USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 HIS : no HD1:sc= -0.0865 X(o=-0.086,f=-0.41) USER MOD Set 1.2: A 118 HIS : no HD1:sc= 0 X(o=-0.086,f=-0.19) USER MOD Set 2.1: A 100 TYR OH : rot 180:sc= -0.919 USER MOD Set 2.2: A 104 ASN :FLIP amide:sc= -10.9! C(o=-14!,f=-12!) USER MOD Set 3.1: A 28 SER OG : rot 5:sc= 0.133 USER MOD Set 3.2: A 85 ASN :FLIP amide:sc= -0.615 F(o=-3.6!,f=-0.48) USER MOD Set 4.1: A 25 ASN :FLIP amide:sc= -0.0663 F(o=-1.3!,f=-0.081) USER MOD Set 4.2: A 27 GLN : amide:sc= -0.0148 K(o=-0.081,f=-0.66) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= -1.03! (180deg=-2.3!) USER MOD Single : A 5 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 7 SER OG : rot 157:sc= 0.211 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -1.03 (180deg=-1.64) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0687) USER MOD Single : A 23 SER OG : rot 180:sc= -0.45 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 144:sc= -0.123 (180deg=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ -152:sc= -3! (180deg=-3.59!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.119 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 146:sc= -1.55 (180deg=-4.98!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 130:sc= -0.0771 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= 0.902 (180deg=0.29) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.116 F(o=-1.8!,f=-0.12) USER MOD Single : A 76 THR OG1 : rot -34:sc= -0.0232! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 170:sc= 0.0916 USER MOD Single : A 87 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.049) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 153:sc= -0.211 (180deg=-0.912) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 145:sc= -2.86 (180deg=-4.47!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.762 K(o=-0.76,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.132 3.573 9.204 1.00 0.00 N ATOM 2 CA MET A 1 11.317 4.819 9.257 1.00 0.00 C ATOM 3 C MET A 1 9.925 4.508 8.707 1.00 0.00 C ATOM 4 O MET A 1 9.091 5.379 8.551 1.00 0.00 O ATOM 5 CB MET A 1 11.990 5.904 8.408 1.00 0.00 C ATOM 6 CG MET A 1 12.501 5.295 7.098 1.00 0.00 C ATOM 7 SD MET A 1 14.041 4.392 7.407 1.00 0.00 S ATOM 8 CE MET A 1 15.170 5.786 7.173 1.00 0.00 C ATOM 0 H1 MET A 1 13.139 3.820 9.124 1.00 0.00 H new ATOM 0 H2 MET A 1 11.979 3.021 10.072 1.00 0.00 H new ATOM 0 H3 MET A 1 11.848 3.007 8.379 1.00 0.00 H new ATOM 0 HA MET A 1 11.236 5.178 10.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.281 6.704 8.196 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.818 6.349 8.960 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.751 4.623 6.681 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.670 6.081 6.362 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.197 5.451 7.319 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.057 6.180 6.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.937 6.568 7.896 1.00 0.00 H new ATOM 20 N ALA A 2 9.687 3.256 8.415 1.00 0.00 N ATOM 21 CA ALA A 2 8.370 2.823 7.870 1.00 0.00 C ATOM 22 C ALA A 2 7.980 3.716 6.701 1.00 0.00 C ATOM 23 O ALA A 2 7.492 4.815 6.877 1.00 0.00 O ATOM 24 CB ALA A 2 7.304 2.891 8.965 1.00 0.00 C ATOM 0 H ALA A 2 10.364 2.503 8.534 1.00 0.00 H new ATOM 0 HA ALA A 2 8.447 1.794 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.344 2.573 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.585 2.234 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.222 3.915 9.330 1.00 0.00 H new ATOM 30 N GLU A 3 8.200 3.247 5.500 1.00 0.00 N ATOM 31 CA GLU A 3 7.854 4.061 4.301 1.00 0.00 C ATOM 32 C GLU A 3 7.443 3.163 3.138 1.00 0.00 C ATOM 33 O GLU A 3 7.795 2.001 3.070 1.00 0.00 O ATOM 34 CB GLU A 3 9.063 4.908 3.894 1.00 0.00 C ATOM 35 CG GLU A 3 10.244 4.002 3.531 1.00 0.00 C ATOM 36 CD GLU A 3 11.466 4.864 3.197 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.275 5.956 2.690 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.570 4.420 3.464 1.00 0.00 O ATOM 0 H GLU A 3 8.605 2.333 5.299 1.00 0.00 H new ATOM 0 HA GLU A 3 7.015 4.710 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.805 5.539 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.343 5.573 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.473 3.335 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.985 3.373 2.679 1.00 0.00 H new ATOM 45 N ILE A 4 6.699 3.718 2.221 1.00 0.00 N ATOM 46 CA ILE A 4 6.231 2.952 1.030 1.00 0.00 C ATOM 47 C ILE A 4 6.958 3.450 -0.210 1.00 0.00 C ATOM 48 O ILE A 4 7.050 4.636 -0.459 1.00 0.00 O ATOM 49 CB ILE A 4 4.723 3.147 0.848 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.988 2.596 2.076 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.269 2.391 -0.406 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.516 3.019 2.033 1.00 0.00 C ATOM 0 H ILE A 4 6.390 4.690 2.247 1.00 0.00 H new ATOM 0 HA ILE A 4 6.442 1.893 1.178 1.00 0.00 H new ATOM 0 HB ILE A 4 4.496 4.208 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.063 1.509 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.456 2.967 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.196 2.525 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.797 2.780 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.491 1.330 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.998 2.625 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.450 4.107 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.051 2.626 1.129 1.00 0.00 H new ATOM 64 N GLN A 5 7.481 2.538 -0.984 1.00 0.00 N ATOM 65 CA GLN A 5 8.221 2.914 -2.226 1.00 0.00 C ATOM 66 C GLN A 5 7.676 2.118 -3.408 1.00 0.00 C ATOM 67 O GLN A 5 7.477 0.922 -3.335 1.00 0.00 O ATOM 68 CB GLN A 5 9.711 2.612 -2.046 1.00 0.00 C ATOM 69 CG GLN A 5 10.285 3.526 -0.960 1.00 0.00 C ATOM 70 CD GLN A 5 11.771 3.224 -0.755 1.00 0.00 C ATOM 71 OE1 GLN A 5 12.357 2.456 -1.494 1.00 0.00 O ATOM 72 NE2 GLN A 5 12.407 3.792 0.231 1.00 0.00 N ATOM 0 H GLN A 5 7.427 1.535 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 5 8.089 3.979 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.851 1.567 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.241 2.767 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.153 4.570 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.743 3.379 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.916 4.436 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.396 3.592 0.383 1.00 0.00 H new ATOM 81 N PHE A 6 7.444 2.790 -4.501 1.00 0.00 N ATOM 82 CA PHE A 6 6.918 2.117 -5.722 1.00 0.00 C ATOM 83 C PHE A 6 8.084 1.721 -6.623 1.00 0.00 C ATOM 84 O PHE A 6 8.402 0.557 -6.767 1.00 0.00 O ATOM 85 CB PHE A 6 6.012 3.086 -6.490 1.00 0.00 C ATOM 86 CG PHE A 6 4.696 3.231 -5.768 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.697 2.266 -5.944 1.00 0.00 C ATOM 88 CD2 PHE A 6 4.474 4.324 -4.921 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.475 2.394 -5.275 1.00 0.00 C ATOM 90 CE2 PHE A 6 3.251 4.451 -4.252 1.00 0.00 C ATOM 91 CZ PHE A 6 2.252 3.487 -4.429 1.00 0.00 C ATOM 0 H PHE A 6 7.599 3.793 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 6 6.353 1.232 -5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.497 4.058 -6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.844 2.718 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.870 1.423 -6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.245 5.068 -4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.704 1.650 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.078 5.294 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.309 3.586 -3.913 1.00 0.00 H new ATOM 101 N SER A 7 8.712 2.689 -7.240 1.00 0.00 N ATOM 102 CA SER A 7 9.857 2.402 -8.159 1.00 0.00 C ATOM 103 C SER A 7 11.178 2.817 -7.506 1.00 0.00 C ATOM 104 O SER A 7 11.376 3.954 -7.125 1.00 0.00 O ATOM 105 CB SER A 7 9.655 3.175 -9.466 1.00 0.00 C ATOM 106 OG SER A 7 8.579 2.587 -10.192 1.00 0.00 O ATOM 0 H SER A 7 8.478 3.677 -7.146 1.00 0.00 H new ATOM 0 HA SER A 7 9.895 1.333 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.438 4.222 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.568 3.152 -10.062 1.00 0.00 H new ATOM 0 HG SER A 7 8.200 3.248 -10.808 1.00 0.00 H new ATOM 112 N LYS A 8 12.078 1.878 -7.389 1.00 0.00 N ATOM 113 CA LYS A 8 13.414 2.132 -6.775 1.00 0.00 C ATOM 114 C LYS A 8 13.305 3.034 -5.551 1.00 0.00 C ATOM 115 O LYS A 8 12.234 3.285 -5.033 1.00 0.00 O ATOM 116 CB LYS A 8 14.340 2.788 -7.799 1.00 0.00 C ATOM 117 CG LYS A 8 14.612 1.808 -8.943 1.00 0.00 C ATOM 118 CD LYS A 8 15.669 2.397 -9.884 1.00 0.00 C ATOM 119 CE LYS A 8 15.163 3.717 -10.475 1.00 0.00 C ATOM 120 NZ LYS A 8 13.706 3.604 -10.770 1.00 0.00 N ATOM 0 H LYS A 8 11.938 0.918 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 8 13.822 1.171 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.884 3.699 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.277 3.078 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.957 0.854 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.692 1.610 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.599 2.564 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.890 1.691 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.341 4.533 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.712 3.954 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.430 4.344 -11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.506 2.669 -11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.164 3.720 -9.890 1.00 0.00 H new ATOM 134 N GLY A 9 14.429 3.504 -5.080 1.00 0.00 N ATOM 135 CA GLY A 9 14.451 4.379 -3.876 1.00 0.00 C ATOM 136 C GLY A 9 13.852 5.733 -4.217 1.00 0.00 C ATOM 137 O GLY A 9 14.549 6.667 -4.560 1.00 0.00 O ATOM 0 H GLY A 9 15.345 3.315 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.888 3.915 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.475 4.502 -3.522 1.00 0.00 H new ATOM 141 N VAL A 10 12.555 5.837 -4.116 1.00 0.00 N ATOM 142 CA VAL A 10 11.854 7.121 -4.424 1.00 0.00 C ATOM 143 C VAL A 10 11.100 7.604 -3.186 1.00 0.00 C ATOM 144 O VAL A 10 10.395 6.859 -2.534 1.00 0.00 O ATOM 145 CB VAL A 10 10.880 6.901 -5.581 1.00 0.00 C ATOM 146 CG1 VAL A 10 9.973 8.124 -5.728 1.00 0.00 C ATOM 147 CG2 VAL A 10 11.679 6.698 -6.872 1.00 0.00 C ATOM 0 H VAL A 10 11.940 5.076 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 10 12.584 7.878 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 10 10.266 6.022 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.279 7.965 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.412 8.274 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.581 9.006 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.992 6.540 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.287 7.581 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.327 5.828 -6.766 1.00 0.00 H new ATOM 157 N ALA A 11 11.258 8.858 -2.874 1.00 0.00 N ATOM 158 CA ALA A 11 10.579 9.446 -1.688 1.00 0.00 C ATOM 159 C ALA A 11 9.070 9.291 -1.816 1.00 0.00 C ATOM 160 O ALA A 11 8.509 9.385 -2.890 1.00 0.00 O ATOM 161 CB ALA A 11 10.931 10.932 -1.586 1.00 0.00 C ATOM 0 H ALA A 11 11.839 9.511 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 11 10.914 8.925 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.434 11.365 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.010 11.044 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.600 11.447 -2.488 1.00 0.00 H new ATOM 167 N GLU A 12 8.413 9.052 -0.714 1.00 0.00 N ATOM 168 CA GLU A 12 6.931 8.880 -0.730 1.00 0.00 C ATOM 169 C GLU A 12 6.320 9.624 0.462 1.00 0.00 C ATOM 170 O GLU A 12 5.768 10.697 0.313 1.00 0.00 O ATOM 171 CB GLU A 12 6.596 7.389 -0.625 1.00 0.00 C ATOM 172 CG GLU A 12 5.091 7.185 -0.814 1.00 0.00 C ATOM 173 CD GLU A 12 4.706 7.488 -2.264 1.00 0.00 C ATOM 174 OE1 GLU A 12 5.601 7.681 -3.070 1.00 0.00 O ATOM 175 OE2 GLU A 12 3.519 7.521 -2.545 1.00 0.00 O ATOM 0 H GLU A 12 8.844 8.968 0.207 1.00 0.00 H new ATOM 0 HA GLU A 12 6.524 9.283 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.147 6.828 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.906 7.004 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.819 6.160 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.538 7.837 -0.137 1.00 0.00 H new ATOM 182 N THR A 13 6.414 9.048 1.635 1.00 0.00 N ATOM 183 CA THR A 13 5.839 9.681 2.865 1.00 0.00 C ATOM 184 C THR A 13 4.510 10.378 2.532 1.00 0.00 C ATOM 185 O THR A 13 4.146 11.368 3.139 1.00 0.00 O ATOM 186 CB THR A 13 6.835 10.699 3.435 1.00 0.00 C ATOM 187 OG1 THR A 13 7.086 11.712 2.471 1.00 0.00 O ATOM 188 CG2 THR A 13 8.146 9.992 3.793 1.00 0.00 C ATOM 0 H THR A 13 6.872 8.151 1.796 1.00 0.00 H new ATOM 0 HA THR A 13 5.651 8.906 3.608 1.00 0.00 H new ATOM 0 HB THR A 13 6.414 11.152 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.721 12.362 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.852 10.717 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.952 9.220 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.569 9.535 2.898 1.00 0.00 H new ATOM 196 N VAL A 14 3.789 9.855 1.572 1.00 0.00 N ATOM 197 CA VAL A 14 2.480 10.457 1.170 1.00 0.00 C ATOM 198 C VAL A 14 1.447 10.244 2.282 1.00 0.00 C ATOM 199 O VAL A 14 0.446 10.930 2.350 1.00 0.00 O ATOM 200 CB VAL A 14 2.002 9.788 -0.126 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.561 10.207 -0.430 1.00 0.00 C ATOM 202 CG2 VAL A 14 2.914 10.224 -1.276 1.00 0.00 C ATOM 0 H VAL A 14 4.056 9.025 1.042 1.00 0.00 H new ATOM 0 HA VAL A 14 2.601 11.528 1.006 1.00 0.00 H new ATOM 0 HB VAL A 14 2.039 8.705 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.229 9.728 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.088 9.902 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.514 11.290 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.582 9.754 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.871 11.308 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.939 9.921 -1.062 1.00 0.00 H new ATOM 212 N VAL A 15 1.693 9.294 3.145 1.00 0.00 N ATOM 213 CA VAL A 15 0.751 9.009 4.265 1.00 0.00 C ATOM 214 C VAL A 15 -0.594 8.523 3.717 1.00 0.00 C ATOM 215 O VAL A 15 -1.635 9.053 4.052 1.00 0.00 O ATOM 216 CB VAL A 15 0.542 10.271 5.111 1.00 0.00 C ATOM 217 CG1 VAL A 15 -0.070 9.884 6.458 1.00 0.00 C ATOM 218 CG2 VAL A 15 1.890 10.961 5.344 1.00 0.00 C ATOM 0 H VAL A 15 2.519 8.696 3.120 1.00 0.00 H new ATOM 0 HA VAL A 15 1.181 8.227 4.891 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.129 10.952 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.219 