USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 704 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 79 LYS NZ :NH3+ 166:sc= 0.00217 (180deg=0) USER MOD Set 1.2: A 80 THR OG1 : rot 71:sc= 1.23 USER MOD Set 2.1: A 19 TYR OH : rot -139:sc= -0.198 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 1.07 USER MOD Set 3.1: A 16 MET CE :methyl 154:sc= -1.53 (180deg=-2.64!) USER MOD Set 3.2: A 24 GLN : amide:sc= -0.918 K(o=-2.4,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.021) USER MOD Single : A 4 MET CE :methyl -162:sc= -0.158 (180deg=-0.711) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0307 (180deg=-0.31) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0274 (180deg=-0.279) USER MOD Single : A 15 LYS NZ :NH3+ 132:sc= 1.36 (180deg=0.126) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -150:sc= 1.34 USER MOD Single : A 25 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0622) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.847 K(o=0.85,f=-5.3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -0.0582 (180deg=-0.261) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0428 (180deg=-0.354) USER MOD Single : A 49 SER OG : rot -83:sc= 0.604 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0785) USER MOD Single : A 54 THR OG1 : rot -77:sc= 0.214 USER MOD Single : A 55 MET CE :methyl -157:sc= -1.8! (180deg=-2.34) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0537 (180deg=-0.366) USER MOD Single : A 66 MET CE :methyl -174:sc= -1.39 (180deg=-1.62) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= -0.0274 (180deg=-0.146) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= -0.827 (180deg=-1.24) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.206 12.073 15.606 1.00 13.23 N ATOM 2 CA GLY A 1 8.789 11.679 15.560 1.00 52.11 C ATOM 3 C GLY A 1 8.042 12.381 14.454 1.00 31.21 C ATOM 4 O GLY A 1 8.632 13.155 13.689 1.00 22.21 O ATOM 0 H1 GLY A 1 10.804 11.234 15.466 1.00 13.23 H new ATOM 0 H2 GLY A 1 10.399 12.765 14.854 1.00 13.23 H new ATOM 0 H3 GLY A 1 10.418 12.499 16.531 1.00 13.23 H new ATOM 0 HA2 GLY A 1 8.717 10.601 15.418 1.00 52.11 H new ATOM 0 HA3 GLY A 1 8.318 11.907 16.516 1.00 52.11 H new ATOM 10 N SER A 2 6.748 12.121 14.366 1.00 40.22 N ATOM 11 CA SER A 2 5.909 12.715 13.342 1.00 50.11 C ATOM 12 C SER A 2 5.738 14.217 13.579 1.00 53.22 C ATOM 13 O SER A 2 5.492 14.654 14.705 1.00 54.31 O ATOM 14 CB SER A 2 4.546 12.020 13.332 1.00 30.14 C ATOM 15 OG SER A 2 4.693 10.617 13.152 1.00 60.10 O ATOM 0 H SER A 2 6.252 11.495 15.000 1.00 40.22 H new ATOM 0 HA SER A 2 6.390 12.581 12.373 1.00 50.11 H new ATOM 0 HB2 SER A 2 4.026 12.218 14.269 1.00 30.14 H new ATOM 0 HB3 SER A 2 3.930 12.431 12.532 1.00 30.14 H new ATOM 0 HG SER A 2 3.809 10.193 13.151 1.00 60.10 H new ATOM 21 N HIS A 3 5.870 15.004 12.516 1.00 41.44 N ATOM 22 CA HIS A 3 5.725 16.457 12.619 1.00 53.54 C ATOM 23 C HIS A 3 4.259 16.866 12.616 1.00 74.42 C ATOM 24 O HIS A 3 3.926 18.017 12.890 1.00 33.44 O ATOM 25 CB HIS A 3 6.504 17.198 11.505 1.00 15.41 C ATOM 26 CG HIS A 3 6.148 16.800 10.095 1.00 12.32 C ATOM 27 ND1 HIS A 3 5.356 17.567 9.268 1.00 12.32 N ATOM 28 CD2 HIS A 3 6.513 15.722 9.361 1.00 23.33 C ATOM 29 CE1 HIS A 3 5.251 16.978 8.092 1.00 4.45 C ATOM 30 NE2 HIS A 3 5.943 15.860 8.125 1.00 73.33 N ATOM 0 H HIS A 3 6.076 14.665 11.576 1.00 41.44 H new ATOM 0 HA HIS A 3 6.160 16.753 13.574 1.00 53.54 H new ATOM 0 HB2 HIS A 3 6.334 18.269 11.616 1.00 15.41 H new ATOM 0 HB3 HIS A 3 7.570 17.027 11.655 1.00 15.41 H new ATOM 0 HD2 HIS A 3 7.138 14.905 9.690 1.00 23.33 H new ATOM 0 HE1 HIS A 3 4.692 17.350 7.246 1.00 4.45 H new ATOM 0 HE2 HIS A 3 6.039 15.201 7.352 1.00 73.33 H new ATOM 39 N MET A 4 3.392 15.925 12.297 1.00 71.01 N ATOM 40 CA MET A 4 1.961 16.171 12.298 1.00 64.11 C ATOM 41 C MET A 4 1.202 14.879 12.577 1.00 42.31 C ATOM 42 O MET A 4 1.326 13.902 11.841 1.00 44.20 O ATOM 43 CB MET A 4 1.507 16.801 10.969 1.00 64.30 C ATOM 44 CG MET A 4 1.807 15.962 9.735 1.00 1.43 C ATOM 45 SD MET A 4 1.319 16.776 8.200 1.00 34.33 S ATOM 46 CE MET A 4 -0.434 17.031 8.491 1.00 42.34 C ATOM 0 H MET A 4 3.655 14.976 12.032 1.00 71.01 H new ATOM 0 HA MET A 4 1.736 16.881 13.094 1.00 64.11 H new ATOM 0 HB2 MET A 4 0.433 16.983 11.016 1.00 64.30 H new ATOM 0 HB3 MET A 4 1.990 17.772 10.858 1.00 64.30 H new ATOM 0 HG2 MET A 4 2.874 15.743 9.701 1.00 1.43 H new ATOM 0 HG3 MET A 4 1.288 15.007 9.816 1.00 1.43 H new ATOM 0 HE1 MET A 4 -0.936 17.222 7.543 1.00 42.34 H new ATOM 0 HE2 MET A 4 -0.859 16.141 8.954 1.00 42.34 H new ATOM 0 HE3 MET A 4 -0.572 17.886 9.153 1.00 42.34 H new ATOM 56 N GLY A 5 0.438 14.873 13.652 1.00 62.33 N ATOM 57 CA GLY A 5 -0.316 13.693 14.016 1.00 44.45 C ATOM 58 C GLY A 5 -1.755 13.778 13.569 1.00 43.03 C ATOM 59 O GLY A 5 -2.514 12.818 13.702 1.00 4.35 O ATOM 0 H GLY A 5 0.324 15.666 14.283 1.00 62.33 H new ATOM 0 HA2 GLY A 5 0.150 12.814 13.571 1.00 44.45 H new ATOM 0 HA3 GLY A 5 -0.280 13.560 15.097 1.00 44.45 H new ATOM 63 N LYS A 6 -2.131 14.927 13.040 1.00 61.32 N ATOM 64 CA LYS A 6 -3.481 15.142 12.566 1.00 32.24 C ATOM 65 C LYS A 6 -3.470 16.096 11.385 1.00 14.03 C ATOM 66 O LYS A 6 -2.569 16.929 11.260 1.00 61.23 O ATOM 67 CB LYS A 6 -4.366 15.700 13.690 1.00 3.34 C ATOM 68 CG LYS A 6 -3.937 17.074 14.196 1.00 21.40 C ATOM 69 CD LYS A 6 -4.843 17.575 15.312 1.00 4.34 C ATOM 70 CE LYS A 6 -4.694 16.745 16.581 1.00 3.44 C ATOM 71 NZ LYS A 6 -3.310 16.798 17.128 1.00 23.23 N ATOM 0 H LYS A 6 -1.513 15.731 12.928 1.00 61.32 H new ATOM 0 HA LYS A 6 -3.894 14.185 12.246 1.00 32.24 H new ATOM 0 HB2 LYS A 6 -5.394 15.761 13.332 1.00 3.34 H new ATOM 0 HB3 LYS A 6 -4.360 14.999 14.525 1.00 3.34 H new ATOM 0 HG2 LYS A 6 -2.910 17.024 14.557 1.00 21.40 H new ATOM 0 HG3 LYS A 6 -3.950 17.786 13.370 1.00 21.40 H new ATOM 0 HD2 LYS A 6 -4.608 18.617 15.530 1.00 4.34 H new ATOM 0 HD3 LYS A 6 -5.880 17.545 14.978 1.00 4.34 H new ATOM 0 HE2 LYS A 6 -5.395 17.106 17.334 1.00 3.44 H new ATOM 0 HE3 LYS A 6 -4.960 15.709 16.369 1.00 3.44 H new ATOM 0 HZ1 LYS A 6 -3.309 16.442 18.105 1.00 23.23 H new ATOM 0 HZ2 LYS A 6 -2.683 16.209 16.544 1.00 23.23 H new ATOM 0 HZ3 LYS A 6 -2.970 17.781 17.117 1.00 23.23 H new ATOM 85 N GLY A 7 -4.453 15.962 10.521 1.00 11.02 N ATOM 86 CA GLY A 7 -4.550 16.831 9.376 1.00 0.22 C ATOM 87 C GLY A 7 -3.987 16.195 8.125 1.00 14.51 C ATOM 88 O GLY A 7 -3.316 15.160 8.188 1.00 2.54 O ATOM 0 H GLY A 7 -5.192 15.262 10.592 1.00 11.02 H new ATOM 0 HA2 GLY A 7 -5.595 17.094 9.209 1.00 0.22 H new ATOM 0 HA3 GLY A 7 -4.017 17.759 9.581 1.00 0.22 H new ATOM 92 N ASP A 8 -4.255 16.810 6.994 1.00 33.45 N ATOM 93 CA ASP A 8 -3.771 16.316 5.719 1.00 40.44 C ATOM 94 C ASP A 8 -2.726 17.255 5.158 1.00 61.11 C ATOM 95 O ASP A 8 -3.001 18.436 4.939 1.00 51.11 O ATOM 96 CB ASP A 8 -4.921 16.166 4.714 1.00 4.11 C ATOM 97 CG ASP A 8 -5.798 14.964 4.989 1.00 34.25 C ATOM 98 OD1 ASP A 8 -6.746 15.083 5.804 1.00 63.43 O ATOM 99 OD2 ASP A 8 -5.548 13.892 4.386 1.00 42.25 O ATOM 0 H ASP A 8 -4.811 17.662 6.930 1.00 33.45 H new ATOM 0 HA ASP A 8 -3.325 15.335 5.886 1.00 40.44 H new ATOM 0 HB2 ASP A 8 -5.534 17.067 4.735 1.00 4.11 H new ATOM 0 HB3 ASP A 8 -4.508 16.084 3.708 1.00 4.11 H new ATOM 104 N PRO A 9 -1.507 16.754 4.923 1.00 12.05 N ATOM 105 CA PRO A 9 -0.424 17.564 4.365 1.00 63.34 C ATOM 106 C PRO A 9 -0.663 17.887 2.892 1.00 55.05 C ATOM 107 O PRO A 9 -0.045 18.801 2.342 1.00 71.24 O ATOM 108 CB PRO A 9 0.809 16.668 4.523 1.00 40.24 C ATOM 109 CG PRO A 9 0.271 15.279 4.537 1.00 41.42 C ATOM 110 CD PRO A 9 -1.081 15.363 5.192 1.00 21.51 C ATOM 0 HA PRO A 9 -0.328 18.528 4.865 1.00 63.34 H new ATOM 0 HB2 PRO A 9 1.511 16.812 3.701 1.00 40.24 H new ATOM 0 HB3 PRO A 9 1.346 16.893 5.444 1.00 40.24 H new ATOM 0 HG2 PRO A 9 0.190 14.882 3.525 1.00 41.42 H new ATOM 0 HG3 PRO A 9 0.931 14.611 5.090 1.00 41.42 H new ATOM 0 HD2 PRO A 9 -1.778 14.640 4.768 1.00 21.51 H new ATOM 0 HD3 PRO A 9 -1.023 15.160 6.261 1.00 21.51 H new ATOM 118 N LYS A 10 -1.562 17.111 2.263 1.00 73.44 N ATOM 119 CA LYS A 10 -1.916 17.272 0.847 1.00 3.44 C ATOM 120 C LYS A 10 -0.753 16.896 -0.062 1.00 63.24 C ATOM 121 O LYS A 10 -0.794 17.114 -1.269 1.00 50.32 O ATOM 122 CB LYS A 10 -2.413 18.696 0.551 1.00 63.11 C ATOM 123 CG LYS A 10 -3.802 19.007 1.108 1.00 64.42 C ATOM 124 CD LYS A 10 -4.909 18.736 0.085 1.00 43.21 C ATOM 125 CE LYS A 10 -4.954 17.277 -0.350 1.00 11.03 C ATOM 126 NZ LYS A 10 -5.968 17.050 -1.406 1.00 53.34 N ATOM 0 H LYS A 10 -2.064 16.353 2.726 1.00 73.44 H new ATOM 0 HA LYS A 10 -2.736 16.586 0.636 1.00 3.44 H new ATOM 0 HB2 LYS A 10 -1.701 19.410 0.964 1.00 63.11 H new ATOM 0 HB3 LYS A 10 -2.425 18.847 -0.528 1.00 63.11 H new ATOM 0 HG2 LYS A 10 -3.978 18.404 1.999 1.00 64.42 H new ATOM 0 HG3 LYS A 10 -3.842 20.052 1.417 1.00 64.42 H new ATOM 0 HD2 LYS A 10 -5.872 19.014 0.514 1.00 43.21 H new ATOM 0 HD3 LYS A 10 -4.755 19.368 -0.789 1.00 43.21 H new ATOM 0 HE2 LYS A 10 -3.973 16.977 -0.717 1.00 11.03 H new ATOM 0 HE3 LYS A 10 -5.178 16.647 0.511 1.00 11.03 H new ATOM 0 HZ1 LYS A 10 -5.969 16.046 -1.676 1.00 53.34 H new ATOM 0 HZ2 LYS A 10 -6.908 17.313 -1.047 1.00 53.34 H new ATOM 0 HZ3 LYS A 10 -5.740 17.632 -2.237 1.00 53.34 H new ATOM 140 N LYS A 11 0.267 16.310 0.529 1.00 25.02 N ATOM 141 CA LYS A 11 1.431 15.871 -0.199 1.00 44.05 C ATOM 142 C LYS A 11 1.545 14.357 -0.110 1.00 53.13 C ATOM 143 O LYS A 11 1.960 13.814 0.923 1.00 33.11 O ATOM 144 CB LYS A 11 2.697 16.538 0.355 1.00 64.30 C ATOM 145 CG LYS A 11 3.987 16.046 -0.286 1.00 3.52 C ATOM 146 CD LYS A 11 5.198 16.761 0.286 1.00 74.40 C ATOM 147 CE LYS A 11 6.497 16.141 -0.210 1.00 62.04 C ATOM 148 NZ LYS A 11 6.679 14.756 0.289 1.00 55.00 N ATOM 0 H LYS A 11 0.309 16.126 1.531 1.00 25.02 H new ATOM 0 HA LYS A 11 1.326 16.161 -1.245 1.00 44.05 H new ATOM 0 HB2 LYS A 11 2.620 17.616 0.211 1.00 64.30 H new ATOM 0 HB3 LYS A 11 2.747 16.362 1.430 1.00 64.30 H new ATOM 0 HG2 LYS A 11 4.088 14.972 -0.127 1.00 3.52 H new ATOM 0 HG3 LYS A 11 3.944 16.206 -1.363 1.00 3.52 H new ATOM 0 HD2 LYS A 11 5.166 17.814 0.006 1.00 74.40 H new ATOM 0 HD3 