USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 ASN : amide:sc= -8.31! C(o=-8.3!,f=-6!) USER MOD Set 2.1: A 27 GLN : amide:sc= -1.69! C(o=-3.8!,f=-6.9!) USER MOD Set 2.2: A 32 TYR OH : rot -21:sc= 0.122 USER MOD Set 2.3: A 103 ASN : amide:sc= -2.23! C(o=-3.8!,f=-8.7!) USER MOD Set 3.1: A 53 SER OG : rot 180:sc= -0.247 USER MOD Set 3.2: A 65 THR OG1 : rot 50:sc= -0.517 USER MOD Set 4.1: A 36 GLN : amide:sc= -14.9! C(o=-23!,f=-27!) USER MOD Set 4.2: A 48 ASN : amide:sc= -8.35! C(o=-23!,f=-37!) USER MOD Set 5.1: A 37 CYS SG : rot -132:sc= -10.3! USER MOD Set 5.2: A 47 CYS SG : rot -84:sc= -18! USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0181 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.17! USER MOD Single : A 8 THR OG1 : rot -141:sc= -5.64! USER MOD Single : A 10 SER OG : rot -170:sc= -0.0164 USER MOD Single : A 11 SER OG : rot -3:sc= 1.01 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= 0.765 (180deg=0.477) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.118 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -15:sc= 0.818! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 120:sc= -4.49! USER MOD Single : A 72 SER OG : rot 50:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 98 SER OG : rot 180:sc= -2.69! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.232 13.509 -6.784 1.00 0.00 N ATOM 2 CA ALA A 1 1.043 13.877 -6.202 1.00 0.00 C ATOM 3 C ALA A 1 1.547 12.751 -5.310 1.00 0.00 C ATOM 4 O ALA A 1 0.781 12.179 -4.537 1.00 0.00 O ATOM 5 CB ALA A 1 0.884 15.168 -5.405 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.868 14.332 -6.775 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.088 13.194 -7.764 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.656 12.737 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 1 1.774 14.042 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.843 15.446 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.543 15.964 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.152 15.018 -4.611 1.00 0.00 H new ATOM 11 N ALA A 2 2.839 12.434 -5.419 1.00 0.00 N ATOM 12 CA ALA A 2 3.437 11.379 -4.625 1.00 0.00 C ATOM 13 C ALA A 2 4.741 11.870 -4.014 1.00 0.00 C ATOM 14 O ALA A 2 5.677 12.212 -4.734 1.00 0.00 O ATOM 15 CB ALA A 2 3.678 10.156 -5.504 1.00 0.00 C ATOM 0 H ALA A 2 3.487 12.900 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 2 2.762 11.100 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.128 9.362 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.729 9.809 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.350 10.421 -6.320 1.00 0.00 H new ATOM 21 N PRO A 3 4.802 11.906 -2.681 1.00 0.00 N ATOM 22 CA PRO A 3 5.958 12.342 -1.928 1.00 0.00 C ATOM 23 C PRO A 3 7.054 11.290 -2.020 1.00 0.00 C ATOM 24 O PRO A 3 6.888 10.275 -2.694 1.00 0.00 O ATOM 25 CB PRO A 3 5.459 12.488 -0.492 1.00 0.00 C ATOM 26 CG PRO A 3 4.348 11.441 -0.413 1.00 0.00 C ATOM 27 CD PRO A 3 3.721 11.512 -1.803 1.00 0.00 C ATOM 0 HA PRO A 3 6.380 13.275 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.250 12.295 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.084 13.492 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.742 10.448 -0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.626 11.675 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.304 10.549 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.906 12.235 -1.832 1.00 0.00 H new ATOM 35 N THR A 4 8.178 11.534 -1.342 1.00 0.00 N ATOM 36 CA THR A 4 9.291 10.606 -1.355 1.00 0.00 C ATOM 37 C THR A 4 9.284 9.770 -0.083 1.00 0.00 C ATOM 38 O THR A 4 9.430 10.304 1.015 1.00 0.00 O ATOM 39 CB THR A 4 10.598 11.383 -1.484 1.00 0.00 C ATOM 40 OG1 THR A 4 11.684 10.484 -1.456 1.00 0.00 O ATOM 41 CG2 THR A 4 10.723 12.366 -0.323 1.00 0.00 C ATOM 0 H THR A 4 8.333 12.370 -0.779 1.00 0.00 H new ATOM 0 HA THR A 4 9.197 9.933 -2.207 1.00 0.00 H new ATOM 0 HB THR A 4 10.603 11.931 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.524 10.982 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.657 12.921 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.884 13.061 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.718 11.818 0.619 1.00 0.00 H new ATOM 49 N ALA A 5 9.113 8.455 -0.233 1.00 0.00 N ATOM 50 CA ALA A 5 9.087 7.553 0.900 1.00 0.00 C ATOM 51 C ALA A 5 10.010 6.370 0.639 1.00 0.00 C ATOM 52 O ALA A 5 10.001 5.802 -0.450 1.00 0.00 O ATOM 53 CB ALA A 5 7.656 7.080 1.140 1.00 0.00 C ATOM 0 H ALA A 5 8.991 7.998 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 5 9.438 8.072 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.635 6.401 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.018 7.940 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.291 6.561 0.254 1.00 0.00 H new ATOM 59 N THR A 6 10.808 6.000 1.643 1.00 0.00 N ATOM 60 CA THR A 6 11.729 4.889 1.513 1.00 0.00 C ATOM 61 C THR A 6 11.098 3.624 2.078 1.00 0.00 C ATOM 62 O THR A 6 10.869 3.525 3.281 1.00 0.00 O ATOM 63 CB THR A 6 13.028 5.217 2.243 1.00 0.00 C ATOM 64 OG1 THR A 6 12.737 5.958 3.408 1.00 0.00 O ATOM 65 CG2 THR A 6 13.931 6.040 1.329 1.00 0.00 C ATOM 0 H THR A 6 10.828 6.460 2.553 1.00 0.00 H new ATOM 0 HA THR A 6 11.952 4.720 0.460 1.00 0.00 H new ATOM 0 HB THR A 6 13.535 4.292 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.570 6.168 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.859 6.275 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.155 5.469 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.425 6.966 1.055 1.00 0.00 H new ATOM 73 N VAL A 7 10.818 2.654 1.203 1.00 0.00 N ATOM 74 CA VAL A 7 10.217 1.402 1.616 1.00 0.00 C ATOM 75 C VAL A 7 11.226 0.273 1.466 1.00 0.00 C ATOM 76 O VAL A 7 12.149 0.366 0.661 1.00 0.00 O ATOM 77 CB VAL A 7 8.974 1.134 0.773 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.352 2.460 0.346 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.364 0.332 -0.466 1.00 0.00 C ATOM 0 H VAL A 7 11.002 2.721 0.202 1.00 0.00 H new ATOM 0 HA VAL A 7 9.922 1.462 2.664 1.00 0.00 H new ATOM 0 HB VAL A 7 8.252 0.568 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.464 2.268 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.074 3.033 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.073 3.028 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.477 0.140 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.086 0.898 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.808 -0.616 -0.161 1.00 0.00 H new ATOM 89 N THR A 8 11.048 -0.797 2.244 1.00 0.00 N ATOM 90 CA THR A 8 11.943 -1.935 2.190 1.00 0.00 C ATOM 91 C THR A 8 11.790 -2.653 0.856 1.00 0.00 C ATOM 92 O THR A 8 10.934 -2.294 0.050 1.00 0.00 O ATOM 93 CB THR A 8 11.636 -2.879 3.349 1.00 0.00 C ATOM 94 OG1 THR A 8 12.842 -3.381 3.879 1.00 0.00 O ATOM 95 CG2 THR A 8 10.779 -4.038 2.849 1.00 0.00 C ATOM 0 H THR A 8 10.288 -0.891 2.918 1.00 0.00 H new ATOM 0 HA THR A 8 12.974 -1.593 2.279 1.00 0.00 H new ATOM 0 HB THR A 8 11.096 -2.337 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.727 -4.325 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.560 -4.712 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.846 -3.651 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.318 -4.581 2.072 1.00 0.00 H new ATOM 103 N PRO A 9 12.623 -3.670 0.626 1.00 0.00 N ATOM 104 CA PRO A 9 12.623 -4.467 -0.582 1.00 0.00 C ATOM 105 C PRO A 9 11.400 -5.373 -0.596 1.00 0.00 C ATOM 106 O PRO A 9 11.237 -6.212 0.288 1.00 0.00 O ATOM 107 CB PRO A 9 13.910 -5.285 -0.511 1.00 0.00 C ATOM 108 CG PRO A 9 14.120 -5.455 0.993 1.00 0.00 C ATOM 109 CD PRO A 9 13.640 -4.118 1.552 1.00 0.00 C ATOM 0 HA PRO A 9 12.582 -3.864 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.807 -6.245 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.746 -4.766 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.544 -6.290 1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.165 -5.644 1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.235 -4.233 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.458 -3.401 1.617 1.00 0.00 H new ATOM 117 N SER A 10 10.539 -5.201 -1.602 1.00 0.00 N ATOM 118 CA SER A 10 9.338 -6.002 -1.723 1.00 0.00 C ATOM 119 C SER A 10 9.459 -6.936 -2.919 1.00 0.00 C ATOM 120 O SER A 10 8.546 -7.022 -3.737 1.00 0.00 O ATOM 121 CB SER A 10 8.128 -5.084 -1.874 1.00 0.00 C ATOM 122 OG SER A 10 8.379 -4.140 -2.891 1.00 0.00 O ATOM 0 H SER A 10 10.660 -4.510 -2.342 1.00 0.00 H new ATOM 0 HA SER A 10 9.208 -6.608 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.242 -5.670 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.925 -4.575 -0.932 1.00 0.00 H new ATOM 0 HG SER A 10 7.677 -3.456 -2.883 1.00 0.00 H new ATOM 128 N SER A 11 10.590 -7.638 -3.018 1.00 0.00 N ATOM 129 CA SER A 11 10.822 -8.562 -4.110 1.00 0.00 C ATOM 130 C SER A 11 11.210 -9.926 -3.559 1.00 0.00 C ATOM 131 O SER A 11 12.329 -10.111 -3.084 1.00 0.00 O ATOM 132 CB SER A 11 11.921 -8.012 -5.016 1.00 0.00 C ATOM 133 OG SER A 11 13.169 -8.142 -4.372 1.00 0.00 O ATOM 0 H SER A 11 11.357 -7.578 -2.348 1.00 0.00 H new ATOM 0 HA SER A 11 9.909 -8.675 -4.695 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.930 -8.551 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.726 -6.965 -5.247 1.00 0.00 H new ATOM 0 HG SER A 11 13.036 -8.504 -3.471 1.00 0.00 H new ATOM 139 N GLY A 12 10.283 -10.885 -3.625 1.00 0.00 N ATOM 140 CA GLY A 12 10.538 -12.224 -3.132 1.00 0.00 C ATOM 141 C GLY A 12 10.119 -12.338 -1.673 1.00 0.00 C ATOM 142 O GLY A 12 10.721 -13.089 -0.909 1.00 0.00 O ATOM 0 H GLY A 12 9.351 -10.750 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.991 -12.950 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.597 -12.461 -3.233 1.00 0.00 H new ATOM 146 N LEU A 13 9.083 -11.590 -1.288 1.00 0.00 N ATOM 147 CA LEU A 13 8.589 -11.609 0.074 1.00 0.00 C ATOM 148 C LEU A 13 7.226 -12.285 0.120 1.00 0.00 C ATOM 149 O LEU A 13 6.331 -11.934 -0.645 1.00 0.00 O ATOM 150 CB LEU A 13 8.502 -10.181 0.604 1.00 0.00 C ATOM 151 CG LEU A 13 9.643 -9.352 0.021 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.965 -8.196 0.964 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.878 -10.233 -0.145 1.00 0.00 C ATOM 0 H LEU A 13 8.573 -10.963 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 13 9.275 -12.175 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.543 -9.739 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.558 -10.182 1.693 1.00 0.00 H new ATOM 0 HG LEU A 13 9.346 -8.956 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.780 -7.603 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.083 -7.567 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.263 -8.591 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.693 -9.642 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.176 -10.629 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.648 -11.059 -0.818 1.00 0.00 H new ATOM 165 N SER A 14 7.071 -13.258 1.021 1.00 0.00 N ATOM 166 CA SER A 14 5.820 -13.975 1.162 1.00 0.00 C ATOM 167 C SER A 14 5.187 -13.651 2.508 1.00 0.00 C ATOM 168 O SER A 14 5.777 -12.941 3.319 1.00 0.00 O ATOM 169 CB SER A 14 6.076 -15.474 1.032 1.00 0.00 C ATOM 170 OG SER A 14 5.200 -16.018 0.070 1.00 0.00 O ATOM 0 H SER A 14 7.804 -13.562 1.662 1.00 0.00 H new ATOM 0 HA SER A 14 5.130 -13.668 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.111 -15.653 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.927 -15.964 1.994 1.00 0.00 H new ATOM 0 HG SER A 14 5.365 -16.980 -0.015 1.00 0.00 H new ATOM 176 N ASP A 15 3.982 -14.175 2.744 1.00 0.00 N ATOM 177 CA ASP A 15 3.277 -13.940 3.988 