10.780 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.029 9.393 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.602 9.203 6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.741 11.858 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.561 10.281 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.328 11.236 4.385 1.00 0.00 H new ATOM 228 N PRO A 16 -0.570 7.516 2.879 1.00 0.00 N ATOM 229 CA PRO A 16 -1.810 6.941 2.275 1.00 0.00 C ATOM 230 C PRO A 16 -2.725 6.291 3.318 1.00 0.00 C ATOM 231 O PRO A 16 -2.279 5.798 4.336 1.00 0.00 O ATOM 232 CB PRO A 16 -1.286 5.901 1.270 1.00 0.00 C ATOM 233 CG PRO A 16 0.085 5.549 1.758 1.00 0.00 C ATOM 234 CD PRO A 16 0.638 6.813 2.415 1.00 0.00 C ATOM 0 HA PRO A 16 -2.427 7.711 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.931 5.023 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.253 6.310 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.046 4.725 2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.722 5.228 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.307 6.576 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.207 7.417 1.708 1.00 0.00 H new ATOM 242 N GLU A 17 -4.005 6.296 3.055 1.00 0.00 N ATOM 243 CA GLU A 17 -4.982 5.697 4.009 1.00 0.00 C ATOM 244 C GLU A 17 -4.847 4.178 4.017 1.00 0.00 C ATOM 245 O GLU A 17 -4.797 3.536 2.986 1.00 0.00 O ATOM 246 CB GLU A 17 -6.406 6.091 3.599 1.00 0.00 C ATOM 247 CG GLU A 17 -6.605 7.594 3.832 1.00 0.00 C ATOM 248 CD GLU A 17 -7.993 8.025 3.351 1.00 0.00 C ATOM 249 OE1 GLU A 17 -8.747 7.169 2.916 1.00 0.00 O ATOM 250 OE2 GLU A 17 -8.280 9.210 3.422 1.00 0.00 O ATOM 0 H GLU A 17 -4.419 6.694 2.212 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.776 6.072 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.574 5.849 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.134 5.522 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.492 7.823 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.837 8.156 3.301 1.00 0.00 H new ATOM 257 N VAL A 18 -4.789 3.607 5.190 1.00 0.00 N ATOM 258 CA VAL A 18 -4.652 2.126 5.319 1.00 0.00 C ATOM 259 C VAL A 18 -5.985 1.520 5.743 1.00 0.00 C ATOM 260 O VAL A 18 -6.596 1.936 6.708 1.00 0.00 O ATOM 261 CB VAL A 18 -3.588 1.803 6.372 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.326 0.295 6.378 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.292 2.551 6.034 1.00 0.00 C ATOM 0 H VAL A 18 -4.831 4.110 6.076 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.355 1.707 4.358 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.938 2.115 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.569 0.060 7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.249 -0.234 6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.973 -0.017 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.534 2.322 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.938 2.239 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.483 3.624 6.027 1.00 0.00 H new ATOM 273 N ARG A 19 -6.430 0.530 5.017 1.00 0.00 N ATOM 274 CA ARG A 19 -7.725 -0.139 5.342 1.00 0.00 C ATOM 275 C ARG A 19 -7.552 -1.658 5.282 1.00 0.00 C ATOM 276 O ARG A 19 -6.935 -2.196 4.384 1.00 0.00 O ATOM 277 CB ARG A 19 -8.788 0.293 4.334 1.00 0.00 C ATOM 278 CG ARG A 19 -10.133 -0.324 4.727 1.00 0.00 C ATOM 279 CD ARG A 19 -11.213 0.109 3.731 1.00 0.00 C ATOM 280 NE ARG A 19 -11.442 1.575 3.862 1.00 0.00 N ATOM 281 CZ ARG A 19 -12.306 2.186 3.090 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.983 1.525 2.189 1.00 0.00 N ATOM 283 NH2 ARG A 19 -12.495 3.469 3.229 1.00 0.00 N ATOM 0 H ARG A 19 -5.946 0.151 4.203 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.036 0.148 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.865 1.380 4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.507 -0.027 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.054 -1.411 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.407 -0.010 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.905 -0.133 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.139 -0.434 3.921 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.921 2.108 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.842 0.521 2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.653 2.013 1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.972 3.988 3.934 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.166 3.953 2.632 1.00 0.00 H new ATOM 297 N LEU A 20 -8.104 -2.344 6.250 1.00 0.00 N ATOM 298 CA LEU A 20 -7.996 -3.835 6.306 1.00 0.00 C ATOM 299 C LEU A 20 -9.322 -4.461 5.893 1.00 0.00 C ATOM 300 O LEU A 20 -10.362 -4.175 6.451 1.00 0.00 O ATOM 301 CB LEU A 20 -7.641 -4.269 7.737 1.00 0.00 C ATOM 302 CG LEU A 20 -6.398 -3.497 8.229 1.00 0.00 C ATOM 303 CD1 LEU A 20 -5.275 -3.604 7.182 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.742 -2.005 8.474 1.00 0.00 C ATOM 0 H LEU A 20 -8.633 -1.928 7.016 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.215 -4.168 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.483 -4.081 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.447 -5.341 7.763 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.065 -3.936 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.399 -3.058 7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.015 -4.652 7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.615 -3.178 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.853 -1.479 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.091 -1.555 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.524 -1.931 9.229 1.00 0.00 H new ATOM 316 N SER A 21 -9.275 -5.319 4.905 1.00 0.00 N ATOM 317 CA SER A 21 -10.513 -5.995 4.408 1.00 0.00 C ATOM 318 C SER A 21 -10.270 -7.496 4.260 1.00 0.00 C ATOM 319 O SER A 21 -9.158 -7.944 4.059 1.00 0.00 O ATOM 320 CB SER A 21 -10.899 -5.415 3.049 1.00 0.00 C ATOM 321 OG SER A 21 -11.307 -4.064 3.216 1.00 0.00 O ATOM 0 H SER A 21 -8.420 -5.583 4.415 1.00 0.00 H new ATOM 0 HA SER A 21 -11.317 -5.830 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.053 -5.470 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.706 -5.999 2.607 1.00 0.00 H new ATOM 0 HG SER A 21 -11.554 -3.687 2.346 1.00 0.00 H new ATOM 327 N LYS A 22 -11.317 -8.271 4.364 1.00 0.00 N ATOM 328 CA LYS A 22 -11.192 -9.757 4.241 1.00 0.00 C ATOM 329 C LYS A 22 -11.721 -10.221 2.885 1.00 0.00 C ATOM 330 O LYS A 22 -12.570 -9.595 2.278 1.00 0.00 O ATOM 331 CB LYS A 22 -12.000 -10.424 5.356 1.00 0.00 C ATOM 332 CG LYS A 22 -11.558 -9.874 6.718 1.00 0.00 C ATOM 333 CD LYS A 22 -10.090 -10.238 6.980 1.00 0.00 C ATOM 334 CE LYS A 22 -9.783 -10.111 8.472 1.00 0.00 C ATOM 335 NZ LYS A 22 -9.946 -8.691 8.899 1.00 0.00 N ATOM 0 H LYS A 22 -12.266 -7.935 4.531 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.141 -10.035 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.064 -10.240 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.856 -11.504 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.682 -8.791 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.189 -10.283 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.893 -11.256 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.435 -9.581 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.451 -10.753 9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.766 -10.447 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.577 -8.574 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.421 -8.071 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.954 -8.437 8.881 1.00 0.00 H new ATOM 349 N SER A 23 -11.200 -11.319 2.415 1.00 0.00 N ATOM 350 CA SER A 23 -11.609 -11.877 1.095 1.00 0.00 C ATOM 351 C SER A 23 -13.126 -12.017 1.007 1.00 0.00 C ATOM 352 O SER A 23 -13.849 -11.750 1.948 1.00 0.00 O ATOM 353 CB SER A 23 -10.963 -13.250 0.912 1.00 0.00 C ATOM 354 OG SER A 23 -11.533 -13.888 -0.221 1.00 0.00 O ATOM 0 H SER A 23 -10.491 -11.867 2.902 1.00 0.00 H new ATOM 0 HA SER A 23 -11.280 -11.195 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.886 -13.144 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.117 -13.859 1.803 1.00 0.00 H new ATOM 0 HG SER A 23 -11.120 -14.768 -0.343 1.00 0.00 H new ATOM 360 N LYS A 24 -13.604 -12.429 -0.138 1.00 0.00 N ATOM 361 CA LYS A 24 -15.071 -12.592 -0.346 1.00 0.00 C ATOM 362 C LYS A 24 -15.602 -13.687 0.576 1.00 0.00 C ATOM 363 O LYS A 24 -16.651 -13.549 1.172 1.00 0.00 O ATOM 364 CB LYS A 24 -15.342 -12.973 -1.813 1.00 0.00 C ATOM 365 CG LYS A 24 -15.268 -11.728 -2.708 1.00 0.00 C ATOM 366 CD LYS A 24 -13.830 -11.203 -2.757 1.00 0.00 C ATOM 367 CE LYS A 24 -13.710 -10.131 -3.840 1.00 0.00 C ATOM 368 NZ LYS A 24 -12.327 -9.573 -3.837 1.00 0.00 N ATOM 0 H LYS A 24 -13.031 -12.662 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.576 -11.654 -0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.613 -13.712 -2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.326 -13.434 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.609 -11.972 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.933 -10.954 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.551 -10.788 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.141 -12.022 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.939 -10.558 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.435 -9.336 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.245 -8.844 -4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.125 -9.151 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.645 -10.335 -4.027 1.00 0.00 H new ATOM 382 N ASN A 25 -14.884 -14.773 0.699 1.00 0.00 N ATOM 383 CA ASN A 25 -15.337 -15.886 1.589 1.00 0.00 C ATOM 384 C ASN A 25 -14.619 -15.759 2.933 1.00 0.00 C ATOM 385 O ASN A 25 -14.870 -16.507 3.857 1.00 0.00 O ATOM 386 CB ASN A 25 -14.996 -17.232 0.939 1.00 0.00 C ATOM 387 CG ASN A 25 -15.867 -17.442 -0.305 1.00 0.00 C ATOM 388 OD1 ASN A 25 -17.068 -16.928 -0.346 1.00 0.00 O flip ATOM 389 ND2 ASN A 25 -15.453 -18.085 -1.250 1.00 0.00 N flip ATOM 0 H ASN A 25 -13.999 -14.939 0.219 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.415 -15.831 1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.941 -17.257 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.160 -18.042 1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.516 -18.488 -1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.042 -18.222 -2.071 1.00 0.00 H new ATOM 396 N GLY A 26 -13.731 -14.803 3.038 1.00 0.00 N ATOM 397 CA GLY A 26 -12.981 -14.586 4.311 1.00 0.00 C ATOM 398 C GLY A 26 -11.998 -15.734 4.525 1.00 0.00 C ATOM 399 O GLY A 26 -11.537 -15.974 5.623 1.00 0.00 O ATOM 0 H GLY A 26 -13.492 -14.156 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.446 -13.637 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.675 -14.527 5.149 1.00 0.00 H new ATOM 403 N GLN A 27 -11.673 -16.437 3.474 1.00 0.00 N ATOM 404 CA GLN A 27 -10.718 -17.577 3.583 1.00 0.00 C ATOM 405 C GLN A 27 -9.295 -17.058 3.377 1.00 0.00 C ATOM 406 O GLN A 27 -8.333 -17.789 3.503 1.00 0.00 O ATOM 407 CB GLN A 27 -11.055 -18.622 2.509 1.00 0.00 C ATOM 408 CG GLN A 27 -10.942 -17.997 1.112 1.00 0.00 C ATOM 409 CD GLN A 27 -11.369 -19.021 0.055 1.00 0.00 C ATOM 410 OE1 GLN A 27 -11.103 -20.200 0.189 1.00 0.00 O ATOM 411 NE2 GLN A 27 -12.023 -18.617 -1.001 1.00 0.00 N ATOM 0 H GLN A 27 -12.032 -16.268 2.534 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.795 -18.037 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.377 -19.472 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.064 -19.003 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.571 -17.109 1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.917 -17.675 0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.247 -17.628 -1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.310 -19.290 -1.712 1.00 0.00 H new ATOM 420 N SER A 28 -9.164 -15.794 3.064 1.00 0.00 N ATOM 421 CA SER A 28 -7.812 -15.195 2.849 1.00 0.00 C ATOM 422 C SER A 28 -7.814 -13.741 3.322 1.00 0.00 C ATOM 423 O SER A 28 -8.578 -12.918 2.855 1.00 0.00 O ATOM 424 CB SER A 28 -7.450 -15.252 1.367 1.00 0.00 C ATOM 425 OG SER A 28 -7.165 -16.597 1.009 1.00 0.00 O ATOM 0 H SER A 28 -9.943 -15.146 2.947 1.00 0.00 H new ATOM 0 HA SER A 28 -7.075 -15.760 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.273 -14.869 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.586 -14.618 1.166 1.00 0.00 H new ATOM 0 HG SER A 28 -7.342 -17.184 1.774 1.00 0.00 H new ATOM 431 N GLY A 29 -6.957 -13.432 4.256 1.00 0.00 N ATOM 432 CA GLY A 29 -6.875 -12.048 4.804 1.00 0.00 C ATOM 433 C GLY A 29 -6.064 -11.152 3.870 1.00 0.00 C ATOM 434 O GLY A 29 -5.085 -11.565 3.282 1.00 0.00 O ATOM 0 H GLY A 29 -6.299 -14.092 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.878 -11.640 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.413 -12.068 5.791 1.00 0.00 H new ATOM 438 N MET A 30 -6.479 -9.921 3.741 1.00 0.00 N ATOM 439 CA MET A 30 -5.760 -8.970 2.851 1.00 0.00 C ATOM 440 C MET A 30 -5.978 -7.533 3.324 1.00 0.00 C ATOM 441 O MET A 30 -6.842 -7.254 4.135 1.00 0.00 O ATOM 442 CB MET A 30 -6.281 -9.127 1.422 1.00 0.00 C ATOM 443 CG MET A 30 -7.778 -8.799 1.358 1.00 0.00 C ATOM 444 SD MET A 30 -8.366 -9.017 -0.341 1.00 0.00 S ATOM 445 CE MET A 30 -8.265 -10.823 -0.405 1.00 0.00 C ATOM 0 H MET A 30 -7.292 -9.532 4.219 1.00 0.00 H new ATOM 0 HA MET A 30 -4.693 -9.189 2.881 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.729 -8.467 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.111 -10.147 1.076 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.334 -9.449 2.034 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.952 -7.774 1.687 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.091 -11.213 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.320 -11.119 -0.860 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.323 -11.227 0.606 1.00 0.00 H new ATOM 455 N ALA A 31 -5.195 -6.618 2.812 1.00 0.00 N ATOM 456 CA ALA A 31 -5.328 -5.184 3.208 1.00 0.00 C ATOM 457 C ALA A 31 -5.344 -4.308 1.964 1.00 0.00 C ATOM 458 O ALA A 31 -4.662 -4.569 0.994 1.00 0.00 O ATOM 459 CB ALA A 31 -4.148 -4.784 4.095 1.00 0.00 C ATOM 0 H ALA A 31 -4.461 -6.806 2.129 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.259 -5.049 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.247 -3.737 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.138 -5.407 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.217 -4.923 3.546 1.00 0.00 H new ATOM 465 N LYS A 32 -6.133 -3.268 1.996 1.00 