LYS A 11 5.166 16.719 1.375 1.00 74.40 H new ATOM 0 HE2 LYS A 11 6.504 16.137 -1.300 1.00 62.04 H new ATOM 0 HE3 LYS A 11 7.338 16.755 0.112 1.00 62.04 H new ATOM 0 HZ1 LYS A 11 7.674 14.476 0.180 1.00 55.00 H new ATOM 0 HZ2 LYS A 11 6.415 14.712 1.294 1.00 55.00 H new ATOM 0 HZ3 LYS A 11 6.075 14.108 -0.256 1.00 55.00 H new ATOM 162 N PRO A 12 1.143 13.652 -1.171 1.00 23.31 N ATOM 163 CA PRO A 12 1.193 12.197 -1.209 1.00 50.50 C ATOM 164 C PRO A 12 2.621 11.684 -1.148 1.00 34.55 C ATOM 165 O PRO A 12 3.440 11.986 -2.020 1.00 73.43 O ATOM 166 CB PRO A 12 0.560 11.840 -2.566 1.00 32.54 C ATOM 167 CG PRO A 12 -0.161 13.071 -2.992 1.00 71.43 C ATOM 168 CD PRO A 12 0.607 14.216 -2.415 1.00 33.01 C ATOM 0 HA PRO A 12 0.677 11.750 -0.359 1.00 50.50 H new ATOM 0 HB2 PRO A 12 1.320 11.557 -3.294 1.00 32.54 H new ATOM 0 HB3 PRO A 12 -0.123 10.995 -2.473 1.00 32.54 H new ATOM 0 HG2 PRO A 12 -0.207 13.140 -4.079 1.00 71.43 H new ATOM 0 HG3 PRO A 12 -1.189 13.067 -2.629 1.00 71.43 H new ATOM 0 HD2 PRO A 12 1.401 14.549 -3.084 1.00 33.01 H new ATOM 0 HD3 PRO A 12 -0.033 15.078 -2.226 1.00 33.01 H new ATOM 176 N ARG A 13 2.919 10.918 -0.115 1.00 51.05 N ATOM 177 CA ARG A 13 4.242 10.341 0.037 1.00 51.21 C ATOM 178 C ARG A 13 4.335 9.079 -0.794 1.00 21.02 C ATOM 179 O ARG A 13 5.420 8.630 -1.158 1.00 73.22 O ATOM 180 CB ARG A 13 4.537 10.022 1.510 1.00 44.11 C ATOM 181 CG ARG A 13 3.666 8.921 2.098 1.00 35.52 C ATOM 182 CD ARG A 13 4.108 8.551 3.499 1.00 11.44 C ATOM 183 NE ARG A 13 3.349 7.417 4.032 1.00 31.21 N ATOM 184 CZ ARG A 13 3.357 7.039 5.315 1.00 3.30 C ATOM 185 NH1 ARG A 13 4.086 7.710 6.208 1.00 2.32 N ATOM 186 NH2 ARG A 13 2.635 5.993 5.702 1.00 13.53 N ATOM 0 H ARG A 13 2.264 10.681 0.630 1.00 51.05 H new ATOM 0 HA ARG A 13 4.982 11.064 -0.306 1.00 51.21 H new ATOM 0 HB2 ARG A 13 5.583 9.731 1.604 1.00 44.11 H new ATOM 0 HB3 ARG A 13 4.404 10.929 2.100 1.00 44.11 H new ATOM 0 HG2 ARG A 13 2.627 9.250 2.118 1.00 35.52 H new ATOM 0 HG3 ARG A 13 3.709 8.040 1.457 1.00 35.52 H new ATOM 0 HD2 ARG A 13 5.170 8.305 3.491 1.00 11.44 H new ATOM 0 HD3 ARG A 13 3.985 9.411 4.157 1.00 11.44 H new ATOM 0 HE ARG A 13 2.776 6.880 3.381 1.00 31.21 H new ATOM 0 HH11 ARG A 13 4.640 8.514 5.913 1.00 2.32 H new ATOM 0 HH12 ARG A 13 4.090 7.419 7.186 1.00 2.32 H new ATOM 0 HH21 ARG A 13 2.076 5.479 5.021 1.00 13.53 H new ATOM 0 HH22 ARG A 13 2.640 5.704 6.680 1.00 13.53 H new ATOM 200 N GLY A 14 3.181 8.514 -1.081 1.00 25.41 N ATOM 201 CA GLY A 14 3.099 7.315 -1.847 1.00 21.21 C ATOM 202 C GLY A 14 1.819 6.594 -1.553 1.00 45.33 C ATOM 203 O GLY A 14 0.907 7.166 -0.953 1.00 70.41 O ATOM 0 H GLY A 14 2.278 8.884 -0.783 1.00 25.41 H new ATOM 0 HA2 GLY A 14 3.155 7.550 -2.910 1.00 21.21 H new ATOM 0 HA3 GLY A 14 3.948 6.671 -1.618 1.00 21.21 H new ATOM 207 N LYS A 15 1.736 5.360 -1.962 1.00 1.22 N ATOM 208 CA LYS A 15 0.559 4.560 -1.712 1.00 72.12 C ATOM 209 C LYS A 15 0.875 3.468 -0.700 1.00 60.00 C ATOM 210 O LYS A 15 0.829 3.706 0.506 1.00 35.20 O ATOM 211 CB LYS A 15 0.020 3.969 -3.012 1.00 73.32 C ATOM 212 CG LYS A 15 1.110 3.496 -3.950 1.00 1.14 C ATOM 213 CD LYS A 15 0.574 2.549 -4.978 1.00 71.11 C ATOM 214 CE LYS A 15 1.680 2.048 -5.866 1.00 70.50 C ATOM 215 NZ LYS A 15 1.214 0.985 -6.766 1.00 11.52 N ATOM 0 H LYS A 15 2.474 4.878 -2.475 1.00 1.22 H new ATOM 0 HA LYS A 15 -0.218 5.200 -1.294 1.00 72.12 H new ATOM 0 HB2 LYS A 15 -0.637 3.132 -2.778 1.00 73.32 H new ATOM 0 HB3 LYS A 15 -0.587 4.718 -3.520 1.00 73.32 H new ATOM 0 HG2 LYS A 15 1.563 4.355 -4.445 1.00 1.14 H new ATOM 0 HG3 LYS A 15 1.897 3.006 -3.377 1.00 1.14 H new ATOM 0 HD2 LYS A 15 0.087 1.708 -4.486 1.00 71.11 H new ATOM 0 HD3 LYS A 15 -0.185 3.049 -5.580 1.00 71.11 H new ATOM 0 HE2 LYS A 15 2.077 2.875 -6.454 1.00 70.50 H new ATOM 0 HE3 LYS A 15 2.498 1.672 -5.252 1.00 70.50 H new ATOM 0 HZ1 LYS A 15 1.531 1.188 -7.736 1.00 11.52 H new ATOM 0 HZ2 LYS A 15 1.606 0.072 -6.457 1.00 11.52 H new ATOM 0 HZ3 LYS A 15 0.175 0.941 -6.743 1.00 11.52 H new ATOM 229 N MET A 16 1.216 2.270 -1.185 1.00 21.53 N ATOM 230 CA MET A 16 1.601 1.146 -0.371 1.00 72.33 C ATOM 231 C MET A 16 2.838 0.529 -1.008 1.00 51.44 C ATOM 232 O MET A 16 3.077 0.728 -2.203 1.00 22.10 O ATOM 233 CB MET A 16 0.470 0.105 -0.342 1.00 43.30 C ATOM 234 CG MET A 16 -0.864 0.634 0.160 1.00 71.25 C ATOM 235 SD MET A 16 -2.239 -0.494 -0.187 1.00 5.11 S ATOM 236 CE MET A 16 -1.737 -1.945 0.729 1.00 3.03 C ATOM 0 H MET A 16 1.228 2.065 -2.184 1.00 21.53 H new ATOM 0 HA MET A 16 1.803 1.466 0.651 1.00 72.33 H new ATOM 0 HB2 MET A 16 0.333 -0.292 -1.348 1.00 43.30 H new ATOM 0 HB3 MET A 16 0.777 -0.728 0.290 1.00 43.30 H new ATOM 0 HG2 MET A 16 -0.801 0.804 1.235 1.00 71.25 H new ATOM 0 HG3 MET A 16 -1.065 1.599 -0.304 1.00 71.25 H new ATOM 0 HE1 MET A 16 -2.618 -2.524 1.005 1.00 3.03 H new ATOM 0 HE2 MET A 16 -1.080 -2.556 0.111 1.00 3.03 H new ATOM 0 HE3 MET A 16 -1.206 -1.640 1.631 1.00 3.03 H new ATOM 246 N SER A 17 3.611 -0.207 -0.246 1.00 30.23 N ATOM 247 CA SER A 17 4.812 -0.831 -0.772 1.00 41.24 C ATOM 248 C SER A 17 4.479 -2.168 -1.451 1.00 73.12 C ATOM 249 O SER A 17 3.326 -2.617 -1.423 1.00 0.21 O ATOM 250 CB SER A 17 5.815 -1.033 0.356 1.00 24.11 C ATOM 251 OG SER A 17 6.043 0.189 1.052 1.00 2.32 O ATOM 0 H SER A 17 3.434 -0.391 0.741 1.00 30.23 H new ATOM 0 HA SER A 17 5.251 -0.177 -1.526 1.00 41.24 H new ATOM 0 HB2 SER A 17 5.443 -1.788 1.049 1.00 24.11 H new ATOM 0 HB3 SER A 17 6.755 -1.407 -0.049 1.00 24.11 H new ATOM 0 HG SER A 17 6.689 0.039 1.774 1.00 2.32 H new ATOM 257 N SER A 18 5.486 -2.812 -2.034 1.00 42.33 N ATOM 258 CA SER A 18 5.306 -4.083 -2.727 1.00 54.44 C ATOM 259 C SER A 18 4.847 -5.172 -1.764 1.00 53.23 C ATOM 260 O SER A 18 3.963 -5.967 -2.089 1.00 30.01 O ATOM 261 CB SER A 18 6.605 -4.485 -3.418 1.00 64.12 C ATOM 262 OG SER A 18 7.085 -3.427 -4.240 1.00 44.54 O ATOM 0 H SER A 18 6.446 -2.469 -2.039 1.00 42.33 H new ATOM 0 HA SER A 18 4.529 -3.960 -3.481 1.00 54.44 H new ATOM 0 HB2 SER A 18 7.356 -4.741 -2.671 1.00 64.12 H new ATOM 0 HB3 SER A 18 6.440 -5.376 -4.023 1.00 64.12 H new ATOM 0 HG SER A 18 7.575 -3.801 -5.002 1.00 44.54 H new ATOM 268 N TYR A 19 5.455 -5.200 -0.581 1.00 74.22 N ATOM 269 CA TYR A 19 5.076 -6.139 0.470 1.00 33.25 C ATOM 270 C TYR A 19 3.581 -6.040 0.760 1.00 43.42 C ATOM 271 O TYR A 19 2.890 -7.051 0.873 1.00 44.20 O ATOM 272 CB TYR A 19 5.889 -5.835 1.741 1.00 14.35 C ATOM 273 CG TYR A 19 5.431 -6.575 2.983 1.00 53.24 C ATOM 274 CD1 TYR A 19 5.880 -7.856 3.260 1.00 0.13 C ATOM 275 CD2 TYR A 19 4.553 -5.979 3.884 1.00 71.42 C ATOM 276 CE1 TYR A 19 5.468 -8.523 4.396 1.00 13.12 C ATOM 277 CE2 TYR A 19 4.136 -6.640 5.021 1.00 21.34 C ATOM 278 CZ TYR A 19 4.594 -7.911 5.274 1.00 53.32 C ATOM 279 OH TYR A 19 4.183 -8.574 6.411 1.00 54.51 O ATOM 0 H TYR A 19 6.220 -4.576 -0.325 1.00 74.22 H new ATOM 0 HA TYR A 19 5.291 -7.155 0.138 1.00 33.25 H new ATOM 0 HB2 TYR A 19 6.934 -6.081 1.554 1.00 14.35 H new ATOM 0 HB3 TYR A 19 5.844 -4.764 1.936 1.00 14.35 H new ATOM 0 HD1 TYR A 19 6.562 -8.340 2.577 1.00 0.13 H new ATOM 0 HD2 TYR A 19 4.191 -4.980 3.689 1.00 71.42 H new ATOM 0 HE1 TYR A 19 5.828 -9.521 4.598 1.00 13.12 H new ATOM 0 HE2 TYR A 19 3.454 -6.162 5.708 1.00 21.34 H new ATOM 0 HH TYR A 19 3.227 -8.415 6.555 1.00 54.51 H new ATOM 289 N ALA A 20 3.093 -4.815 0.855 1.00 33.41 N ATOM 290 CA ALA A 20 1.697 -4.563 1.138 1.00 53.13 C ATOM 291 C ALA A 20 0.803 -5.091 0.017 1.00 34.12 C ATOM 292 O ALA A 20 -0.225 -5.718 0.278 1.00 15.04 O ATOM 293 CB ALA A 20 1.474 -3.084 1.361 1.00 31.10 C ATOM 0 H ALA A 20 3.654 -3.972 0.738 1.00 33.41 H new ATOM 0 HA ALA A 20 1.426 -5.097 2.049 1.00 53.13 H new ATOM 0 HB1 ALA A 20 0.420 -2.903 1.573 1.00 31.10 H new ATOM 0 HB2 ALA A 20 2.077 -2.748 2.204 1.00 31.10 H new ATOM 0 HB3 ALA A 20 1.763 -2.533 0.466 1.00 31.10 H new ATOM 299 N PHE A 21 1.197 -4.835 -1.233 1.00 44.21 N ATOM 300 CA PHE A 21 0.458 -5.344 -2.391 1.00 20.42 C ATOM 301 C PHE A 21 0.412 -6.866 -2.391 1.00 51.33 C ATOM 302 O PHE A 21 -0.548 -7.477 -2.876 1.00 23.43 O ATOM 303 CB PHE A 21 1.064 -4.831 -3.697 1.00 51.14 C ATOM 304 CG PHE A 21 0.546 -3.485 -4.103 1.00 31.42 C ATOM 305 CD1 PHE A 21 1.052 -2.328 -3.537 1.00 73.11 C ATOM 306 CD2 PHE A 21 -0.460 -3.379 -5.049 1.00 33.14 C ATOM 307 CE1 PHE A 21 0.565 -1.093 -3.907 1.00 3.14 C ATOM 308 CE2 PHE A 21 -0.950 -2.147 -5.423 1.00 72.55 C ATOM 309 CZ PHE A 21 -0.438 -1.002 -4.852 1.00 2.32 C ATOM 0 H PHE A 21 2.020 -4.281 -1.469 1.00 44.21 H new ATOM 0 HA PHE A 21 -0.564 -4.973 -2.316 1.00 20.42 H new ATOM 0 HB2 PHE A 21 2.148 -4.778 -3.591 1.00 51.14 H new ATOM 0 HB3 PHE A 21 0.856 -5.547 -4.492 1.00 51.14 H new ATOM 0 HD1 PHE A 21 1.837 -2.394 -2.798 1.00 73.11 H new ATOM 0 HD2 PHE A 21 -0.865 -4.273 -5.499 1.00 33.14 H new ATOM 0 HE1 PHE A 21 0.967 -0.197 -3.458 1.00 3.14 H new ATOM 0 HE2 PHE A 21 -1.734 -2.079 -6.162 1.00 72.55 H new ATOM 0 HZ PHE A 21 -0.821 -0.035 -5.143 1.00 2.32 H new ATOM 319 N PHE A 22 1.439 -7.477 -1.847 1.00 53.34 N ATOM 320 CA PHE A 22 1.478 -8.912 -1.738 1.00 63.33 C ATOM 321 C PHE A 22 0.485 -9.392 -0.690 1.00 43.02 C ATOM 322 O PHE A 22 -0.234 -10.362 -0.908 1.00 11.41 O ATOM 323 CB PHE A 22 2.881 -9.395 -1.387 1.00 63.40 C ATOM 324 CG PHE A 22 2.946 -10.868 -1.114 1.00 31.15 C ATOM 325 CD1 PHE A 22 2.893 -11.780 -2.151 1.00 14.31 C ATOM 326 CD2 PHE A 22 3.049 -11.340 0.183 1.00 64.03 C ATOM 327 CE1 PHE A 22 2.941 -13.133 -1.903 1.00 62.31 C ATOM 328 CE2 PHE A 22 3.099 -12.691 0.436 1.00 70.41 C ATOM 329 CZ PHE A 22 3.045 -13.587 -0.607 1.00 41.23 C ATOM 0 H PHE A 22 2.259 -6.999 -1.473 1.00 53.34 H new ATOM 0 HA PHE A 22 1.202 -9.330 -2.706 1.00 63.33 H new ATOM 0 HB2 PHE A 22 3.557 -9.154 -2.207 1.00 63.40 H new ATOM 0 HB3 PHE A 22 3.236 -8.853 -0.510 1.00 63.40 H new ATOM 0 HD1 PHE A 22 2.813 -11.427 -3.168 1.00 14.31 H new ATOM 0 HD2 PHE A 22 3.091 -10.640 1.005 1.00 64.03 H new ATOM 0 HE1 PHE A 22 2.897 -13.836 -2.722 1.00 62.31 H new ATOM 0 HE2 PHE A 22 3.181 -13.048 1.452 1.00 70.41 H new ATOM 0 HZ PHE A 22 3.084 -14.648 -0.409 1.00 41.23 H new ATOM 339 N VAL A 23 0.428 -8.685 