1.00 0.00 C ATOM 178 C ASP A 15 4.233 -14.106 5.161 1.00 0.00 C ATOM 179 O ASP A 15 5.065 -15.010 5.162 1.00 0.00 O ATOM 180 CB ASP A 15 2.107 -14.914 4.101 1.00 0.00 C ATOM 181 CG ASP A 15 1.922 -15.376 5.539 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.573 -16.381 5.901 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.133 -14.717 6.250 1.00 0.00 O ATOM 0 H ASP A 15 3.480 -14.766 2.082 1.00 0.00 H new ATOM 0 HA ASP A 15 2.887 -12.922 4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.194 -14.434 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.283 -15.776 3.458 1.00 0.00 H new ATOM 188 N GLY A 16 4.113 -13.230 6.162 1.00 0.00 N ATOM 189 CA GLY A 16 4.967 -13.289 7.331 1.00 0.00 C ATOM 190 C GLY A 16 6.028 -12.199 7.264 1.00 0.00 C ATOM 191 O GLY A 16 6.577 -11.800 8.289 1.00 0.00 O ATOM 0 H GLY A 16 3.429 -12.474 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.368 -13.169 8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.444 -14.267 7.393 1.00 0.00 H new ATOM 195 N THR A 17 6.316 -11.717 6.053 1.00 0.00 N ATOM 196 CA THR A 17 7.307 -10.677 5.863 1.00 0.00 C ATOM 197 C THR A 17 6.695 -9.317 6.164 1.00 0.00 C ATOM 198 O THR A 17 5.496 -9.118 5.983 1.00 0.00 O ATOM 199 CB THR A 17 7.831 -10.731 4.431 1.00 0.00 C ATOM 200 OG1 THR A 17 8.643 -11.871 4.270 1.00 0.00 O ATOM 201 CG2 THR A 17 8.651 -9.477 4.142 1.00 0.00 C ATOM 0 H THR A 17 5.871 -12.037 5.193 1.00 0.00 H new ATOM 0 HA THR A 17 8.141 -10.835 6.547 1.00 0.00 H new ATOM 0 HB THR A 17 6.991 -10.783 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.978 -11.907 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.026 -9.515 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.023 -8.595 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.491 -9.424 4.834 1.00 0.00 H new ATOM 209 N VAL A 18 7.525 -8.377 6.623 1.00 0.00 N ATOM 210 CA VAL A 18 7.065 -7.042 6.946 1.00 0.00 C ATOM 211 C VAL A 18 7.819 -6.021 6.106 1.00 0.00 C ATOM 212 O VAL A 18 9.042 -5.936 6.178 1.00 0.00 O ATOM 213 CB VAL A 18 7.274 -6.778 8.434 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.762 -6.869 8.763 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.762 -5.383 8.780 1.00 0.00 C ATOM 0 H VAL A 18 8.522 -8.526 6.777 1.00 0.00 H new ATOM 0 HA VAL A 18 6.002 -6.955 6.722 1.00 0.00 H new ATOM 0 HB VAL A 18 6.727 -7.521 9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.912 -6.680 9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.129 -7.865 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.309 -6.126 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.911 -5.194 9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.309 -4.640 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.700 -5.317 8.545 1.00 0.00 H new ATOM 225 N VAL A 19 7.083 -5.244 5.307 1.00 0.00 N ATOM 226 CA VAL A 19 7.684 -4.234 4.458 1.00 0.00 C ATOM 227 C VAL A 19 7.823 -2.929 5.230 1.00 0.00 C ATOM 228 O VAL A 19 7.079 -2.684 6.178 1.00 0.00 O ATOM 229 CB VAL A 19 6.822 -4.037 3.215 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.352 -3.968 3.619 1.00 0.00 C ATOM 231 CG2 VAL A 19 7.220 -2.738 2.520 1.00 0.00 C ATOM 0 H VAL A 19 6.067 -5.302 5.236 1.00 0.00 H new ATOM 0 HA VAL A 19 8.677 -4.558 4.147 1.00 0.00 H new ATOM 0 HB VAL A 19 6.972 -4.875 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.737 -3.827 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.067 -4.896 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.201 -3.131 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.604 -2.597 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.071 -1.900 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.269 -2.787 2.230 1.00 0.00 H new ATOM 241 N LYS A 20 8.778 -2.091 4.822 1.00 0.00 N ATOM 242 CA LYS A 20 9.007 -0.818 5.477 1.00 0.00 C ATOM 243 C LYS A 20 8.527 0.317 4.584 1.00 0.00 C ATOM 244 O LYS A 20 8.601 0.222 3.361 1.00 0.00 O ATOM 245 CB LYS A 20 10.493 -0.668 5.790 1.00 0.00 C ATOM 246 CG LYS A 20 10.664 0.163 7.058 1.00 0.00 C ATOM 247 CD LYS A 20 10.540 1.645 6.715 1.00 0.00 C ATOM 248 CE LYS A 20 11.904 2.316 6.858 1.00 0.00 C ATOM 249 NZ LYS A 20 12.467 2.652 5.541 1.00 0.00 N ATOM 0 H LYS A 20 9.403 -2.279 4.038 1.00 0.00 H new ATOM 0 HA LYS A 20 8.446 -0.780 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.949 -1.649 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.005 -0.188 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.909 -0.116 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.636 -0.037 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.169 1.764 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.817 2.123 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.807 3.221 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.586 1.653 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.173 3.408 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.921 1.810 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.706 2.976 4.910 1.00 0.00 H new ATOM 263 N VAL A 21 8.034 1.395 5.200 1.00 0.00 N ATOM 264 CA VAL A 21 7.545 2.541 4.461 1.00 0.00 C ATOM 265 C VAL A 21 7.876 3.820 5.218 1.00 0.00 C ATOM 266 O VAL A 21 7.309 4.081 6.276 1.00 0.00 O ATOM 267 CB VAL A 21 6.039 2.408 4.255 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.309 3.332 5.226 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.686 2.795 2.822 1.00 0.00 C ATOM 0 H VAL A 21 7.967 1.489 6.213 1.00 0.00 H new ATOM 0 HA VAL A 21 8.028 2.584 3.485 1.00 0.00 H new ATOM 0 HB VAL A 21 5.737 1.377 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.233 3.237 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.561 3.056 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.611 4.363 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.610 2.700 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.988 3.826 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.207 2.135 2.128 1.00 0.00 H new ATOM 279 N ALA A 22 8.796 4.618 4.671 1.00 0.00 N ATOM 280 CA ALA A 22 9.197 5.862 5.296 1.00 0.00 C ATOM 281 C ALA A 22 8.959 7.020 4.338 1.00 0.00 C ATOM 282 O ALA A 22 9.581 7.090 3.280 1.00 0.00 O ATOM 283 CB ALA A 22 10.669 5.781 5.692 1.00 0.00 C ATOM 0 H ALA A 22 9.274 4.416 3.793 1.00 0.00 H new ATOM 0 HA ALA A 22 8.602 6.031 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.971 6.717 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.812 4.959 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.276 5.609 4.803 1.00 0.00 H new ATOM 289 N GLY A 23 8.056 7.931 4.709 1.00 0.00 N ATOM 290 CA GLY A 23 7.745 9.077 3.878 1.00 0.00 C ATOM 291 C GLY A 23 8.762 10.187 4.108 1.00 0.00 C ATOM 292 O GLY A 23 9.295 10.326 5.207 1.00 0.00 O ATOM 0 H GLY A 23 7.531 7.889 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.747 8.785 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.743 9.439 4.107 1.00 0.00 H new ATOM 296 N ALA A 24 9.029 10.978 3.067 1.00 0.00 N ATOM 297 CA ALA A 24 9.979 12.068 3.159 1.00 0.00 C ATOM 298 C ALA A 24 9.582 13.180 2.198 1.00 0.00 C ATOM 299 O ALA A 24 9.600 12.989 0.984 1.00 0.00 O ATOM 300 CB ALA A 24 11.378 11.551 2.839 1.00 0.00 C ATOM 0 H ALA A 24 8.594 10.876 2.150 1.00 0.00 H new ATOM 0 HA ALA A 24 9.978 12.472 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.093 12.371 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.649 10.771 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.392 11.141 1.829 1.00 0.00 H new ATOM 306 N GLY A 25 9.222 14.344 2.743 1.00 0.00 N ATOM 307 CA GLY A 25 8.823 15.475 1.929 1.00 0.00 C ATOM 308 C GLY A 25 7.306 15.547 1.833 1.00 0.00 C ATOM 309 O GLY A 25 6.768 16.272 0.999 1.00 0.00 O ATOM 0 H GLY A 25 9.201 14.520 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.211 16.398 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.253 15.384 0.932 1.00 0.00 H new ATOM 313 N LEU A 26 6.616 14.793 2.692 1.00 0.00 N ATOM 314 CA LEU A 26 5.167 14.775 2.701 1.00 0.00 C ATOM 315 C LEU A 26 4.643 15.840 3.654 1.00 0.00 C ATOM 316 O LEU A 26 5.416 16.466 4.375 1.00 0.00 O ATOM 317 CB LEU A 26 4.679 13.390 3.118 1.00 0.00 C ATOM 318 CG LEU A 26 5.861 12.427 3.163 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.556 12.537 4.517 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.361 10.999 2.963 1.00 0.00 C ATOM 0 H LEU A 26 7.048 14.187 3.390 1.00 0.00 H new ATOM 0 HA LEU A 26 4.791 14.993 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.200 13.441 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.929 13.030 2.414 1.00 0.00 H new ATOM 0 HG LEU A 26 6.566 12.680 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.401 11.849 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.913 13.557 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.851 12.284 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.205 10.310 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.656 10.746 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.864 10.919 1.996 1.00 0.00 H new ATOM 332 N GLN A 27 3.324 16.046 3.654 1.00 0.00 N ATOM 333 CA GLN A 27 2.705 17.033 4.516 1.00 0.00 C ATOM 334 C GLN A 27 3.135 16.803 5.958 1.00 0.00 C ATOM 335 O GLN A 27 2.886 15.739 6.520 1.00 0.00 O ATOM 336 CB GLN A 27 1.187 16.942 4.383 1.00 0.00 C ATOM 337 CG GLN A 27 0.765 17.444 3.006 1.00 0.00 C ATOM 338 CD GLN A 27 0.346 16.286 2.111 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.103 15.868 1.238 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.865 15.769 2.330 1.00 0.00 N ATOM 0 H GLN A 27 2.669 15.536 3.061 1.00 0.00 H new ATOM 0 HA GLN A 27 3.024 18.032 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.860 15.911 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.707 17.536 5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.061 18.147 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.590 17.986 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.457 16.151 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.198 14.992 1.760 1.00 0.00 H new ATOM 349 N ALA A 28 3.783 17.806 6.556 1.00 0.00 N ATOM 350 CA ALA A 28 4.244 17.708 7.926 1.00 0.00 C ATOM 351 C ALA A 28 3.060 17.808 8.877 1.00 0.00 C ATOM 352 O ALA A 28 2.216 18.688 8.730 1.00 0.00 O ATOM 353 CB ALA A 28 5.254 18.818 8.202 1.00 0.00 C ATOM 0 H ALA A 28 3.997 18.695 6.103 1.00 0.00 H new ATOM 0 HA ALA A 28 4.730 16.745 8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.602 18.746 9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.102 18.715 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.781 19.787 8.046 1.00 0.00 H new ATOM 359 N GLY A 29 2.998 16.901 9.855 1.00 0.00 N ATOM 360 CA GLY A 29 1.917 16.895 10.820 1.00 0.00 C ATOM 361 C GLY A 29 0.638 16.380 10.176 1.00 0.00 C ATOM 362 O GLY A 29 -0.430 16.431 10.783 1.00 0.00 O ATOM 0 H GLY A 29 3.689 16.164 9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.183 16.267 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.758 17.902 11.205 1.00 0.00 H new ATOM 366 N THR A 30 0.747 15.883 8.942 1.00 0.00 N ATOM 367 CA THR A 30 -0.401 15.363 8.227 1.00 0.00 C ATOM 368 C THR A 30 -0.497 13.857 8.426 1.00 0.00 C ATOM 369 O THR A 30 0.519 13.165 8.448 1.00 0.00 O ATOM 370 CB THR A 30 -0.273 15.705 6.745 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.216 16.698 6.410 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.533 14.455 5.910 1.00 0.00 C ATOM 0 H THR A 30 1.624 15.833 8.424 1.00 0.00 H new ATOM 0 HA THR A 30 -1.312 15.818 8.616 1.00 0.00 H new ATOM 0 HB THR A 30 0.732 16.074 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.363 16.696 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.442 