0.00 N ATOM 466 CA LYS A 32 -6.242 -2.343 0.830 1.00 0.00 C ATOM 467 C LYS A 32 -5.596 -1.004 1.155 1.00 0.00 C ATOM 468 O LYS A 32 -5.669 -0.510 2.263 1.00 0.00 O ATOM 469 CB LYS A 32 -7.718 -2.129 0.492 1.00 0.00 C ATOM 470 CG LYS A 32 -8.303 -3.435 -0.050 1.00 0.00 C ATOM 471 CD LYS A 32 -9.776 -3.228 -0.410 1.00 0.00 C ATOM 472 CE LYS A 32 -10.340 -4.516 -1.014 1.00 0.00 C ATOM 473 NZ LYS A 32 -10.253 -5.618 -0.013 1.00 0.00 N ATOM 0 H LYS A 32 -6.716 -3.016 2.794 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.726 -2.784 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.265 -1.812 1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.823 -1.335 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.745 -3.758 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.208 -4.225 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.343 -2.952 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.876 -2.407 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.377 -4.365 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.783 -4.782 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.171 -6.530 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.418 -5.474 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.110 -5.620 0.577 1.00 0.00 H new ATOM 487 N PHE A 33 -4.965 -0.415 0.174 1.00 0.00 N ATOM 488 CA PHE A 33 -4.295 0.904 0.362 1.00 0.00 C ATOM 489 C PHE A 33 -4.843 1.904 -0.646 1.00 0.00 C ATOM 490 O PHE A 33 -5.015 1.604 -1.811 1.00 0.00 O ATOM 491 CB PHE A 33 -2.788 0.740 0.155 1.00 0.00 C ATOM 492 CG PHE A 33 -2.200 0.033 1.353 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.152 -1.365 1.390 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.709 0.779 2.431 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.613 -2.017 2.505 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.172 0.127 3.546 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.124 -1.271 3.584 1.00 0.00 C ATOM 0 H PHE A 33 -4.885 -0.800 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.487 1.269 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.593 0.168 -0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.318 1.715 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.531 -1.941 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.745 1.858 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.574 -3.096 2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.794 0.703 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.710 -1.774 4.445 1.00 0.00 H new ATOM 507 N TYR A 34 -5.121 3.095 -0.188 1.00 0.00 N ATOM 508 CA TYR A 34 -5.671 4.159 -1.080 1.00 0.00 C ATOM 509 C TYR A 34 -4.721 5.354 -1.098 1.00 0.00 C ATOM 510 O TYR A 34 -4.345 5.891 -0.070 1.00 0.00 O ATOM 511 CB TYR A 34 -7.041 4.593 -0.562 1.00 0.00 C ATOM 512 CG TYR A 34 -7.613 5.634 -1.491 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.090 5.256 -2.750 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.665 6.978 -1.097 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.620 6.218 -3.617 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.195 7.941 -1.964 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.672 7.562 -3.224 1.00 0.00 C ATOM 518 OH TYR A 34 -9.193 8.509 -4.079 1.00 0.00 O ATOM 0 H TYR A 34 -4.988 3.381 0.782 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.774 3.771 -2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.710 3.734 -0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.951 4.998 0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.049 4.220 -3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.296 7.271 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.989 5.925 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.236 8.977 -1.660 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.156 9.390 -3.652 1.00 0.00 H new ATOM 528 N PHE A 35 -4.336 5.765 -2.276 1.00 0.00 N ATOM 529 CA PHE A 35 -3.404 6.922 -2.428 1.00 0.00 C ATOM 530 C PHE A 35 -4.170 8.119 -2.977 1.00 0.00 C ATOM 531 O PHE A 35 -4.726 8.076 -4.062 1.00 0.00 O ATOM 532 CB PHE A 35 -2.289 6.542 -3.404 1.00 0.00 C ATOM 533 CG PHE A 35 -1.308 5.614 -2.720 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.635 4.265 -2.526 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.073 6.103 -2.280 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.725 3.408 -1.894 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.837 5.248 -1.649 1.00 0.00 C ATOM 538 CZ PHE A 35 0.508 3.901 -1.454 1.00 0.00 C ATOM 0 H PHE A 35 -4.633 5.341 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.974 7.178 -1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.712 6.056 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.775 7.438 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.588 3.886 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.178 7.143 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.975 2.368 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.791 5.626 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.208 3.241 -0.963 1.00 0.00 H new ATOM 548 N LEU A 36 -4.201 9.190 -2.227 1.00 0.00 N ATOM 549 CA LEU A 36 -4.928 10.414 -2.671 1.00 0.00 C ATOM 550 C LEU A 36 -3.939 11.428 -3.246 1.00 0.00 C ATOM 551 O LEU A 36 -3.011 11.857 -2.588 1.00 0.00 O ATOM 552 CB LEU A 36 -5.663 11.036 -1.474 1.00 0.00 C ATOM 553 CG LEU A 36 -6.370 12.330 -1.907 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.335 12.036 -3.067 1.00 0.00 C ATOM 555 CD2 LEU A 36 -7.152 12.905 -0.724 1.00 0.00 C ATOM 0 H LEU A 36 -3.748 9.268 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.649 10.142 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.391 10.329 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.955 11.249 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.624 13.053 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.833 12.958 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.777 11.632 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.081 11.310 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.653 13.823 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.894 12.180 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.466 13.123 0.094 1.00 0.00 H new ATOM 567 N GLU A 37 -4.159 11.818 -4.475 1.00 0.00 N ATOM 568 CA GLU A 37 -3.271 12.812 -5.145 1.00 0.00 C ATOM 569 C GLU A 37 -1.810 12.528 -4.799 1.00 0.00 C ATOM 570 O GLU A 37 -1.111 13.379 -4.280 1.00 0.00 O ATOM 571 CB GLU A 37 -3.648 14.227 -4.692 1.00 0.00 C ATOM 572 CG GLU A 37 -5.012 14.607 -5.284 1.00 0.00 C ATOM 573 CD GLU A 37 -5.386 16.027 -4.854 1.00 0.00 C ATOM 574 OE1 GLU A 37 -5.890 16.178 -3.754 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.165 16.939 -5.634 1.00 0.00 O ATOM 0 H GLU A 37 -4.931 11.483 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.399 12.733 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.686 14.274 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.888 14.939 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.977 14.544 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.773 13.903 -4.948 1.00 0.00 H new ATOM 582 N PRO A 38 -1.350 11.334 -5.081 1.00 0.00 N ATOM 583 CA PRO A 38 0.059 10.928 -4.790 1.00 0.00 C ATOM 584 C PRO A 38 1.088 11.726 -5.604 1.00 0.00 C ATOM 585 O PRO A 38 0.867 12.068 -6.750 1.00 0.00 O ATOM 586 CB PRO A 38 0.100 9.430 -5.141 1.00 0.00 C ATOM 587 CG PRO A 38 -1.062 9.197 -6.061 1.00 0.00 C ATOM 588 CD PRO A 38 -2.123 10.242 -5.701 1.00 0.00 C ATOM 0 HA PRO A 38 0.327 11.126 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.041 9.167 -5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.019 8.815 -4.244 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.757 9.297 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.456 8.188 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.661 10.585 -6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.865 9.837 -5.013 1.00 0.00 H new ATOM 596 N THR A 39 2.211 12.011 -4.998 1.00 0.00 N ATOM 597 CA THR A 39 3.290 12.782 -5.684 1.00 0.00 C ATOM 598 C THR A 39 3.915 11.935 -6.791 1.00 0.00 C ATOM 599 O THR A 39 4.532 12.451 -7.706 1.00 0.00 O ATOM 600 CB THR A 39 4.374 13.166 -4.666 1.00 0.00 C ATOM 601 OG1 THR A 39 3.769 13.799 -3.547 1.00 0.00 O ATOM 602 CG2 THR A 39 5.373 14.120 -5.321 1.00 0.00 C ATOM 0 H THR A 39 2.429 11.737 -4.040 1.00 0.00 H new ATOM 0 HA THR A 39 2.859 13.683 -6.121 1.00 0.00 H new ATOM 0 HB THR A 39 4.897 12.269 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.460 14.043 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.143 14.393 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.836 13.630 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.853 15.018 -5.654 1.00 0.00 H new ATOM 610 N ILE A 40 3.780 10.643 -6.707 1.00 0.00 N ATOM 611 CA ILE A 40 4.383 9.760 -7.740 1.00 0.00 C ATOM 612 C ILE A 40 3.785 10.090 -9.110 1.00 0.00 C ATOM 613 O ILE A 40 4.122 9.482 -10.107 1.00 0.00 O ATOM 614 CB ILE A 40 4.104 8.285 -7.375 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.153 7.379 -8.056 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.687 7.873 -7.826 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.407 7.283 -7.177 1.00 0.00 C ATOM 0 H ILE A 40 3.276 10.159 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 40 5.460 9.920 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 40 4.169 8.172 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.736 6.385 -8.221 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.414 7.782 -9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.509 6.831 -7.560 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.950 8.505 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.600 7.992 -8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.143 6.643 -7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.829 8.278 -7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.141 6.860 -6.208 1.00 0.00 H new ATOM 629 N LEU A 41 2.905 11.049 -9.160 1.00 0.00 N ATOM 630 CA LEU A 41 2.285 11.438 -10.458 1.00 0.00 C ATOM 631 C LEU A 41 3.145 12.519 -11.104 1.00 0.00 C ATOM 632 O LEU A 41 2.987 12.842 -12.262 1.00 0.00 O ATOM 633 CB LEU A 41 0.875 11.993 -10.205 1.00 0.00 C ATOM 634 CG LEU A 41 0.009 10.919 -9.532 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.375 11.501 -9.213 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.151 9.713 -10.473 1.00 0.00 C ATOM 0 H LEU A 41 2.586 11.584 -8.353 1.00 0.00 H new ATOM 0 HA LEU A 41 2.218 10.570 -11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.931 12.878 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.421 12.302 -11.147 1.00 0.00 H new ATOM 0 HG LEU A 41 0.492 10.596 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.989 10.738 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.266 12.352 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.854 11.827 -10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.766 8.954 -9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.630 10.034 -11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.830 9.295 -10.699 1.00 0.00 H new ATOM 648 N ALA A 42 4.064 13.072 -10.355 1.00 0.00 N ATOM 649 CA ALA A 42 4.960 14.135 -10.898 1.00 0.00 C ATOM 650 C ALA A 42 6.317 13.520 -11.242 1.00 0.00 C ATOM 651 O ALA A 42 7.125 14.120 -11.923 1.00 0.00 O ATOM 652 CB ALA A 42 5.156 15.223 -9.839 1.00 0.00 C ATOM 0 H ALA A 42 4.233 12.829 -9.379 1.00 0.00 H new ATOM 0 HA ALA A 42 4.513 14.570 -11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.810 16.001 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.190 15.658 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.607 14.786 -8.948 1.00 0.00 H new ATOM 658 N LYS A 43 6.574 12.327 -10.768 1.00 0.00 N ATOM 659 CA LYS A 43 7.879 11.657 -11.051 1.00 0.00 C ATOM 660 C LYS A 43 7.687 10.609 -12.146 1.00 0.00 C ATOM 661 O LYS A 43 8.425 10.566 -13.111 1.00 0.00 O ATOM 662 CB LYS A 43 8.383 10.972 -9.778 1.00 0.00 C ATOM 663 CG LYS A 43 8.774 12.037 -8.752 1.00 0.00 C ATOM 664 CD LYS A 43 9.303 11.366 -7.482 1.00 0.00 C ATOM 665 CE LYS A 43 9.721 12.439 -6.472 1.00 0.00 C ATOM 666 NZ LYS A 43 10.253 11.785 -5.241 1.00 0.00 N ATOM 0 H LYS A 43 5.930 11.785 -10.192 1.00 0.00 H new ATOM 0 HA LYS A 43 8.605 12.400 -11.381 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.608 10.324 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.240 10.339 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.535 12.695 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.911 12.659 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.535 10.725 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.153 10.727 -7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.480 13.088 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.868 13.070 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.537 12.514 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.516 11.183 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.078 11.201 -5.487 1.00 0.00 H new ATOM 680 N GLU A 44 6.702 9.759 -11.998 1.00 0.00 N ATOM 681 CA GLU A 44 6.449 8.698 -13.023 1.00 0.00 C ATOM 682 C GLU A 44 4.949 8.567 -13.281 1.00 0.00 C ATOM 683 O GLU A 44 4.125 8.902 -12.452 1.00 0.00 O ATOM 684 CB GLU A 44 7.001 7.360 -12.525 1.00 0.00 C ATOM 685 CG GLU A 44 8.530 7.418 -12.499 1.00 0.00 C ATOM 686 CD GLU A 44 9.089 6.112 -11.931 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.298 5.259 -11.563 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.301 5.985 -11.875 1.00 0.00 O ATOM 0 H GLU A 44 6.058 9.754 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 44 6.948 8.975 -13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.617 7.145 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.668 6.552 -13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.914 7.581 -13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.861 8.260 -11.892 1.00 0.00 H new ATOM 695 N SER A 45 4.602 8.081 -14.440 1.00 0.00 N ATOM 696 CA SER A 45 3.167 7.919 -14.807 1.00 0.00 C ATOM 697 C SER A 45 2.550 6.754 -14.039 1.00 0.00 C ATOM 698 O SER A 45 3.235 5.887 -13.534 1.00 0.00 O ATOM 699 CB SER A 45 3.053 7.656 -16.310 1.00 0.00 C ATOM 700 OG SER A 45 1.693 7.414 -16.639 1.00 0.00 O ATOM 0 H SER A 45 5.262 7.785 -15.159 1.00 0.00 H new ATOM 0 HA SER A 45 2.632 8.833 -14.550 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.429 8.512 -16.871 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.665 6.799 -16.589 1.00 0.00 H new ATOM 0 HG SER A 45 1.614 7.247 -17.601 1.00 0.00 H new ATOM 706 N THR A 46 1.247 