1.621 1.00 0.00 C ATOM 1163 C CYS A 914 18.004 15.745 -1.583 1.00 0.00 C ATOM 1164 O CYS A 914 18.906 16.237 -0.954 1.00 0.00 O ATOM 1165 CB CYS A 914 15.673 15.901 -0.568 1.00 0.00 C ATOM 1166 SG CYS A 914 14.337 17.054 -0.270 1.00 0.00 S ATOM 0 H CYS A 914 15.218 15.811 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 914 16.876 17.460 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.262 14.946 -0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.207 15.715 0.364 1.00 0.00 H new ATOM 1171 N ALA A 915 18.159 14.678 -2.305 1.00 0.00 N ATOM 1172 CA ALA A 915 19.429 13.979 -2.327 1.00 0.00 C ATOM 1173 C ALA A 915 20.428 14.719 -3.216 1.00 0.00 C ATOM 1174 O ALA A 915 21.640 14.503 -3.159 1.00 0.00 O ATOM 1175 CB ALA A 915 19.241 12.561 -2.809 1.00 0.00 C ATOM 0 H ALA A 915 17.431 14.265 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 915 19.826 13.948 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.204 12.050 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.559 12.037 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.824 12.571 -3.816 1.00 0.00 H new ATOM 1181 N ASN A 916 19.907 15.607 -4.010 1.00 0.00 N ATOM 1182 CA ASN A 916 20.694 16.335 -4.974 1.00 0.00 C ATOM 1183 C ASN A 916 21.222 17.612 -4.360 1.00 0.00 C ATOM 1184 O ASN A 916 22.372 17.979 -4.572 1.00 0.00 O ATOM 1185 CB ASN A 916 19.859 16.640 -6.215 1.00 0.00 C ATOM 1186 CG ASN A 916 20.638 17.320 -7.322 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.222 16.661 -8.185 1.00 0.00 O ATOM 1188 ND2 ASN A 916 20.632 18.622 -7.333 1.00 0.00 N ATOM 0 H ASN A 916 18.917 15.852 -4.011 1.00 0.00 H new ATOM 0 HA ASN A 916 21.543 15.720 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.439 15.709 -6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 916 19.020 17.275 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 916 21.121 19.128 -8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 916 20.138 19.136 -6.603 1.00 0.00 H new ATOM 1195 N LYS A 917 20.384 18.273 -3.572 1.00 0.00 N ATOM 1196 CA LYS A 917 20.758 19.521 -2.914 1.00 0.00 C ATOM 1197 C LYS A 917 21.907 19.299 -1.935 1.00 0.00 C ATOM 1198 O LYS A 917 22.718 20.187 -1.703 1.00 0.00 O ATOM 1199 CB LYS A 917 19.546 20.161 -2.207 1.00 0.00 C ATOM 1200 CG LYS A 917 19.003 19.360 -1.045 1.00 0.00 C ATOM 1201 CD LYS A 917 17.723 19.958 -0.492 1.00 0.00 C ATOM 1202 CE LYS A 917 17.182 19.139 0.671 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.847 19.617 1.094 1.00 0.00 N ATOM 0 H LYS A 917 19.433 17.964 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 917 21.100 20.214 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 917 19.831 21.150 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 917 18.749 20.304 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.815 18.336 -1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.752 19.313 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 917 17.910 20.980 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 917 16.973 20.010 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.119 18.090 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.874 19.197 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.281 18.812 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 15.954 20.311 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.367 20.064 0.287 1.00 0.00 H new ATOM 1217 N ILE A 918 21.990 18.098 -1.402 1.00 0.00 N ATOM 1218 CA ILE A 918 23.023 17.744 -0.452 1.00 0.00 C ATOM 1219 C ILE A 918 24.364 17.554 -1.170 1.00 0.00 C ATOM 1220 O ILE A 918 25.429 17.896 -0.640 1.00 0.00 O ATOM 1221 CB ILE A 918 22.652 16.435 0.307 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.252 16.563 0.921 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.684 16.126 1.397 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.773 15.326 1.653 1.00 0.00 C ATOM 0 H ILE A 918 21.343 17.339 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 918 23.110 18.557 0.269 1.00 0.00 H new ATOM 0 HB ILE A 918 22.653 15.610 