14.699 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.195 13.686 6.169 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.538 14.085 6.112 1.00 0.00 H new ATOM 380 N ALA A 31 -1.723 13.350 8.570 1.00 0.00 N ATOM 381 CA ALA A 31 -1.947 11.932 8.767 1.00 0.00 C ATOM 382 C ALA A 31 -1.980 11.224 7.421 1.00 0.00 C ATOM 383 O ALA A 31 -2.371 11.815 6.416 1.00 0.00 O ATOM 384 CB ALA A 31 -3.258 11.725 9.520 1.00 0.00 C ATOM 0 H ALA A 31 -2.575 13.911 8.552 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.134 11.509 9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.428 10.659 9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.204 12.222 10.488 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.080 12.146 8.941 1.00 0.00 H new ATOM 390 N TYR A 32 -1.569 9.954 7.401 1.00 0.00 N ATOM 391 CA TYR A 32 -1.553 9.176 6.179 1.00 0.00 C ATOM 392 C TYR A 32 -2.117 7.787 6.443 1.00 0.00 C ATOM 393 O TYR A 32 -1.867 7.204 7.496 1.00 0.00 O ATOM 394 CB TYR A 32 -0.123 9.088 5.652 1.00 0.00 C ATOM 395 CG TYR A 32 0.339 10.343 4.951 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.356 10.816 3.831 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.463 11.033 5.419 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.073 11.979 3.180 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.892 12.196 4.768 1.00 0.00 C ATOM 400 CZ TYR A 32 1.197 12.669 3.649 1.00 0.00 C ATOM 401 OH TYR A 32 1.615 13.802 3.015 1.00 0.00 O ATOM 0 H TYR A 32 -1.243 9.449 8.225 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.175 9.661 5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.550 8.877 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.050 8.248 4.962 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.223 10.284 3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.000 10.668 6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.463 12.344 2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.759 12.728 5.129 1.00 0.00 H new ATOM 0 HH TYR A 32 1.263 13.814 2.100 1.00 0.00 H new ATOM 411 N ASP A 33 -2.879 7.258 5.484 1.00 0.00 N ATOM 412 CA ASP A 33 -3.474 5.944 5.618 1.00 0.00 C ATOM 413 C ASP A 33 -2.700 4.940 4.776 1.00 0.00 C ATOM 414 O ASP A 33 -2.634 5.071 3.555 1.00 0.00 O ATOM 415 CB ASP A 33 -4.936 6.001 5.185 1.00 0.00 C ATOM 416 CG ASP A 33 -5.864 5.775 6.370 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.328 5.512 7.468 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.091 5.871 6.156 1.00 0.00 O ATOM 0 H ASP A 33 -3.094 7.729 4.605 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.430 5.625 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.148 6.970 4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.123 5.245 4.422 1.00 0.00 H new ATOM 423 N VAL A 34 -2.113 3.935 5.430 1.00 0.00 N ATOM 424 CA VAL A 34 -1.348 2.916 4.740 1.00 0.00 C ATOM 425 C VAL A 34 -2.153 1.626 4.671 1.00 0.00 C ATOM 426 O VAL A 34 -2.897 1.307 5.596 1.00 0.00 O ATOM 427 CB VAL A 34 -0.027 2.692 5.469 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.116 2.672 4.458 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.199 3.821 6.470 1.00 0.00 C ATOM 0 H VAL A 34 -2.158 3.813 6.442 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.134 3.242 3.722 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.061 1.739 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.060 2.512 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.955 1.865 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.151 3.624 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.143 3.662 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.233 4.774 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.617 3.835 7.193 1.00 0.00 H new ATOM 439 N GLY A 35 -2.002 0.882 3.573 1.00 0.00 N ATOM 440 CA GLY A 35 -2.716 -0.366 3.395 1.00 0.00 C ATOM 441 C GLY A 35 -2.142 -1.139 2.216 1.00 0.00 C ATOM 442 O GLY A 35 -1.342 -0.606 1.451 1.00 0.00 O ATOM 0 H GLY A 35 -1.388 1.130 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.644 -0.966 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.774 -0.167 3.227 1.00 0.00 H new ATOM 446 N GLN A 36 -2.552 -2.402 2.072 1.00 0.00 N ATOM 447 CA GLN A 36 -2.076 -3.241 0.991 1.00 0.00 C ATOM 448 C GLN A 36 -3.215 -3.531 0.023 1.00 0.00 C ATOM 449 O GLN A 36 -4.134 -4.279 0.349 1.00 0.00 O ATOM 450 CB GLN A 36 -1.511 -4.537 1.566 1.00 0.00 C ATOM 451 CG GLN A 36 -1.254 -5.527 0.433 1.00 0.00 C ATOM 452 CD GLN A 36 -0.640 -6.813 0.966 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.299 -7.571 1.675 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.627 -7.059 0.623 1.00 0.00 N ATOM 0 H GLN A 36 -3.215 -2.859 2.698 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.285 -2.726 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.585 -4.335 2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.211 -4.964 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.190 -5.751 -0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.587 -5.078 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.133 -6.399 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.089 -7.907 0.952 1.00 0.00 H new ATOM 463 N CYS A 37 -3.152 -2.937 -1.171 1.00 0.00 N ATOM 464 CA CYS A 37 -4.174 -3.134 -2.179 1.00 0.00 C ATOM 465 C CYS A 37 -3.599 -3.921 -3.348 1.00 0.00 C ATOM 466 O CYS A 37 -2.432 -3.755 -3.696 1.00 0.00 O ATOM 467 CB CYS A 37 -4.696 -1.778 -2.645 1.00 0.00 C ATOM 468 SG CYS A 37 -5.292 -0.719 -1.303 1.00 0.00 S ATOM 0 H CYS A 37 -2.396 -2.314 -1.456 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.003 -3.702 -1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.901 -1.258 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.507 -1.937 -3.356 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.456 -0.232 -1.618 1.00 0.00 H new ATOM 473 N ALA A 38 -4.422 -4.781 -3.953 1.00 0.00 N ATOM 474 CA ALA A 38 -3.992 -5.589 -5.076 1.00 0.00 C ATOM 475 C ALA A 38 -4.910 -5.347 -6.266 1.00 0.00 C ATOM 476 O ALA A 38 -6.130 -5.401 -6.132 1.00 0.00 O ATOM 477 CB ALA A 38 -4.002 -7.061 -4.676 1.00 0.00 C ATOM 0 H ALA A 38 -5.392 -4.930 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.978 -5.311 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.679 -7.670 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.323 -7.215 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.011 -7.352 -4.384 1.00 0.00 H new ATOM 483 N TRP A 39 -4.320 -5.079 -7.434 1.00 0.00 N ATOM 484 CA TRP A 39 -5.090 -4.833 -8.636 1.00 0.00 C ATOM 485 C TRP A 39 -5.847 -6.092 -9.034 1.00 0.00 C ATOM 486 O TRP A 39 -5.244 -7.143 -9.241 1.00 0.00 O ATOM 487 CB TRP A 39 -4.154 -4.389 -9.756 1.00 0.00 C ATOM 488 CG TRP A 39 -4.531 -4.871 -11.121 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.794 -5.043 -11.566 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.661 -5.249 -12.231 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.767 -5.499 -12.867 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.474 -5.645 -13.328 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.269 -5.299 -12.424 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -3.938 -6.066 -14.548 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.721 -5.720 -13.644 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.550 -6.104 -14.705 1.00 0.00 C ATOM 0 H TRP A 39 -3.309 -5.029 -7.563 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.816 -4.042 -8.450 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.118 -3.300 -9.769 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.147 -4.739 -9.528 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.688 -4.853 -10.991 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.599 -5.703 -13.420 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.611 -5.008 -11.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.588 -6.358 -15.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.648 -5.748 -13.767 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.119 -6.428 -15.641 1.00 0.00 H new ATOM 507 N VAL A 40 -7.173 -5.984 -9.141 1.00 0.00 N ATOM 508 CA VAL A 40 -8.006 -7.110 -9.512 1.00 0.00 C ATOM 509 C VAL A 40 -8.426 -6.982 -10.969 1.00 0.00 C ATOM 510 O VAL A 40 -8.408 -7.961 -11.711 1.00 0.00 O ATOM 511 CB VAL A 40 -9.227 -7.162 -8.599 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.806 -7.632 -7.210 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.846 -5.770 -8.499 1.00 0.00 C ATOM 0 H VAL A 40 -7.687 -5.119 -8.973 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.444 -8.037 -9.397 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.959 -7.857 -9.011 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.679 -7.669 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.364 -8.626 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.074 -6.938 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.719 -5.806 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.114 -5.075 -8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.148 -5.434 -9.491 1.00 0.00 H new ATOM 523 N ASP A 41 -8.804 -5.769 -11.378 1.00 0.00 N ATOM 524 CA ASP A 41 -9.226 -5.519 -12.742 1.00 0.00 C ATOM 525 C ASP A 41 -8.654 -4.194 -13.224 1.00 0.00 C ATOM 526 O ASP A 41 -7.953 -3.512 -12.480 1.00 0.00 O ATOM 527 CB ASP A 41 -10.751 -5.505 -12.807 1.00 0.00 C ATOM 528 CG ASP A 41 -11.268 -6.624 -13.700 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.893 -6.617 -14.893 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.027 -7.466 -13.174 1.00 0.00 O ATOM 0 H ASP A 41 -8.824 -4.947 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.855 -6.311 -13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.163 -5.616 -11.804 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.094 -4.543 -13.188 1.00 0.00 H new ATOM 535 N THR A 42 -8.953 -3.831 -14.473 1.00 0.00 N ATOM 536 CA THR A 42 -8.466 -2.590 -15.042 1.00 0.00 C ATOM 537 C THR A 42 -9.038 -1.407 -14.275 1.00 0.00 C ATOM 538 O THR A 42 -10.239 -1.153 -14.325 1.00 0.00 O ATOM 539 CB THR A 42 -8.858 -2.519 -16.516 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.111 -3.466 -17.247 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.569 -1.120 -17.052 1.00 0.00 C ATOM 0 H THR A 42 -9.532 -4.385 -15.104 1.00 0.00 H new ATOM 0 HA THR A 42 -7.379 -2.554 -14.965 1.00 0.00 H new ATOM 0 HB THR A 42 -9.921 -2.736 -16.620 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.363 -3.422 -18.193 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.849 -1.069 -18.104 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.146 -0.388 -16.487 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.506 -0.903 -16.948 1.00 0.00 H new ATOM 549 N GLY A 43 -8.173 -0.682 -13.561 1.00 0.00 N ATOM 550 CA GLY A 43 -8.600 0.468 -12.790 1.00 0.00 C ATOM 551 C GLY A 43 -9.399 0.020 -11.574 1.00 0.00 C ATOM 552 O GLY A 43 -9.982 0.844 -10.873 1.00 0.00 O ATOM 0 H GLY A 43 -7.174 -0.879 -13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.731 1.044 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.208 1.126 -13.411 1.00 0.00 H new ATOM 556 N VAL A 44 -9.424 -1.291 -11.325 1.00 0.00 N ATOM 557 CA VAL A 44 -10.150 -1.842 -10.198 1.00 0.00 C ATOM 558 C VAL A 44 -9.206 -2.661 -9.329 1.00 0.00 C ATOM 559 O VAL A 44 -8.811 -3.762 -9.705 1.00 0.00 O ATOM 560 CB VAL A 44 -11.301 -2.705 -10.708 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.080 -3.267 -9.522 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.230 -1.854 -11.570 1.00 0.00 C ATOM 0 H VAL A 44 -8.945 -1.987 -11.896 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.560 -1.033 -9.593 