6.745 -13.947 1.00 0.00 N ATOM 707 CA THR A 46 0.540 5.663 -13.210 1.00 0.00 C ATOM 708 C THR A 46 0.731 4.334 -13.945 1.00 0.00 C ATOM 709 O THR A 46 0.826 3.286 -13.337 1.00 0.00 O ATOM 710 CB THR A 46 -0.961 5.990 -13.133 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.466 6.230 -14.442 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.177 7.237 -12.271 1.00 0.00 C ATOM 0 H THR A 46 0.637 7.452 -14.357 1.00 0.00 H new ATOM 0 HA THR A 46 0.949 5.585 -12.203 1.00 0.00 H new ATOM 0 HB THR A 46 -1.487 5.146 -12.687 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.423 6.436 -14.391 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.242 7.464 -12.220 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.796 7.055 -11.266 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.647 8.081 -12.713 1.00 0.00 H new ATOM 720 N ASP A 47 0.785 4.379 -15.249 1.00 0.00 N ATOM 721 CA ASP A 47 0.965 3.135 -16.048 1.00 0.00 C ATOM 722 C ASP A 47 2.408 2.637 -15.918 1.00 0.00 C ATOM 723 O ASP A 47 2.710 1.498 -16.217 1.00 0.00 O ATOM 724 CB ASP A 47 0.666 3.438 -17.523 1.00 0.00 C ATOM 725 CG ASP A 47 -0.834 3.679 -17.706 1.00 0.00 C ATOM 726 OD1 ASP A 47 -1.581 3.367 -16.793 1.00 0.00 O ATOM 727 OD2 ASP A 47 -1.210 4.172 -18.757 1.00 0.00 O ATOM 0 H ASP A 47 0.711 5.235 -15.800 1.00 0.00 H new ATOM 0 HA ASP A 47 0.285 2.367 -15.679 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.227 4.315 -17.845 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.989 2.606 -18.148 1.00 0.00 H new ATOM 732 N ASP A 48 3.300 3.488 -15.482 1.00 0.00 N ATOM 733 CA ASP A 48 4.731 3.086 -15.338 1.00 0.00 C ATOM 734 C ASP A 48 4.952 2.412 -13.977 1.00 0.00 C ATOM 735 O ASP A 48 6.045 1.987 -13.661 1.00 0.00 O ATOM 736 CB ASP A 48 5.618 4.334 -15.431 1.00 0.00 C ATOM 737 CG ASP A 48 5.600 4.876 -16.863 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.160 4.154 -17.742 1.00 0.00 O ATOM 739 OD2 ASP A 48 6.032 6.001 -17.056 1.00 0.00 O ATOM 0 H ASP A 48 3.097 4.452 -15.217 1.00 0.00 H new ATOM 0 HA ASP A 48 4.988 2.385 -16.132 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.262 5.097 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.639 4.089 -15.138 1.00 0.00 H new ATOM 744 N ILE A 49 3.924 2.323 -13.169 1.00 0.00 N ATOM 745 CA ILE A 49 4.069 1.688 -11.820 1.00 0.00 C ATOM 746 C ILE A 49 3.858 0.178 -11.917 1.00 0.00 C ATOM 747 O ILE A 49 2.835 -0.293 -12.375 1.00 0.00 O ATOM 748 CB ILE A 49 3.039 2.292 -10.856 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.355 3.777 -10.647 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.106 1.562 -9.510 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.199 4.458 -9.909 1.00 0.00 C ATOM 0 H ILE A 49 2.987 2.664 -13.386 1.00 0.00 H new ATOM 0 HA ILE A 49 5.075 1.878 -11.447 1.00 0.00 H new ATOM 0 HB ILE A 49 2.039 2.184 -11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.277 3.884 -10.075 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.519 4.262 -11.609 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.374 1.992 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.887 0.505 -9.658 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.105 1.670 -9.087 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.431 5.513 -9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.286 4.365 -10.498 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.056 3.982 -8.939 1.00 0.00 H new ATOM 763 N THR A 50 4.831 -0.581 -11.473 1.00 0.00 N ATOM 764 CA THR A 50 4.732 -2.073 -11.511 1.00 0.00 C ATOM 765 C THR A 50 4.825 -2.640 -10.093 1.00 0.00 C ATOM 766 O THR A 50 5.892 -2.928 -9.587 1.00 0.00 O ATOM 767 CB THR A 50 5.870 -2.637 -12.367 1.00 0.00 C ATOM 768 OG1 THR A 50 5.921 -1.933 -13.603 1.00 0.00 O ATOM 769 CG2 THR A 50 5.610 -4.119 -12.636 1.00 0.00 C ATOM 0 H THR A 50 5.702 -0.224 -11.080 1.00 0.00 H new ATOM 0 HA THR A 50 3.773 -2.358 -11.944 1.00 0.00 H new ATOM 0 HB THR A 50 6.818 -2.522 -11.842 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.649 -2.290 -14.153 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.417 -4.525 -13.245 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.563 -4.658 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.664 -4.232 -13.165 1.00 0.00 H new ATOM 777 N GLY A 51 3.695 -2.816 -9.462 1.00 0.00 N ATOM 778 CA GLY A 51 3.662 -3.388 -8.085 1.00 0.00 C ATOM 779 C GLY A 51 4.034 -2.334 -7.050 1.00 0.00 C ATOM 780 O GLY A 51 4.239 -1.178 -7.360 1.00 0.00 O ATOM 0 H GLY A 51 2.780 -2.584 -9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.666 -3.777 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.353 -4.228 -8.019 1.00 0.00 H new ATOM 784 N MET A 52 4.113 -2.742 -5.809 1.00 0.00 N ATOM 785 CA MET A 52 4.464 -1.798 -4.708 1.00 0.00 C ATOM 786 C MET A 52 5.511 -2.435 -3.801 1.00 0.00 C ATOM 787 O MET A 52 5.389 -3.572 -3.385 1.00 0.00 O ATOM 788 CB MET A 52 3.210 -1.469 -3.898 1.00 0.00 C ATOM 789 CG MET A 52 3.567 -0.473 -2.794 1.00 0.00 C ATOM 790 SD MET A 52 2.058 0.045 -1.938 1.00 0.00 S ATOM 791 CE MET A 52 1.649 -1.553 -1.191 1.00 0.00 C ATOM 0 H MET A 52 3.947 -3.703 -5.509 1.00 0.00 H new ATOM 0 HA MET A 52 4.869 -0.880 -5.133 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.443 -1.049 -4.549 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.795 -2.378 -3.463 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.260 -0.930 -2.088 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.072 0.394 -3.221 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.186 -1.392 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.955 -2.090 -1.838 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.559 -2.140 -1.067 1.00 0.00 H new ATOM 801 N TYR A 53 6.545 -1.696 -3.495 1.00 0.00 N ATOM 802 CA TYR A 53 7.636 -2.220 -2.617 1.00 0.00 C ATOM 803 C TYR A 53 7.544 -1.573 -1.238 1.00 0.00 C ATOM 804 O TYR A 53 7.801 -0.398 -1.061 1.00 0.00 O ATOM 805 CB TYR A 53 8.990 -1.893 -3.254 1.00 0.00 C ATOM 806 CG TYR A 53 9.139 -2.684 -4.534 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.408 -2.317 -5.672 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.010 -3.778 -4.587 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.548 -3.046 -6.859 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.149 -4.508 -5.772 1.00 0.00 C ATOM 811 CZ TYR A 53 9.419 -4.142 -6.909 1.00 0.00 C ATOM 812 OH TYR A 53 9.558 -4.861 -8.079 1.00 0.00 O ATOM 0 H TYR A 53 6.683 -0.739 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 53 7.533 -3.300 -2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.060 -0.825 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.798 -2.137 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.737 -1.472 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.576 -4.059 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.985 -2.763 -7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.819 -5.354 -5.810 1.00 0.00 H new ATOM 0 HH TYR A 53 10.201 -5.587 -7.942 1.00 0.00 H new ATOM 822 N LEU A 54 7.180 -2.355 -0.260 1.00 0.00 N ATOM 823 CA LEU A 54 7.055 -1.843 1.133 1.00 0.00 C ATOM 824 C LEU A 54 8.415 -1.883 1.812 1.00 0.00 C ATOM 825 O LEU A 54 8.969 -2.934 2.055 1.00 0.00 O ATOM 826 CB LEU A 54 6.072 -2.724 1.910 1.00 0.00 C ATOM 827 CG LEU A 54 4.698 -2.694 1.227 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.739 -3.631 1.971 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.136 -1.263 1.248 1.00 0.00 C ATOM 0 H LEU A 54 6.960 -3.345 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 54 6.689 -0.816 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.444 -3.748 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.986 -2.370 2.937 1.00 0.00 H new ATOM 0 HG LEU A 54 4.803 -3.023 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.762 -3.611 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.134 -4.647 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.638 -3.302 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.161 -1.248 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.032 -0.928 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.816 -0.597 0.717 1.00 0.00 H new ATOM 841 N ILE A 55 8.947 -0.731 2.124 1.00 0.00 N ATOM 842 CA ILE A 55 10.278 -0.656 2.795 1.00 0.00 C ATOM 843 C ILE A 55 10.104 -0.154 4.222 1.00 0.00 C ATOM 844 O ILE A 55 9.456 0.841 4.472 1.00 0.00 O ATOM 845 CB ILE A 55 11.188 0.299 2.010 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.363 -0.227 0.568 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.558 0.385 2.700 1.00 0.00 C ATOM 848 CD1 ILE A 55 12.477 -1.284 0.519 1.00 0.00 C ATOM 0 H ILE A 55 8.510 0.172 1.940 1.00 0.00 H new ATOM 0 HA ILE A 55 10.732 -1.647 2.821 1.00 0.00 H new ATOM 0 HB ILE A 55 10.737 1.291 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.427 -0.659 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.606 0.599 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.204 1.063 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.431 0.758 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.012 -0.605 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.590 -1.646 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.415 -0.840 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.217 -2.117 1.173 1.00 0.00 H new ATOM 860 N ASP A 56 10.680 -0.859 5.161 1.00 0.00 N ATOM 861 CA ASP A 56 10.569 -0.466 6.596 1.00 0.00 C ATOM 862 C ASP A 56 11.945 -0.563 7.257 1.00 0.00 C ATOM 863 O ASP A 56 12.634 0.423 7.429 1.00 0.00 O ATOM 864 CB ASP A 56 9.609 -1.419 7.311 1.00 0.00 C ATOM 865 CG ASP A 56 8.173 -1.141 6.863 1.00 0.00 C ATOM 866 OD1 ASP A 56 7.955 -0.113 6.244 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.317 -1.964 7.143 1.00 0.00 O ATOM 0 H ASP A 56 11.230 -1.701 4.991 1.00 0.00 H new ATOM 0 HA ASP A 56 10.196 0.556 6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.875 -2.452 7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.694 -1.293 8.390 1.00 0.00 H new ATOM 872 N ASP A 57 12.341 -1.753 7.638 1.00 0.00 N ATOM 873 CA ASP A 57 13.667 -1.942 8.307 1.00 0.00 C ATOM 874 C ASP A 57 14.265 -3.273 7.882 1.00 0.00 C ATOM 875 O ASP A 57 13.927 -4.305 8.422 1.00 0.00 O ATOM 876 CB ASP A 57 13.481 -1.934 9.828 1.00 0.00 C ATOM 877 CG ASP A 57 14.847 -2.015 10.514 1.00 0.00 C ATOM 878 OD1 ASP A 57 15.830 -2.183 9.813 1.00 0.00 O ATOM 879 OD2 ASP A 57 14.887 -1.912 11.729 1.00 0.00 O ATOM 0 H ASP A 57 11.799 -2.608 7.513 1.00 0.00 H new ATOM 0 HA ASP A 57 14.335 -1.131 8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.962 -1.027 10.136 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.859 -2.776 10.133 1.00 0.00 H new ATOM 884 N GLU A 58 15.156 -3.231 6.918 1.00 0.00 N ATOM 885 CA GLU A 58 15.828 -4.460 6.408 1.00 0.00 C ATOM 886 C GLU A 58 14.798 -5.372 5.745 1.00 0.00 C ATOM 887 O GLU A 58 15.034 -5.934 4.694 1.00 0.00 O ATOM 888 CB GLU A 58 16.507 -5.200 7.568 1.00 0.00 C ATOM 889 CG GLU A 58 17.647 -4.343 8.117 1.00 0.00 C ATOM 890 CD GLU A 58 18.257 -5.029 9.339 1.00 0.00 C ATOM 891 OE1 GLU A 58 17.783 -6.096 9.692 1.00 0.00 O ATOM 892 OE2 GLU A 58 19.186 -4.475 9.901 1.00 0.00 O ATOM 0 H GLU A 58 15.449 -2.371 6.455 1.00 0.00 H new ATOM 0 HA GLU A 58 16.583 -4.178 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.782 -5.409 8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.891 -6.161 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.408 -4.197 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.275 -3.355 8.389 1.00 0.00 H new ATOM 899 N GLY A 59 13.658 -5.514 6.360 1.00 0.00 N ATOM 900 CA GLY A 59 12.590 -6.380 5.806 1.00 0.00 C ATOM 901 C GLY A 59 11.722 -5.589 4.839 1.00 0.00 C ATOM 902 O GLY A 59 11.355 -4.458 5.091 1.00 0.00 O ATOM 0 H GLY A 59 13.420 -5.056 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.033 -7.234 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.977 -6.777 6.615 1.00 0.00 H new ATOM 906 N GLU A 60 11.388 -6.191 3.732 1.00 0.00 N ATOM 907 CA GLU A 60 10.539 -5.503 2.720 1.00 0.00 C ATOM 908 C GLU A 60 9.583 -6.503 2.074 1.00 0.00 C ATOM 909 O GLU A 60 9.914 -7.652 1.853 1.00 0.00 O ATOM 910 CB GLU A 60 11.433 -4.873 1.646 1.00 0.00 C ATOM 911 CG GLU A 60 12.245 -5.962 0.927 1.00 0.00 C ATOM 912 CD GLU A 60 13.180 -5.320 -0.105 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.060 -4.128 -0.327 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.998 -6.037 -0.657 1.00 0.00 O ATOM 0 H GLU A 60 11.670 -7.139 3.483 1.00 0.00 H new ATOM 0 HA GLU A 60 9.957 -4.723 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.821 -4.330 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.107 -4.148 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.826 -6.533 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.572 -6.664 0.434 1.00 0.00 H new ATOM 921 N ILE A 61 8.395 -6.052 1.767 1.00 0.00 N ATOM 922 CA ILE A 61 7.370 -6.930 1.123 1.00 0.00 C ATOM 923 C ILE A 61 6.975 -6.336 -0.226 1.00 0.00 C ATOM 924 O ILE A 61 6.723 -5.153 -0.351 1.00 0.00 O ATOM 925 CB ILE A 61 6.140 -7.029 2.025 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.523 -7.733 3.330 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.057 -7.837 1.309 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.384 -7.595 4.342 1.00 0.00 C ATOM 0 H ILE A 61 8.085 -5.095 1.938 1.00 0.00 H new ATOM 0 HA ILE A 61 7.784 -7.927 0.973 1.00 0.00 H new ATOM 0 HB ILE A 61 5.765 -6.030 2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.728 -8.786 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.437 -7.298 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.177 -7.911 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.788 -7.340 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.433 -8.837 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.659 -8.097 5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.200 -6.539 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.480 -8.051 3.937 1.00 0.00 H new ATOM 940 N ILE A 62 6.939 -7.158 -1.239 1.00 0.00 N ATOM 941 CA ILE A 62 6.587 -6.682 -2.611 1.00 0.00 C ATOM 942 C ILE A 62 5.190 -7.160 -2.980 1.00 0.00 C ATOM 943 O ILE A 62 4.847 -8.314 -2.818 1.00 0.00 O ATOM 944 CB ILE A 62 7.602 -7.242 -3.616 1.00 0.00 C ATOM 945 CG1 ILE A 62 8.996 -6.653 -3.326 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.175 -6.865 -5.034 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.655 -7.378 -2.144 1.00 0.00 C ATOM 0 H ILE A 62 7.142 -8.156 -1.175 1.00 0.00 H new ATOM 0 HA ILE A 62 6.610 -5.592 -2.634 1.00 0.00 H new ATOM 0 HB ILE A 62 7.642 -8.327 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.626 -6.743 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.908 -5.590 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.896 -7.262 -5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.190 -7.284 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.134 -5.780 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.638 -6.947 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.033 -7.266 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.762 -8.437 -2.380 1.00 0.00 H new ATOM 959 N THR A 63 4.385 -6.260 -3.482 1.00 0.00 N ATOM 960 CA THR A 63 2.988 -6.609 -3.883 1.00 0.00 C ATOM 961 C THR A 63 2.816 -6.380 -5.382 1.00 0.00 C ATOM 962 O THR A 63 3.012 -5.294 -5.890 1.00 0.00 O ATOM 963 CB THR A 63 2.001 -5.732 -3.107 1.00 0.00 C ATOM 964 OG1 THR A 63 2.132 -6.000 -1.717 1.00 0.00 O ATOM 965 CG2 THR A 63 0.575 -6.047 -3.558 1.00 0.00 C ATOM 0 H THR A 63 4.640 -5.284 -3.633 1.00 0.00 H new ATOM 0 HA THR A 63 2.793 -7.657 -3.656 1.00 0.00 H new ATOM 0 HB THR A 63 2.214 -4.680 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.231 -5.156 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.128 -5.423 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.478 -5.846 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.356 -7.097 -3.365 1.00 0.00 H new ATOM 973 N ARG A 64 2.439 -7.409 -6.083 1.00 0.00 N ATOM 974 CA ARG A 64 2.234 -7.307 -7.554 1.00 0.00 C ATOM 975 C ARG A 64 0.754 -7.050 -7.825 1.00 0.00 C ATOM 976 O ARG A 64 0.331 -6.935 -8.957 1.00 0.00 O ATOM 977 CB ARG A 64 2.668 -8.626 -8.206 1.00 0.00 C ATOM 978 CG ARG A 64 4.164 -8.869 -7.928 1.00 0.00 C ATOM 979 CD ARG A 64 5.017 -8.086 -8.935 1.00 0.00 C ATOM 980 NE ARG A 64 4.652 -8.507 -10.318 1.00 0.00 N ATOM 981 CZ ARG A 64 5.213 -9.555 -10.866 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.108 -10.248 -10.215 1.00 0.00 N ATOM 983 NH2 ARG A 64 4.867 -9.911 -12.072 1.00 0.00 N ATOM 0 H ARG A 64 2.261 -8.334 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 64 2.824 -6.490 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.075 -9.451 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.488 -8.589 -9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.409 -8.559 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.388 -9.933 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.854 -7.015 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.076 -8.270 -8.753 1.00 0.00 H new ATOM 0 HE ARG A 64 3.959 -7.973 -10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.376 -9.974 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.539 -11.063 -10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.164 -9.374 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.299 -10.726 -12.507 1.00 0.00 H new ATOM 997 N GLU A 65 -0.026 -6.944 -6.783 1.00 0.00 N ATOM 998 CA GLU A 65 -1.485 -6.680 -6.941 1.00 0.00 C ATOM 999 C GLU A 65 -1.740 -5.183 -6.794 1.00 0.00 C ATOM 1000 O GLU A 65 -2.301 -4.728 -5.816 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.257 -7.451 -5.863 1.00 0.00 C ATOM 1002 CG GLU A 65 -2.172 -8.962 -6.141 1.00 0.00 C ATOM 1003 CD GLU A 65 -0.845 -9.526 -5.619 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -0.025 -8.744 -5.165 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -0.674 -10.731 -5.686 1.00 0.00 O ATOM 0 H GLU A 65 0.290 -7.030 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.820 -7.008 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.845 -7.229 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.299 -7.132 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.006 -9.474 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.257 -9.147 -7.212 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.326 -4.417 -7.771 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.520 -2.935 -7.728 1.00 0.00 C ATOM 1014 C VAL A 66 -2.281 -2.478 -8.973 1.00 0.00 C ATOM 1015 O VAL A 66 -1.963 -2.848 -10.087 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.156 -2.244 -7.678 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.332 -0.737 -7.891 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.484 -2.494 -6.310 1.00 0.00 C ATOM 0 H VAL A 66 -0.855 -4.760 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.094 -2.671 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 66 0.484 -2.645 -8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.642 -0.248 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.792 -0.558 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.971 -0.331 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.457 -2.004 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.159 -2.091 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.611 -3.566 -6.158 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.282 -1.660 -8.776 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.092 -1.140 -9.920 1.00 0.00 C ATOM 1030 C LYS A 67 -4.304 0.368 -9.763 1.00 0.00 C ATOM 1031 O LYS A 67 -4.505 0.881 -8.676 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.449 -1.840 -9.953 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.251 -3.324 -10.273 1.00 0.00 C ATOM 1034 CD LYS A 67 -6.613 -4.025 -10.325 1.00 0.00 C ATOM 1035 CE LYS A 67 -6.420 -5.493 -10.710 1.00 0.00 C ATOM 1036 NZ LYS A 67 -5.909 -6.253 -9.534 1.00 0.00 N ATOM 0 H LYS A 67 -3.577 -1.325 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.559 -1.337 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.951 -1.728 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.090 -1.378 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.737 -3.435 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.620 -3.789 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.107 -3.955 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.260 -3.531 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.365 -5.918 -11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.719 -5.573 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.858 -7.265 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.961 -5.908 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.551 -6.117 -8.727 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.261 1.070 -10.862 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.447 2.547 -10.843 1.00 0.00 C ATOM 1052 C GLY A 68 -5.913 2.898 -10.649 1.00 0.00 C ATOM 1053 O GLY A 68 -6.796 2.249 -11.176 1.00 0.00 O ATOM 0 H GLY A 68 -4.102 0.674 -11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.853 2.984 -10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.085 2.977 -11.777 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.171 3.936 -9.895 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.571 4.370 -9.641 1.00 0.00 C ATOM 1059 C LYS A 69 -7.829 5.679 -10.372 1.00 0.00 C ATOM 1060 O LYS A 69 -7.183 6.682 -10.137 1.00 0.00 O ATOM 1061 CB LYS A 69 -7.777 4.559 -8.131 1.00 0.00 C ATOM 1062 CG LYS A 69 -9.251 4.335 -7.782 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.573 2.829 -7.791 1.00 0.00 C ATOM 1064 CE LYS A 69 -10.822 2.567 -6.962 1.00 0.00 C ATOM 1065 NZ LYS A 69 -11.298 1.178 -7.213 1.00 0.00 N ATOM 0 H LYS A 69 -5.459 4.507 -9.440 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.267 3.614 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.151 3.859 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.471 5.562 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.468 4.756 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.886 4.855 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.725 2.486 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.732 2.265 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.604 2.703 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.602 3.283 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.318 1.120 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.120 0.924 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.789 0.519 -6.591 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.783 5.662 -11.263 1.00 0.00 N ATOM 1080 CA PHE A 70 -9.124 6.881 -12.051 1.00 0.00 C ATOM 1081 C PHE A 70 -10.466 7.436 -11.589 1.00 0.00 C ATOM 1082 O PHE A 70 -11.474 6.758 -11.600 1.00 0.00 O ATOM 1083 CB PHE A 70 -9.216 6.514 -13.532 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.889 5.966 -14.002 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.876 6.841 -14.413 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.671 4.583 -14.031 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -5.647 6.333 -14.849 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -6.443 4.075 -14.467 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.430 4.950 -14.876 1.00 0.00 C ATOM 0 H PHE A 70 -9.349 4.842 -11.481 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.350 7.634 -11.902 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.001 5.774 -13.685 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.486 7.392 -14.118 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.043 7.908 -14.394 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.453 3.907 -13.716 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.865 7.008 -15.165 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.276 3.008 -14.488 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.481 4.559 -15.212 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.470 8.679 -11.199 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.722 9.346 -10.735 1.00 0.00 C ATOM 1101 C ILE A 71 -12.095 10.456 -11.714 1.00 0.00 C ATOM 1102 O ILE A 71 -11.250 11.176 -12.214 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.507 9.941 -9.344 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.210 8.810 -8.350 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.774 10.682 -8.911 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -10.829 9.397 -6.985 1.00 0.00 C ATOM 0 H ILE A 71 -9.642 9.274 -11.181 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.527 8.613 -10.689 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.668 10.636 -9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.084 8.167 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.398 8.188 -8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.625 11.108 -7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.989 11.481 -9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.612 9.985 -8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.620 8.587 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.942 10.022 -7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.654 10.000 -6.605 1.00 0.00 H new ATOM 1118 N ASN A 72 -13.363 10.571 -11.995 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.870 11.602 -12.944 1.00 0.00 C ATOM 1120 C ASN A 72 -13.246 11.391 -14.322 1.00 0.00 C ATOM 1121 O ASN A 72 -13.037 12.325 -15.075 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.551 13.009 -12.423 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.397 13.302 -11.179 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.325 12.460 -10.815 1.00 0.00 O flip ATOM 1125 ND2 ASN A 72 -14.199 14.305 -10.523 1.00 0.00 N flip ATOM 0 H ASN A 72 -14.089 9.976 -11.595 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.952 11.503 -13.028 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.491 13.086 -12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.756 13.749 -13.197 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.474 14.964 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.758 14.488 -9.689 1.00 0.00 H new ATOM 1132 N GLY A 73 -12.977 10.158 -14.665 1.00 0.00 N ATOM 1133 CA GLY A 73 -12.392 9.845 -16.001 1.00 0.00 C ATOM 1134 C GLY A 73 -11.001 10.448 -16.111 1.00 0.00 C ATOM 1135 O GLY A 73 -10.555 10.821 -17.181 1.00 0.00 O ATOM 0 H GLY A 73 -13.140 9.346 -14.069 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.342 8.765 -16.142 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.032 10.240 -16.790 1.00 0.00 H new ATOM 1139 N ARG A 74 -10.304 10.538 -15.009 1.00 0.00 N ATOM 1140 CA ARG A 74 -8.934 11.104 -15.043 1.00 0.00 C ATOM 1141 C ARG A 74 -8.146 10.634 -13.808 1.00 0.00 C ATOM 1142 O ARG A 74 -8.719 10.369 -12.765 1.00 0.00 O ATOM 1143 CB ARG A 74 -9.000 12.632 -15.039 1.00 0.00 C ATOM 1144 CG ARG A 74 -9.912 13.112 -13.910 1.00 0.00 C ATOM 1145 CD ARG A 74 -10.007 14.639 -13.953 1.00 0.00 C ATOM 1146 NE ARG A 74 -10.578 15.147 -12.672 1.00 0.00 N ATOM 1147 CZ ARG A 74 -9.878 15.101 -11.566 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -8.671 14.603 -11.560 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -10.394 15.563 -10.459 1.00 0.00 N ATOM 0 H ARG A 74 -10.629 10.242 -14.089 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.436 10.762 -15.950 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.000 13.047 -14.912 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.374 12.991 -15.998 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.903 12.671 -14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.519 12.787 -12.946 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.019 15.069 -14.117 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.633 14.950 -14.789 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.522 15.534 -12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.263 14.244 -12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.136 14.573 -10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.335 15.956 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.856 15.531 -9.593 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.839 10.540 -13.915 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.969 10.123 -12.773 1.00 0.00 C ATOM 1165 C PRO A 75 -6.242 10.939 -11.510 1.00 0.00 C ATOM 1166 O PRO A 75 -6.484 12.129 -11.564 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.539 10.370 -13.288 1.00 0.00 C ATOM 1168 CG PRO A 75 -4.642 10.357 -14.780 1.00 0.00 C ATOM 1169 CD PRO A 75 -6.049 10.831 -15.126 1.00 0.00 C ATOM 0 HA PRO A 75 -6.148 9.087 -12.484 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.153 11.324 -12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.856 9.597 -12.935 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.893 11.011 -15.225 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.464 9.355 -15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.063 11.895 -15.364 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.444 10.304 -15.995 1.00 0.00 H new ATOM 1177 N THR A 76 -6.215 10.300 -10.374 1.00 0.00 N ATOM 1178 CA THR A 76 -6.484 11.015 -9.101 1.00 0.00 C ATOM 1179 C THR A 