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.248 17.404 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.542 16.799 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.404 15.208 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.667 16.002 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.716 16.949 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.776 15.504 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.740 14.484 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.458 15.098 2.470 1.00 0.00 H new ATOM 1236 N LYS A 919 24.316 17.098 -2.398 1.00 0.00 N ATOM 1237 CA LYS A 919 25.526 16.763 -3.088 1.00 0.00 C ATOM 1238 C LYS A 919 25.961 17.889 -4.015 1.00 0.00 C ATOM 1239 O LYS A 919 25.691 17.889 -5.225 1.00 0.00 O ATOM 1240 CB LYS A 919 25.405 15.437 -3.838 1.00 0.00 C ATOM 1241 CG LYS A 919 26.749 14.864 -4.244 1.00 0.00 C ATOM 1242 CD LYS A 919 26.622 13.561 -5.006 1.00 0.00 C ATOM 1243 CE LYS A 919 27.991 12.916 -5.216 1.00 0.00 C ATOM 1244 NZ LYS A 919 28.934 13.808 -5.924 1.00 0.00 N ATOM 0 H LYS A 919 23.459 16.953 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 919 26.303 16.634 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 919 24.883 14.716 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 919 24.794 15.584 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 919 27.278 15.591 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 919 27.355 14.701 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 919 25.973 12.877 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 919 26.150 13.744 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 919 28.412 12.642 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 919 27.871 11.994 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 29.777 13.268 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 28.473 14.199 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 29.216 14.585 -5.294 1.00 0.00 H new ATOM 1258 N LYS A 920 26.555 18.882 -3.426 1.00 0.00 N ATOM 1259 CA LYS A 920 27.092 20.008 -4.165 1.00 0.00 C ATOM 1260 C LYS A 920 28.457 20.362 -3.619 1.00 0.00 C ATOM 1261 O LYS A 920 28.981 21.451 -3.862 1.00 0.00 O ATOM 1262 CB LYS A 920 26.178 21.220 -4.054 1.00 0.00 C ATOM 1263 CG LYS A 920 25.982 21.732 -2.637 1.00 0.00 C ATOM 1264 CD LYS A 920 25.497 23.175 -2.645 1.00 0.00 C ATOM 1265 CE LYS A 920 24.068 23.319 -3.137 1.00 0.00 C ATOM 1266 NZ LYS A 920 23.092 22.796 -2.168 1.00 0.00 N ATOM 0 H LYS A 920 26.687 18.944 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 920 27.168 19.726 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 920 26.587 22.025 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 920 25.205 20.965 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 920 25.260 21.104 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 920 26.921 21.662 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 920 25.571 23.583 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 920 26.155 23.770 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 920 23.857 24.370 -3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 920 23.956 22.791 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 22.152 23.189 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 23.056 21.759 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 23.377 23.070 -1.206 1.00 0.00 H new ATOM 1280 N ASP A 921 29.031 19.415 -2.909 1.00 0.00 N ATOM 1281 CA ASP A 921 30.325 19.583 -2.234 1.00 0.00 C ATOM 1282 C ASP A 921 31.423 19.898 -3.236 1.00 0.00 C ATOM 1283 O ASP A 921 31.881 19.009 -3.966 1.00 0.00 O ATOM 1284 CB ASP A 921 30.672 18.328 -1.426 1.00 0.00 C ATOM 1285 CG ASP A 921 31.989 18.428 -0.674 1.00 0.00 C ATOM 1286 OD1 ASP A 921 32.069 19.196 0.310 1.00 0.00 O ATOM 1287 OD2 ASP A 921 32.951 17.704 -1.024 1.00 0.00 O ATOM 0 H ASP A 921 28.618 18.492 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 921 30.246 20.426 -1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 921 29.871 18.133 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 921 