0.433 1.00 33.43 N ATOM 340 CA VAL A 23 -0.449 -9.063 1.537 1.00 2.43 C ATOM 341 C VAL A 23 -1.926 -8.836 1.182 1.00 4.41 C ATOM 342 O VAL A 23 -2.809 -9.471 1.747 1.00 5.42 O ATOM 343 CB VAL A 23 -0.091 -8.303 2.847 1.00 3.23 C ATOM 344 CG1 VAL A 23 -0.957 -8.776 4.009 1.00 24.53 C ATOM 345 CG2 VAL A 23 1.380 -8.489 3.184 1.00 43.33 C ATOM 0 H VAL A 23 0.980 -7.845 0.604 1.00 33.43 H new ATOM 0 HA VAL A 23 -0.293 -10.128 1.710 1.00 2.43 H new ATOM 0 HB VAL A 23 -0.286 -7.243 2.683 1.00 3.23 H new ATOM 0 HG11 VAL A 23 -0.686 -8.228 4.912 1.00 24.53 H new ATOM 0 HG12 VAL A 23 -2.007 -8.596 3.777 1.00 24.53 H new ATOM 0 HG13 VAL A 23 -0.799 -9.842 4.170 1.00 24.53 H new ATOM 0 HG21 VAL A 23 1.614 -7.951 4.103 1.00 43.33 H new ATOM 0 HG22 VAL A 23 1.591 -9.550 3.321 1.00 43.33 H new ATOM 0 HG23 VAL A 23 1.992 -8.100 2.370 1.00 43.33 H new ATOM 355 N GLN A 24 -2.188 -7.970 0.211 1.00 32.23 N ATOM 356 CA GLN A 24 -3.570 -7.724 -0.184 1.00 21.42 C ATOM 357 C GLN A 24 -4.003 -8.794 -1.175 1.00 0.54 C ATOM 358 O GLN A 24 -5.176 -9.162 -1.244 1.00 54.01 O ATOM 359 CB GLN A 24 -3.765 -6.311 -0.764 1.00 41.44 C ATOM 360 CG GLN A 24 -3.120 -6.086 -2.117 1.00 22.12 C ATOM 361 CD GLN A 24 -3.356 -4.688 -2.659 1.00 0.25 C ATOM 362 OE1 GLN A 24 -3.422 -4.483 -3.869 1.00 5.42 O ATOM 363 NE2 GLN A 24 -3.488 -3.719 -1.771 1.00 14.11 N ATOM 0 H GLN A 24 -1.486 -7.440 -0.305 1.00 32.23 H new ATOM 0 HA GLN A 24 -4.199 -7.778 0.704 1.00 21.42 H new ATOM 0 HB2 GLN A 24 -4.833 -6.112 -0.849 1.00 41.44 H new ATOM 0 HB3 GLN A 24 -3.361 -5.585 -0.059 1.00 41.44 H new ATOM 0 HG2 GLN A 24 -2.047 -6.263 -2.036 1.00 22.12 H new ATOM 0 HG3 GLN A 24 -3.511 -6.816 -2.826 1.00 22.12 H new ATOM 0 HE21 GLN A 24 -3.427 -3.929 -0.775 1.00 14.11 H new ATOM 0 HE22 GLN A 24 -3.651 -2.761 -2.082 1.00 14.11 H new ATOM 372 N THR A 25 -3.031 -9.309 -1.919 1.00 15.04 N ATOM 373 CA THR A 25 -3.265 -10.392 -2.847 1.00 70.40 C ATOM 374 C THR A 25 -3.384 -11.697 -2.067 1.00 34.42 C ATOM 375 O THR A 25 -4.413 -12.354 -2.110 1.00 0.13 O ATOM 376 CB THR A 25 -2.119 -10.492 -3.879 1.00 43.31 C ATOM 377 OG1 THR A 25 -1.964 -9.230 -4.555 1.00 31.32 O ATOM 378 CG2 THR A 25 -2.401 -11.584 -4.904 1.00 74.21 C ATOM 0 H THR A 25 -2.064 -8.984 -1.891 1.00 15.04 H new ATOM 0 HA THR A 25 -4.190 -10.200 -3.391 1.00 70.40 H new ATOM 0 HB THR A 25 -1.201 -10.744 -3.348 1.00 43.31 H new ATOM 0 HG1 THR A 25 -1.473 -8.608 -3.979 1.00 31.32 H new ATOM 0 HG21 THR A 25 -1.579 -11.633 -5.618 1.00 74.21 H new ATOM 0 HG22 THR A 25 -2.498 -12.543 -4.396 1.00 74.21 H new ATOM 0 HG23 THR A 25 -3.327 -11.357 -5.432 1.00 74.21 H new ATOM 386 N CYS A 26 -2.285 -12.088 -1.424 1.00 24.30 N ATOM 387 CA CYS A 26 -2.244 -13.227 -0.486 1.00 20.53 C ATOM 388 C CYS A 26 -3.555 -13.325 0.334 1.00 41.14 C ATOM 389 O CYS A 26 -4.113 -14.414 0.503 1.00 12.34 O ATOM 390 CB CYS A 26 -1.030 -13.046 0.450 1.00 72.31 C ATOM 391 SG CYS A 26 -0.857 -14.275 1.784 1.00 13.23 S ATOM 0 H CYS A 26 -1.384 -11.623 -1.536 1.00 24.30 H new ATOM 0 HA CYS A 26 -2.146 -14.155 -1.048 1.00 20.53 H new ATOM 0 HB2 CYS A 26 -0.124 -13.067 -0.155 1.00 72.31 H new ATOM 0 HB3 CYS A 26 -1.089 -12.056 0.901 1.00 72.31 H new ATOM 396 N ARG A 27 -4.056 -12.173 0.805 1.00 74.21 N ATOM 397 CA ARG A 27 -5.319 -12.110 1.547 1.00 50.15 C ATOM 398 C ARG A 27 -6.478 -12.597 0.678 1.00 3.03 C ATOM 399 O ARG A 27 -7.265 -13.453 1.088 1.00 23.02 O ATOM 400 CB ARG A 27 -5.594 -10.668 1.986 1.00 44.22 C ATOM 401 CG ARG A 27 -7.021 -10.422 2.452 1.00 64.34 C ATOM 402 CD ARG A 27 -7.371 -8.945 2.389 1.00 42.05 C ATOM 403 NE ARG A 27 -8.807 -8.716 2.563 1.00 55.22 N ATOM 404 CZ ARG A 27 -9.662 -8.455 1.563 1.00 43.51 C ATOM 405 NH1 ARG A 27 -9.233 -8.395 0.303 1.00 0.31 N ATOM 406 NH2 ARG A 27 -10.945 -8.257 1.830 1.00 20.13 N ATOM 0 H ARG A 27 -3.600 -11.269 0.683 1.00 74.21 H new ATOM 0 HA ARG A 27 -5.234 -12.754 2.423 1.00 50.15 H new ATOM 0 HB2 ARG A 27 -4.910 -10.409 2.794 1.00 44.22 H new ATOM 0 HB3 ARG A 27 -5.374 -9.998 1.155 1.00 44.22 H new ATOM 0 HG2 ARG A 27 -7.713 -10.990 1.830 1.00 64.34 H new ATOM 0 HG3 ARG A 27 -7.141 -10.784 3.473 1.00 64.34 H new ATOM 0 HD2 ARG A 27 -6.822 -8.408 3.162 1.00 42.05 H new ATOM 0 HD3 ARG A 27 -7.052 -8.537 1.430 1.00 42.05 H new ATOM 0 HE ARG A 27 -9.183 -8.758 3.510 1.00 55.22 H new ATOM 0 HH11 ARG A 27 -8.247 -8.548 0.092 1.00 0.31 H new ATOM 0 HH12 ARG A 27 -9.891 -8.196 -0.451 1.00 0.31 H new ATOM 0 HH21 ARG A 27 -11.279 -8.303 2.793 1.00 20.13 H new ATOM 0 HH22 ARG A 27 -11.599 -8.058 1.073 1.00 20.13 H new ATOM 420 N GLU A 28 -6.560 -12.041 -0.522 1.00 54.10 N ATOM 421 CA GLU A 28 -7.618 -12.358 -1.466 1.00 13.32 C ATOM 422 C GLU A 28 -7.626 -13.844 -1.805 1.00 50.31 C ATOM 423 O GLU A 28 -8.683 -14.475 -1.806 1.00 22.33 O ATOM 424 CB GLU A 28 -7.452 -11.526 -2.737 1.00 13.03 C ATOM 425 CG GLU A 28 -8.555 -11.723 -3.759 1.00 70.51 C ATOM 426 CD GLU A 28 -8.310 -10.940 -5.024 1.00 63.35 C ATOM 427 OE1 GLU A 28 -7.637 -11.468 -5.930 1.00 13.51 O ATOM 428 OE2 GLU A 28 -8.780 -9.792 -5.118 1.00 62.20 O ATOM 0 H GLU A 28 -5.890 -11.354 -0.868 1.00 54.10 H new ATOM 0 HA GLU A 28 -8.573 -12.114 -1.001 1.00 13.32 H new ATOM 0 HB2 GLU A 28 -7.409 -10.472 -2.464 1.00 13.03 H new ATOM 0 HB3 GLU A 28 -6.496 -11.775 -3.198 1.00 13.03 H new ATOM 0 HG2 GLU A 28 -8.638 -12.783 -4.001 1.00 70.51 H new ATOM 0 HG3 GLU A 28 -9.508 -11.419 -3.325 1.00 70.51 H new ATOM 435 N GLU A 29 -6.437 -14.409 -2.076 1.00 11.44 N ATOM 436 CA GLU A 29 -6.309 -15.829 -2.417 1.00 21.10 C ATOM 437 C GLU A 29 -6.931 -16.698 -1.329 1.00 31.33 C ATOM 438 O GLU A 29 -7.639 -17.662 -1.611 1.00 34.11 O ATOM 439 CB GLU A 29 -4.827 -16.216 -2.581 1.00 14.45 C ATOM 440 CG GLU A 29 -4.096 -15.491 -3.704 1.00 41.44 C ATOM 441 CD GLU A 29 -2.645 -15.938 -3.837 1.00 73.31 C ATOM 442 OE1 GLU A 29 -2.399 -17.038 -4.372 1.00 25.30 O ATOM 443 OE2 GLU A 29 -1.739 -15.189 -3.414 1.00 11.55 O ATOM 0 H GLU A 29 -5.553 -13.901 -2.064 1.00 11.44 H new ATOM 0 HA GLU A 29 -6.833 -15.995 -3.359 1.00 21.10 H new ATOM 0 HB2 GLU A 29 -4.309 -16.018 -1.643 1.00 14.45 H new ATOM 0 HB3 GLU A 29 -4.764 -17.289 -2.760 1.00 14.45 H new ATOM 0 HG2 GLU A 29 -4.616 -15.668 -4.646 1.00 41.44 H new ATOM 0 HG3 GLU A 29 -4.127 -14.417 -3.520 1.00 41.44 H new ATOM 450 N HIS A 30 -6.674 -16.332 -0.089 1.00 61.12 N ATOM 451 CA HIS A 30 -7.166 -17.086 1.049 1.00 43.12 C ATOM 452 C HIS A 30 -8.657 -16.859 1.282 1.00 34.42 C ATOM 453 O HIS A 30 -9.369 -17.780 1.667 1.00 11.01 O ATOM 454 CB HIS A 30 -6.372 -16.721 2.307 1.00 3.41 C ATOM 455 CG HIS A 30 -6.803 -17.449 3.554 1.00 42.13 C ATOM 456 ND1 HIS A 30 -6.272 -18.657 3.944 1.00 54.32 N ATOM 457 CD2 HIS A 30 -7.713 -17.121 4.503 1.00 55.23 C ATOM 458 CE1 HIS A 30 -6.831 -19.041 5.070 1.00 73.42 C ATOM 459 NE2 HIS A 30 -7.708 -18.128 5.433 1.00 61.50 N ATOM 0 H HIS A 30 -6.123 -15.510 0.158 1.00 61.12 H new ATOM 0 HA HIS A 30 -7.026 -18.144 0.828 1.00 43.12 H new ATOM 0 HB2 HIS A 30 -5.317 -16.928 2.128 1.00 3.41 H new ATOM 0 HB3 HIS A 30 -6.462 -15.648 2.479 1.00 3.41 H new ATOM 0 HD2 HIS A 30 -8.327 -16.233 4.523 1.00 55.23 H new ATOM 0 HE1 HIS A 30 -6.609 -19.951 5.607 1.00 73.42 H new ATOM 0 HE2 HIS A 30 -8.289 -18.164 6.270 1.00 61.50 H new ATOM 468 N LYS A 31 -9.128 -15.645 1.049 1.00 12.24 N ATOM 469 CA LYS A 31 -10.524 -15.316 1.311 1.00 32.32 C ATOM 470 C LYS A 31 -11.450 -15.899 0.238 1.00 72.24 C ATOM 471 O LYS A 31 -12.562 -16.328 0.533 1.00 45.44 O ATOM 472 CB LYS A 31 -10.708 -13.795 1.419 1.00 61.11 C ATOM 473 CG LYS A 31 -12.062 -13.375 1.972 1.00 73.15 C ATOM 474 CD LYS A 31 -12.262 -13.881 3.397 1.00 31.34 C ATOM 475 CE LYS A 31 -13.649 -13.552 3.920 1.00 11.34 C ATOM 476 NZ LYS A 31 -13.884 -12.092 4.011 1.00 73.40 N ATOM 0 H LYS A 31 -8.571 -14.874 0.681 1.00 12.24 H new ATOM 0 HA LYS A 31 -10.799 -15.768 2.264 1.00 32.32 H new ATOM 0 HB2 LYS A 31 -9.924 -13.389 2.058 1.00 61.11 H new ATOM 0 HB3 LYS A 31 -10.577 -13.352 0.432 1.00 61.11 H new ATOM 0 HG2 LYS A 31 -12.142 -12.288 1.956 1.00 73.15 H new ATOM 0 HG3 LYS A 31 -12.854 -13.763 1.332 1.00 73.15 H new ATOM 0 HD2 LYS A 31 -12.109 -14.960 3.425 1.00 31.34 H new ATOM 0 HD3 LYS A 31 -11.512 -13.436 4.050 1.00 31.34 H new ATOM 0 HE2 LYS A 31 -14.397 -13.998 3.265 1.00 11.34 H new ATOM 0 HE3 LYS A 31 -13.779 -14.001 4.905 1.00 11.34 H new ATOM 0 HZ1 LYS A 31 -14.786 -11.915 4.497 1.00 73.40 H new ATOM 0 HZ2 LYS A 31 -13.110 -11.648 4.546 1.00 73.40 H new ATOM 0 HZ3 LYS A 31 -13.921 -11.686 3.054 1.00 73.40 H new ATOM 490 N LYS A 32 -10.995 -15.889 -0.999 1.00 32.01 N ATOM 491 CA LYS A 32 -11.786 -16.466 -2.084 1.00 40.34 C ATOM 492 C LYS A 32 -11.907 -17.983 -1.920 1.00 45.31 C ATOM 493 O LYS A 32 -12.937 -18.574 -2.240 1.00 41.20 O ATOM 494 CB LYS A 32 -11.191 -16.123 -3.453 1.00 63.02 C ATOM 495 CG LYS A 32 -11.270 -14.641 -3.799 1.00 74.24 C ATOM 496 CD LYS A 32 -10.830 -14.368 -5.234 1.00 0.55 C ATOM 497 CE LYS A 32 -11.721 -15.090 -6.238 1.00 1.24 C ATOM 498 NZ LYS A 32 -11.445 -14.669 -7.633 1.00 12.22 N ATOM 0 H LYS A 32 -10.097 -15.496 -1.282 1.00 32.01 H new ATOM 0 HA LYS A 32 -12.783 -16.029 -2.032 1.00 40.34 H new ATOM 0 HB2 LYS A 32 -10.148 -16.438 -3.475 1.00 63.02 H new ATOM 0 HB3 LYS A 32 -11.713 -16.695 -4.220 1.00 63.02 H new ATOM 0 HG2 LYS A 32 -12.292 -14.290 -3.660 1.00 74.24 H new ATOM 0 HG3 LYS A 32 -10.642 -14.074 -3.112 1.00 74.24 H new ATOM 0 HD2 LYS A 32 -10.858 -13.295 -5.426 1.00 0.55 H new ATOM 0 HD3 LYS A 32 -9.797 -14.689 -5.366 1.00 0.55 H new ATOM 0 HE2 LYS A 32 -11.570 -16.166 -6.148 1.00 1.24 H new ATOM 0 HE3 LYS A 32 -12.767 -14.894 -6.001 1.00 1.24 H new ATOM 0 HZ1 LYS A 32 -12.073 -15.185 -8.282 1.00 12.22 H new ATOM 0 HZ2 LYS A 32 -11.614 -13.647 -7.727 1.00 12.22 H new ATOM 0 HZ3 LYS A 32 -10.454 -14.880 -7.870 1.00 12.22 H new ATOM 512 N LYS A 33 -10.850 -18.596 -1.408 1.00 2.24 N ATOM 513 CA LYS A 33 -10.851 -20.039 -1.182 1.00 62.53 C ATOM 514 C LYS A 33 -11.503 -20.396 0.155 1.00 73.34 C ATOM 515 O LYS A 33 -11.964 -21.516 0.350 1.00 5.52 O ATOM 516 CB LYS A 33 -9.434 -20.607 -1.259 1.00 24.43 C ATOM 517 CG LYS A 33 -8.760 -20.417 -2.616 1.00 54.11 C ATOM 518 CD LYS A 33 -9.545 -21.078 -3.749 1.00 34.41 C ATOM 519 CE LYS A 33 -9.618 -22.588 -3.577 1.00 44.51 C ATOM 520 NZ LYS A 33 -10.337 -23.244 -4.701 1.00 55.35 N ATOM 0 H LYS A 33 -9.986 -18.124 -1.142 1.00 2.24 H new ATOM 0 HA LYS A 33 -11.445 -20.493 -1.975 1.00 62.53 H new ATOM 0 HB2 LYS A 33 -8.822 -20.133 -0.492 1.00 24.43 H new ATOM 0 HB3 LYS A 33 -9.468 -21.672 -1.028 1.00 24.43 H new ATOM 0 HG2 LYS A 33 -8.656 -19.352 -2.822 1.00 54.11 H new ATOM 0 HG3 LYS A 33 -7.754 -20.835 -2.582 1.00 54.11 H new ATOM 0 HD2 LYS A 33 -10.554 -20.666 -3.781 1.00 34.41 H new ATOM 0 HD3 LYS A 33 -9.074 -20.843 -4.703 1.00 34.41 H new ATOM 0 HE2 LYS A 33 -8.609 -22.994 -3.507 1.00 44.51 H new ATOM 0 HE3 LYS A 33 -10.122 -22.822 -2.639 1.00 44.51 H new ATOM 0 HZ1 LYS A 33 -10.363 -24.272 -4.543 1.00 55.35 H new ATOM 0 HZ2 LYS A 33 -11.309 -22.877 -4.753 1.00 55.35 H new ATOM 0 HZ3 LYS A 33 -9.843 -23.043 -5.594 1.00 55.35 H new ATOM 534 N HIS A 34 -11.523 -19.445 1.074 1.00 52.54 N ATOM 535 CA HIS A 34 -12.152 -19.636 2.384 1.00 54.42 C ATOM 536 C HIS A 34 -12.986 -18.408 2.732 1.00 14.54 C ATOM 537 O HIS A 34 -12.514 -17.491 3.408 1.00 35.31 O ATOM 538 CB HIS A 34 -11.103 -19.904 3.477 1.00 22.03 C ATOM 539 CG HIS A 34 -10.324 -21.167 3.273 1.00 14.03 C ATOM 540 ND1 HIS A 34 -10.784 -22.405 3.656 1.00 40.42 N ATOM 541 CD2 HIS A 34 -9.109 -21.378 2.712 1.00 1.01 C ATOM 542 CE1 HIS A 34 -9.892 -23.321 3.341 1.00 72.42 C ATOM 543 NE2 HIS A 34 -8.867 -22.725 2.766 1.00 1.25 N ATOM 0 H HIS A 34 -11.109 -18.522 0.941 1.00 52.54 H new ATOM 0 HA HIS A 34 -12.800 -20.511 2.332 1.00 54.42 H new ATOM 0 HB2 HIS A 34 -10.410 -19.063 3.516 1.00 22.03 H new ATOM 0 HB3 HIS A 34 -11.604 -19.949 4.444 1.00 22.03 H new ATOM 0 HD2 HIS A 34 -8.454 -20.625 2.299 1.00 1.01 H new ATOM 0 HE1 HIS A 34 -9.985 -24.381 3.523 1.00 72.42 H new ATOM 0 HE2 HIS A 34 -8.029 -23.191 2.418 1.00 1.25 H new ATOM 552 N PRO A 35 -14.238 -18.375 2.248 1.00 53.13 N ATOM 553 CA PRO A 35 -15.135 -17.219 2.393 1.00 41.33 C ATOM 554 C PRO A 35 -15.583 -16.941 3.827 1.00 74.34 C ATOM 555 O PRO A 35 -15.926 -15.806 4.160 1.00 54.34 O ATOM 556 CB PRO A 35 -16.350 -17.592 1.524 1.00 10.45 C ATOM 557 CG PRO A 35 -15.898 -18.739 0.687 1.00 62.45 C ATOM 558 CD PRO A 35 -14.883 -19.463 1.507 1.00 4.43 C ATOM 0 HA PRO A 35 -14.624 -16.303 2.095 1.00 41.33 H new ATOM 0 HB2 PRO A 35 -17.205 -17.868 2.141 1.00 10.45 H new ATOM 0 HB3 PRO A 35 -16.663 -16.752 0.904 1.00 10.45 H new ATOM 0 HG2 PRO A 35 -16.733 -19.391 0.433 1.00 62.45 H new ATOM 0 HG3 PRO A 35 -15.467 -18.392 -0.252 1.00 62.45 H new ATOM 0 HD2 PRO A 35 -15.345 -20.190 2.175 1.00 4.43 H new ATOM 0 HD3 PRO A 35 -14.172 -20.007 0.885 1.00 4.43 H new ATOM 566 N ASP A 36 -15.577 -17.954 4.676 1.00 70.43 N ATOM 567 CA ASP A 36 -16.052 -17.770 6.042 1.00 4.44 C ATOM 568 C ASP A 36 -14.897 -17.523 7.002 1.00 13.43 C ATOM 569 O ASP A 36 -15.088 -17.378 8.214 1.00 20.20 O ATOM 570 CB ASP A 36 -16.883 -18.969 6.496 1.00 22.34 C ATOM 571 CG ASP A 36 -17.698 -18.662 7.734 1.00 2.04 C ATOM 572 OD1 ASP A 36 -18.567 -17.767 7.668 1.00 52.11 O ATOM 573 OD2 ASP A 36 -17.478 -19.312 8.779 1.00 51.35 O ATOM 0 H ASP A 36 -15.256 -18.896 4.453 1.00 70.43 H new ATOM 0 HA ASP A 36 -16.690 -16.886 6.053 1.00 4.44 H new ATOM 0 HB2 ASP A 36 -17.550 -19.273 5.690 1.00 22.34 H new ATOM 0 HB3 ASP A 36 -16.222 -19.812 6.698 1.00 22.34 H new ATOM 578 N ALA A 37 -13.701 -17.468 6.468 1.00 31.23 N ATOM 579 CA ALA A 37 -12.536 -17.197 7.276 1.00 35.45 C ATOM 580 C ALA A 37 -12.382 -15.696 7.485 1.00 0.23 C ATOM 581 O ALA A 37 -11.613 -15.040 6.781 1.00 43.23 O ATOM 582 CB ALA A 37 -11.290 -17.781 6.632 1.00 33.41 C ATOM 0 H ALA A 37 -13.508 -17.607 5.476 1.00 31.23 H new ATOM 0 HA ALA A 37 -12.667 -17.672 8.248 1.00 35.45 H new ATOM 0 HB1 ALA A 37 -10.423 -17.566 7.256 1.00 33.41 H new ATOM 0 HB2 ALA A 37 -11.405 -18.860 6.530 1.00 33.41 H new ATOM 0 HB3 ALA A 37 -11.147 -17.336 5.647 1.00 33.41 H new ATOM 588 N SER A 38 -13.162 -15.146 8.417 1.00 20.03 N ATOM 589 CA SER A 38 -13.143 -13.712 8.742 1.00 12.44 C ATOM 590 C SER A 38 -11.829 -13.229 9.394 1.00 22.22 C ATOM 591 O SER A 38 -11.860 -12.390 10.295 1.00 53.00 O ATOM 592 CB SER A 38 -14.328 -13.392 9.655 1.00 44.20 C ATOM 593 OG SER A 38 -15.552 -13.792 9.052 1.00 35.30 O ATOM 0 H SER A 38 -13.829 -15.682 8.972 1.00 20.03 H new ATOM 0 HA SER A 38 -13.218 -13.175 7.796 1.00 12.44 H new ATOM 0 HB2 SER A 38 -14.205 -13.901 10.611 1.00 44.20 H new ATOM 0 HB3 SER A 38 -14.353 -12.323 9.865 1.00 44.20 H new ATOM 0 HG SER A 38 -16.297 -13.580 9.652 1.00 35.30 H new ATOM 599 N VAL A 39 -10.705 -13.821 8.987 1.00 51.30 N ATOM 600 CA VAL A 39 -9.369 -13.345 9.412 1.00 61.15 C ATOM 601 C VAL A 39 -9.188 -11.818 9.100 1.00 11.20 C ATOM 602 O VAL A 39 -10.157 -11.076 8.994 1.00 41.14 O ATOM 603 CB VAL A 39 -8.241 -14.157 8.717 1.00 51.01 C ATOM 604 CG1 VAL A 39 -8.265 -15.604 9.180 1.00 44.55 C ATOM 605 CG2 VAL A 39 -8.371 -14.081 7.196 1.00 32.00 C ATOM 0 H VAL A 39 -10.683 -14.629 8.365 1.00 51.30 H new ATOM 0 HA VAL A 39 -9.298 -13.494 10.489 1.00 61.15 H new ATOM 0 HB VAL A 39 -7.284 -13.717 8.998 1.00 51.01 H new ATOM 0 HG11 VAL A 39 -7.469 -16.158 8.683 1.00 44.55 H new ATOM 0 HG12 VAL A 39 -8.116 -15.643 10.259 1.00 44.55 H new ATOM 0 HG13 VAL A 39 -9.228 -16.050 8.930 1.00 44.55 H new ATOM 0 HG21 VAL A 39 -7.570 -14.657 6.733 1.00 32.00 H new ATOM 0 HG22 VAL A 39 -9.335 -14.490 6.892 1.00 32.00 H new ATOM 0 HG23 VAL A 39 -8.301 -13.041 6.876 1.00 32.00 H new ATOM 615 N ASN A 40 -7.975 -11.362 8.915 1.00 21.23 N ATOM 616 CA ASN A 40 -7.772 -9.929 8.716 1.00 2.13 C ATOM 617 C ASN A 40 -6.408 -9.647 8.126 1.00 22.01 C ATOM 618 O ASN A 40 -5.469 -10.391 8.362 1.00 64.13 O ATOM 619 CB ASN A 40 -7.937 -9.183 10.055 1.00 14.03 C ATOM 620 CG ASN A 40 -7.851 -7.673 9.917 1.00 44.51 C ATOM 621 OD1 ASN A 40 -6.771 -7.094 10.000 1.00 44.34 O ATOM 622 ND2 ASN A 40 -8.984 -7.030 9.724 1.00 45.14 N ATOM 0 H ASN A 40 -7.130 -11.932 8.896 1.00 21.23 H new ATOM 0 HA ASN A 40 -8.524 -9.573 8.011 1.00 2.13 H new ATOM 0 HB2 ASN A 40 -8.900 -9.446 10.493 1.00 14.03 H new ATOM 0 HB3 ASN A 40 -7.168 -9.522 10.749 1.00 14.03 H new ATOM 0 HD21 ASN A 40 -8.985 -6.014 9.638 1.00 45.14 H new ATOM 0 HD22 ASN A 40 -9.860 -7.548 9.661 1.00 45.14 H new ATOM 629 N PHE A 41 -6.322 -8.561 7.365 1.00 14.21 N ATOM 630 CA PHE A 41 -5.072 -8.119 6.733 1.00 3.33 C ATOM 631 C PHE A 41 -3.923 -8.070 7.752 1.00 64.10 C ATOM 632 O PHE A 41 -2.805 -8.476 7.459 1.00 22.22 O ATOM 633 CB PHE A 41 -5.287 -6.728 6.107 1.00 51.03 C ATOM 634 CG PHE A 41 -4.130 -6.208 5.291 1.00 21.11 C ATOM 635 CD1 PHE A 41 -3.121 -5.460 5.883 1.00 54.00 C ATOM 636 CD2 PHE A 41 -4.061 -6.454 3.929 1.00 73.33 C ATOM 637 CE1 PHE A 41 -2.067 -4.973 5.133 1.00 31.45 C ATOM 638 CE2 PHE A 41 -3.012 -5.966 3.174 1.00 31.52 C ATOM 639 CZ PHE A 41 -2.014 -5.226 3.777 1.00 52.43 C ATOM 0 H PHE A 41 -7.118 -7.956 7.165 1.00 14.21 H new ATOM 0 HA PHE A 41 -4.798 -8.834 5.958 1.00 3.33 H new ATOM 0 HB2 PHE A 41 -6.172 -6.765 5.472 1.00 51.03 H new ATOM 0 HB3 PHE A 41 -5.498 -6.016 6.905 1.00 51.03 H new ATOM 0 HD1 PHE A 41 -3.160 -5.256 6.943 1.00 54.00 H new ATOM 0 HD2 PHE A 41 -4.837 -7.034 3.452 1.00 73.33 H new ATOM 0 HE1 PHE A 41 -1.287 -4.396 5.607 1.00 31.45 H new ATOM 0 HE2 PHE A 41 -2.972 -6.163 2.113 1.00 31.52 H new ATOM 0 HZ PHE A 41 -1.193 -4.845 3.188 1.00 52.43 H new ATOM 649 N SER A 42 -4.225 -7.576 8.945 1.00 41.12 N ATOM 650 CA SER A 42 -3.226 -7.468 9.997 1.00 63.02 C ATOM 651 C SER A 42 -2.684 -8.850 10.410 1.00 15.54 C ATOM 652 O SER A 42 -1.479 -9.101 10.328 1.00 65.11 O ATOM 653 CB SER A 42 -3.812 -6.738 11.209 1.00 23.31 C ATOM 654 OG SER A 42 -2.832 -6.521 12.210 1.00 3.21 O ATOM 0 H SER A 42 -5.153 -7.244 9.207 1.00 41.12 H new ATOM 0 HA SER A 42 -2.389 -6.891 9.605 1.00 63.02 H new ATOM 0 HB2 SER A 42 -4.228 -5.781 10.893 1.00 23.31 H new ATOM 0 HB3 SER A 42 -4.634 -7.321 11.624 1.00 23.31 H new ATOM 0 HG SER A 42 -3.238 -6.052 12.969 1.00 3.21 H new ATOM 660 N GLU A 43 -3.575 -9.750 10.831 1.00 15.23 N ATOM 661 CA GLU A 43 -3.159 -11.081 11.292 1.00 21.22 C ATOM 662 C GLU A 43 -2.711 -11.958 10.125 1.00 61.43 C ATOM 663 O GLU A 43 -2.005 -12.940 10.302 1.00 35.23 O ATOM 664 CB GLU A 43 -4.281 -11.756 12.079 1.00 11.35 C ATOM 665 CG GLU A 43 -5.520 -12.071 11.263 1.00 1.22 C ATOM 666 CD GLU A 43 -6.635 -12.632 12.111 1.00 33.12 C ATOM 667 OE1 GLU A 43 -6.513 -13.782 12.575 1.00 55.13 O ATOM 668 OE2 GLU A 43 -7.639 -11.921 12.321 1.00 34.34 O ATOM 0 H GLU A 43 -4.581 -9.586 10.863 1.00 15.23 H new ATOM 0 HA GLU A 43 -2.305 -10.951 11.956 1.00 21.22 H new ATOM 0 HB2 GLU A 43 -3.900 -12.682 12.509 1.00 11.35 H new ATOM 0 HB3 GLU A 43 -4.563 -11.111 12.911 1.00 11.35 H new ATOM 0 HG2 GLU A 43 -5.865 -11.165 10.766 1.00 1.22 H new ATOM 0 HG3 GLU A 43 -5.266 -12.787 10.481 1.00 1.22 H new ATOM 675 N PHE A 44 -3.122 -11.583 8.949 1.00 2.20 N ATOM 676 CA PHE A 44 -2.700 -12.325 7.780 1.00 35.51 C ATOM 677 C PHE A 44 -1.359 -11.841 7.254 1.00 40.51 C ATOM 678 O PHE A 44 -0.680 -12.555 6.519 1.00 30.45 O ATOM 679 CB PHE A 44 -3.773 -12.281 6.696 1.00 60.55 C ATOM 680 CG PHE A 44 -3.779 -13.493 5.822 1.00 64.25 C ATOM 681 CD1 PHE A 44 -3.709 -14.762 6.377 1.00 52.24 C ATOM 682 CD2 PHE A 44 -3.847 -13.373 4.452 1.00 35.31 C ATOM 683 CE1 PHE A 44 -3.707 -15.881 5.579 1.00 71.44 C ATOM 684 CE2 PHE A 44 -3.845 -14.494 3.648 1.00 24.21 C ATOM 685 CZ PHE A 44 -3.773 -15.747 4.213 1.00 11.32 C ATOM 0 H PHE A 44 -3.735 -10.788 8.767 1.00 2.20 H new ATOM 0 HA PHE A 44 -2.564 -13.364 8.081 1.00 35.51 H new ATOM 0 HB2 PHE A 44 -4.751 -12.176 7.166 1.00 60.55 H new ATOM 0 HB3 PHE A 44 -3.619 -11.396 6.078 1.00 60.55 H new ATOM 0 HD1 PHE A 44 -3.655 -14.872 7.450 1.00 52.24 H new ATOM 0 HD2 PHE A 44 -3.902 -12.392 4.003 1.00 35.31 H new ATOM 0 HE1 PHE A 44 -3.654 -16.863 6.025 1.00 71.44 H new ATOM 0 HE2 PHE A 44 -3.900 -14.388 2.575 1.00 24.21 H new ATOM 0 HZ PHE A 44 -3.768 -16.624 3.583 1.00 11.32 H new ATOM 695 N SER A 45 -0.953 -10.662 7.679 1.00 24.34 N ATOM 696 