76 -5.958 10.192 -7.920 1.00 0.00 C ATOM 1180 O THR A 76 -5.488 10.733 -6.939 1.00 0.00 O ATOM 1181 CB THR A 76 -7.991 11.214 -8.951 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.533 11.642 -10.192 1.00 0.00 O ATOM 1183 CG2 THR A 76 -8.269 12.263 -7.876 1.00 0.00 C ATOM 0 H THR A 76 -6.016 9.304 -10.275 1.00 0.00 H new ATOM 0 HA THR A 76 -5.981 11.982 -9.113 1.00 0.00 H new ATOM 0 HB THR A 76 -8.455 10.273 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.880 12.206 -10.657 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.345 12.402 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.853 11.929 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.807 13.208 -8.162 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.048 8.885 -7.999 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.565 8.035 -6.869 1.00 0.00 C ATOM 1193 C ALA A 77 -5.168 6.646 -7.369 1.00 0.00 C ATOM 1194 O ALA A 77 -5.402 6.280 -8.503 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.681 7.889 -5.827 1.00 0.00 C ATOM 0 H ALA A 77 -6.433 8.374 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.693 8.514 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.330 7.269 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.957 8.873 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.550 7.421 -6.288 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.565 5.878 -6.501 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.133 4.494 -6.858 1.00 0.00 C ATOM 1203 C ILE A 78 -4.548 3.532 -5.746 1.00 0.00 C ATOM 1204 O ILE A 78 -4.266 3.745 -4.581 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.614 4.459 -7.042 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.234 5.335 -8.239 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.161 3.022 -7.298 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.718 5.532 -8.273 1.00 0.00 C ATOM 0 H ILE A 78 -4.350 6.156 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.609 4.192 -7.791 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.128 4.834 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.571 4.868 -9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.734 6.301 -8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.079 2.999 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.437 2.397 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.643 2.644 -8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.451 6.156 -9.126 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.393 6.018 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.227 4.563 -8.364 1.00 0.00 H new ATOM 1220 N GLU A 79 -5.222 2.473 -6.110 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.689 1.468 -5.108 1.00 0.00 C ATOM 1222 C GLU A 79 -4.883 0.178 -5.267 1.00 0.00 C ATOM 1223 O GLU A 79 -4.522 -0.218 -6.358 1.00 0.00 O ATOM 1224 CB GLU A 79 -7.177 1.181 -5.348 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.690 0.190 -4.297 1.00 0.00 C ATOM 1226 CD GLU A 79 -9.190 -0.063 -4.494 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -9.707 0.294 -5.542 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -9.797 -0.620 -3.593 1.00 0.00 O ATOM 0 H GLU A 79 -5.473 2.258 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.548 1.856 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.748 2.108 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.321 0.772 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.142 -0.749 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.509 0.583 -3.297 1.00 0.00 H new ATOM 1235 N ALA A 80 -4.597 -0.474 -4.171 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.810 -1.741 -4.218 1.00 0.00 C ATOM 1237 C ALA A 80 -4.234 -2.658 -3.076 1.00 0.00 C ATOM 1238 O ALA A 80 -4.621 -2.211 -2.015 1.00 0.00 O ATOM 1239 CB ALA A 80 -2.321 -1.424 -4.086 1.00 0.00 C ATOM 0 H ALA A 80 -4.878 -0.179 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.995 -2.240 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.747 -2.350 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.013 -0.776 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.139 -0.920 -3.137 1.00 0.00 H new ATOM 1245 N THR A 81 -4.158 -3.947 -3.298 1.00 0.00 N ATOM 1246 CA THR A 81 -4.552 -4.936 -2.248 1.00 0.00 C ATOM 1247 C THR A 81 -3.380 -5.868 -1.946 1.00 0.00 C ATOM 1248 O THR A 81 -2.788 -6.456 -2.830 1.00 0.00 O ATOM 1249 CB THR A 81 -5.746 -5.761 -2.738 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.768 -4.886 -3.197 1.00 0.00 O ATOM 1251 CG2 THR A 81 -6.287 -6.599 -1.577 1.00 0.00 C ATOM 0 H THR A 81 -3.836 -4.361 -4.173 1.00 0.00 H new ATOM 0 HA THR A 81 -4.829 -4.400 -1.340 1.00 0.00 H new ATOM 0 HB THR A 81 -5.431 -6.414 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.532 -5.412 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.137 -7.189 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.505 -7.266 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.604 -5.940 -0.769 1.00 0.00 H new ATOM 1259 N VAL A 82 -3.060 -6.011 -0.686 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.936 -6.905 -0.272 1.00 0.00 C ATOM 1261 C VAL A 82 -2.507 -8.205 0.295 1.00 0.00 C ATOM 1262 O VAL A 82 -3.131 -8.232 1.338 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.093 -6.200 0.791 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.070 -7.106 1.195 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.544 -4.893 0.210 1.00 0.00 C ATOM 0 H VAL A 82 -3.536 -5.540 0.084 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.309 -7.133 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.706 -5.983 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.674 -6.607 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.320 -8.040 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.687 -7.318 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.058 -4.385 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.074 -5.113 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.373 -4.250 -0.086 1.00 0.00 H new ATOM 1275 N ILE A 83 -2.288 -9.279 -0.407 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.800 -10.605 0.035 1.00 0.00 C ATOM 1277 C ILE A 83 -1.843 -11.213 1.062 1.00 0.00 C ATOM 1278 O ILE A 83 -0.657 -11.324 0.835 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.922 -11.528 -1.189 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -4.167 -11.138 -1.999 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -3.056 -12.986 -0.736 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.114 -9.652 -2.359 1.00 0.00 C ATOM 0 H ILE A 83 -1.767 -9.295 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.779 -10.487 0.499 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.029 -11.422 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.223 -11.739 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.067 -11.349 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.142 -13.632 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.176 -13.270 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.946 -13.094 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.001 -9.385 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.080 -9.057 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.223 -9.453 -2.954 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.376 -11.622 2.183 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.543 -12.249 3.257 1.00 0.00 C ATOM 1296 C LEU A 84 -2.028 -13.682 3.488 1.00 0.00 C ATOM 1297 O LEU A 84 -2.483 -14.034 4.558 1.00 0.00 O ATOM 1298 CB LEU A 84 -1.684 -11.430 4.544 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.286 -9.973 4.272 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -1.480 -9.144 5.544 1.00 0.00 C ATOM 1301 CD2 LEU A 84 0.187 -9.909 3.839 1.00 0.00 C ATOM 0 H LEU A 84 -3.369 -11.548 2.405 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.494 -12.268 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.711 -11.476 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.052 -11.851 5.326 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.913 -9.572 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.197 -8.109 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.526 -9.184 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.855 -9.548 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.465 -8.873 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.817 -10.313 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.325 -10.496 2.931 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.917 -14.510 2.482 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.352 -15.932 2.606 1.00 0.00 C ATOM 1315 C ASN A 85 -1.459 -16.655 3.622 1.00 0.00 C ATOM 1316 O ASN A 85 -1.922 -17.477 4.391 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.234 -16.624 1.240 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.296 -16.071 0.281 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -4.266 -15.332 0.743 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -3.235 -16.312 -0.910 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.539 -14.258 1.569 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.388 -15.966 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.239 -16.463 0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.361 -17.700 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.478 -16.890 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.941 -15.936 -1.543 1.00 0.00 H new ATOM 1327 N SER A 86 -0.182 -16.363 3.621 1.00 0.00 N ATOM 1328 CA SER A 86 0.756 -17.036 4.570 1.00 0.00 C ATOM 1329 C SER A 86 0.369 -16.715 6.010 1.00 0.00 C ATOM 1330 O SER A 86 -0.148 -15.658 6.311 1.00 0.00 O ATOM 1331 CB SER A 86 2.190 -16.554 4.315 1.00 0.00 C ATOM 1332 OG SER A 86 2.951 -16.683 5.511 1.00 0.00 O ATOM 0 H SER A 86 0.253 -15.682 2.999 1.00 0.00 H new ATOM 0 HA SER A 86 0.697 -18.113 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.646 -17.139 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.183 -15.515 3.985 1.00 0.00 H new ATOM 0 HG SER A 86 3.899 -16.531 5.314 1.00 0.00 H new ATOM 1338 N GLN A 87 0.616 -17.637 6.893 1.00 0.00 N ATOM 1339 CA GLN A 87 0.270 -17.434 8.329 1.00 0.00 C ATOM 1340 C GLN A 87 1.288 -16.502 9.000 1.00 0.00 C ATOM 1341 O GLN A 87 0.928 -15.440 9.475 1.00 0.00 O ATOM 1342 CB GLN A 87 0.255 -18.805 9.046 1.00 0.00 C ATOM 1343 CG GLN A 87 -1.186 -19.291 9.210 1.00 0.00 C ATOM 1344 CD GLN A 87 -1.881 -19.306 7.848 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -2.767 -18.513 7.595 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -1.516 -20.180 6.951 1.00 0.00 N ATOM 0 H GLN A 87 1.049 -18.536 6.681 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.715 -16.973 8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.830 -19.532 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.733 -18.720 10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.196 -20.290 9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.725 -18.638 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.773 -20.846 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.974 -20.197 6.040 1.00 0.00 H new ATOM 1355 N PRO A 88 2.543 -16.889 9.060 1.00 0.00 N ATOM 1356 CA PRO A 88 3.599 -16.058 9.712 1.00 0.00 C ATOM 1357 C PRO A 88 3.687 -14.667 9.082 1.00 0.00 C ATOM 1358 O PRO A 88 4.101 -13.713 9.709 1.00 0.00 O ATOM 1359 CB PRO A 88 4.909 -16.850 9.477 1.00 0.00 C ATOM 1360 CG PRO A 88 4.589 -17.853 8.409 1.00 0.00 C ATOM 1361 CD PRO A 88 3.096 -18.146 8.527 1.00 0.00 C ATOM 0 HA PRO A 88 3.391 -15.891 10.769 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.716 -16.188 9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.238 -17.343 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.831 -17.460 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.175 -18.762 8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.659 -18.400 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.903 -18.985 9.195 1.00 0.00 H new ATOM 1369 N GLU A 89 3.307 -14.562 7.839 1.00 0.00 N ATOM 1370 CA GLU A 89 3.365 -13.256 7.132 1.00 0.00 C ATOM 1371 C GLU A 89 2.355 -12.290 7.752 1.00 0.00 C ATOM 1372 O GLU A 89 2.593 -11.101 7.835 1.00 0.00 O ATOM 1373 CB GLU A 89 3.026 -13.468 5.652 1.00 0.00 C ATOM 1374 CG GLU A 89 3.244 -12.164 4.881 1.00 0.00 C ATOM 1375 CD GLU A 89 4.742 -11.856 4.801 1.00 0.00 C ATOM 1376 OE1 GLU A 89 5.527 -12.704 5.195 1.00 0.00 O ATOM 1377 OE2 GLU A 89 5.080 -10.775 4.349 1.00 0.00 O ATOM 0 H GLU A 89 2.954 -15.337 7.277 1.00 0.00 H new ATOM 0 HA GLU A 89 4.367 -12.837 7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.652 -14.257 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.991 -13.794 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.826 -12.249 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.721 -11.346 5.376 1.00 0.00 H new ATOM 1384 N TRP A 90 1.228 -12.790 8.175 1.00 0.00 N ATOM 1385 CA TRP A 90 0.193 -11.906 8.783 1.00 0.00 C ATOM 1386 C TRP A 90 0.754 -11.252 10.047 1.00 0.00 C ATOM 1387 O TRP A 90 0.570 -10.074 10.282 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.053 -12.756 9.145 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.215 -12.328 8.311 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.874 -13.109 7.431 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.849 -11.019 8.261 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.879 -12.363 6.842 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.904 -11.069 7.322 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.615 -9.805 8.933 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -4.699 -9.952 7.059 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -3.412 -8.680 8.670 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -4.452 -8.754 7.734 1.00 0.00 C ATOM 0 H TRP A 90 0.977 -13.778 8.126 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.088 -11.128 8.073 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.844 -13.813 8.980 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.290 -12.639 10.203 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.654 -14.145 7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.523 -12.725 6.139 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.816 -9.738 9.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.501 -10.014 6.