30.713 17.473 -2.100 1.00 0.00 H new ATOM 1292 N LYS A 922 31.774 21.189 -3.318 1.00 0.00 N ATOM 1293 CA LYS A 922 32.788 21.712 -4.254 1.00 0.00 C ATOM 1294 C LYS A 922 32.415 21.385 -5.706 1.00 0.00 C ATOM 1295 O LYS A 922 33.276 21.303 -6.594 1.00 0.00 O ATOM 1296 CB LYS A 922 34.182 21.184 -3.885 1.00 0.00 C ATOM 1297 CG LYS A 922 34.624 21.637 -2.508 1.00 0.00 C ATOM 1298 CD LYS A 922 35.974 21.082 -2.122 1.00 0.00 C ATOM 1299 CE LYS A 922 36.368 21.584 -0.745 1.00 0.00 C ATOM 1300 NZ LYS A 922 37.638 21.006 -0.269 1.00 0.00 N ATOM 0 H LYS A 922 31.358 21.911 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 922 32.815 22.798 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 922 34.177 20.095 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 922 34.905 21.525 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 922 34.662 22.726 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 922 33.883 21.326 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 922 35.943 19.992 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 922 36.723 21.382 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 922 36.455 22.670 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 922 35.576 21.344 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 37.859 21.383 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 37.550 19.971 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 38.402 21.256 -0.929 1.00 0.00 H new ATOM 1314 N LYS A 923 31.123 21.240 -5.930 1.00 0.00 N ATOM 1315 CA LYS A 923 30.558 20.888 -7.211 1.00 0.00 C ATOM 1316 C LYS A 923 29.275 21.679 -7.418 1.00 0.00 C ATOM 1317 O LYS A 923 28.889 22.487 -6.567 1.00 0.00 O ATOM 1318 CB LYS A 923 30.247 19.371 -7.261 1.00 0.00 C ATOM 1319 CG LYS A 923 31.475 18.469 -7.190 1.00 0.00 C ATOM 1320 CD LYS A 923 32.303 18.548 -8.463 1.00 0.00 C ATOM 1321 CE LYS A 923 33.639 17.839 -8.306 1.00 0.00 C ATOM 1322 NZ LYS A 923 34.542 18.564 -7.372 1.00 0.00 N ATOM 0 H LYS A 923 30.420 21.368 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 923 31.273 21.124 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 923 29.581 19.122 -6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 923 29.706 19.154 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 923 32.090 18.757 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 923 31.161 17.439 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 923 31.748 18.101 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 923 32.473 19.593 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 923 33.472 16.827 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 923 34.120 17.749 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 35.463 18.719 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 34.120 19.481 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 34.675 17.999 -6.509 1.00 0.00 H new ATOM 1336 N HIS A 924 28.644 21.454 -8.517 1.00 0.00 N ATOM 1337 CA HIS A 924 27.398 22.078 -8.856 1.00 0.00 C ATOM 1338 C HIS A 924 26.657 21.128 -9.758 1.00 0.00 C ATOM 1339 O HIS A 924 25.691 20.506 -9.304 1.00 0.00 O ATOM 1340 CB HIS A 924 27.621 23.436 -9.549 1.00 0.00 C ATOM 1341 CG HIS A 924 26.354 24.134 -9.966 1.00 0.00 C ATOM 1342 ND1 HIS A 924 25.910 24.163 -11.268 1.00 0.00 N ATOM 1343 CD2 HIS A 924 25.443 24.836 -9.248 1.00 0.00 C ATOM 1344 CE1 HIS A 924 24.784 24.846 -11.337 1.00 0.00 C ATOM 1345 NE2 HIS A 924 24.475 25.265 -10.126 1.00 0.00 N ATOM 1346 OXT HIS A 924 27.108 20.914 -10.902 1.00 0.00 O ATOM 0 H HIS A 924 28.985 20.812 -9.232 1.00 0.00 H new ATOM 0 HA HIS A 924 26.820 22.283 -7.955 1.00 0.00 H new ATOM 0 HB2 HIS A 924 28.176 24.088 -8.875 1.00 0.00 H new ATOM 0 HB3 HIS A 924 28.245 23.283 -10.430 1.00 0.00 H new ATOM 0 HD2 HIS A 924 25.472 25.023 -8.185 1.00 0.00 H new ATOM 0 HE1 HIS A 924 24.212 25.031 -12.234 1.00 0.00 H new ATOM 0 HE2 HIS A 924 23.653 25.817 -9.880 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 12.779 15.632 -0.716 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.053 9.161 -9.387 1.00 0.00 ZN