CA SER A 45 0.302 -10.093 7.228 1.00 42.32 C ATOM 697 C SER A 45 1.470 -10.920 7.755 1.00 5.03 C ATOM 698 O SER A 45 2.485 -11.093 7.075 1.00 73.14 O ATOM 699 CB SER A 45 0.425 -8.628 7.681 1.00 1.10 C ATOM 700 OG SER A 45 1.607 -8.023 7.170 1.00 23.21 O ATOM 0 H SER A 45 -1.473 -10.079 8.335 1.00 24.34 H new ATOM 0 HA SER A 45 0.325 -10.113 6.138 1.00 42.32 H new ATOM 0 HB2 SER A 45 -0.447 -8.067 7.344 1.00 1.10 H new ATOM 0 HB3 SER A 45 0.433 -8.582 8.770 1.00 1.10 H new ATOM 0 HG SER A 45 1.656 -7.093 7.474 1.00 23.21 H new ATOM 706 N LYS A 46 1.305 -11.470 8.955 1.00 61.21 N ATOM 707 CA LYS A 46 2.354 -12.260 9.569 1.00 72.33 C ATOM 708 C LYS A 46 2.536 -13.616 8.876 1.00 74.03 C ATOM 709 O LYS A 46 3.635 -14.149 8.848 1.00 22.33 O ATOM 710 CB LYS A 46 2.138 -12.405 11.095 1.00 24.34 C ATOM 711 CG LYS A 46 0.791 -12.979 11.525 1.00 52.10 C ATOM 712 CD LYS A 46 0.800 -14.501 11.570 1.00 61.21 C ATOM 713 CE LYS A 46 -0.551 -15.059 12.009 1.00 21.53 C ATOM 714 NZ LYS A 46 -0.967 -14.557 13.349 1.00 33.22 N ATOM 0 H LYS A 46 0.457 -11.381 9.515 1.00 61.21 H new ATOM 0 HA LYS A 46 3.289 -11.717 9.430 1.00 72.33 H new ATOM 0 HB2 LYS A 46 2.927 -13.042 11.495 1.00 24.34 H new ATOM 0 HB3 LYS A 46 2.256 -11.424 11.554 1.00 24.34 H new ATOM 0 HG2 LYS A 46 0.530 -12.590 12.509 1.00 52.10 H new ATOM 0 HG3 LYS A 46 0.018 -12.643 10.834 1.00 52.10 H new ATOM 0 HD2 LYS A 46 1.053 -14.893 10.585 1.00 61.21 H new ATOM 0 HD3 LYS A 46 1.575 -14.841 12.257 1.00 61.21 H new ATOM 0 HE2 LYS A 46 -1.308 -14.790 11.273 1.00 21.53 H new ATOM 0 HE3 LYS A 46 -0.501 -16.148 12.032 1.00 21.53 H new ATOM 0 HZ1 LYS A 46 -1.778 -15.111 13.691 1.00 33.22 H new ATOM 0 HZ2 LYS A 46 -0.176 -14.653 14.017 1.00 33.22 H new ATOM 0 HZ3 LYS A 46 -1.238 -13.556 13.276 1.00 33.22 H new ATOM 728 N LYS A 47 1.467 -14.177 8.317 1.00 52.45 N ATOM 729 CA LYS A 47 1.578 -15.448 7.604 1.00 73.20 C ATOM 730 C LYS A 47 1.998 -15.203 6.144 1.00 43.23 C ATOM 731 O LYS A 47 2.753 -15.964 5.573 1.00 53.22 O ATOM 732 CB LYS A 47 0.233 -16.209 7.676 1.00 44.53 C ATOM 733 CG LYS A 47 0.340 -17.729 7.488 1.00 24.50 C ATOM 734 CD LYS A 47 0.560 -18.126 6.034 1.00 42.51 C ATOM 735 CE LYS A 47 -0.717 -17.998 5.209 1.00 52.32 C ATOM 736 NZ LYS A 47 -1.766 -18.953 5.656 1.00 22.51 N ATOM 0 H LYS A 47 0.528 -13.780 8.342 1.00 52.45 H new ATOM 0 HA LYS A 47 2.345 -16.061 8.077 1.00 73.20 H new ATOM 0 HB2 LYS A 47 -0.230 -16.009 8.642 1.00 44.53 H new ATOM 0 HB3 LYS A 47 -0.435 -15.809 6.913 1.00 44.53 H new ATOM 0 HG2 LYS A 47 1.163 -18.109 8.093 1.00 24.50 H new ATOM 0 HG3 LYS A 47 -0.571 -18.202 7.856 1.00 24.50 H new ATOM 0 HD2 LYS A 47 1.337 -17.497 5.600 1.00 42.51 H new ATOM 0 HD3 LYS A 47 0.920 -19.154 5.989 1.00 42.51 H new ATOM 0 HE2 LYS A 47 -1.098 -16.979 5.285 1.00 52.32 H new ATOM 0 HE3 LYS A 47 -0.489 -18.175 4.158 1.00 52.32 H new ATOM 0 HZ1 LYS A 47 -2.482 -19.057 4.909 1.00 22.51 H new ATOM 0 HZ2 LYS A 47 -1.333 -19.878 5.852 1.00 22.51 H new ATOM 0 HZ3 LYS A 47 -2.218 -18.593 6.521 1.00 22.51 H new ATOM 750 N CYS A 48 1.499 -14.136 5.574 1.00 44.14 N ATOM 751 CA CYS A 48 1.857 -13.797 4.191 1.00 15.45 C ATOM 752 C CYS A 48 3.341 -13.451 4.036 1.00 71.42 C ATOM 753 O CYS A 48 3.996 -13.933 3.111 1.00 23.12 O ATOM 754 CB CYS A 48 0.976 -12.674 3.643 1.00 72.51 C ATOM 755 SG CYS A 48 -0.779 -13.132 3.472 1.00 73.12 S ATOM 0 H CYS A 48 0.853 -13.487 6.024 1.00 44.14 H new ATOM 0 HA CYS A 48 1.674 -14.693 3.598 1.00 15.45 H new ATOM 0 HB2 CYS A 48 1.054 -11.810 4.302 1.00 72.51 H new ATOM 0 HB3 CYS A 48 1.358 -12.367 2.669 1.00 72.51 H new ATOM 760 N SER A 49 3.850 -12.610 4.930 1.00 11.10 N ATOM 761 CA SER A 49 5.254 -12.167 4.906 1.00 70.33 C ATOM 762 C SER A 49 6.263 -13.297 4.592 1.00 3.24 C ATOM 763 O SER A 49 7.129 -13.130 3.732 1.00 14.14 O ATOM 764 CB SER A 49 5.609 -11.495 6.231 1.00 45.22 C ATOM 765 OG SER A 49 5.119 -12.246 7.325 1.00 61.42 O ATOM 0 H SER A 49 3.306 -12.211 5.696 1.00 11.10 H new ATOM 0 HA SER A 49 5.337 -11.454 4.085 1.00 70.33 H new ATOM 0 HB2 SER A 49 6.691 -11.391 6.312 1.00 45.22 H new ATOM 0 HB3 SER A 49 5.189 -10.490 6.258 1.00 45.22 H new ATOM 0 HG SER A 49 4.179 -12.019 7.482 1.00 61.42 H new ATOM 771 N GLU A 50 6.140 -14.438 5.274 1.00 63.13 N ATOM 772 CA GLU A 50 7.082 -15.554 5.078 1.00 3.20 C ATOM 773 C GLU A 50 7.116 -16.060 3.624 1.00 11.12 C ATOM 774 O GLU A 50 8.160 -16.504 3.135 1.00 42.12 O ATOM 775 CB GLU A 50 6.821 -16.698 6.086 1.00 52.04 C ATOM 776 CG GLU A 50 5.406 -17.273 6.083 1.00 22.54 C ATOM 777 CD GLU A 50 5.217 -18.404 5.089 1.00 1.43 C ATOM 778 OE1 GLU A 50 5.764 -19.508 5.326 1.00 43.24 O ATOM 779 OE2 GLU A 50 4.519 -18.208 4.079 1.00 24.51 O ATOM 0 H GLU A 50 5.407 -14.618 5.961 1.00 63.13 H new ATOM 0 HA GLU A 50 8.078 -15.160 5.280 1.00 3.20 H new ATOM 0 HB2 GLU A 50 7.522 -17.506 5.880 1.00 52.04 H new ATOM 0 HB3 GLU A 50 7.043 -16.332 7.088 1.00 52.04 H new ATOM 0 HG2 GLU A 50 5.167 -17.634 7.083 1.00 22.54 H new ATOM 0 HG3 GLU A 50 4.698 -16.476 5.854 1.00 22.54 H new ATOM 786 N ARG A 51 5.986 -15.976 2.932 1.00 73.41 N ATOM 787 CA ARG A 51 5.915 -16.382 1.534 1.00 31.03 C ATOM 788 C ARG A 51 6.595 -15.334 0.651 1.00 73.11 C ATOM 789 O ARG A 51 7.294 -15.668 -0.301 1.00 75.45 O ATOM 790 CB ARG A 51 4.453 -16.589 1.122 1.00 52.43 C ATOM 791 CG ARG A 51 4.236 -16.888 -0.354 1.00 14.40 C ATOM 792 CD ARG A 51 2.759 -17.124 -0.642 1.00 55.02 C ATOM 793 NE ARG A 51 2.446 -17.034 -2.069 1.00 4.11 N ATOM 794 CZ ARG A 51 1.247 -16.681 -2.557 1.00 73.12 C ATOM 795 NH1 ARG A 51 0.230 -16.428 -1.736 1.00 10.31 N ATOM 796 NH2 ARG A 51 1.066 -16.592 -3.866 1.00 23.55 N ATOM 0 H ARG A 51 5.107 -15.630 3.316 1.00 73.41 H new ATOM 0 HA ARG A 51 6.441 -17.328 1.405 1.00 31.03 H new ATOM 0 HB2 ARG A 51 4.039 -17.410 1.708 1.00 52.43 H new ATOM 0 HB3 ARG A 51 3.888 -15.694 1.383 1.00 52.43 H new ATOM 0 HG2 ARG A 51 4.601 -16.056 -0.957 1.00 14.40 H new ATOM 0 HG3 ARG A 51 4.813 -17.767 -0.641 1.00 14.40 H new ATOM 0 HD2 ARG A 51 2.472 -18.108 -0.272 1.00 55.02 H new ATOM 0 HD3 ARG A 51 2.164 -16.392 -0.096 1.00 55.02 H new ATOM 0 HE ARG A 51 3.187 -17.254 -2.735 1.00 4.11 H new ATOM 0 HH11 ARG A 51 0.359 -16.502 -0.727 1.00 10.31 H new ATOM 0 HH12 ARG A 51 -0.678 -16.160 -2.116 1.00 10.31 H new ATOM 0 HH21 ARG A 51 1.838 -16.792 -4.502 1.00 23.55 H new ATOM 0 HH22 ARG A 51 0.155 -16.324 -4.238 1.00 23.55 H new ATOM 810 N TRP A 52 6.383 -14.088 0.976 1.00 12.14 N ATOM 811 CA TRP A 52 7.020 -12.976 0.265 1.00 50.15 C ATOM 812 C TRP A 52 8.542 -13.102 0.369 1.00 72.54 C ATOM 813 O TRP A 52 9.270 -12.848 -0.592 1.00 1.45 O ATOM 814 CB TRP A 52 6.555 -11.626 0.851 1.00 25.21 C ATOM 815 CG TRP A 52 7.289 -10.426 0.305 1.00 41.21 C ATOM 816 CD1 TRP A 52 8.296 -9.733 0.917 1.00 51.43 C ATOM 817 CD2 TRP A 52 7.075 -9.781 -0.958 1.00 23.11 C ATOM 818 NE1 TRP A 52 8.718 -8.702 0.114 1.00 21.42 N ATOM 819 CE2 TRP A 52 7.985 -8.710 -1.042 1.00 14.53 C ATOM 820 CE3 TRP A 52 6.204 -10.002 -2.025 1.00 44.42 C ATOM 821 CZ2 TRP A 52 8.045 -7.867 -2.149 1.00 4.33 C ATOM 822 CZ3 TRP A 52 6.266 -9.167 -3.123 1.00 53.41 C ATOM 823 CH2 TRP A 52 7.180 -8.112 -3.177 1.00 61.33 C ATOM 0 H TRP A 52 5.768 -13.799 1.737 1.00 12.14 H new ATOM 0 HA TRP A 52 6.729 -13.014 -0.785 1.00 50.15 H new ATOM 0 HB2 TRP A 52 5.490 -11.506 0.655 1.00 25.21 H new ATOM 0 HB3 TRP A 52 6.679 -11.651 1.934 1.00 25.21 H new ATOM 0 HD1 TRP A 52 8.701 -9.963 1.891 1.00 51.43 H new ATOM 0 HE1 TRP A 52 9.458 -8.038 0.342 1.00 21.42 H new ATOM 0 HE3 TRP A 52 5.492 -10.814 -1.993 1.00 44.42 H new ATOM 0 HZ2 TRP A 52 8.750 -7.050 -2.193 1.00 4.33 H new ATOM 0 HZ3 TRP A 52 5.596 -9.332 -3.954 1.00 53.41 H new ATOM 0 HH2 TRP A 52 7.203 -7.477 -4.050 1.00 61.33 H new ATOM 834 N LYS A 53 9.001 -13.527 1.535 1.00 64.35 N ATOM 835 CA LYS A 53 10.422 -13.687 1.807 1.00 72.24 C ATOM 836 C LYS A 53 11.019 -14.880 1.055 1.00 53.13 C ATOM 837 O LYS A 53 12.224 -14.922 0.796 1.00 63.11 O ATOM 838 CB LYS A 53 10.651 -13.850 3.310 1.00 34.33 C ATOM 839 CG LYS A 53 10.228 -12.642 4.135 1.00 43.40 C ATOM 840 CD LYS A 53 10.351 -12.906 5.632 1.00 74.43 C ATOM 841 CE LYS A 53 11.801 -13.104 6.060 1.00 22.14 C ATOM 842 NZ LYS A 53 12.603 -11.859 5.928 1.00 13.23 N ATOM 0 H LYS A 53 8.399 -13.771 2.321 1.00 64.35 H new ATOM 0 HA LYS A 53 10.928 -12.788 1.454 1.00 72.24 H new ATOM 0 HB2 LYS A 53 10.102 -14.725 3.658 1.00 34.33 H new ATOM 0 HB3 LYS A 53 11.709 -14.046 3.487 1.00 34.33 H new ATOM 0 HG2 LYS A 53 10.844 -11.784 3.866 1.00 43.40 H new ATOM 0 HG3 LYS A 53 9.197 -12.382 3.896 1.00 43.40 H new ATOM 0 HD2 LYS A 53 9.921 -12.070 6.184 1.00 74.43 H new ATOM 0 HD3 LYS A 53 9.772 -13.792 5.893 1.00 74.43 H new ATOM 0 HE2 LYS A 53 11.829 -13.443 7.095 1.00 22.14 H new ATOM 0 HE3 LYS A 53 12.252 -13.890 5.455 1.00 22.14 H new ATOM 0 HZ1 LYS A 53 13.528 -11.992 6.385 1.00 13.23 H new ATOM 0 HZ2 LYS A 53 12.742 -11.641 4.921 1.00 13.23 H new ATOM 0 HZ3 LYS A 53 12.101 -11.072 6.386 1.00 13.23 H new ATOM 856 N THR A 54 10.187 -15.845 0.702 1.00 42.13 N ATOM 857 CA THR A 54 10.666 -17.024 0.003 1.00 41.21 C ATOM 858 C THR A 54 10.570 -16.877 -1.515 1.00 34.02 C ATOM 859 O THR A 54 11.159 -17.665 -2.261 1.00 54.14 O ATOM 860 CB THR A 54 9.929 -18.296 0.459 1.00 11.22 C ATOM 861 OG1 THR A 54 8.549 -18.002 0.705 1.00 41.34 O ATOM 862 CG2 THR A 54 10.565 -18.862 1.715 1.00 51.42 C ATOM 0 H THR A 54 9.184 -15.836 0.886 1.00 42.13 H new ATOM 0 HA THR A 54 11.720 -17.123 0.264 1.00 41.21 H new ATOM 0 HB THR A 54 10.003 -19.039 -0.335 1.00 11.22 H new ATOM 0 HG1 THR A 54 8.462 -17.537 1.563 1.00 41.34 H new ATOM 0 HG21 THR A 54 10.029 -19.761 2.021 1.00 51.42 H new ATOM 0 HG22 THR A 54 11.607 -19.111 1.515 1.00 51.42 H new ATOM 0 HG23 THR A 54 10.516 -18.121 2.513 1.00 51.42 H new ATOM 870 N MET A 55 9.841 -15.873 -1.975 1.00 14.42 N ATOM 871 CA MET A 55 9.707 -15.641 -3.405 1.00 63.45 C ATOM 872 C MET A 55 10.966 -15.006 -3.971 1.00 21.43 C ATOM 873 O MET A 55 11.557 -14.113 -3.357 1.00 31.44 O ATOM 874 CB MET A 55 8.493 -14.775 -3.724 1.00 3.32 C ATOM 875 CG MET A 55 7.161 -15.447 -3.441 1.00 63.05 C ATOM 876 SD MET