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.223 -7.753 9.191 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.062 -7.886 7.534 1.00 0.00 H new ATOM 1408 N ASP A 91 1.411 -12.027 10.864 1.00 0.00 N ATOM 1409 CA ASP A 91 1.975 -11.489 12.133 1.00 0.00 C ATOM 1410 C ASP A 91 3.008 -10.406 11.829 1.00 0.00 C ATOM 1411 O ASP A 91 2.991 -9.340 12.409 1.00 0.00 O ATOM 1412 CB ASP A 91 2.661 -12.627 12.898 1.00 0.00 C ATOM 1413 CG ASP A 91 1.610 -13.563 13.499 1.00 0.00 C ATOM 1414 OD1 ASP A 91 0.456 -13.174 13.543 1.00 0.00 O ATOM 1415 OD2 ASP A 91 1.980 -14.651 13.908 1.00 0.00 O ATOM 0 H ASP A 91 1.583 -13.020 10.705 1.00 0.00 H new ATOM 0 HA ASP A 91 1.169 -11.062 12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.315 -13.184 12.227 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.290 -12.217 13.689 1.00 0.00 H new ATOM 1420 N ARG A 92 3.909 -10.678 10.924 1.00 0.00 N ATOM 1421 CA ARG A 92 4.960 -9.681 10.571 1.00 0.00 C ATOM 1422 C ARG A 92 4.320 -8.447 9.937 1.00 0.00 C ATOM 1423 O ARG A 92 4.695 -7.325 10.218 1.00 0.00 O ATOM 1424 CB ARG A 92 5.945 -10.311 9.578 1.00 0.00 C ATOM 1425 CG ARG A 92 7.059 -9.311 9.262 1.00 0.00 C ATOM 1426 CD ARG A 92 8.138 -9.977 8.396 1.00 0.00 C ATOM 1427 NE ARG A 92 7.565 -10.336 7.066 1.00 0.00 N ATOM 1428 CZ ARG A 92 8.281 -11.000 6.190 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.512 -11.348 6.460 1.00 0.00 N ATOM 1430 NH2 ARG A 92 7.763 -11.303 5.030 1.00 0.00 N ATOM 0 H ARG A 92 3.962 -11.557 10.409 1.00 0.00 H new ATOM 0 HA ARG A 92 5.488 -9.383 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.369 -11.223 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.425 -10.594 8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.646 -8.447 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.501 -8.943 10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.984 -9.301 8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.516 -10.870 8.893 1.00 0.00 H new ATOM 0 HE ARG A 92 6.609 -10.063 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.925 -11.103 7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.059 -11.864 5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.807 -11.023 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.314 -11.819 4.344 1.00 0.00 H new ATOM 1444 N PHE A 93 3.365 -8.655 9.073 1.00 0.00 N ATOM 1445 CA PHE A 93 2.695 -7.512 8.391 1.00 0.00 C ATOM 1446 C PHE A 93 2.006 -6.623 9.428 1.00 0.00 C ATOM 1447 O PHE A 93 2.053 -5.410 9.352 1.00 0.00 O ATOM 1448 CB PHE A 93 1.648 -8.045 7.405 1.00 0.00 C ATOM 1449 CG PHE A 93 1.161 -6.916 6.527 1.00 0.00 C ATOM 1450 CD1 PHE A 93 1.928 -6.513 5.427 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.052 -6.273 6.810 1.00 0.00 C ATOM 1452 CE1 PHE A 93 1.484 -5.467 4.609 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -0.495 -5.226 5.990 1.00 0.00 C ATOM 1454 CZ PHE A 93 0.273 -4.823 4.890 1.00 0.00 C ATOM 0 H PHE A 93 3.017 -9.576 8.808 1.00 0.00 H new ATOM 0 HA PHE A 93 3.442 -6.929 7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.080 -8.836 6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.811 -8.484 7.949 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.862 -7.009 5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.644 -6.584 7.658 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.076 -5.157 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.429 -4.730 6.207 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.069 -4.016 4.259 1.00 0.00 H new ATOM 1464 N MET A 94 1.350 -7.224 10.383 1.00 0.00 N ATOM 1465 CA MET A 94 0.633 -6.436 11.422 1.00 0.00 C ATOM 1466 C MET A 94 1.634 -5.597 12.217 1.00 0.00 C ATOM 1467 O MET A 94 1.364 -4.466 12.579 1.00 0.00 O ATOM 1468 CB MET A 94 -0.093 -7.393 12.378 1.00 0.00 C ATOM 1469 CG MET A 94 -0.909 -6.591 13.397 1.00 0.00 C ATOM 1470 SD MET A 94 -2.223 -5.685 12.533 1.00 0.00 S ATOM 1471 CE MET A 94 -3.625 -6.354 13.454 1.00 0.00 C ATOM 0 H MET A 94 1.280 -8.236 10.487 1.00 0.00 H new ATOM 0 HA MET A 94 -0.089 -5.778 10.938 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.749 -8.056 11.814 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.631 -8.024 12.894 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.341 -7.260 14.141 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.262 -5.895 13.931 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.550 -5.920 13.075 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.656 -7.437 13.333 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.516 -6.110 14.511 1.00 0.00 H new ATOM 1481 N ARG A 95 2.780 -6.154 12.503 1.00 0.00 N ATOM 1482 CA ARG A 95 3.810 -5.417 13.292 1.00 0.00 C ATOM 1483 C ARG A 95 4.213 -4.137 12.563 1.00 0.00 C ATOM 1484 O ARG A 95 4.303 -3.078 13.152 1.00 0.00 O ATOM 1485 CB ARG A 95 5.049 -6.305 13.452 1.00 0.00 C ATOM 1486 CG ARG A 95 4.756 -7.435 14.438 1.00 0.00 C ATOM 1487 CD ARG A 95 5.987 -8.342 14.559 1.00 0.00 C ATOM 1488 NE ARG A 95 5.706 -9.428 15.544 1.00 0.00 N ATOM 1489 CZ ARG A 95 6.592 -10.366 15.771 1.00 0.00 C ATOM 1490 NH1 ARG A 95 7.744 -10.361 15.151 1.00 0.00 N ATOM 1491 NH2 ARG A 95 6.320 -11.313 16.625 1.00 0.00 N ATOM 0 H ARG A 95 3.049 -7.097 12.221 1.00 0.00 H new ATOM 0 HA ARG A 95 3.397 -5.163 14.268 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.337 -6.719 12.486 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.890 -5.710 13.807 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.498 -7.023 15.413 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.897 -8.014 14.099 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.233 -8.771 13.588 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.851 -7.760 14.879 1.00 0.00 H new ATOM 0 HE ARG A 95 4.817 -9.440 16.044 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.960 -9.621 14.483 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.426 -11.097 15.336 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.423 -11.320 17.110 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.004 -12.047 16.808 1.00 0.00 H new ATOM 1505 N PHE A 96 4.454 -4.235 11.284 1.00 0.00 N ATOM 1506 CA PHE A 96 4.851 -3.036 10.492 1.00 0.00 C ATOM 1507 C PHE A 96 3.667 -2.075 10.388 1.00 0.00 C ATOM 1508 O PHE A 96 3.824 -0.870 10.422 1.00 0.00 O ATOM 1509 CB PHE A 96 5.282 -3.470 9.082 1.00 0.00 C ATOM 1510 CG PHE A 96 6.685 -4.045 9.120 1.00 0.00 C ATOM 1511 CD1 PHE A 96 7.769 -3.227 9.479 1.00 0.00 C ATOM 1512 CD2 PHE A 96 6.908 -5.389 8.790 1.00 0.00 C ATOM 1513 CE1 PHE A 96 9.066 -3.755 9.508 1.00 0.00 C ATOM 1514 CE2 PHE A 96 8.206 -5.912 8.819 1.00 0.00 C ATOM 1515 CZ PHE A 96 9.284 -5.096 9.177 1.00 0.00 C ATOM 0 H PHE A 96 4.392 -5.102 10.750 1.00 0.00 H new ATOM 0 HA PHE A 96 5.682 -2.535 10.988 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.586 -4.214 8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.248 -2.617 8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.602 -2.191 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.078 -6.022 8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 96 9.899 -3.126 9.786 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.375 -6.948 8.564 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.285 -5.502 9.198 1.00 0.00 H new ATOM 1525 N MET A 97 2.486 -2.611 10.249 1.00 0.00 N ATOM 1526 CA MET A 97 1.271 -1.759 10.129 1.00 0.00 C ATOM 1527 C MET A 97 1.068 -0.984 11.430 1.00 0.00 C ATOM 1528 O MET A 97 0.692 0.173 11.424 1.00 0.00 O ATOM 1529 CB MET A 97 0.051 -2.657 9.878 1.00 0.00 C ATOM 1530 CG MET A 97 0.058 -3.148 8.427 1.00 0.00 C ATOM 1531 SD MET A 97 -0.267 -1.750 7.316 1.00 0.00 S ATOM 1532 CE MET A 97 1.315 -1.768 6.437 1.00 0.00 C ATOM 0 H MET A 97 2.310 -3.615 10.213 1.00 0.00 H new ATOM 0 HA MET A 97 1.391 -1.060 9.302 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.068 -3.508 10.559 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.867 -2.104 10.080 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.021 -3.600 8.189 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.699 -3.920 8.289 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.181 -1.352 5.439 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.043 -1.170 6.985 1.00 0.00 H new ATOM 0 HE3 MET A 97 1.675 -2.794 6.357 1.00 0.00 H new ATOM 1542 N GLU A 98 1.304 -1.622 12.544 1.00 0.00 N ATOM 1543 CA GLU A 98 1.118 -0.945 13.857 1.00 0.00 C ATOM 1544 C GLU A 98 2.124 0.200 13.999 1.00 0.00 C ATOM 1545 O GLU A 98 1.783 1.292 14.410 1.00 0.00 O ATOM 1546 CB GLU A 98 1.354 -1.959 14.984 1.00 0.00 C ATOM 1547 CG GLU A 98 0.955 -1.336 16.324 1.00 0.00 C ATOM 1548 CD GLU A 98 -0.566 -1.183 16.383 1.00 0.00 C ATOM 1549 OE1 GLU A 98 -1.230 -1.690 15.493 1.00 0.00 O ATOM 1550 OE2 GLU A 98 -1.043 -0.563 17.319 1.00 0.00 O ATOM 0 H GLU A 98 1.620 -2.590 12.600 1.00 0.00 H new ATOM 0 HA GLU A 98 0.105 -0.547 13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.771 -2.862 14.803 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.403 -2.256 15.007 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.300 -1.963 17.146 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.434 -0.364 16.442 1.00 0.00 H new ATOM 1557 N ARG A 99 3.364 -0.051 13.675 1.00 0.00 N ATOM 1558 CA ARG A 99 4.409 1.001 13.800 1.00 0.00 C ATOM 1559 C ARG A 99 4.155 2.126 12.796 1.00 0.00 C ATOM 1560 O ARG A 99 4.301 3.293 13.107 1.00 0.00 O ATOM 1561 CB ARG A 99 5.785 0.388 13.515 1.00 0.00 C ATOM 1562 CG ARG A 99 6.891 1.369 13.937 1.00 0.00 C ATOM 1563 CD ARG A 99 7.221 1.161 15.424 1.00 0.00 C ATOM 1564 NE ARG A 99 8.245 2.155 15.850 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.663 2.186 17.091 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.191 1.345 17.975 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.561 3.062 17.445 1.00 0.00 N ATOM 0 H ARG A 99 3.699 -0.949 13.326 1.00 0.00 H new ATOM 0 HA ARG A 99 4.377 1.406 14.811 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.894 -0.552 14.057 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.877 0.157 12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.783 1.211 13.330 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.566 2.395 13.766 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.319 1.271 16.026 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.591 0.149 15.587 1.00 0.00 H new ATOM 0 HE ARG A 99 8.623 2.816 15.171 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.490 0.656 17.701 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.524 1.378 18.939 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.933 3.717 16.758 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.891 3.092 18.410 1.00 0.00 H new ATOM 1581 N TYR A 100 3.792 1.781 11.594 1.00 0.00 N ATOM 1582 CA TYR A 100 3.537 2.815 10.554 1.00 0.00 C ATOM 1583 C TYR A 100 2.385 3.721 10.988 1.00 0.00 C ATOM 1584 O TYR A 100 2.454 4.927 10.870 1.00 0.00 O ATOM 1585 CB TYR A 100 3.175 2.119 9.234 1.00 0.00 C ATOM 1586 CG TYR A 100 2.672 3.133 8.232 1.00 0.00 C ATOM 1587 CD1 TYR A 100 3.575 3.824 7.416 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.298 3.383 8.125 1.00 0.00 C ATOM 1589 CE1 TYR A 100 3.103 4.764 6.491 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.827 4.321 7.200 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.728 5.011 6.386 1.00 0.00 C ATOM 1592 OH TYR A 100 1.262 5.937 5.478 1.00 0.00 O ATOM 0 H TYR A 100 3.660 0.818 11.284 1.00 0.00 H new ATOM 0 HA TYR A 100 4.432 3.422 10.419 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.048 1.604 8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.411 1.362 9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.635 3.633 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.602 2.851 8.757 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.798 5.298 5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.233 4.511 7.115 1.00 0.00 H new ATOM 0 HH TYR A 100 0.285 5.986 5.533 1.00 0.00 H new ATOM 1602 N GLY A 101 1.319 3.142 11.467 1.00 0.00 N ATOM 1603 CA GLY A 101 0.141 3.949 11.890 1.00 0.00 C ATOM 1604 C GLY A 101 0.508 4.867 13.056 1.00 0.00 C ATOM 1605 O GLY A 101 0.022 5.977 13.155 1.00 0.00 O ATOM 0 H GLY A 101 1.213 2.134 11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.219 4.544 11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.674 3.287 12.184 1.00 0.00 H new ATOM 1609 N ALA A 102 1.353 4.414 13.945 1.00 0.00 N ATOM 1610 CA ALA A 102 1.741 5.266 15.108 1.00 0.00 C ATOM 1611 C ALA A 102 2.445 6.516 14.595 1.00 0.00 C ATOM 1612 O ALA A 102 2.119 7.626 14.969 1.00 0.00 O ATOM 1613 CB ALA A 102 2.696 4.491 16.024 1.00 0.00 C ATOM 0 H ALA A 102 1.790 3.493 13.916 1.00 0.00 H new ATOM 0 HA ALA A 102 0.848 5.543 15.669 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.976 5.117 16.871 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.201 3.590 16.387 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.591 4.214 15.466 1.00 0.00 H new ATOM 1619 N GLU A 103 3.406 6.334 13.732 1.00 0.00 N ATOM 1620 CA GLU A 103 4.145 7.494 13.165 1.00 0.00 C ATOM 1621 C GLU A 103 3.224 8.244 12.205 1.00 0.00 C ATOM 1622 O GLU A 103 3.171 9.458 12.194 1.00 0.00 O ATOM 1623 CB GLU A 103 5.371 6.987 12.389 1.00 0.00 C ATOM 1624 CG GLU A 103 6.384 6.377 13.363 1.00 0.00 C ATOM 1625 CD GLU A 103 7.571 5.789 12.591 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.546 5.836 11.372 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.485 5.299 13.236 1.00 0.00 O ATOM 0 H GLU A 103 3.713 5.422 13.393 1.00 0.00 H new ATOM 0 HA GLU A 103 4.468 8.155 13.969 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.065 6.243 11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.830 7.808 11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.735 7.139 14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.905 5.599 13.957 1.00 0.00 H new ATOM 1634 N ASN A 104 2.501 7.510 11.398 1.00 0.00 N ATOM 1635 CA ASN A 104 1.573 8.135 10.406 1.00 0.00 C ATOM 1636 C ASN A 104 0.272 8.532 11.105 1.00 0.00 C ATOM 1637 O ASN A 104 0.024 9.691 11.367 1.00 0.00 O ATOM 1638 CB ASN A 104 1.260 7.132 9.280 1.00 0.00 C ATOM 1639 CG ASN A 104 2.527 6.837 8.470 1.00 0.00 C ATOM 1640 OD1 ASN A 104 2.732 7.474 7.347 1.00 0.00 O flip ATOM 1641 ND2 ASN A 104 3.331 6.012 8.853 1.00 0.00 N flip ATOM 0 H ASN A 104 2.514 6.490 11.384 1.00 0.00 H new ATOM 0 HA ASN A 104 2.047 9.020 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.867 6.208 9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 104 0.487 7.537 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.173 5.514 9.729 1.00 0.00 H new ATOM 0 HD22 ASN A 104 4.165 5.817 8.299 1.00 0.00 H new ATOM 1648 N GLY A 105 -0.566 7.568 11.393 1.00 0.00 N ATOM 1649 CA GLY A 105 -1.866 7.863 12.065 1.00 0.00 C ATOM 1650 C GLY A 105 -2.951 8.061 11.005 1.00 0.00 C ATOM 1651 O GLY A 105 -3.731 8.986 11.072 1.00 0.00 O