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.904 -3.527 -11.303 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.902 -3.883 -9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.417 -3.874 -8.906 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.478 -2.446 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.053 -2.469 -11.935 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.628 -1.032 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.674 -1.452 -12.417 1.00 0.00 H new ATOM 572 N LEU A 45 -8.845 -2.120 -8.163 1.00 0.00 N ATOM 573 CA LEU A 45 -7.952 -2.802 -7.247 1.00 0.00 C ATOM 574 C LEU A 45 -8.641 -2.999 -5.904 1.00 0.00 C ATOM 575 O LEU A 45 -9.313 -2.096 -5.410 1.00 0.00 O ATOM 576 CB LEU A 45 -6.673 -1.986 -7.084 1.00 0.00 C ATOM 577 CG LEU A 45 -6.828 -1.028 -5.907 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.449 -0.630 -5.389 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.581 0.220 -6.361 1.00 0.00 C ATOM 0 H LEU A 45 -9.164 -1.207 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.694 -3.783 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.824 -2.649 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.466 -1.427 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.387 -1.520 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.560 0.055 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.912 -1.521 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.889 -0.139 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.692 0.904 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.023 0.712 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.567 -0.064 -6.730 1.00 0.00 H new ATOM 591 N ALA A 46 -8.471 -4.184 -5.314 1.00 0.00 N ATOM 592 CA ALA A 46 -9.076 -4.494 -4.034 1.00 0.00 C ATOM 593 C ALA A 46 -8.135 -4.090 -2.908 1.00 0.00 C ATOM 594 O ALA A 46 -6.921 -4.051 -3.095 1.00 0.00 O ATOM 595 CB ALA A 46 -9.389 -5.986 -3.968 1.00 0.00 C ATOM 0 H ALA A 46 -7.916 -4.942 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.006 -3.936 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.844 -6.220 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.080 -6.249 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.467 -6.557 -4.082 1.00 0.00 H new ATOM 601 N CYS A 47 -8.699 -3.789 -1.736 1.00 0.00 N ATOM 602 CA CYS A 47 -7.911 -3.389 -0.588 1.00 0.00 C ATOM 603 C CYS A 47 -8.041 -4.432 0.513 1.00 0.00 C ATOM 604 O CYS A 47 -9.057 -5.118 0.605 1.00 0.00 O ATOM 605 CB CYS A 47 -8.383 -2.024 -0.097 1.00 0.00 C ATOM 606 SG CYS A 47 -7.678 -0.630 -1.011 1.00 0.00 S ATOM 0 H CYS A 47 -9.704 -3.818 -1.566 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.861 -3.315 -0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.470 -1.979 -0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.128 -1.920 0.958 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.507 -0.342 -0.527 1.00 0.00 H new ATOM 611 N ASN A 48 -7.007 -4.551 1.351 1.00 0.00 N ATOM 612 CA ASN A 48 -7.014 -5.509 2.438 1.00 0.00 C ATOM 613 C ASN A 48 -6.927 -4.780 3.772 1.00 0.00 C ATOM 614 O ASN A 48 -5.887 -4.221 4.110 1.00 0.00 O ATOM 615 CB ASN A 48 -5.842 -6.472 2.272 1.00 0.00 C ATOM 616 CG ASN A 48 -5.736 -7.410 3.467 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.659 -7.497 4.273 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.607 -8.114 3.577 1.00 0.00 N ATOM 0 H ASN A 48 -6.157 -3.990 1.289 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.943 -6.079 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.970 -7.053 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.915 -5.908 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.482 -8.759 4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.869 -8.006 2.881 1.00 0.00 H new ATOM 625 N PRO A 49 -8.026 -4.788 4.529 1.00 0.00 N ATOM 626 CA PRO A 49 -8.129 -4.151 5.825 1.00 0.00 C ATOM 627 C PRO A 49 -7.331 -4.945 6.849 1.00 0.00 C ATOM 628 O PRO A 49 -7.269 -4.569 8.017 1.00 0.00 O ATOM 629 CB PRO A 49 -9.620 -4.173 6.155 1.00 0.00 C ATOM 630 CG PRO A 49 -10.107 -5.431 5.437 1.00 0.00 C ATOM 631 CD PRO A 49 -9.267 -5.435 4.162 1.00 0.00 C ATOM 0 HA PRO A 49 -7.733 -3.136 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.796 -4.227 7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.128 -3.279 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.941 -6.328 6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.174 -5.386 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.093 -6.451 3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.769 -4.898 3.357 1.00 0.00 H new ATOM 639 N ALA A 50 -6.722 -6.049 6.408 1.00 0.00 N ATOM 640 CA ALA A 50 -5.936 -6.891 7.287 1.00 0.00 C ATOM 641 C ALA A 50 -4.520 -6.344 7.393 1.00 0.00 C ATOM 642 O ALA A 50 -3.745 -6.782 8.241 1.00 0.00 O ATOM 643 CB ALA A 50 -5.925 -8.318 6.747 1.00 0.00 C ATOM 0 H ALA A 50 -6.764 -6.374 5.442 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.378 -6.897 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.334 -8.952 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.946 -8.696 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.487 -8.326 5.749 1.00 0.00 H new ATOM 649 N ASP A 51 -4.182 -5.383 6.530 1.00 0.00 N ATOM 650 CA ASP A 51 -2.863 -4.784 6.531 1.00 0.00 C ATOM 651 C ASP A 51 -2.986 -3.267 6.497 1.00 0.00 C ATOM 652 O ASP A 51 -2.085 -2.580 6.023 1.00 0.00 O ATOM 653 CB ASP A 51 -2.074 -5.289 5.326 1.00 0.00 C ATOM 654 CG ASP A 51 -2.419 -6.740 5.021 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.909 -7.415 5.952 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.185 -7.147 3.863 1.00 0.00 O ATOM 0 H ASP A 51 -4.813 -5.008 5.822 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.332 -5.066 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.293 -4.668 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.006 -5.198 5.522 1.00 0.00 H new ATOM 661 N PHE A 52 -4.107 -2.745 7.002 1.00 0.00 N ATOM 662 CA PHE A 52 -4.339 -1.315 7.025 1.00 0.00 C ATOM 663 C PHE A 52 -3.668 -0.703 8.247 1.00 0.00 C ATOM 664 O PHE A 52 -4.164 -0.838 9.363 1.00 0.00 O ATOM 665 CB PHE A 52 -5.841 -1.046 7.041 1.00 0.00 C ATOM 666 CG PHE A 52 -6.268 0.044 6.087 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.636 1.293 6.122 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.294 -0.195 5.165 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.030 2.302 5.236 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.688 0.814 4.279 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.056 2.063 4.314 1.00 0.00 C ATOM 0 H PHE A 52 -4.865 -3.301 7.399 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.910 -0.858 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.369 -1.966 6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.142 -0.772 8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.844 1.478 6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.782 -1.158 5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.542 3.265 5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.480 0.629 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.360 2.842 3.630 1.00 0.00 H new ATOM 681 N SER A 53 -2.536 -0.028 8.032 1.00 0.00 N ATOM 682 CA SER A 53 -1.806 0.601 9.114 1.00 0.00 C ATOM 683 C SER A 53 -2.091 2.096 9.130 1.00 0.00 C ATOM 684 O SER A 53 -2.793 2.605 8.259 1.00 0.00 O ATOM 685 CB SER A 53 -0.313 0.337 8.940 1.00 0.00 C ATOM 686 OG SER A 53 0.402 0.990 9.965 1.00 0.00 O ATOM 0 H SER A 53 -2.111 0.092 7.112 1.00 0.00 H new ATOM 0 HA SER A 53 -2.128 0.181 10.067 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.116 -0.735 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.019 0.694 7.965 1.00 0.00 H new ATOM 0 HG SER A 53 1.361 0.819 9.855 1.00 0.00 H new ATOM 692 N SER A 54 -1.544 2.799 10.124 1.00 0.00 N ATOM 693 CA SER A 54 -1.740 4.230 10.245 1.00 0.00 C ATOM 694 C SER A 54 -0.483 4.878 10.807 1.00 0.00 C ATOM 695 O SER A 54 0.252 4.255 11.570 1.00 0.00 O ATOM 696 CB SER A 54 -2.940 4.502 11.149 1.00 0.00 C ATOM 697 OG SER A 54 -2.519 4.523 12.494 1.00 0.00 O ATOM 0 H SER A 54 -0.961 2.391 10.855 1.00 0.00 H new ATOM 0 HA SER A 54 -1.936 4.659 9.262 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.399 5.455 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.699 3.732 11.006 1.00 0.00 H new ATOM 0 HG SER A 54 -3.288 4.699 13.075 1.00 0.00 H new ATOM 703 N VAL A 55 -0.238 6.135 10.428 1.00 0.00 N ATOM 704 CA VAL A 55 0.926 6.861 10.895 1.00 0.00 C ATOM 705 C VAL A 55 0.775 8.340 10.568 1.00 0.00 C ATOM 706 O VAL A 55 0.080 8.700 9.621 1.00 0.00 O ATOM 707 CB VAL A 55 2.179 6.287 10.240 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.058 6.399 8.723 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.402 7.069 10.712 1.00 0.00 C ATOM 0 H VAL A 55 -0.838 6.665 9.796 1.00 0.00 H new ATOM 0 HA VAL A 55 1.017 6.755 11.976 1.00 0.00 H new ATOM 0 HB VAL A 55 2.287 5.239 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.953 5.989 8.255 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.184 5.841 8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.950 7.447 8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.298 6.660 10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.294 8.117 10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.489 6.989 11.796 1.00 0.00 H new ATOM 719 N THR A 56 1.429 9.198 11.355 1.00 0.00 N ATOM 720 CA THR A 56 1.362 10.629 11.140 1.00 0.00 C ATOM 721 C THR A 56 2.764 11.193 10.962 1.00 0.00 C ATOM 722 O THR A 56 3.665 10.883 11.739 1.00 0.00 O ATOM 723 CB THR A 56 0.662 11.288 12.326 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.669 10.827 12.401 1.00 0.00 O ATOM 725 CG2 THR A 56 0.666 12.803 12.142 1.00 0.00 C ATOM 0 H THR A 56 2.009 8.917 12.145 1.00 0.00 H new ATOM 0 HA THR A 56 0.792 10.837 10.235 1.00 0.00 H new ATOM 0 HB THR A 56 1.188 11.033 13.246 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.119 11.248 13.163 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.166 13.274 12.989 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.694 13.160 12.084 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.140 13.059 11.222 1.00 0.00 H new ATOM 733 N ALA A 57 2.948 12.024 9.933 1.00 0.00 N ATOM 734 CA ALA A 57 4.236 12.625 9.657 1.00 0.00 C ATOM 735 C ALA A 57 4.573 13.642 10.738 1.00 0.00 C ATOM 736 O ALA A 57 3.697 14.362 11.210 1.00 0.00 O ATOM 737 CB ALA A 57 4.203 13.288 8.282 1.00 0.00 C ATOM 0 H ALA A 57 2.211 12.291 9.280 1.00 0.00 H new ATOM 0 HA ALA A 57 5.008 11.856 9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.172 13.741 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.981 12.539 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.432 14.058 8.268 1.00 0.00 H new ATOM 743 N ASP A 58 5.848 13.699 11.130 1.00 0.00 N ATOM 744 CA ASP A 58 6.293 14.625 12.152 1.00 0.00 C ATOM 745 C ASP A 58 6.422 16.021 11.562 1.00 0.00 C ATOM 746 O ASP A 58 6.068 16.243 10.406 1.00 0.00 O ATOM 747 CB ASP A 58 7.628 14.152 12.720 1.00 0.00 C ATOM 748 CG ASP A 58 8.682 14.062 11.626 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.416 14.611 10.535 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.734 13.445 11.900 1.00 0.00 O ATOM 0 H ASP A 58 6.587 13.108 10.748 1.00 0.00 H new ATOM 0 HA ASP A 58 5.562 14.660 12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.962 14.840 13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.503 13.177 13.191 1.00 0.00 H new ATOM 755 N ALA A 59 6.930 16.964 12.359 1.00 0.00 N ATOM 756 CA ALA A 59 7.101 18.332 11.912 1.00 0.00 C ATOM 757 C ALA A 59 8.090 18.377 10.756 