A 55 5.784 -14.616 -4.257 1.00 71.23 S ATOM 877 CE MET A 55 6.015 -12.937 -3.691 1.00 40.53 C ATOM 0 H MET A 55 9.337 -15.211 -1.385 1.00 14.42 H new ATOM 0 HA MET A 55 9.560 -16.613 -3.877 1.00 63.45 H new ATOM 0 HB2 MET A 55 8.554 -13.854 -3.143 1.00 3.32 H new ATOM 0 HB3 MET A 55 8.529 -14.491 -4.776 1.00 3.32 H new ATOM 0 HG2 MET A 55 7.203 -16.485 -3.772 1.00 63.05 H new ATOM 0 HG3 MET A 55 6.986 -15.462 -2.365 1.00 63.05 H new ATOM 0 HE1 MET A 55 5.069 -12.399 -3.752 1.00 40.53 H new ATOM 0 HE2 MET A 55 6.361 -12.946 -2.658 1.00 40.53 H new ATOM 0 HE3 MET A 55 6.756 -12.440 -4.318 1.00 40.53 H new ATOM 887 N SER A 56 11.377 -15.479 -5.131 1.00 11.23 N ATOM 888 CA SER A 56 12.580 -14.996 -5.779 1.00 34.52 C ATOM 889 C SER A 56 12.348 -13.633 -6.452 1.00 31.43 C ATOM 890 O SER A 56 11.210 -13.155 -6.548 1.00 62.34 O ATOM 891 CB SER A 56 13.044 -16.017 -6.812 1.00 43.40 C ATOM 892 OG SER A 56 13.090 -17.321 -6.253 1.00 72.01 O ATOM 0 H SER A 56 10.887 -16.208 -5.650 1.00 11.23 H new ATOM 0 HA SER A 56 13.350 -14.863 -5.019 1.00 34.52 H new ATOM 0 HB2 SER A 56 12.368 -16.008 -7.667 1.00 43.40 H new ATOM 0 HB3 SER A 56 14.031 -15.741 -7.183 1.00 43.40 H new ATOM 0 HG SER A 56 13.389 -17.959 -6.935 1.00 72.01 H new ATOM 898 N ALA A 57 13.439 -13.030 -6.914 1.00 33.03 N ATOM 899 CA ALA A 57 13.385 -11.723 -7.576 1.00 1.31 C ATOM 900 C ALA A 57 12.425 -11.720 -8.768 1.00 31.33 C ATOM 901 O ALA A 57 11.727 -10.732 -9.012 1.00 2.24 O ATOM 902 CB ALA A 57 14.771 -11.303 -8.018 1.00 34.30 C ATOM 0 H ALA A 57 14.377 -13.425 -6.843 1.00 33.03 H new ATOM 0 HA ALA A 57 13.004 -11.005 -6.850 1.00 1.31 H new ATOM 0 HB1 ALA A 57 14.718 -10.331 -8.508 1.00 34.30 H new ATOM 0 HB2 ALA A 57 15.425 -11.236 -7.149 1.00 34.30 H new ATOM 0 HB3 ALA A 57 15.169 -12.040 -8.716 1.00 34.30 H new ATOM 908 N LYS A 58 12.386 -12.824 -9.501 1.00 15.43 N ATOM 909 CA LYS A 58 11.492 -12.954 -10.653 1.00 24.40 C ATOM 910 C LYS A 58 10.030 -12.911 -10.218 1.00 53.00 C ATOM 911 O LYS A 58 9.187 -12.314 -10.891 1.00 22.00 O ATOM 912 CB LYS A 58 11.773 -14.257 -11.403 1.00 24.24 C ATOM 913 CG LYS A 58 13.019 -14.221 -12.272 1.00 25.23 C ATOM 914 CD LYS A 58 12.826 -13.297 -13.462 1.00 22.55 C ATOM 915 CE LYS A 58 13.980 -13.400 -14.440 1.00 75.13 C ATOM 916 NZ LYS A 58 13.688 -12.689 -15.707 1.00 32.30 N ATOM 0 H LYS A 58 12.962 -13.646 -9.321 1.00 15.43 H new ATOM 0 HA LYS A 58 11.680 -12.112 -11.319 1.00 24.40 H new ATOM 0 HB2 LYS A 58 11.872 -15.065 -10.679 1.00 24.24 H new ATOM 0 HB3 LYS A 58 10.914 -14.495 -12.030 1.00 24.24 H new ATOM 0 HG2 LYS A 58 13.870 -13.884 -11.680 1.00 25.23 H new ATOM 0 HG3 LYS A 58 13.252 -15.227 -12.622 1.00 25.23 H new ATOM 0 HD2 LYS A 58 11.894 -13.546 -13.970 1.00 22.55 H new ATOM 0 HD3 LYS A 58 12.734 -12.268 -13.114 1.00 22.55 H new ATOM 0 HE2 LYS A 58 14.879 -12.983 -13.987 1.00 75.13 H new ATOM 0 HE3 LYS A 58 14.186 -14.449 -14.650 1.00 75.13 H new ATOM 0 HZ1 LYS A 58 14.499 -12.781 -16.351 1.00 32.30 H new ATOM 0 HZ2 LYS A 58 12.844 -13.104 -16.151 1.00 32.30 H new ATOM 0 HZ3 LYS A 58 13.516 -11.683 -15.509 1.00 32.30 H new ATOM 930 N GLU A 59 9.752 -13.522 -9.079 1.00 15.04 N ATOM 931 CA GLU A 59 8.401 -13.590 -8.537 1.00 1.12 C ATOM 932 C GLU A 59 7.947 -12.221 -8.051 1.00 5.32 C ATOM 933 O GLU A 59 6.768 -11.884 -8.115 1.00 33.52 O ATOM 934 CB GLU A 59 8.357 -14.579 -7.378 1.00 21.41 C ATOM 935 CG GLU A 59 8.839 -15.975 -7.732 1.00 61.03 C ATOM 936 CD GLU A 59 8.063 -16.582 -8.869 1.00 44.33 C ATOM 937 OE1 GLU A 59 6.866 -16.874 -8.685 1.00 42.42 O ATOM 938 OE2 GLU A 59 8.645 -16.775 -9.955 1.00 30.43 O ATOM 0 H GLU A 59 10.454 -13.985 -8.502 1.00 15.04 H new ATOM 0 HA GLU A 59 7.730 -13.923 -9.329 1.00 1.12 H new ATOM 0 HB2 GLU A 59 8.967 -14.192 -6.562 1.00 21.41 H new ATOM 0 HB3 GLU A 59 7.334 -14.643 -7.008 1.00 21.41 H new ATOM 0 HG2 GLU A 59 9.895 -15.934 -7.998 1.00 61.03 H new ATOM 0 HG3 GLU A 59 8.756 -16.618 -6.856 1.00 61.03 H new ATOM 945 N LYS A 60 8.898 -11.430 -7.588 1.00 24.23 N ATOM 946 CA LYS A 60 8.614 -10.103 -7.070 1.00 42.20 C ATOM 947 C LYS A 60 8.537 -9.085 -8.192 1.00 51.55 C ATOM 948 O LYS A 60 7.937 -8.023 -8.037 1.00 55.22 O ATOM 949 CB LYS A 60 9.670 -9.692 -6.046 1.00 44.31 C ATOM 950 CG LYS A 60 9.717 -10.598 -4.826 1.00 50.14 C ATOM 951 CD LYS A 60 10.777 -10.147 -3.841 1.00 43.42 C ATOM 952 CE LYS A 60 10.814 -11.046 -2.618 1.00 3.42 C ATOM 953 NZ LYS A 60 11.829 -10.604 -1.635 1.00 14.50 N ATOM 0 H LYS A 60 9.885 -11.687 -7.560 1.00 24.23 H new ATOM 0 HA LYS A 60 7.643 -10.134 -6.576 1.00 42.20 H new ATOM 0 HB2 LYS A 60 10.649 -9.691 -6.526 1.00 44.31 H new ATOM 0 HB3 LYS A 60 9.472 -8.670 -5.722 1.00 44.31 H new ATOM 0 HG2 LYS A 60 8.743 -10.603 -4.337 1.00 50.14 H new ATOM 0 HG3 LYS A 60 9.922 -11.622 -5.139 1.00 50.14 H new ATOM 0 HD2 LYS A 60 11.753 -10.151 -4.327 1.00 43.42 H new ATOM 0 HD3 LYS A 60 10.578 -9.120 -3.534 1.00 43.42 H new ATOM 0 HE2 LYS A 60 9.832 -11.056 -2.145 1.00 3.42 H new ATOM 0 HE3 LYS A 60 11.029 -12.069 -2.926 1.00 3.42 H new ATOM 0 HZ1 LYS A 60 11.821 -11.245 -0.816 1.00 14.50 H new ATOM 0 HZ2 LYS A 60 12.770 -10.619 -2.077 1.00 14.50 H new ATOM 0 HZ3 LYS A 60 11.610 -9.637 -1.320 1.00 14.50 H new ATOM 967 N GLY A 61 9.130 -9.429 -9.331 1.00 12.41 N ATOM 968 CA GLY A 61 9.114 -8.546 -10.481 1.00 72.22 C ATOM 969 C GLY A 61 7.711 -8.267 -10.961 1.00 4.41 C ATOM 970 O GLY A 61 7.425 -7.188 -11.482 1.00 14.22 O ATOM 0 H GLY A 61 9.624 -10.309 -9.477 1.00 12.41 H new ATOM 0 HA2 GLY A 61 9.602 -7.606 -10.223 1.00 72.22 H new ATOM 0 HA3 GLY A 61 9.691 -8.994 -11.290 1.00 72.22 H new ATOM 974 N LYS A 62 6.831 -9.239 -10.771 1.00 73.22 N ATOM 975 CA LYS A 62 5.443 -9.096 -11.155 1.00 22.21 C ATOM 976 C LYS A 62 4.754 -8.084 -10.250 1.00 4.21 C ATOM 977 O LYS A 62 4.005 -7.228 -10.713 1.00 4.41 O ATOM 978 CB LYS A 62 4.728 -10.445 -11.079 1.00 42.50 C ATOM 979 CG LYS A 62 3.279 -10.398 -11.528 1.00 13.41 C ATOM 980 CD LYS A 62 2.619 -11.758 -11.411 1.00 41.30 C ATOM 981 CE LYS A 62 1.193 -11.729 -11.933 1.00 15.24 C ATOM 982 NZ LYS A 62 1.134 -11.342 -13.365 1.00 51.25 N ATOM 0 H LYS A 62 7.060 -10.139 -10.350 1.00 73.22 H new ATOM 0 HA LYS A 62 5.399 -8.738 -12.184 1.00 22.21 H new ATOM 0 HB2 LYS A 62 5.266 -11.166 -11.695 1.00 42.50 H new ATOM 0 HB3 LYS A 62 4.769 -10.810 -10.053 1.00 42.50 H new ATOM 0 HG2 LYS A 62 2.733 -9.674 -10.924 1.00 13.41 H new ATOM 0 HG3 LYS A 62 3.228 -10.055 -12.561 1.00 13.41 H new ATOM 0 HD2 LYS A 62 3.197 -12.494 -11.969 1.00 41.30 H new ATOM 0 HD3 LYS A 62 2.620 -12.076 -10.368 1.00 41.30 H new ATOM 0 HE2 LYS A 62 0.739 -12.712 -11.804 1.00 15.24 H new ATOM 0 HE3 LYS A 62 0.605 -11.026 -11.343 1.00 15.24 H new ATOM 0 HZ1 LYS A 62 0.202 -11.591 -13.754 1.00 51.25 H new ATOM 0 HZ2 LYS A 62 1.284 -10.317 -13.454 1.00 51.25 H new ATOM 0 HZ3 LYS A 62 1.875 -11.847 -13.892 1.00 51.25 H new ATOM 996 N PHE A 63 5.026 -8.184 -8.951 1.00 24.10 N ATOM 997 CA PHE A 63 4.446 -7.272 -7.978 1.00 34.04 C ATOM 998 C PHE A 63 4.958 -5.862 -8.198 1.00 62.15 C ATOM 999 O PHE A 63 4.217 -4.892 -8.024 1.00 4.03 O ATOM 1000 CB PHE A 63 4.725 -7.746 -6.550 1.00 5.21 C ATOM 1001 CG PHE A 63 3.979 -9.004 -6.193 1.00 14.13 C ATOM 1002 CD1 PHE A 63 4.526 -10.249 -6.458 1.00 2.01 C ATOM 1003 CD2 PHE A 63 2.725 -8.938 -5.606 1.00 13.14 C ATOM 1004 CE1 PHE A 63 3.837 -11.404 -6.140 1.00 50.42 C ATOM 1005 CE2 PHE A 63 2.032 -10.089 -5.288 1.00 11.45 C ATOM 1006 CZ PHE A 63 2.588 -11.323 -5.556 1.00 33.03 C ATOM 0 H PHE A 63 5.645 -8.889 -8.551 1.00 24.10 H new ATOM 0 HA PHE A 63 3.365 -7.264 -8.118 1.00 34.04 H new ATOM 0 HB2 PHE A 63 5.795 -7.919 -6.433 1.00 5.21 H new ATOM 0 HB3 PHE A 63 4.451 -6.956 -5.851 1.00 5.21 H new ATOM 0 HD1 PHE A 63 5.501 -10.318 -6.918 1.00 2.01 H new ATOM 0 HD2 PHE A 63 2.285 -7.975 -5.395 1.00 13.14 H new ATOM 0 HE1 PHE A 63 4.275 -12.369 -6.348 1.00 50.42 H new ATOM 0 HE2 PHE A 63 1.056 -10.024 -4.830 1.00 11.45 H new ATOM 0 HZ PHE A 63 2.047 -12.225 -5.309 1.00 33.03 H new ATOM 1016 N GLU A 64 6.224 -5.754 -8.590 1.00 2.01 N ATOM 1017 CA GLU A 64 6.810 -4.471 -8.924 1.00 71.23 C ATOM 1018 C GLU A 64 6.032 -3.846 -10.077 1.00 22.01 C ATOM 1019 O GLU A 64 5.384 -2.822 -9.908 1.00 71.43 O ATOM 1020 CB GLU A 64 8.284 -4.635 -9.311 1.00 74.04 C ATOM 1021 CG GLU A 64 9.189 -5.068 -8.168 1.00 21.22 C ATOM 1022 CD GLU A 64 9.296 -4.021 -7.082 1.00 61.45 C ATOM 1023 OE1 GLU A 64 9.816 -2.920 -7.364 1.00 51.42 O ATOM 1024 OE2 GLU A 64 8.872 -4.290 -5.941 1.00 43.30 O ATOM 0 H GLU A 64 6.861 -6.545 -8.683 1.00 2.01 H new ATOM 0 HA GLU A 64 6.757 -3.819 -8.052 1.00 71.23 H new ATOM 0 HB2 GLU A 64 8.357 -5.369 -10.114 1.00 74.04 H new ATOM 0 HB3 GLU A 64 8.650 -3.689 -9.710 1.00 74.04 H new ATOM 0 HG2 GLU A 64 8.807 -5.994 -7.738 1.00 21.22 H new ATOM 0 HG3 GLU A 64 10.183 -5.284 -8.559 1.00 21.22 H new ATOM 1031 N ASP A 65 6.142 -4.462 -11.257 1.00 24.52 N ATOM 1032 CA ASP A 65 5.381 -4.053 -12.455 1.00 44.51 C ATOM 1033 C ASP A 65 3.928 -3.665 -12.149 1.00 25.21 C ATOM 1034 O ASP A 65 3.475 -2.584 -12.548 1.00 32.22 O ATOM 1035 CB ASP A 65 5.401 -5.161 -13.503 1.00 73.34 C ATOM 1036 CG ASP A 65 4.539 -4.834 -14.700 1.00 34.42 C ATOM 1037 OD1 ASP A 65 4.942 -3.979 -15.514 1.00 61.42 O ATOM 1038 OD2 ASP A 65 3.457 -5.438 -14.842 1.00 33.51 O ATOM 0 H ASP A 65 6.759 -5.259 -11.415 1.00 24.52 H new ATOM 0 HA ASP A 65 5.878 -3.162 -12.839 1.00 44.51 H new ATOM 0 HB2 ASP A 65 6.427 -5.329 -13.832 1.00 73.34 H new ATOM 0 HB3 ASP A 65 5.055 -6.091 -13.052 1.00 73.34 H new ATOM 1043 N MET A 66 3.200 -4.533 -11.451 1.00 13.12 N ATOM 1044 CA MET A 66 1.801 -4.248 -11.115 1.00 31.22 C ATOM 1045 C MET A 66 1.687 -2.959 -10.306 1.00 71.10 C ATOM 1046 O MET A 66 0.778 -2.156 -10.524 1.00 34.11 O ATOM 1047 CB MET A 66 1.151 -5.416 -10.358 1.00 41.32 C ATOM 1048 CG MET A 66 0.997 -6.679 -11.197 1.00 73.41 C ATOM 1049 SD MET A 66 0.068 -7.986 -10.356 1.00 42.22 S ATOM 1050 CE MET A 66 1.069 -8.241 -8.894 1.00 50.22 C ATOM 0 H MET A 66 3.547 -5.429 -11.109 1.00 13.12 H new ATOM 0 HA MET A 66 1.262 -4.118 -12.053 1.00 31.22 H new ATOM 0 HB2 MET A 66 1.751 -5.646 -9.478 1.00 41.32 H new ATOM 0 HB3 MET A 66 0.169 -5.105 -10.002 1.00 41.32 H new ATOM 0 HG2 MET A 66 0.494 -6.428 -12.131 1.00 73.41 H new ATOM 0 HG3 MET A 66 1.986 -7.056 -11.459 1.00 73.41 H new ATOM 0 HE1 MET A 66 0.682 -9.090 -8.331 1.00 50.22 H new ATOM 0 HE2 MET A 66 2.099 -8.441 -9.189 1.00 50.22 H new ATOM 0 HE3 MET A 66 1.037 -7.348 -8.270 1.00 50.22 H new ATOM 1060 N ALA A 67 2.624 -2.753 -9.395 1.00 52.32 N ATOM 1061 CA ALA A 67 2.643 -1.553 -8.581 1.00 55.24 C ATOM 1062 C ALA A 67 3.035 -0.333 -9.415 1.00 72.42 C ATOM 1063 O ALA A 67 2.530 0.766 -9.190 1.00 64.41 O ATOM 1064 CB ALA A 67 3.589 -1.722 -7.400 1.00 3.31 C ATOM 0 H ALA A 67 3.384 -3.406 -9.202 1.00 52.32 H new ATOM 0 HA ALA A 67 1.637 -1.389 -8.196 1.00 55.24 H new ATOM 0 HB1 ALA A 67 3.590 -0.811 -6.801 1.00 3.31 H new ATOM 0 HB2 ALA A 67 3.258 -2.560 -6.786 1.00 3.31 H new ATOM 0 HB3 ALA A 67 4.597 -1.916 -7.766 1.00 3.31 H new ATOM 1070 N LYS A 68 3.919 -0.542 -10.390 1.00 50.55 N ATOM 1071 CA LYS A 68 4.387 0.531 -11.274 1.00 35.12 C ATOM 1072 C LYS A 68 3.246 1.118 -12.100 1.00 61.32 C ATOM 1073 O LYS A 68 3.213 2.310 -12.359 1.00 15.31 O ATOM 1074 CB LYS A 68 5.497 0.030 -12.205 1.00 2.02 C ATOM 1075 CG LYS A 68 6.774 -0.365 -11.486 1.00 45.31 C ATOM 1076 CD LYS A 68 7.819 -0.891 -12.455 1.00 14.24 C ATOM 1077 CE LYS A 68 9.092 -1.289 -11.730 1.00 10.23 C ATOM 1078 NZ LYS A 68 10.094 -1.883 -12.651 1.00 34.31 N ATOM 0 H LYS A 68 4.330 -1.454 -10.591 1.00 50.55 H new ATOM 0 HA LYS A 68 4.788 1.319 -10.636 1.00 35.12 H new ATOM 0 HB2 LYS A 68 5.127 -0.829 -12.765 1.00 2.02 H new ATOM 0 HB3 LYS A 68 5.727 0.809 -12.931 1.00 2.02 H new ATOM 0 HG2 LYS A 68 7.173 0.497 -10.951 1.00 45.31 H new ATOM 0 HG3 LYS A 68 6.552 -1.128 -10.740 1.00 45.31 H new ATOM 0 HD2 LYS A 68 7.420 -1.751 -12.992 1.00 14.24 H new ATOM 0 HD3 LYS A 68 8.045 -0.127 -13.199 1.00 14.24 H new ATOM 0 HE2 LYS A 68 9.521 -0.413 -11.243 1.00 10.23 H new ATOM 0 HE3 LYS A 68 8.853 -2.005 -10.944 1.00 10.23 H new ATOM 0 HZ1 LYS A 68 10.948 -2.141 -12.116 1.00 34.31 H new ATOM 0 HZ2 LYS A 68 9.695 -2.734 -13.096 1.00 34.31 H new ATOM 0 HZ3 LYS A 68 10.342 -1.191 -13.387 1.00 34.31 H new ATOM 1092 N ALA A 69 2.313 0.280 -12.501 1.00 24.31 N ATOM 1093 CA ALA A 69 1.169 0.746 -13.279 1.00 11.11 C ATOM 1094 C ALA A 69 0.096 1.314 -12.359 1.00 35.34 C ATOM 1095 O ALA A 69 -0.808 2.029 -12.793 1.00 42.40 O ATOM 1096 CB ALA A 69 0.601 -0.388 -14.116 1.00 74.11 C ATOM 0 H ALA A 69 2.317 -0.721 -12.306 1.00 24.31 H new ATOM 0 HA ALA A 69 1.506 1.537 -13.949 1.00 11.11 H new ATOM 0 HB1 ALA A 69 -0.251 -0.025 -14.690 1.00 74.11 H new ATOM 0 HB2 ALA A 69 1.368 -0.756 -14.798 1.00 74.11 H new ATOM 0 HB3 ALA A 69 0.279 -1.198 -13.461 1.00 74.11 H new ATOM 1102 N ASP A 70 0.212 0.996 -11.086 1.00 72.45 N ATOM 1103 CA ASP A 70 -0.758 1.426 -10.091 1.00 32.22 C ATOM 1104 C ASP A 70 -0.331 2.730 -9.399 1.00 62.32 C ATOM 1105 O ASP A 70 -1.152 3.428 -8.837 1.00 55.01 O ATOM 1106 CB ASP A 70 -0.965 0.313 -9.058 1.00 25.23 C ATOM 1107 CG ASP A 70 -1.914 0.699 -7.945 1.00 44.10 C ATOM 1108 OD1 ASP A 70 -1.446 1.268 -6.936 1.00 63.40 O ATOM 1109 OD2 ASP A 70 -3.120 0.431 -8.070 1.00 32.24 O ATOM 0 H ASP A 70 0.976 0.435 -10.710 1.00 72.45 H new ATOM 0 HA ASP A 70 -1.699 1.627 -10.603 1.00 32.22 H new ATOM 0 HB2 ASP A 70 -1.349 -0.574 -9.562 1.00 25.23 H new ATOM 0 HB3 ASP A 70 -0.001 0.043 -8.627 1.00 25.23 H new ATOM 1114 N LYS A 71 0.957 3.065 -9.473 1.00 73.54 N ATOM 1115 CA LYS A 71 1.492 4.264 -8.793 1.00 62.31 C ATOM 1116 C LYS A 71 0.961 5.566 -9.401 1.00 15.41 C ATOM 1117 O LYS A 71 1.132 6.642 -8.827 1.00 4.13 O ATOM 1118 CB LYS A 71 3.027 4.256 -8.791 1.00 63.45 C ATOM 1119 CG LYS A 71 3.657 4.260 -10.167 1.00 3.24 C ATOM 1120 CD LYS A 71 5.175 4.214 -10.075 1.00 24.11 C ATOM 1121 CE LYS A 71 5.819 4.176 -11.453 1.00 32.53 C ATOM 1122 NZ LYS A 71 5.450 5.354 -12.272 1.00 12.03 N ATOM 0 H LYS A 71 1.654 2.531 -9.993 1.00 73.54 H new ATOM 0 HA LYS A 71 1.141 4.223 -7.762 1.00 62.31 H new ATOM 0 HB2 LYS A 71 3.381 5.128 -8.241 1.00 63.45 H new ATOM 0 HB3 LYS A 71 3.372 3.375 -8.250 1.00 63.45 H new ATOM 0 HG2 LYS A 71 3.298 3.403 -10.737 1.00 3.24 H new ATOM 0 HG3 LYS A 71 3.349 5.155 -10.709 1.00 3.24 H new ATOM 0 HD2 LYS A 71 5.534 5.087 -9.529 1.00 24.11 H new ATOM 0 HD3 LYS A 71 5.479 3.335 -9.506 1.00 24.11 H new ATOM 0 HE2 LYS A 71 6.903 4.135 -11.345 1.00 32.53 H new ATOM 0 HE3 LYS A 71 5.515 3.266 -11.970 1.00 32.53 H new ATOM 0 HZ1 LYS A 71 5.950 5.314 -13.183 1.00 12.03 H new ATOM 0 HZ2 LYS A 71 4.424 5.352 -12.440 1.00 12.03 H new ATOM 0 HZ3 LYS A 71 5.717 6.224 -11.769 1.00 12.03 H new ATOM 1136 N ALA A 72 0.306 5.435 -10.545 1.00 13.43 N ATOM 1137 CA ALA A 72 -0.258 6.578 -11.270 1.00 63.33 C ATOM 1138 C ALA A 72 -1.066 7.478 -10.323 1.00 11.20 C ATOM 1139 O ALA A 72 -0.788 8.676 -10.203 1.00 34.30 O ATOM 1140 CB ALA A 72 -1.124 6.093 -12.423 1.00 52.35 C ATOM 0 H ALA A 72 0.147 4.537 -11.002 1.00 13.43 H new ATOM 0 HA ALA A 72 0.562 7.169 -11.677 1.00 63.33 H new ATOM 0 HB1 ALA A 72 -1.537 6.951 -12.954 1.00 52.35 H new ATOM 0 HB2 ALA A 72 -0.519 5.500 -13.108 1.00 52.35 H new ATOM 0 HB3 ALA A 72 -1.938 5.481 -12.034 1.00 52.35 H new ATOM 1146 N ARG A 73 -2.087 6.880 -9.695 1.00 70.10 N ATOM 1147 CA ARG A 73 -2.922 7.543 -8.669 1.00 44.15 C ATOM 1148 C ARG A 73 -2.169 8.560 -7.789 1.00 2.33 C ATOM 1149 O ARG A 73 -2.568 9.717 -7.722 1.00 55.21 O ATOM 1150 CB ARG A 73 -3.593 6.495 -7.762 1.00 31.40 C ATOM 1151 CG ARG A 73 -2.651 5.395 -7.299 1.00 12.33 C ATOM 1152 CD ARG A 73 -3.116 4.727 -6.014 1.00 10.55 C ATOM 1153 NE ARG A 73 -4.514 4.308 -6.063 1.00 52.23 N ATOM 1154 CZ ARG A 73 -4.931 3.050 -5.897 1.00 61.51 C ATOM 1155 NH1 ARG A 73 -4.056 2.048 -5.857 1.00 24.10 N ATOM 1156 NH2 ARG A 73 -6.227 2.790 -5.815 1.00 51.02 N ATOM 0 H ARG A 73 -2.363 5.916 -9.882 1.00 70.10 H new ATOM 0 HA ARG A 73 -3.666 8.108 -9.231 1.00 44.15 H new ATOM 0 HB2 ARG A 73 -4.009 6.997 -6.888 1.00 31.40 H new ATOM 0 HB3 ARG A 73 -4.428 6.044 -8.298 1.00 31.40 H new ATOM 0 HG2 ARG A 73 -2.563 4.643 -8.083 1.00 12.33 H new ATOM 0 HG3 ARG A 73 -1.656 5.814 -7.147 1.00 12.33 H new ATOM 0 HD2 ARG A 73 -2.489 3.858 -5.815 1.00 10.55 H new ATOM 0 HD3 ARG A 73 -2.978 5.417 -5.182 1.00 10.55 H new ATOM 0 HE ARG A 73 -5.219 5.024 -6.236 1.00 52.23 H new ATOM 0 HH11 ARG A 73 -3.058 2.238 -5.953 1.00 24.10 H new ATOM 0 HH12 ARG A 73 -4.383 1.090 -5.730 1.00 24.10 H new ATOM 0 HH21 ARG A 73 -6.905 3.550 -5.879 1.00 51.02 H new ATOM 0 HH22 ARG A 73 -6.548 1.830 -5.688 1.00 51.02 H new ATOM 1170 N TYR A 74 -1.085 8.155 -7.130 1.00 72.13 N ATOM 1171 CA TYR A 74 -0.425 9.077 -6.214 1.00 24.41 C ATOM 1172 C TYR A 74 0.538 10.012 -6.937 1.00 55.31 C ATOM 1173 O TYR A 74 0.690 11.170 -6.542 1.00 44.41 O ATOM 1174 CB TYR A 74 0.273 8.343 -5.040 1.00 52.44 C ATOM 1175 CG TYR A 74 1.674 7.831 -5.323 1.00 42.01 C ATOM 1176 CD1 TYR A 74 2.782 8.668 -5.186 1.00 44.44 C ATOM 1177 CD2 TYR A 74 1.892 6.520 -5.706 1.00 15.11 C ATOM 1178 CE1 TYR A 74 4.057 8.208 -5.426 1.00 62.53 C ATOM 1179 CE2 TYR A 74 3.169 6.053 -5.949 1.00 71.14 C ATOM 1180 CZ TYR A 74 4.247 6.901 -5.809 1.00 12.42 C ATOM 1181 OH TYR A 74 5.520 6.437 -6.047 1.00 73.24 O ATOM 0 H TYR A 74 -0.660 7.231 -7.208 1.00 72.13 H new ATOM 0 HA TYR A 74 -1.213 9.694 -5.781 1.00 24.41 H new ATOM 0 HB2 TYR A 74 0.319 9.021 -4.188 1.00 52.44 H new ATOM 0 HB3 TYR A 74 -0.349 7.499 -4.742 1.00 52.44 H new ATOM 0 HD1 TYR A 74 2.637 9.695 -4.886 1.00 44.44 H new ATOM 0 HD2 TYR A 74 1.051 5.851 -5.817 1.00 15.11 H new ATOM 0 HE1 TYR A 74 4.903 8.870 -5.314 1.00 62.53 H new ATOM 0 HE2 TYR A 74 3.323 5.027 -6.248 1.00 71.14 H new ATOM 0 HH TYR A 74 5.481 5.493 -6.307 1.00 73.24 H new ATOM 1191 N GLU A 75 1.190 9.511 -7.993 1.00 72.24 N ATOM 1192 CA GLU A 75 2.132 10.325 -8.754 1.00 51.23 C ATOM 1193 C GLU A 75 1.490 11.619 -9.228 1.00 44.22 C ATOM 1194 O GLU A 75 2.017 12.707 -8.966 1.00 52.13 O ATOM 1195 CB GLU A 75 2.726 9.553 -9.934 1.00 4.41 C ATOM 1196 CG GLU A 75 3.630 8.403 -9.520 1.00 75.34 C ATOM 1197 CD GLU A 75 4.344 7.770 -10.693 1.00 13.10 C ATOM 1198 OE1 GLU A 75 3.675 7.396 -11.674 1.00 11.23 O ATOM 1199 OE2 GLU A 75 5.590 7.643 -10.645 1.00 42.22 O ATOM 0 H GLU A 75 1.081 8.556 -8.334 1.00 72.24 H new ATOM 0 HA GLU A 75 2.949 10.579 -8.079 1.00 51.23 H new ATOM 0 HB2 GLU A 75 1.914 9.162 -10.547 1.00 4.41 H new ATOM 0 HB3 GLU A 75 3.293 10.243 -10.559 1.00 4.41 H new ATOM 0 HG2 GLU A 75 4.367 8.766 -8.804 1.00 75.34 H new ATOM 0 HG3 GLU A 75 3.036 7.645 -9.010 1.00 75.34 H new ATOM 1206 N ARG A 76 0.354 11.517 -9.928 1.00 72.35 N ATOM 1207 CA ARG A 76 -0.358 12.701 -10.397 1.00 61.02 C ATOM 1208 C ARG A 76 -0.709 13.649 -9.242 1.00 73.41 C ATOM 1209 O ARG A 76 -0.452 14.847 -9.323 1.00 54.23 O ATOM 1210 CB ARG A 76 -1.626 12.306 -11.185 1.00 12.34 C ATOM 1211 CG ARG A 76 -2.644 11.495 -10.388 1.00 62.12 C ATOM 1212 CD ARG A 76 -3.888 11.188 -11.207 1.00 3.30 C ATOM 1213 NE ARG A 76 -3.605 10.307 -12.342 1.00 35.11 N ATOM 1214 CZ ARG A 76 -4.493 9.996 -13.290 1.00 62.34 C ATOM 1215 NH1 ARG A 76 -5.719 10.510 -13.246 1.00 22.30 N ATOM 1216 NH2 ARG A 76 -4.153 9.173 -14.278 1.00 45.33 N ATOM 0 H ARG A 76 -0.086 10.631 -10.178 1.00 72.35 H new ATOM 0 HA ARG A 76 0.312 13.237 -11.069 1.00 61.02 H new ATOM 0 HB2 ARG A 76 -2.109 13.213 -11.549 1.00 12.34 H new ATOM 0 HB3 ARG A 76 -1.328 11.730 -12.061 1.00 12.34 H new ATOM 0 HG2 ARG A 76 -2.187 10.562 -10.058 1.00 62.12 H new ATOM 0 HG3 ARG A 76 -2.926 12.047 -9.491 1.00 62.12 H new ATOM 0 HD2 ARG A 76 -4.636 10.721 -10.566 1.00 3.30 H new ATOM 0 HD3 ARG A 76 -4.318 12.120 -11.573 1.00 3.30 H new ATOM 0 HE ARG A 76 -2.670 9.905 -12.413 1.00 35.11 H new ATOM 0 HH11 ARG A 76 -5.980 11.141 -12.489 1.00 22.30 H new ATOM 0 HH12 ARG A 76 -6.398 10.273 -13.970 1.00 22.30 H new ATOM 0 HH21 ARG A 76 -3.213 8.778 -14.312 1.00 45.33 H new ATOM 0 HH22 ARG A 76 -4.832 8.936 -15.001 1.00 45.33 H new ATOM 1230 N GLU A 77 -1.302 13.104 -8.180 1.00 51.31 N ATOM 1231 CA GLU A 77 -1.679 13.896 -7.004 1.00 14.23 C ATOM 1232 C GLU A 77 -0.511 