ATOM 0 H GLY A 105 -0.403 6.582 11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.138 7.044 12.731 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.775 8.758 12.680 1.00 0.00 H new ATOM 1655 N LEU A 106 -3.001 7.180 10.037 1.00 0.00 N ATOM 1656 CA LEU A 106 -4.024 7.271 8.955 1.00 0.00 C ATOM 1657 C LEU A 106 -4.200 8.715 8.515 1.00 0.00 C ATOM 1658 O LEU A 106 -4.907 9.484 9.132 1.00 0.00 O ATOM 1659 CB LEU A 106 -5.354 6.713 9.467 1.00 0.00 C ATOM 1660 CG LEU A 106 -5.282 5.180 9.552 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -5.161 4.563 8.143 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -4.077 4.759 10.403 1.00 0.00 C ATOM 0 H LEU A 106 -2.364 6.388 9.951 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.691 6.687 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.579 7.130 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.164 7.011 8.801 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.199 4.817 10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.111 3.477 8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.030 4.843 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.256 4.932 7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.033 3.671 10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.161 5.137 9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.180 5.170 11.407 1.00 0.00 H new ATOM 1674 N GLY A 107 -3.556 9.078 7.436 1.00 0.00 N ATOM 1675 CA GLY A 107 -3.655 10.475 6.919 1.00 0.00 C ATOM 1676 C GLY A 107 -5.086 10.994 7.054 1.00 0.00 C ATOM 1677 O GLY A 107 -5.955 10.684 6.262 1.00 0.00 O ATOM 0 H GLY A 107 -2.960 8.460 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.973 11.123 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.348 10.505 5.874 1.00 0.00 H new ATOM 1681 N PHE A 108 -5.325 11.789 8.067 1.00 0.00 N ATOM 1682 CA PHE A 108 -6.685 12.356 8.297 1.00 0.00 C ATOM 1683 C PHE A 108 -7.057 13.286 7.139 1.00 0.00 C ATOM 1684 O PHE A 108 -8.164 13.255 6.640 1.00 0.00 O ATOM 1685 CB PHE A 108 -6.697 13.154 9.610 1.00 0.00 C ATOM 1686 CG PHE A 108 -6.568 12.208 10.783 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -7.693 11.513 11.247 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -5.328 12.024 11.404 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -7.574 10.634 12.331 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -5.209 11.146 12.489 1.00 0.00 C ATOM 1691 CZ PHE A 108 -6.332 10.451 12.952 1.00 0.00 C ATOM 0 H PHE A 108 -4.624 12.072 8.752 1.00 0.00 H new ATOM 0 HA PHE A 108 -7.407 11.541 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -5.877 13.872 9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -7.622 13.725 9.691 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.651 11.655 10.769 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.461 12.560 11.046 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.440 10.097 12.688 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.251 11.006 12.968 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.241 9.774 13.788 1.00 0.00 H new ATOM 1701 N SER A 109 -6.138 14.114 6.715 1.00 0.00 N ATOM 1702 CA SER A 109 -6.427 15.055 5.594 1.00 0.00 C ATOM 1703 C SER A 109 -5.106 15.574 5.006 1.00 0.00 C ATOM 1704 O SER A 109 -4.910 16.762 4.836 1.00 0.00 O ATOM 1705 CB SER A 109 -7.270 16.223 6.110 1.00 0.00 C ATOM 1706 OG SER A 109 -6.605 16.840 7.204 1.00 0.00 O ATOM 0 H SER A 109 -5.195 14.179 7.099 1.00 0.00 H new ATOM 0 HA SER A 109 -6.983 14.535 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.432 16.949 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.252 15.867 6.421 1.00 0.00 H new ATOM 0 HG SER A 109 -7.144 17.589 7.534 1.00 0.00 H new ATOM 1712 N LYS A 110 -4.211 14.671 4.695 1.00 0.00 N ATOM 1713 CA LYS A 110 -2.884 15.044 4.110 1.00 0.00 C ATOM 1714 C LYS A 110 -2.302 16.278 4.802 1.00 0.00 C ATOM 1715 O LYS A 110 -2.779 16.719 5.828 1.00 0.00 O ATOM 1716 CB LYS A 110 -3.032 15.340 2.610 1.00 0.00 C ATOM 1717 CG LYS A 110 -3.395 14.058 1.851 1.00 0.00 C ATOM 1718 CD LYS A 110 -3.329 14.319 0.338 1.00 0.00 C ATOM 1719 CE LYS A 110 -4.469 15.251 -0.087 1.00 0.00 C ATOM 1720 NZ LYS A 110 -4.645 15.184 -1.566 1.00 0.00 N ATOM 0 H LYS A 110 -4.346 13.668 4.824 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.208 14.202 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.804 16.094 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.101 15.751 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.709 13.256 2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.396 13.729 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.369 14.765 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.398 13.376 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.394 14.962 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.248 16.274 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.654 15.279 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.111 15.956 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.293 14.270 -1.917 1.00 0.00 H new ATOM 1734 N SER A 111 -1.260 16.824 4.230 1.00 0.00 N ATOM 1735 CA SER A 111 -0.596 18.029 4.805 1.00 0.00 C ATOM 1736 C SER A 111 -0.188 17.782 6.249 1.00 0.00 C ATOM 1737 O SER A 111 -0.715 16.915 6.910 1.00 0.00 O ATOM 1738 CB SER A 111 -1.539 19.232 4.742 1.00 0.00 C ATOM 1739 OG SER A 111 -2.236 19.217 3.505 1.00 0.00 O ATOM 0 H SER A 111 -0.834 16.477 3.371 1.00 0.00 H new ATOM 0 HA SER A 111 0.298 18.236 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.246 19.199 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.973 20.158 4.843 1.00 0.00 H new ATOM 0 HG SER A 111 -2.842 19.986 3.462 1.00 0.00 H new ATOM 1745 N GLU A 112 0.754 18.561 6.722 1.00 0.00 N ATOM 1746 CA GLU A 112 1.244 18.441 8.124 1.00 0.00 C ATOM 1747 C GLU A 112 1.850 17.052 8.356 1.00 0.00 C ATOM 1748 O GLU A 112 3.022 16.913 8.643 1.00 0.00 O ATOM 1749 CB GLU A 112 0.084 18.665 9.098 1.00 0.00 C ATOM 1750 CG GLU A 112 -0.490 20.074 8.906 1.00 0.00 C ATOM 1751 CD GLU A 112 0.559 21.123 9.284 1.00 0.00 C ATOM 1752 OE1 GLU A 112 1.482 20.778 10.002 1.00 0.00 O ATOM 1753 OE2 GLU A 112 0.417 22.255 8.853 1.00 0.00 O ATOM 0 H GLU A 112 1.213 19.292 6.178 1.00 0.00 H new ATOM 0 HA GLU A 112 2.012 19.196 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.693 17.920 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.429 18.540 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.797 20.212 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.380 20.200 9.522 1.00 0.00 H new ATOM 1760 N LEU A 113 1.049 16.029 8.242 1.00 0.00 N ATOM 1761 CA LEU A 113 1.543 14.644 8.461 1.00 0.00 C ATOM 1762 C LEU A 113 2.623 14.308 7.433 1.00 0.00 C ATOM 1763 O LEU A 113 3.626 13.698 7.749 1.00 0.00 O ATOM 1764 CB LEU A 113 0.372 13.665 8.303 1.00 0.00 C ATOM 1765 CG LEU A 113 -0.791 14.103 9.202 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -1.987 13.174 8.982 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -0.357 14.040 10.676 1.00 0.00 C ATOM 0 H LEU A 113 0.060 16.097 8.003 1.00 0.00 H new ATOM 0 HA LEU A 113 1.965 14.564 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.049 13.634 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.690 12.657 8.568 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.075 15.125 8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.813 13.486 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.298 13.222 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.703 12.151 9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.185 14.352 11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.070 13.019 10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.492 14.705 10.834 1.00 0.00 H new ATOM 1779 N GLU A 114 2.421 14.702 6.204 1.00 0.00 N ATOM 1780 CA GLU A 114 3.423 14.413 5.139 1.00 0.00 C ATOM 1781 C GLU A 114 4.788 14.961 5.546 1.00 0.00 C ATOM 1782 O GLU A 114 5.652 14.233 5.998 1.00 0.00 O ATOM 1783 CB GLU A 114 2.983 15.085 3.834 1.00 0.00 C ATOM 1784 CG GLU A 114 1.731 14.386 3.298 1.00 0.00 C ATOM 1785 CD GLU A 114 1.213 15.107 2.050 1.00 0.00 C ATOM 1786 OE1 GLU A 114 1.831 16.079 1.648 1.00 0.00 O ATOM 1787 OE2 GLU A 114 0.204 14.672 1.518 1.00 0.00 O ATOM 0 H GLU A 114 1.598 15.216 5.891 1.00 0.00 H new ATOM 0 HA GLU A 114 3.494 13.334 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.777 16.141 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.785 15.034 3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.961 13.348 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.957 14.372 4.066 1.00 0.00 H new ATOM 1794 N HIS A 115 4.989 16.239 5.366 1.00 0.00 N ATOM 1795 CA HIS A 115 6.298 16.860 5.715 1.00 0.00 C ATOM 1796 C HIS A 115 6.368 17.140 7.215 1.00 0.00 C ATOM 1797 O HIS A 115 5.425 17.607 7.823 1.00 0.00 O ATOM 1798 CB HIS A 115 6.464 18.172 4.933 1.00 0.00 C ATOM 1799 CG HIS A 115 6.468 17.884 3.454 1.00 0.00 C ATOM 1800 ND1 HIS A 115 7.559 17.310 2.816 1.00 0.00 N ATOM 1801 CD2 HIS A 115 5.529 18.093 2.474 1.00 0.00 C ATOM 1802 CE1 HIS A 115 7.251 17.198 1.510 1.00 0.00 C ATOM 1803 NE2 HIS A 115 6.026 17.661 1.247 1.00 0.00 N ATOM 0 H HIS A 115 4.295 16.884 4.989 1.00 0.00 H new ATOM 0 HA HIS A 115 7.101 16.172 5.450 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.653 18.858 5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 115 7.394 18.663 5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.553 18.527 2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.914 16.784 0.765 1.00 0.00 H new ATOM 0 HE2 HIS A 115 5.556 17.692 0.342 1.00 0.00 H new ATOM 1811 N HIS A 116 7.494 16.850 7.810 1.00 0.00 N ATOM 1812 CA HIS A 116 7.669 17.081 9.273 1.00 0.00 C ATOM 1813 C HIS A 116 9.120 17.450 9.568 1.00 0.00 C ATOM 1814 O HIS A 116 10.043 16.918 8.984 1.00 0.00 O ATOM 1815 CB HIS A 116 7.300 15.815 10.043 1.00 0.00 C ATOM 1816 CG HIS A 116 7.342 16.104 11.516 1.00 0.00 C ATOM 1817 ND1 HIS A 116 8.471 15.867 12.285 1.00 0.00 N ATOM 1818 CD2 HIS A 116 6.401 16.610 12.377 1.00 0.00 C ATOM 1819 CE1 HIS A 116 8.184 16.228 13.549 1.00 0.00 C ATOM 1820 NE2 HIS A 116 6.934 16.687 13.661 1.00 0.00 N ATOM 0 H HIS A 116 8.309 16.458 7.339 1.00 0.00 H new ATOM 0 HA HIS A 116 7.018 17.898 9.585 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.305 15.477 9.755 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.994 15.011 9.798 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.399 16.904 12.101 1.00 0.00 H new ATOM 0 HE1 HIS A 116 8.879 16.156 14.372 1.00 0.00 H new ATOM 0 HE2 HIS A 116 6.470 17.022 14.505 1.00 0.00 H new ATOM 1828 N HIS A 117 9.315 18.365 10.477 1.00 0.00 N ATOM 1829 CA HIS A 117 10.693 18.810 10.842 1.00 0.00 C ATOM 1830 C HIS A 117 11.093 18.221 12.194 1.00 0.00 C ATOM 1831 O HIS A 117 10.362 18.288 13.164 1.00 0.00 O ATOM 1832 CB HIS A 117 10.724 20.337 10.909 1.00 0.00 C ATOM 1833 CG HIS A 117 10.441 20.894 9.539 1.00 0.00 C ATOM 1834 ND1 HIS A 117 11.281 20.664 8.463 1.00 0.00 N ATOM 1835 CD2 HIS A 117 9.418 21.672 9.058 1.00 0.00 C ATOM 1836 CE1 HIS A 117 10.755 21.293 7.396 1.00 0.00 C ATOM 1837 NE2 HIS A 117 9.619 21.923 7.704 1.00 0.00 N ATOM 0 H HIS A 117 8.567 18.831 10.991 1.00 0.00 H new ATOM 0 HA HIS A 117 11.399 18.462 10.088 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.983 20.698 11.622 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.698 20.679 11.261 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.584 22.034 9.641 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.198 21.289 6.411 1.00 0.00 H new ATOM 0 HE2 HIS A 117 9.026 22.471 7.081 1.00 0.00 H new ATOM 1845 N HIS A 118 12.263 17.640 12.248 1.00 0.00 N ATOM 1846 CA HIS A 118 12.765 17.019 13.512 1.00 0.00 C ATOM 1847 C HIS A 118 13.772 17.952 14.181 1.00 0.00 C ATOM 1848 O HIS A 118 14.670 18.474 13.552 1.00 0.00 O ATOM 1849 CB HIS A 118 13.443 15.684 13.190 1.00 0.00 C ATOM 1850 CG HIS A 118 12.410 14.699 12.714 1.00 0.00 C ATOM 1851 ND1 HIS A 118 12.003 14.629 11.390 1.00 0.00 N ATOM 1852 CD2 HIS A 118 11.696 13.730 13.376 1.00 0.00 C ATOM 1853 CE1 HIS A 118 11.086 13.651 11.299 1.00 0.00 C ATOM 1854 NE2 HIS A 118 10.861 13.069 12.480 1.00 0.00 N ATOM 0 H HIS A 118 12.903 17.568 11.457 1.00 0.00 H new ATOM 0 HA HIS A 118 11.927 16.850 14.188 1.00 0.00 H new ATOM 0 HB2 HIS A 118 14.205 15.826 12.424 1.00 0.00 H new ATOM 0 HB3 HIS A 118 13.949 15.298 14.075 1.00 0.00 H new ATOM 0 HD2 HIS A 118 11.771 13.514 14.431 1.00 0.00 H new ATOM 0 HE1 HIS A 118 10.591 13.369 10.382 1.00 0.00 H new ATOM 0 HE2 HIS A 118 10.216 12.305 12.682 1.00 0.00 H new ATOM 1862 N HIS A 119 13.615 18.159 15.463 1.00 0.00 N ATOM 1863 CA HIS A 119 14.540 19.060 16.218 1.00 0.00 C ATOM 1864 C HIS A 119 15.494 18.230 17.078 1.00 0.00 C ATOM 1865 O HIS A 119 15.100 17.295 17.747 1.00 0.00 O ATOM 1866 CB HIS A 119 13.720 19.992 17.120 1.00 0.00 C ATOM 1867 CG HIS A 119 12.846 20.873 16.267 1.00 0.00 C ATOM 1868 ND1 HIS A 119 13.365 21.894 15.486 1.00 0.00 N ATOM 1869 CD2 HIS A 119 11.489 20.894 16.056 1.00 0.00 C ATOM 1870 CE1 HIS A 119 12.335 22.480 14.846 1.00 0.00 C ATOM 1871 NE2 HIS A 119 11.169 21.908 15.160 1.00 0.00 N ATOM 0 H HIS A 119 12.877 17.737 16.026 1.00 0.00 H new ATOM 0 HA HIS A 119 15.121 19.650 15.509 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.107 19.406 17.805 1.00 0.00 H new ATOM 0 HB3 HIS A 119 14.385 20.603 17.731 1.00 0.00 H new ATOM 0 HD2 HIS A 119 10.778 20.224 16.516 1.00 0.00 H new ATOM 0 HE1 HIS A 119 12.439 23.310 14.163 1.00 0.00 H new ATOM 0 HE2 HIS A 119 10.243 22.161 14.816 1.00 0.00 H new ATOM 1879 N HIS A 120 16.749 18.582 17.054 1.00 0.00 N ATOM 1880 CA HIS A 120 17.768 17.848 17.856 1.00 0.00 C ATOM 1881 C HIS A 120 18.939 18.786 18.172 1.00 0.00 C ATOM 1882 O HIS A 120 19.757 18.421 19.000 1.00 0.00 O ATOM 1883 CB HIS A 120 18.275 16.643 17.060 1.00 0.00 C ATOM 1884 CG HIS A 120 18.673 17.077 15.674 1.00 0.00 C ATOM 1885 ND1 HIS A 120 19.740 17.931 15.443 1.00 0.00 N ATOM 1886 CD2 HIS A 120 18.159 16.775 14.437 1.00 0.00 C ATOM 1887 CE1 HIS A 120 19.833 18.112 14.113 1.00 0.00 C ATOM 1888 NE2 HIS A 120 18.895 17.430 13.453 1.00 0.00 N ATOM 1889 OXT HIS A 120 18.993 19.853 17.582 1.00 0.00 O ATOM 0 H HIS A 120 17.117 19.359 16.505 1.00 0.00 H new ATOM 0 HA HIS A 120 17.319 17.502 18.787 1.00 0.00 H new ATOM 0 HB2 HIS A 120 19.127 16.192 17.569 1.00 0.00 H new ATOM 0 HB3 HIS A 120 17.498 15.880 17.003 1.00 0.00 H new ATOM 0 HD2 HIS A 120 17.313 16.128 14.255 1.00 0.00 H new ATOM 0 HE1 HIS A 120 20.577 18.734 13.637 1.00 0.00 H new ATOM 0 HE2 HIS A 120 18.749 17.396 12.444 1.00 0.00 H new TER 1897 HIS A 120