1.00 0.00 C ATOM 758 O ALA A 59 8.056 19.298 9.943 1.00 0.00 O ATOM 759 CB ALA A 59 7.591 19.188 13.077 1.00 0.00 C ATOM 0 H ALA A 59 7.229 16.796 13.320 1.00 0.00 H new ATOM 0 HA ALA A 59 6.147 18.727 11.563 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.720 20.217 12.743 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.859 19.158 13.884 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.544 18.801 13.437 1.00 0.00 H new ATOM 765 N ASN A 60 8.974 17.378 10.685 1.00 0.00 N ATOM 766 CA ASN A 60 9.965 17.311 9.630 1.00 0.00 C ATOM 767 C ASN A 60 9.313 16.847 8.334 1.00 0.00 C ATOM 768 O ASN A 60 9.949 16.844 7.283 1.00 0.00 O ATOM 769 CB ASN A 60 11.082 16.357 10.044 1.00 0.00 C ATOM 770 CG ASN A 60 12.204 17.107 10.746 1.00 0.00 C ATOM 771 OD1 ASN A 60 11.960 18.110 11.413 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.437 16.618 10.597 1.00 0.00 N ATOM 0 H ASN A 60 9.016 16.607 11.352 1.00 0.00 H new ATOM 0 HA ASN A 60 10.391 18.301 9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.683 15.589 10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.475 15.847 9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.227 17.080 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.589 15.782 10.033 1.00 0.00 H new ATOM 779 N GLY A 61 8.039 16.456 8.412 1.00 0.00 N ATOM 780 CA GLY A 61 7.313 15.995 7.245 1.00 0.00 C ATOM 781 C GLY A 61 7.766 14.593 6.862 1.00 0.00 C ATOM 782 O GLY A 61 7.755 14.233 5.687 1.00 0.00 O ATOM 0 H GLY A 61 7.496 16.452 9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.243 15.995 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.478 16.678 6.412 1.00 0.00 H new ATOM 786 N SER A 62 8.166 13.800 7.859 1.00 0.00 N ATOM 787 CA SER A 62 8.619 12.444 7.622 1.00 0.00 C ATOM 788 C SER A 62 7.848 11.479 8.511 1.00 0.00 C ATOM 789 O SER A 62 7.622 11.760 9.686 1.00 0.00 O ATOM 790 CB SER A 62 10.117 12.354 7.897 1.00 0.00 C ATOM 791 OG SER A 62 10.373 12.728 9.233 1.00 0.00 O ATOM 0 H SER A 62 8.182 14.083 8.839 1.00 0.00 H new ATOM 0 HA SER A 62 8.437 12.172 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.470 11.338 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.663 13.006 7.215 1.00 0.00 H new ATOM 0 HG SER A 62 11.335 12.669 9.411 1.00 0.00 H new ATOM 797 N ALA A 63 7.446 10.338 7.947 1.00 0.00 N ATOM 798 CA ALA A 63 6.705 9.338 8.689 1.00 0.00 C ATOM 799 C ALA A 63 7.452 8.013 8.657 1.00 0.00 C ATOM 800 O ALA A 63 8.364 7.831 7.853 1.00 0.00 O ATOM 801 CB ALA A 63 5.311 9.188 8.085 1.00 0.00 C ATOM 0 H ALA A 63 7.626 10.091 6.974 1.00 0.00 H new ATOM 0 HA ALA A 63 6.605 9.650 9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.752 8.436 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.787 10.142 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.397 8.878 7.043 1.00 0.00 H new ATOM 807 N SER A 64 7.064 7.085 9.535 1.00 0.00 N ATOM 808 CA SER A 64 7.698 5.784 9.602 1.00 0.00 C ATOM 809 C SER A 64 6.680 4.734 10.024 1.00 0.00 C ATOM 810 O SER A 64 6.098 4.828 11.102 1.00 0.00 O ATOM 811 CB SER A 64 8.862 5.836 10.588 1.00 0.00 C ATOM 812 OG SER A 64 8.397 5.513 11.879 1.00 0.00 O ATOM 0 H SER A 64 6.310 7.220 10.208 1.00 0.00 H new ATOM 0 HA SER A 64 8.083 5.513 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.641 5.137 10.285 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.308 6.830 10.589 1.00 0.00 H new ATOM 0 HG SER A 64 7.418 5.563 11.896 1.00 0.00 H new ATOM 818 N THR A 65 6.466 3.730 9.170 1.00 0.00 N ATOM 819 CA THR A 65 5.522 2.670 9.463 1.00 0.00 C ATOM 820 C THR A 65 5.866 1.430 8.651 1.00 0.00 C ATOM 821 O THR A 65 6.373 1.535 7.536 1.00 0.00 O ATOM 822 CB THR A 65 4.108 3.149 9.145 1.00 0.00 C ATOM 823 OG1 THR A 65 3.344 3.174 10.330 1.00 0.00 O ATOM 824 CG2 THR A 65 3.461 2.196 8.143 1.00 0.00 C ATOM 0 H THR A 65 6.939 3.637 8.271 1.00 0.00 H new ATOM 0 HA THR A 65 5.577 2.412 10.521 1.00 0.00 H new ATOM 0 HB THR A 65 4.151 4.151 8.718 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.835 3.660 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.451 2.538 7.916 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.052 2.175 7.227 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.417 1.194 8.570 1.00 0.00 H new ATOM 832 N SER A 66 5.589 0.252 9.213 1.00 0.00 N ATOM 833 CA SER A 66 5.869 -1.001 8.540 1.00 0.00 C ATOM 834 C SER A 66 4.564 -1.685 8.159 1.00 0.00 C ATOM 835 O SER A 66 3.674 -1.839 8.992 1.00 0.00 O ATOM 836 CB SER A 66 6.701 -1.894 9.455 1.00 0.00 C ATOM 837 OG SER A 66 7.227 -1.124 10.512 1.00 0.00 O ATOM 0 H SER A 66 5.169 0.148 10.137 1.00 0.00 H new ATOM 0 HA SER A 66 6.435 -0.810 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.085 -2.702 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.510 -2.357 8.891 1.00 0.00 H new ATOM 0 HG SER A 66 7.760 -1.698 11.101 1.00 0.00 H new ATOM 843 N LEU A 67 4.452 -2.097 6.894 1.00 0.00 N ATOM 844 CA LEU A 67 3.259 -2.763 6.409 1.00 0.00 C ATOM 845 C LEU A 67 3.475 -4.270 6.404 1.00 0.00 C ATOM 846 O LEU A 67 4.611 -4.737 6.366 1.00 0.00 O ATOM 847 CB LEU A 67 2.931 -2.260 5.006 1.00 0.00 C ATOM 848 CG LEU A 67 1.418 -2.150 4.846 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.076 -0.867 4.095 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.900 -3.353 4.062 1.00 0.00 C ATOM 0 H LEU A 67 5.181 -1.977 6.191 1.00 0.00 H new ATOM 0 HA LEU A 67 2.420 -2.538 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.397 -1.289 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.338 -2.942 4.259 1.00 0.00 H new ATOM 0 HG LEU A 67 0.950 -2.129 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.005 -0.789 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.445 -0.008 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.544 -0.886 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.181 -3.275 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.368 -3.375 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.142 -4.270 4.600 1.00 0.00 H new ATOM 862 N THR A 68 2.380 -5.032 6.443 1.00 0.00 N ATOM 863 CA THR A 68 2.458 -6.479 6.441 1.00 0.00 C ATOM 864 C THR A 68 2.164 -7.013 5.047 1.00 0.00 C ATOM 865 O THR A 68 1.079 -6.797 4.513 1.00 0.00 O ATOM 866 CB THR A 68 1.468 -7.042 7.456 1.00 0.00 C ATOM 867 OG1 THR A 68 1.403 -8.444 7.321 1.00 0.00 O ATOM 868 CG2 THR A 68 0.087 -6.443 7.206 1.00 0.00 C ATOM 0 H THR A 68 1.430 -4.662 6.476 1.00 0.00 H new ATOM 0 HA THR A 68 3.464 -6.792 6.721 1.00 0.00 H new ATOM 0 HB THR A 68 1.797 -6.788 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.670 -8.867 8.164 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.621 -6.845 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.136 -5.359 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.243 -6.696 6.198 1.00 0.00 H new ATOM 876 N VAL A 69 3.136 -7.714 4.458 1.00 0.00 N ATOM 877 CA VAL A 69 2.979 -8.275 3.132 1.00 0.00 C ATOM 878 C VAL A 69 2.185 -9.571 3.213 1.00 0.00 C ATOM 879 O VAL A 69 2.532 -10.467 3.979 1.00 0.00 O ATOM 880 CB VAL A 69 4.354 -8.520 2.517 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.349 -9.852 1.773 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.683 -7.393 1.542 1.00 0.00 C ATOM 0 H VAL A 69 4.041 -7.902 4.889 1.00 0.00 H new ATOM 0 HA VAL A 69 2.433 -7.576 2.499 1.00 0.00 H new ATOM 0 HB VAL A 69 5.105 -8.548 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.331 -10.027 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.114 -10.657 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.598 -9.825 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.665 -7.567 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.932 -7.364 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.687 -6.442 2.074 1.00 0.00 H new ATOM 892 N ARG A 70 1.116 -9.670 2.419 1.00 0.00 N ATOM 893 CA ARG A 70 0.280 -10.853 2.404 1.00 0.00 C ATOM 894 C ARG A 70 0.298 -11.480 1.018 1.00 0.00 C ATOM 895 O ARG A 70 0.501 -10.787 0.023 1.00 0.00 O ATOM 896 CB ARG A 70 -1.142 -10.474 2.807 1.00 0.00 C ATOM 897 CG ARG A 70 -1.295 -10.606 4.320 1.00 0.00 C ATOM 898 CD ARG A 70 -0.082 -9.988 5.010 1.00 0.00 C ATOM 899 NE ARG A 70 -0.375 -9.678 6.409 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.246 -10.577 7.394 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.169 -11.821 7.116 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.531 -10.233 8.658 1.00 0.00 N ATOM 0 H ARG A 70 0.815 -8.936 1.778 1.00 0.00 H new ATOM 0 HA ARG A 70 0.664 -11.583 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.359 -9.452 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.859 -11.120 2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.207 -10.108 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.388 -11.656 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.761 -10.676 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.214 -9.079 4.487 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.691 -8.737 6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.387 -12.083 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.267 -12.505 7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.846 -9.286 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.433 -10.918 9.407 1.00 0.00 H new ATOM 916 N ARG A 71 0.085 -12.797 0.954 1.00 0.00 N ATOM 917 CA ARG A 71 0.079 -13.510 -0.307 1.00 0.00 C ATOM 918 C ARG A 71 -1.338 -13.564 -0.862 1.00 0.00 C ATOM 919 O ARG A 71 -1.539 -13.913 -2.023 1.00 0.00 O ATOM 920 CB ARG A 71 0.630 -14.917 -0.097 1.00 0.00 C ATOM 921 CG ARG A 71 -0.507 -15.857 0.293 1.00 0.00 C ATOM 922 CD ARG A 71 -1.040 -15.467 1.669 1.00 0.00 C ATOM 923 NE ARG A 71 -2.033 -16.432 2.141 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.479 -16.456 3.404 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.015 -15.569 4.295 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.390 -17.366 3.776 1.00 0.00 N ATOM 0 H ARG A 71 -0.085 -13.385 1.770 1.00 0.00 H new ATOM 0 HA ARG A 71 0.711 -12.990 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.111 -15.270 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.392 -14.908 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.306 -15.805 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.152 -16.888 0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.215 -15.412 2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.487 -14.474 1.621 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.402 -17.116 1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.322 -14.876 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.354 -15.587 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.744 -18.040 3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.729 -17.384 4.738 1.00 0.00 H new ATOM 940 N SER A 72 -2.321 -13.216 -0.028 1.00 0.00 N ATOM 941 CA SER A 72 -3.710 -13.225 -0.440 1.00 0.00 C ATOM 942 C SER A 72 -4.566 -12.537 0.613 1.00 0.00 C ATOM 943 O SER A 72 -4.225 -12.544 1.794 1.00 0.00 O ATOM 944 CB SER A 72 -4.167 -14.666 -0.652 1.00 0.00 C ATOM 945 OG SER A 72 -5.323 -14.677 -1.460 1.00 0.00 O ATOM 0 H SER A 72 -2.171 -12.925 0.938 1.00 0.00 H new ATOM 0 HA SER A 72 -3.818 -12.681 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.374 -15.245 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.377 -15.138 0.308 1.00 0.00 H new ATOM 0 HG SER A 72 -5.169 -14.130 -2.258 1.00 0.00 H new ATOM 951 N PHE A 73 -5.682 -11.943 0.184 1.00 0.00 N ATOM 952 CA PHE A 73 -6.579 -11.257 1.092 1.00 0.00 C ATOM 953 C PHE A 73 -7.792 -10.744 0.330 1.00 0.00 C ATOM 954 O PHE A 73 -7.722 -10.523 -0.877 1.00 0.00 O ATOM 955 CB PHE A 73 -5.836 -10.106 1.765 1.00 