14.718 -6.466 1.00 44.13 C ATOM 1233 O GLU A 77 -0.693 15.859 -6.039 1.00 73.24 O ATOM 1234 CB GLU A 77 -2.236 13.001 -5.899 1.00 72.21 C ATOM 1235 CG GLU A 77 -3.520 12.291 -6.274 1.00 34.14 C ATOM 1236 CD GLU A 77 -4.584 13.244 -6.759 1.00 33.13 C ATOM 1237 OE1 GLU A 77 -5.148 13.990 -5.930 1.00 24.42 O ATOM 1238 OE2 GLU A 77 -4.861 13.260 -7.978 1.00 73.11 O ATOM 0 H GLU A 77 -1.533 12.113 -8.108 1.00 51.31 H new ATOM 0 HA GLU A 77 -2.455 14.589 -7.328 1.00 14.23 H new ATOM 0 HB2 GLU A 77 -1.485 12.257 -5.634 1.00 72.21 H new ATOM 0 HB3 GLU A 77 -2.413 13.606 -5.010 1.00 72.21 H new ATOM 0 HG2 GLU A 77 -3.312 11.557 -7.052 1.00 34.14 H new ATOM 0 HG3 GLU A 77 -3.894 11.742 -5.410 1.00 34.14 H new ATOM 1245 N MET A 78 0.678 14.152 -6.505 1.00 52.41 N ATOM 1246 CA MET A 78 1.853 14.837 -6.004 1.00 42.44 C ATOM 1247 C MET A 78 2.332 15.916 -6.976 1.00 45.13 C ATOM 1248 O MET A 78 2.466 17.077 -6.601 1.00 30.32 O ATOM 1249 CB MET A 78 2.983 13.842 -5.712 1.00 63.42 C ATOM 1250 CG MET A 78 4.282 14.504 -5.279 1.00 13.24 C ATOM 1251 SD MET A 78 4.075 15.566 -3.835 1.00 14.55 S ATOM 1252 CE MET A 78 5.691 16.333 -3.761 1.00 45.50 C ATOM 0 H MET A 78 0.857 13.220 -6.878 1.00 52.41 H new ATOM 0 HA MET A 78 1.571 15.327 -5.072 1.00 42.44 H new ATOM 0 HB2 MET A 78 2.658 13.155 -4.931 1.00 63.42 H new ATOM 0 HB3 MET A 78 3.169 13.245 -6.605 1.00 63.42 H new ATOM 0 HG2 MET A 78 5.021 13.734 -5.056 1.00 13.24 H new ATOM 0 HG3 MET A 78 4.677 15.095 -6.106 1.00 13.24 H new ATOM 0 HE1 MET A 78 5.685 17.123 -3.010 1.00 45.50 H new ATOM 0 HE2 MET A 78 6.437 15.585 -3.494 1.00 45.50 H new ATOM 0 HE3 MET A 78 5.936 16.759 -4.734 1.00 45.50 H new ATOM 1262 N LYS A 79 2.578 15.529 -8.226 1.00 34.42 N ATOM 1263 CA LYS A 79 3.094 16.465 -9.239 1.00 21.12 C ATOM 1264 C LYS A 79 2.139 17.643 -9.503 1.00 21.41 C ATOM 1265 O LYS A 79 2.568 18.711 -9.946 1.00 20.11 O ATOM 1266 CB LYS A 79 3.458 15.722 -10.552 1.00 13.31 C ATOM 1267 CG LYS A 79 2.289 15.052 -11.281 1.00 32.53 C ATOM 1268 CD LYS A 79 1.511 16.043 -12.139 1.00 3.44 C ATOM 1269 CE LYS A 79 0.383 15.366 -12.903 1.00 72.32 C ATOM 1270 NZ LYS A 79 -0.399 16.337 -13.703 1.00 32.25 N ATOM 0 H LYS A 79 2.431 14.579 -8.567 1.00 34.42 H new ATOM 0 HA LYS A 79 4.007 16.898 -8.830 1.00 21.12 H new ATOM 0 HB2 LYS A 79 3.927 16.433 -11.232 1.00 13.31 H new ATOM 0 HB3 LYS A 79 4.204 14.961 -10.323 1.00 13.31 H new ATOM 0 HG2 LYS A 79 2.667 14.246 -11.910 1.00 32.53 H new ATOM 0 HG3 LYS A 79 1.618 14.599 -10.551 1.00 32.53 H new ATOM 0 HD2 LYS A 79 1.100 16.828 -11.505 1.00 3.44 H new ATOM 0 HD3 LYS A 79 2.189 16.524 -12.843 1.00 3.44 H new ATOM 0 HE2 LYS A 79 0.797 14.602 -13.561 1.00 72.32 H new ATOM 0 HE3 LYS A 79 -0.278 14.858 -12.201 1.00 72.32 H new ATOM 0 HZ1 LYS A 79 -0.996 15.825 -14.384 1.00 32.25 H new ATOM 0 HZ2 LYS A 79 -1.001 16.902 -13.071 1.00 32.25 H new ATOM 0 HZ3 LYS A 79 0.250 16.966 -14.217 1.00 32.25 H new ATOM 1284 N THR A 80 0.857 17.447 -9.235 1.00 35.31 N ATOM 1285 CA THR A 80 -0.132 18.493 -9.453 1.00 35.02 C ATOM 1286 C THR A 80 -0.204 19.440 -8.248 1.00 61.21 C ATOM 1287 O THR A 80 -0.568 20.616 -8.383 1.00 55.40 O ATOM 1288 CB THR A 80 -1.528 17.885 -9.721 1.00 23.55 C ATOM 1289 OG1 THR A 80 -1.422 16.879 -10.733 1.00 12.42 O ATOM 1290 CG2 THR A 80 -2.513 18.951 -10.180 1.00 42.42 C ATOM 0 H THR A 80 0.477 16.575 -8.867 1.00 35.31 H new ATOM 0 HA THR A 80 0.179 19.062 -10.329 1.00 35.02 H new ATOM 0 HB THR A 80 -1.895 17.450 -8.791 1.00 23.55 H new ATOM 0 HG1 THR A 80 -0.949 16.100 -10.372 1.00 12.42 H new ATOM 0 HG21 THR A 80 -3.486 18.494 -10.361 1.00 42.42 H new ATOM 0 HG22 THR A 80 -2.609 19.715 -9.408 1.00 42.42 H new ATOM 0 HG23 THR A 80 -2.151 19.409 -11.100 1.00 42.42 H new ATOM 1298 N TYR A 81 0.157 18.935 -7.084 1.00 61.02 N ATOM 1299 CA TYR A 81 0.111 19.718 -5.864 1.00 21.12 C ATOM 1300 C TYR A 81 1.354 20.592 -5.729 1.00 44.21 C ATOM 1301 O TYR A 81 2.437 20.220 -6.172 1.00 21.21 O ATOM 1302 CB TYR A 81 -0.027 18.795 -4.645 1.00 21.33 C ATOM 1303 CG TYR A 81 -0.009 19.525 -3.322 1.00 25.14 C ATOM 1304 CD1 TYR A 81 -1.068 20.336 -2.944 1.00 41.21 C ATOM 1305 CD2 TYR A 81 1.074 19.413 -2.458 1.00 2.31 C ATOM 1306 CE1 TYR A 81 -1.053 21.014 -1.744 1.00 74.12 C ATOM 1307 CE2 TYR A 81 1.097 20.090 -1.256 1.00 61.14 C ATOM 1308 CZ TYR A 81 0.031 20.887 -0.905 1.00 10.02 C ATOM 1309 OH TYR A 81 0.050 21.566 0.289 1.00 53.31 O ATOM 0 H TYR A 81 0.488 17.978 -6.957 1.00 61.02 H new ATOM 0 HA TYR A 81 -0.760 20.372 -5.912 1.00 21.12 H new ATOM 0 HB2 TYR A 81 -0.959 18.236 -4.728 1.00 21.33 H new ATOM 0 HB3 TYR A 81 0.784 18.067 -4.659 1.00 21.33 H new ATOM 0 HD1 TYR A 81 -1.919 20.438 -3.601 1.00 41.21 H new ATOM 0 HD2 TYR A 81 1.910 18.787 -2.732 1.00 2.31 H new ATOM 0 HE1 TYR A 81 -1.887 21.641 -1.464 1.00 74.12 H new ATOM 0 HE2 TYR A 81 1.946 19.995 -0.595 1.00 61.14 H new ATOM 0 HH TYR A 81 0.884 21.369 0.764 1.00 53.31 H new ATOM 1319 N ILE A 82 1.187 21.758 -5.127 1.00 30.53 N ATOM 1320 CA ILE A 82 2.297 22.663 -4.898 1.00 42.31 C ATOM 1321 C ILE A 82 2.731 22.591 -3.434 1.00 34.03 C ATOM 1322 O ILE A 82 2.043 23.111 -2.546 1.00 34.40 O ATOM 1323 CB ILE A 82 1.931 24.126 -5.252 1.00 62.42 C ATOM 1324 CG1 ILE A 82 1.467 24.232 -6.716 1.00 72.34 C ATOM 1325 CG2 ILE A 82 3.114 25.055 -4.995 1.00 23.15 C ATOM 1326 CD1 ILE A 82 2.504 23.784 -7.731 1.00 14.10 C ATOM 0 H ILE A 82 0.288 22.100 -4.787 1.00 30.53 H new ATOM 0 HA ILE A 82 3.114 22.352 -5.549 1.00 42.31 H new ATOM 0 HB ILE A 82 1.107 24.436 -4.609 1.00 62.42 H new ATOM 0 HG12 ILE A 82 0.566 23.632 -6.844 1.00 72.34 H new ATOM 0 HG13 ILE A 82 1.193 25.266 -6.925 1.00 72.34 H new ATOM 0 HG21 ILE A 82 2.836 26.078 -5.250 1.00 23.15 H new ATOM 0 HG22 ILE A 82 3.393 25.007 -3.942 1.00 23.15 H new ATOM 0 HG23 ILE A 82 3.960 24.745 -5.609 1.00 23.15 H new ATOM 0 HD11 ILE A 82 2.098 23.890 -8.737 1.00 14.10 H new ATOM 0 HD12 ILE A 82 3.398 24.400 -7.634 1.00 14.10 H new ATOM 0 HD13 ILE A 82 2.761 22.740 -7.552 1.00 14.10 H new ATOM 1338 N PRO A 83 3.855 21.919 -3.162 1.00 51.33 N ATOM 1339 CA PRO A 83 4.375 21.766 -1.811 1.00 72.42 C ATOM 1340 C PRO A 83 5.204 22.981 -1.376 1.00 53.14 C ATOM 1341 O PRO A 83 5.492 23.868 -2.192 1.00 1.31 O ATOM 1342 CB PRO A 83 5.257 20.522 -1.936 1.00 13.24 C ATOM 1343 CG PRO A 83 5.775 20.568 -3.330 1.00 11.31 C ATOM 1344 CD PRO A 83 4.716 21.253 -4.160 1.00 63.22 C ATOM 0 HA PRO A 83 3.590 21.679 -1.060 1.00 72.42 H new ATOM 0 HB2 PRO A 83 6.070 20.538 -1.210 1.00 13.24 H new ATOM 0 HB3 PRO A 83 4.686 19.611 -1.755 1.00 13.24 H new ATOM 0 HG2 PRO A 83 6.717 21.114 -3.376 1.00 11.31 H new ATOM 0 HG3 PRO A 83 5.971 19.563 -3.704 1.00 11.31 H new ATOM 0 HD2 PRO A 83 5.154 21.972 -4.852 1.00 63.22 H new ATOM 0 HD3 PRO A 83 4.153 20.537 -4.759 1.00 63.22 H new ATOM 1352 N PRO A 84 5.578 23.054 -0.078 1.00 52.00 N ATOM 1353 CA PRO A 84 6.403 24.147 0.449 1.00 53.12 C ATOM 1354 C PRO A 84 7.721 24.271 -0.307 1.00 71.15 C ATOM 1355 O PRO A 84 8.313 23.259 -0.697 1.00 13.45 O ATOM 1356 CB PRO A 84 6.663 23.735 1.902 1.00 14.44 C ATOM 1357 CG PRO A 84 5.544 22.817 2.241 1.00 20.22 C ATOM 1358 CD PRO A 84 5.215 22.086 0.976 1.00 73.44 C ATOM 0 HA PRO A 84 5.913 25.116 0.352 1.00 53.12 H new ATOM 0 HB2 PRO A 84 7.628 23.238 2.006 1.00 14.44 H new ATOM 0 HB3 PRO A 84 6.678 24.602 2.563 1.00 14.44 H new ATOM 0 HG2 PRO A 84 5.834 22.122 3.029 1.00 20.22 H new ATOM 0 HG3 PRO A 84 4.680 23.372 2.607 1.00 20.22 H new ATOM 0 HD2 PRO A 84 5.784 21.161 0.886 1.00 73.44 H new ATOM 0 HD3 PRO A 84 4.160 21.817 0.929 1.00 73.44 H new ATOM 1366 N LYS A 85 8.168 25.520 -0.499 1.00 32.11 N ATOM 1367 CA LYS A 85 9.397 25.851 -1.241 1.00 35.53 C ATOM 1368 C LYS A 85 9.547 25.028 -2.525 1.00 2.34 C ATOM 1369 O LYS A 85 10.377 24.123 -2.618 1.00 14.24 O ATOM 1370 CB LYS A 85 10.670 25.784 -0.355 1.00 31.11 C ATOM 1371 CG LYS A 85 10.931 24.442 0.323 1.00 2.24 C ATOM 1372 CD LYS A 85 12.207 24.475 1.152 1.00 35.41 C ATOM 1373 CE LYS A 85 13.433 24.717 0.283 1.00 30.35 C ATOM 1374 NZ LYS A 85 14.680 24.753 1.083 1.00 30.44 N ATOM 0 H LYS A 85 7.681 26.341 -0.139 1.00 32.11 H new ATOM 0 HA LYS A 85 9.289 26.892 -1.547 1.00 35.53 H new ATOM 0 HB2 LYS A 85 11.534 26.033 -0.971 1.00 31.11 H new ATOM 0 HB3 LYS A 85 10.596 26.552 0.415 1.00 31.11 H new ATOM 0 HG2 LYS A 85 10.087 24.186 0.963 1.00 2.24 H new ATOM 0 HG3 LYS A 85 11.007 23.660 -0.433 1.00 2.24 H new ATOM 0 HD2 LYS A 85 12.133 25.260 1.904 1.00 35.41 H new ATOM 0 HD3 LYS A 85 12.319 23.531 1.686 1.00 35.41 H new ATOM 0 HE2 LYS A 85 13.506 23.931 -0.468 1.00 30.35 H new ATOM 0 HE3 LYS A 85 13.318 25.659 -0.252 1.00 30.35 H new ATOM 0 HZ1 LYS A 85 15.491 24.920 0.454 1.00 30.44 H new ATOM 0 HZ2 LYS A 85 14.621 25.520 1.783 1.00 30.44 H new ATOM 0 HZ3 LYS A 85 14.804 23.845 1.574 1.00 30.44 H new ATOM 1388 N GLY A 86 8.721 25.346 -3.500 1.00 41.33 N ATOM 1389 CA GLY A 86 8.750 24.654 -4.761 1.00 73.42 C ATOM 1390 C GLY A 86 7.912 25.357 -5.799 1.00 4.20 C ATOM 1391 O GLY A 86 6.790 25.788 -5.513 1.00 14.30 O ATOM 0 H GLY A 86 8.020 26.084 -3.438 1.00 41.33 H new ATOM 0 HA2 GLY A 86 9.779 24.580 -5.113 1.00 73.42 H new ATOM 0 HA3 GLY A 86 8.385 23.636 -4.626 1.00 73.42 H new ATOM 1395 N GLU A 87 8.450 25.492 -6.990 1.00 23.25 N ATOM 1396 CA GLU A 87 7.746 26.142 -8.074 1.00 43.10 C ATOM 1397 C GLU A 87 7.138 25.110 -9.014 1.00 73.24 C ATOM 1398 O GLU A 87 7.861 24.591 -9.887 1.00 0.00 O ATOM 1399 CB GLU A 87 8.667 27.118 -8.843 1.00 54.45 C ATOM 1400 CG GLU A 87 10.152 27.051 -8.463 1.00 70.51 C ATOM 1401 CD GLU A 87 10.838 25.781 -8.925 1.00 12.01 C ATOM 1402 OE1 GLU A 87 11.369 25.763 -10.057 1.00 14.15 O ATOM 1403 OE2 GLU A 87 10.861 24.793 -8.155 1.00 5.24 O ATOM 1404 OXT GLU A 87 5.936 24.811 -8.868 1.00 0.00 O ATOM 0 H GLU A 87 9.382 25.157 -7.235 1.00 23.25 H new ATOM 0 HA GLU A 87 6.937 26.730 -7.641 1.00 43.10 H new ATOM 0 HB2 GLU A 87 8.572 26.917 -9.910 1.00 54.45 H new ATOM 0 HB3 GLU A 87 8.311 28.135 -8.677 1.00 54.45 H new ATOM 0 HG2 GLU A 87 10.668 27.910 -8.892 1.00 70.51 H new ATOM 0 HG3 GLU A 87 10.246 27.132 -7.380 1.00 70.51 H new TER 1411 GLU A 87