0.00 C ATOM 956 CG PHE A 73 -4.957 -9.321 0.821 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.533 -8.577 -0.215 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.567 -9.336 0.983 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.719 -7.847 -1.090 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.752 -8.606 0.109 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.328 -7.862 -0.927 1.00 0.00 C ATOM 0 H PHE A 73 -5.979 -11.928 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.924 -11.949 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.562 -9.431 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.223 -10.504 2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.606 -8.566 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.123 -9.911 1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.163 -7.273 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.679 -8.617 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.700 -7.299 -1.601 1.00 0.00 H new ATOM 971 N GLU A 74 -8.908 -10.555 1.038 1.00 0.00 N ATOM 972 CA GLU A 74 -10.127 -10.069 0.424 1.00 0.00 C ATOM 973 C GLU A 74 -9.864 -8.742 -0.275 1.00 0.00 C ATOM 974 O GLU A 74 -9.531 -7.752 0.373 1.00 0.00 O ATOM 975 CB GLU A 74 -11.206 -9.913 1.491 1.00 0.00 C ATOM 976 CG GLU A 74 -10.594 -9.303 2.749 1.00 0.00 C ATOM 977 CD GLU A 74 -10.635 -10.290 3.907 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.764 -10.648 4.307 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.537 -10.667 4.370 1.00 0.00 O ATOM 0 H GLU A 74 -8.984 -10.734 2.039 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.471 -10.786 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.010 -9.277 1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.647 -10.883 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.563 -9.011 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.136 -8.397 3.019 1.00 0.00 H new ATOM 986 N GLY A 75 -10.014 -8.723 -1.601 1.00 0.00 N ATOM 987 CA GLY A 75 -9.792 -7.518 -2.375 1.00 0.00 C ATOM 988 C GLY A 75 -10.928 -6.530 -2.150 1.00 0.00 C ATOM 989 O GLY A 75 -11.936 -6.569 -2.852 1.00 0.00 O ATOM 0 H GLY A 75 -10.289 -9.534 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.843 -7.063 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.721 -7.766 -3.434 1.00 0.00 H new ATOM 993 N PHE A 76 -10.763 -5.641 -1.167 1.00 0.00 N ATOM 994 CA PHE A 76 -11.773 -4.650 -0.857 1.00 0.00 C ATOM 995 C PHE A 76 -11.634 -3.459 -1.795 1.00 0.00 C ATOM 996 O PHE A 76 -10.791 -2.592 -1.579 1.00 0.00 O ATOM 997 CB PHE A 76 -11.626 -4.214 0.598 1.00 0.00 C ATOM 998 CG PHE A 76 -12.760 -4.675 1.483 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.041 -4.136 1.317 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.529 -5.643 2.468 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.092 -4.566 2.136 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.580 -6.072 3.287 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.861 -5.533 3.121 1.00 0.00 C ATOM 0 H PHE A 76 -9.933 -5.595 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.765 -5.080 -0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.687 -4.603 0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.563 -3.127 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.219 -3.389 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.540 -6.058 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.081 -4.151 2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.402 -6.819 4.047 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.672 -5.864 3.753 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.465 -3.419 -2.839 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.431 -2.337 -3.803 1.00 0.00 C ATOM 1015 C LEU A 77 -12.597 -1.004 -3.089 1.00 0.00 C ATOM 1016 O LEU A 77 -13.461 -0.862 -2.226 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.538 -2.539 -4.834 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.043 -1.181 -5.310 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.936 -0.467 -6.080 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.252 -1.379 -6.221 1.00 0.00 C ATOM 0 H LEU A 77 -13.170 -4.131 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.470 -2.334 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.162 -3.116 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.357 -3.111 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.332 -0.578 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.297 0.504 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.073 -0.325 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.646 -1.068 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.614 -0.409 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.964 -1.982 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.043 -1.888 -5.670 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.765 -0.023 -3.449 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.826 1.291 -2.842 1.00 0.00 C ATOM 1034 C PHE A 78 -13.271 1.766 -2.782 1.00 0.00 C ATOM 1035 O PHE A 78 -13.682 2.387 -1.805 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.969 2.263 -3.648 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.608 2.512 -3.042 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.651 1.491 -3.027 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.305 3.764 -2.493 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.391 1.721 -2.463 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.045 3.994 -1.929 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.087 2.973 -1.915 1.00 0.00 C ATOM 0 H PHE A 78 -11.042 -0.124 -4.161 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.439 1.244 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.842 1.872 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.497 3.212 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.885 0.525 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.043 4.552 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.653 0.933 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.812 4.959 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.114 3.151 -1.482 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.041 1.473 -3.833 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.433 1.872 -3.895 1.00 0.00 C ATOM 1054 C ASP A 79 -16.182 1.315 -2.693 1.00 0.00 C ATOM 1055 O ASP A 79 -17.273 1.779 -2.370 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.048 1.369 -5.197 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.980 2.412 -5.797 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.840 3.590 -5.406 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.814 2.011 -6.637 1.00 0.00 O ATOM 0 H ASP A 79 -13.714 0.959 -4.651 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.506 2.959 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.258 1.130 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.599 0.447 -5.011 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.594 0.316 -2.030 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.213 -0.295 -0.870 1.00 0.00 C ATOM 1066 C GLY A 80 -16.955 -1.561 -1.274 1.00 0.00 C ATOM 1067 O GLY A 80 -17.932 -1.942 -0.633 1.00 0.00 O ATOM 0 H GLY A 80 -14.689 -0.081 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.453 -0.532 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.905 0.408 -0.406 1.00 0.00 H new ATOM 1071 N THR A 81 -16.488 -2.214 -2.341 1.00 0.00 N ATOM 1072 CA THR A 81 -17.110 -3.432 -2.820 1.00 0.00 C ATOM 1073 C THR A 81 -16.160 -4.607 -2.637 1.00 0.00 C ATOM 1074 O THR A 81 -14.952 -4.465 -2.810 1.00 0.00 O ATOM 1075 CB THR A 81 -17.486 -3.265 -4.290 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.756 -2.659 -4.384 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.525 -4.634 -4.963 1.00 0.00 C ATOM 0 H THR A 81 -15.679 -1.912 -2.884 1.00 0.00 H new ATOM 0 HA THR A 81 -18.015 -3.631 -2.246 1.00 0.00 H new ATOM 0 HB THR A 81 -16.746 -2.637 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.997 -2.550 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.793 -4.516 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.544 -5.103 -4.890 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.266 -5.262 -4.468 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.711 -5.771 -2.285 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.913 -6.963 -2.079 1.00 0.00 C ATOM 1087 C ARG A 82 -15.596 -7.609 -3.420 1.00 0.00 C ATOM 1088 O ARG A 82 -16.393 -8.385 -3.942 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.674 -7.933 -1.179 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.096 -7.876 0.233 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.363 -9.199 0.946 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.673 -9.189 1.598 1.00 0.00 N ATOM 1093 CZ ARG A 82 -18.145 -10.233 2.292 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.410 -11.346 2.412 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -19.354 -10.164 2.866 1.00 0.00 N ATOM 0 H ARG A 82 -17.711 -5.905 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.973 -6.698 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.733 -7.675 -1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.600 -8.946 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.024 -7.683 0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.546 -7.054 0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.316 -10.018 0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.585 -9.380 1.688 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.251 -8.352 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.490 -11.399 1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.770 -12.140 2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.914 -9.317 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.714 -10.959 3.395 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.426 -7.287 -3.978 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.014 -7.840 -5.252 1.00 0.00 C ATOM 1111 C TRP A 83 -13.834 -9.347 -5.130 1.00 0.00 C ATOM 1112 O TRP A 83 -14.485 -10.112 -5.838 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.714 -7.175 -5.697 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.270 -7.525 -7.081 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.194 -8.283 -7.388 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.867 -7.146 -8.359 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.085 -8.397 -8.757 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.093 -7.714 -9.406 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.983 -6.379 -8.739 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.407 -7.533 -10.756 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.307 -6.191 -10.091 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.523 -6.765 -11.099 1.00 0.00 C ATOM 0 H TRP A 83 -13.753 -6.645 -3.560 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.782 -7.647 -6.001 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.835 -6.094 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.924 -7.449 -4.997 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.522 -8.731 -6.670 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.350 -8.921 -9.232 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.601 -5.927 -7.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.795 -7.981 -11.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.169 -5.598 -10.357 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.780 -6.615 -12.137 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.948 -9.773 -4.226 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.691 -11.184 -4.019 1.00 0.00 C ATOM 1135 C GLY A 84 -11.292 -11.388 -3.454 1.00 0.00 C ATOM 1136 O GLY A 84 -10.481 -10.465 -3.449 1.00 0.00 O ATOM 0 H GLY A 84 -12.400 -9.153 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.431 -11.599 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.792 -11.721 -4.962 1.00 0.00 H new ATOM 1140 N THR A 85 -11.011 -12.602 -2.975 1.00 0.00 N ATOM 1141 CA THR A 85 -9.714 -12.917 -2.412 1.00 0.00 C ATOM 1142 C THR A 85 -8.638 -12.777 -3.479 1.00 0.00 C ATOM 1143 O THR A 85 -8.556 -13.594 -4.393 1.00 0.00 O ATOM 1144 CB THR A 85 -9.736 -14.335 -1.849 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.046 -14.658 -1.439 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.792 -14.423 -0.653 1.00 0.00 C ATOM 0 H THR A 85 -11.672 -13.379 -2.970 1.00 0.00 H new ATOM 0 HA THR A 85 -9.487 -12.222 -1.604 1.00 0.00 H new ATOM 0 HB THR A 85 -9.413 -15.036 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.061 -15.569 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.808 -15.436 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.779 -14.174 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.114 -13.722 0.117 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.810 -11.736 -3.359 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.744 -11.493 -4.310 1.00 0.00 C ATOM 1156 C VAL A 86 -5.542 -12.363 -3.970 1.00 0.00 C ATOM 1157 O VAL A 86 -5.254 -12.595 -2.798 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.367 -10.015 -4.284 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.339 -9.732 -5.376 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.613 -9.168 -4.527 1.00 0.00 C ATOM 0 H VAL A 86 -7.865 -11.050 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.081 -11.750 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.942 -9.766 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.070 -8.676 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.449 -10.337 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.763 -9.981 -6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.344 -8.112 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.038 -9.417 -5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.347 -9.369 -3.747 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.841 -12.844 -4.998 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.676 -13.685 -4.803 1.00 0.00 C ATOM 1172 C ASP A 87 -2.416 -12.907 -5.152 1.00 0.00 C ATOM 1173 O ASP A 87 -2.010 -12.869 -6.312 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.800 -14.933 -5.671 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.437 -16.076 -4.892 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.647 -15.960 -4.603 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.701 -17.044 -4.602 1.00 0.00 O ATOM 0 H ASP A 87 -5.067 -12.660 -5.975 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.613 -13.991 -3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.401 -14.709 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.814 -15.234 -6.025 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.796 -12.286 -4.146 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.588 -11.514 -4.351 1.00 0.00 C ATOM 1184 C CYS A 88 0.439 -12.354 -5.097 1.00 0.00 C ATOM 1185 O CYS A 88 1.304 -11.814 -5.783 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.038 -11.062 -3.000 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.978 -9.716 -2.238 1.00 0.00 S ATOM 0 H CYS A 88 -2.120 -12.309 -3.179 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.812 -10.632 -4.951 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.026 -11.914 -2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.996 -10.742 -3.128 1.00 0.00 H new ATOM 1192 N THR A 89 0.343 -13.678 -4.962 1.00 0.00 N ATOM 1193 CA THR A 89 1.263 -14.580 -5.625 1.00 0.00 C ATOM 1194 C THR A 89 0.857 -14.758 -7.081 1.00 0.00 C ATOM 1195 O THR A 89 1.534 -15.451 -7.837 1.00 0.00 O ATOM 1196 CB THR A 89 1.271 -15.922 -4.899 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.025 -16.477 -4.923 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.708 -15.715 -3.451 1.00 0.00 C ATOM 0 H THR A 89 -0.367 -14.142 -4.396 1.00 0.00 H new ATOM 0 HA THR A 89 2.269 -14.160 -5.599 1.00 0.00 H new ATOM 0 HB THR A 89 1.966 -16.599 -5.395 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.020 -17.340 -4.458 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.714 -16.674 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.710 -15.286 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.013 -15.038 -2.954 1.00 0.00 H new ATOM 1206 N THR A 90 -0.253 -14.128 -7.474 1.00 0.00 N ATOM 1207 CA THR A 90 -0.739 -14.221 -8.836 1.00 0.00 C ATOM 1208 C THR A 90 -0.708 -12.848 -9.492 1.00 0.00 C ATOM 1209 O THR A 90 -0.577 -12.741 -10.709 1.00 0.00 O ATOM 1210 CB THR A 90 -2.156 -14.786 -8.831 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.100 -16.194 -8.783 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.882 -14.349 -10.101 1.00 0.00 C ATOM 0 H THR A 90 -0.827 -13.549 -6.861 1.00 0.00 H new ATOM 0 HA THR A 90 -0.097 -14.889 -9.410 1.00 0.00 H new ATOM 0 HB THR A 90 -2.693 -14.414 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.010 -16.558 -8.778 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.895 -14.752 -10.098 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.925 -13.261 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.345 -14.722 -10.973 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.829 -11.795 -8.680 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.816 -10.436 -9.183 1.00 0.00 C ATOM 1222 C ALA A 91 0.192 -9.606 -8.401 1.00 0.00 C ATOM 1223 O ALA A 91 0.890 -10.129 -7.535 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.215 -9.838 -9.068 1.00 0.00 C ATOM 0 H ALA A 91 -0.937 -11.867 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.521 -10.435 -10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.206 -8.816 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.915 -10.435 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.525 -9.836 -8.023 1.00 0.00 H new ATOM 1230 N ALA A 92 0.266 -8.309 -8.707 1.00 0.00 N ATOM 1231 CA ALA A 92 1.187 -7.416 -8.034 1.00 0.00 C ATOM 1232 C ALA A 92 0.448 -6.626 -6.963 1.00 0.00 C ATOM 1233 O ALA A 92 -0.556 -5.978 -7.249 1.00 0.00 O ATOM 1234 CB ALA A 92 1.823 -6.478 -9.055 1.00 0.00 C ATOM 0 H ALA A 92 -0.307 -7.860 -9.421 1.00 0.00 H new ATOM 0 HA ALA A 92 1.975 -7.995 -7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.516 -5.806 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.363 -7.063 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.045 -5.894 -9.547 1.00 0.00 H new ATOM 1240 N CYS A 93 0.948 -6.681 -5.726 1.00 0.00 N ATOM 1241 CA CYS A 93 0.336 -5.973 -4.620 1.00 0.00 C ATOM 1242 C CYS A 93 1.149 -4.728 -4.293 1.00 0.00 C ATOM 1243 O CYS A 93 2.352 -4.688 -4.541 1.00 0.00 O ATOM 1244 CB CYS A 93 0.250 -6.897 -3.410 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.982 -8.213 -3.575 1.00 0.00 S ATOM 0 H CYS A 93 1.780 -7.214 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.672 -5.663 -4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.228 -7.348 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.015 -6.302 -2.527 1.00 0.00 H new ATOM 1250 N GLN A 94 0.488 -3.711 -3.733 1.00 0.00 N ATOM 1251 CA GLN A 94 1.152 -2.474 -3.377 1.00 0.00 C ATOM 1252 C GLN A 94 0.569 -1.929 -2.080 1.00 0.00 C ATOM 1253 O GLN A 94 -0.611 -2.126 -1.798 1.00 0.00 O ATOM 1254 CB GLN A 94 0.986 -1.465 -4.510 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.156 -0.509 -4.178 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.757 0.079 -5.446 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -1.236 -0.655 -6.307 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.730 1.409 -5.560 1.00 0.00 N ATOM 0 H GLN A 94 -0.509 -3.730 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 94 2.215 -2.659 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.911 -0.907 -4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.779 -1.984 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.927 -1.037 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.211 0.294 -3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.321 1.976 -4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.118 1.858 -6.390 1.00 0.00 H new ATOM 1267 N VAL A 95 1.400 -1.243 -1.292 1.00 0.00 N ATOM 1268 CA VAL A 95 0.964 -0.675 -0.033 1.00 0.00 C ATOM 1269 C VAL A 95 0.966 0.844 -0.125 1.00 0.00 C ATOM 1270 O VAL A 95 1.609 1.413 -1.005 1.00 0.00 O ATOM 1271 CB VAL A 95 1.888 -1.150 1.086 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.800 -0.184 2.263 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.462 -2.544 1.538 1.00 0.00 C ATOM 0 H VAL A 95 2.381 -1.072 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.051 -1.005 0.187 1.00 0.00 H new ATOM 0 HB VAL A 95 2.914 -1.184 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.460 -0.523 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.103 0.812 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.774 -0.150 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.121 -2.885 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.436 -2.510 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.525 -3.234 0.697 1.00 0.00 H new ATOM 1283 N GLY A 96 0.245 1.502 0.785 1.00 0.00 N ATOM 1284 CA GLY A 96 0.171 2.949 0.797 1.00 0.00 C ATOM 1285 C GLY A 96 -0.679 3.425 1.967 1.00 0.00 C ATOM 1286 O GLY A 96 -1.314 2.619 2.644 1.00 0.00 O ATOM 0 H GLY A 96 -0.294 1.047 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.173 3.371 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.256 3.306 -0.140 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.689 4.739 2.204 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.459 5.315 3.288 1.00 0.00 C ATOM 1292 C LEU A 97 -2.287 6.483 2.771 1.00 0.00 C ATOM 1293 O LEU A 97 -1.788 7.313 2.014 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.513 5.772 4.395 1.00 0.00 C ATOM 1295 CG LEU A 97 0.394 6.878 3.865 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.536 7.970 4.921 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.769 6.298 3.544 1.00 0.00 C ATOM 0 H LEU A 97 -0.167 5.420 1.652 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.139 4.566 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.084 6.134 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.087 4.932 4.745 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.041 7.303 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.184 8.760 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.446 8.384 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.971 7.546 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.418 7.088 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.205 5.873 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.668 5.518 2.789 1.00 0.00 H new ATOM 1309 N SER A 98 -3.556 6.544 3.180 1.00 0.00 N ATOM 1310 CA SER A 98 -4.443 7.609 2.758 1.00 0.00 C ATOM 1311 C SER A 98 -4.857 8.445 3.961 1.00 0.00 C ATOM 1312 O SER A 98 -4.851 7.958 5.090 1.00 0.00 O ATOM 1313 CB SER A 98 -5.666 7.007 2.071 1.00 0.00 C ATOM 1314 OG SER A 98 -6.474 6.363 3.030 1.00 0.00 O ATOM 0 H SER A 98 -3.985 5.862 3.805 1.00 0.00 H new ATOM 0 HA SER A 98 -3.927 8.259 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.234 7.788 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.354 6.296 1.306 1.00 0.00 H new ATOM 0 HG SER A 98 -7.260 5.978 2.590 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.219 9.706 3.717 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.634 10.601 4.779 1.00 0.00 C ATOM 1322 C ASP A 99 -7.096 10.979 4.592 1.00 0.00 C ATOM 1323 O ASP A 99 -7.802 10.361 3.798 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.749 11.844 4.769 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.367 12.945 3.919 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.252 12.837 2.679 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.942 13.875 4.525 1.00 0.00 O ATOM 0 H ASP A 99 -5.230 10.124 2.787 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.528 10.103 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.607 12.203 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.763 11.590 4.381 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.551 11.997 5.327 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.924 12.449 5.240 1.00 0.00 C ATOM 1334 C ALA A 100 -9.201 12.991 3.844 1.00 0.00 C ATOM 1335 O ALA A 100 -10.197 12.628 3.222 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.173 13.522 6.296 1.00 0.00 C ATOM 0 H ALA A 100 -6.978 12.520 5.989 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.599 11.613 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.206 13.863 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.989 13.107 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.502 14.364 6.125 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.316 13.862 3.354 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.470 14.449 2.038 1.00 0.00 C ATOM 1344 C ALA A 101 -8.320 13.372 0.973 1.00 0.00 C ATOM 1345 O ALA A 101 -8.823 13.521 -0.138 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.428 15.547 1.847 1.00 0.00 C ATOM 0 H ALA A 101 -7.485 14.172 3.858 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.463 14.889 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.543 15.989 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.567 16.316 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.429 15.121 1.940 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.624 12.284 1.313 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.414 11.193 0.382 1.00 0.00 C ATOM 1354 C GLY A 102 -6.105 11.386 -0.370 1.00 0.00 C ATOM 1355 O GLY A 102 -6.084 11.369 -1.599 1.00 0.00 O ATOM 0 H GLY A 102 -7.199 12.143 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.396 10.245 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.243 11.143 -0.324 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.011 11.571 0.372 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.706 11.766 -0.228 1.00 0.00 C ATOM 1361 C ASN A 103 -2.681 10.873 0.457 1.00 0.00 C ATOM 1362 O ASN A 103 -2.965 10.282 1.496 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.308 13.234 -0.111 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.374 13.451 1.071 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.287 14.001 0.913 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.802 13.018 2.260 1.00 0.00 N ATOM 0 H ASN A 103 -5.012 11.589 1.392 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.744 11.495 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.819 13.557 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.200 13.849 0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.218 13.139 3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.713 12.567 2.341 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.485 10.775 -0.128 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.429 9.956 0.431 1.00 0.00 C ATOM 1375 C GLY A 104 0.861 10.151 -0.353 1.00 0.00 C ATOM 1376 O GLY A 104 0.884 10.874 -1.346 1.00 0.00 O ATOM 0 H GLY A 104 -1.232 11.257 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.270 10.219 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.722 8.906 0.407 1.00 0.00 H new ATOM 1380 N PRO A 105 1.938 9.502 0.097 1.00 0.00 N ATOM 1381 CA PRO A 105 3.246 9.567 -0.518 1.00 0.00 C ATOM 1382 C PRO A 105 3.234 8.786 -1.825 1.00 0.00 C ATOM 1383 O PRO A 105 2.351 7.962 -2.049 1.00 0.00 O ATOM 1384 CB PRO A 105 4.188 8.923 0.496 1.00 0.00 C ATOM 1385 CG PRO A 105 3.286 7.913 1.203 1.00 0.00 C ATOM 1386 CD PRO A 105 1.947 8.644 1.262 1.00 0.00 C ATOM 0 HA PRO A 105 3.552 10.585 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.035 8.438 0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.596 9.656 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.213 6.978 0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.657 7.666 2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.113 7.942 1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.854 9.224 2.180 1.00 0.00 H new ATOM 1394 N GLU A 106 4.219 9.047 -2.688 1.00 0.00 N ATOM 1395 CA GLU A 106 4.313 8.368 -3.964 1.00 0.00 C ATOM 1396 C GLU A 106 3.915 6.907 -3.806 1.00 0.00 C ATOM 1397 O GLU A 106 4.506 6.183 -3.007 1.00 0.00 O ATOM 1398 CB GLU A 106 5.738 8.485 -4.497 1.00 0.00 C ATOM 1399 CG GLU A 106 6.691 7.734 -3.572 1.00 0.00 C ATOM 1400 CD GLU A 106 8.123 8.214 -3.761 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.581 8.188 -4.924 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.732 8.598 -2.740 1.00 0.00 O ATOM 0 H GLU A 106 4.960 9.727 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 106 3.632 8.833 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.795 8.075 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.028 9.534 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.388 7.880 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.632 6.664 -3.774 1.00 0.00 H new ATOM 1409 N GLY A 107 2.911 6.473 -4.571 1.00 0.00 N ATOM 1410 CA GLY A 107 2.444 5.102 -4.509 1.00 0.00 C ATOM 1411 C GLY A 107 3.619 4.154 -4.313 1.00 0.00 C ATOM 1412 O GLY A 107 4.755 4.494 -4.632 1.00 0.00 O ATOM 0 H GLY A 107 2.410 7.059 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.735 4.988 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.913 4.849 -5.427 1.00 0.00 H new ATOM 1416 N VAL A 108 3.340 2.959 -3.785 1.00 0.00 N ATOM 1417 CA VAL A 108 4.371 1.969 -3.549 1.00 0.00 C ATOM 1418 C VAL A 108 4.005 0.668 -4.249 1.00 0.00 C ATOM 1419 O VAL A 108 3.136 -0.066 -3.784 1.00 0.00 O ATOM 1420 CB VAL A 108 4.529 1.749 -2.047 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.198 0.400 -1.798 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.393 2.861 -1.459 1.00 0.00 C ATOM 0 H VAL A 108 2.402 2.662 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 108 5.320 2.322 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 108 3.548 1.761 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.311 0.242 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.582 -0.395 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.179 0.388 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.506 2.705 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.374 2.849 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.916 3.825 -1.637 1.00 0.00 H new ATOM 1432 N ALA A 109 4.671 0.384 -5.371 1.00 0.00 N ATOM 1433 CA ALA A 109 4.413 -0.824 -6.128 1.00 0.00 C ATOM 1434 C ALA A 109 5.224 -1.977 -5.553 1.00 0.00 C ATOM 1435 O ALA A 109 6.390 -1.804 -5.205 1.00 0.00 O ATOM 1436 CB ALA A 109 4.769 -0.590 -7.593 1.00 0.00 C ATOM 0 H ALA A 109 5.394 0.983 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 109 3.356 -1.081 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.575 -1.498 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.162 0.224 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.824 -0.329 -7.674 1.00 0.00 H new ATOM 1442 N ILE A 110 4.604 -3.155 -5.454 1.00 0.00 N ATOM 1443 CA ILE A 110 5.268 -4.329 -4.924 1.00 0.00 C ATOM 1444 C ILE A 110 5.364 -5.397 -6.004 1.00 0.00 C ATOM 1445 O ILE A 110 4.575 -5.402 -6.946 1.00 0.00 O ATOM 1446 CB ILE A 110 4.494 -4.848 -3.716 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.904 -3.671 -2.944 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.437 -5.631 -2.807 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.174 -4.188 -1.708 1.00 0.00 C ATOM 0 H ILE A 110 3.637 -3.313 -5.738 1.00 0.00 H new ATOM 0 HA ILE A 110 6.278 -4.070 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 110 3.689 -5.500 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.696 -2.982 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.216 -3.114 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.885 -6.002 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.858 -6.472 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.242 -4.979 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.752 -3.348 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.372 -4.860 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.875 -4.726 -1.070 1.00 0.00 H new ATOM 1461 N SER A 111 6.335 -6.302 -5.866 1.00 0.00 N ATOM 1462 CA SER A 111 6.528 -7.369 -6.828 1.00 0.00 C ATOM 1463 C SER A 111 6.832 -8.671 -6.102 1.00 0.00 C ATOM 1464 O SER A 111 7.885 -8.808 -5.483 1.00 0.00 O ATOM 1465 CB SER A 111 7.665 -6.999 -7.776 1.00 0.00 C ATOM 1466 OG SER A 111 7.244 -7.180 -9.109 1.00 0.00 O ATOM 0 H SER A 111 6.998 -6.310 -5.091 1.00 0.00 H new ATOM 0 HA SER A 111 5.617 -7.507 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.964 -5.963 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.539 -7.618 -7.572 1.00 0.00 H new ATOM 0 HG SER A 111 7.974 -6.941 -9.718 1.00 0.00 H new ATOM 1472 N PHE A 112 5.908 -9.631 -6.181 1.00 0.00 N ATOM 1473 CA PHE A 112 6.084 -10.915 -5.533 1.00 0.00 C ATOM 1474 C PHE A 112 6.836 -11.861 -6.458 1.00 0.00 C ATOM 1475 O PHE A 112 6.251 -12.428 -7.379 1.00 0.00 O ATOM 1476 CB PHE A 112 4.719 -11.489 -5.165 1.00 0.00 C ATOM 1477 CG PHE A 112 4.037 -10.748 -4.040 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.755 -9.383 -4.169 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.684 -11.427 -2.867 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.121 -8.697 -3.127 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.050 -10.741 -1.825 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.769 -9.376 -1.954 1.00 0.00 C ATOM 0 H PHE A 112 5.030 -9.534 -6.691 1.00 0.00 H new ATOM 0 HA PHE A 112 6.669 -10.790 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.076 -11.469 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.838 -12.535 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.027 -8.859 -5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.901 -12.480 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.903 -7.644 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.777 -11.265 -0.921 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.281 -8.847 -1.149 1.00 0.00 H new ATOM 1492 N ASN A 113 8.137 -12.032 -6.212 1.00 0.00 N ATOM 1493 CA ASN A 113 8.959 -12.908 -7.022 1.00 0.00 C ATOM 1494 C ASN A 113 10.427 -12.545 -6.854 1.00 0.00 C ATOM 1495 O ASN A 113 11.244 -13.395 -6.506 1.00 0.00 O ATOM 1496 CB ASN A 113 8.537 -12.790 -8.484 1.00 0.00 C ATOM 1497 CG ASN A 113 7.966 -11.409 -8.775 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.014 -11.278 -9.540 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.550 -10.378 -8.160 1.00 0.00 N ATOM 0 H ASN A 113 8.637 -11.569 -5.453 1.00 0.00 H new ATOM 0 HA ASN A 113 8.823 -13.940 -6.699 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.395 -12.977 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.792 -13.552 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.208 -9.430 -8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.339 -10.538 -7.533 1.00 0.00 H new TER 1506 ASN A 113