USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 641 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 39 LYS NZ :NH3+ -122:sc= 0.116 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot 36:sc= 0.314 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0258) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00601) USER MOD Single : A 15 LYS NZ :NH3+ 139:sc= -1.82 (180deg=-4.11!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 27 TYR OH : rot 43:sc=-0.00233 USER MOD Single : A 28 SER OG : rot 29:sc= 0.397 USER MOD Single : A 29 THR OG1 : rot 155:sc= -4.39! USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 0.5 (180deg=0.174) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -33:sc= 0.351 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 36 THR OG1 : rot -129:sc= 0.258 USER MOD Single : A 37 SER OG : rot 180:sc= -0.975 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.155 (180deg=-0.951) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00711 X(o=-0.0071,f=0) USER MOD Single : A 58 THR OG1 : rot 51:sc= 0.156 USER MOD Single : A 59 THR OG1 : rot -152:sc= -0.603! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 179:sc= -5.39! USER MOD Single : A 68 ASN : amide:sc= -3.27! C(o=-3.3!,f=-7.9!) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.155 (180deg=-0.665) USER MOD Single : A 73 TYR OH : rot 75:sc= -5.85! USER MOD Single : A 75 TYR OH : rot 88:sc= 1.21 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 2.312 -4.382 14.669 1.00 0.00 N ATOM 2 CA GLU A 7 3.735 -4.248 14.408 1.00 0.00 C ATOM 3 C GLU A 7 4.342 -5.611 14.065 1.00 0.00 C ATOM 4 O GLU A 7 5.122 -5.727 13.121 1.00 0.00 O ATOM 5 CB GLU A 7 4.454 -3.612 15.599 1.00 0.00 C ATOM 6 CG GLU A 7 4.360 -4.507 16.837 1.00 0.00 C ATOM 7 CD GLU A 7 4.669 -3.715 18.110 1.00 0.00 C ATOM 8 OE1 GLU A 7 5.793 -3.173 18.182 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.774 -3.670 18.981 1.00 0.00 O ATOM 0 HA GLU A 7 3.867 -3.587 13.551 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.501 -3.441 15.348 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.015 -2.638 15.816 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.360 -4.936 16.905 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.058 -5.339 16.743 1.00 0.00 H new ATOM 16 N LYS A 8 3.961 -6.607 14.850 1.00 0.00 N ATOM 17 CA LYS A 8 4.457 -7.957 14.641 1.00 0.00 C ATOM 18 C LYS A 8 3.996 -8.459 13.272 1.00 0.00 C ATOM 19 O LYS A 8 4.479 -9.481 12.787 1.00 0.00 O ATOM 20 CB LYS A 8 4.044 -8.865 15.801 1.00 0.00 C ATOM 21 CG LYS A 8 4.636 -10.267 15.637 1.00 0.00 C ATOM 22 CD LYS A 8 3.548 -11.283 15.283 1.00 0.00 C ATOM 23 CE LYS A 8 4.084 -12.713 15.372 1.00 0.00 C ATOM 24 NZ LYS A 8 5.096 -12.954 14.318 1.00 0.00 N ATOM 0 H LYS A 8 3.314 -6.507 15.632 1.00 0.00 H new ATOM 0 HA LYS A 8 5.547 -7.966 14.633 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.380 -8.432 16.744 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.957 -8.929 15.849 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.396 -10.256 14.856 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.132 -10.567 16.560 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.701 -11.165 15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.180 -11.091 14.275 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.526 -12.882 16.354 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.263 -13.423 15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.400 -13.948 14.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.683 -12.747 13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.917 -12.336 14.477 1.00 0.00 H new ATOM 38 N GLU A 9 3.066 -7.718 12.688 1.00 0.00 N ATOM 39 CA GLU A 9 2.534 -8.075 11.384 1.00 0.00 C ATOM 40 C GLU A 9 3.649 -8.070 10.336 1.00 0.00 C ATOM 41 O GLU A 9 3.563 -8.774 9.330 1.00 0.00 O ATOM 42 CB GLU A 9 1.397 -7.135 10.979 1.00 0.00 C ATOM 43 CG GLU A 9 0.034 -7.757 11.288 1.00 0.00 C ATOM 44 CD GLU A 9 -0.706 -8.123 9.999 1.00 0.00 C ATOM 45 OE1 GLU A 9 -0.008 -8.470 9.022 1.00 0.00 O ATOM 46 OE2 GLU A 9 -1.954 -8.047 10.021 1.00 0.00 O ATOM 0 H GLU A 9 2.667 -6.872 13.094 1.00 0.00 H new ATOM 0 HA GLU A 9 2.124 -9.083 11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.497 -6.188 11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.466 -6.913 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.167 -8.649 11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.566 -7.057 11.870 1.00 0.00 H new ATOM 53 N GLU A 10 4.669 -7.270 10.607 1.00 0.00 N ATOM 54 CA GLU A 10 5.799 -7.164 9.700 1.00 0.00 C ATOM 55 C GLU A 10 6.500 -8.518 9.565 1.00 0.00 C ATOM 56 O GLU A 10 6.894 -8.910 8.468 1.00 0.00 O ATOM 57 CB GLU A 10 6.778 -6.084 10.167 1.00 0.00 C ATOM 58 CG GLU A 10 8.173 -6.320 9.585 1.00 0.00 C ATOM 59 CD GLU A 10 9.040 -7.131 10.550 1.00 0.00 C ATOM 60 OE1 GLU A 10 9.328 -6.593 11.642 1.00 0.00 O ATOM 61 OE2 GLU A 10 9.395 -8.269 10.176 1.00 0.00 O ATOM 0 H GLU A 10 4.737 -6.689 11.442 1.00 0.00 H new ATOM 0 HA GLU A 10 5.426 -6.870 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.414 -5.102 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.830 -6.081 11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.090 -6.847 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.651 -5.363 9.378 1.00 0.00 H new ATOM 68 N LYS A 11 6.633 -9.194 10.697 1.00 0.00 N ATOM 69 CA LYS A 11 7.280 -10.495 10.719 1.00 0.00 C ATOM 70 C LYS A 11 6.373 -11.522 10.037 1.00 0.00 C ATOM 71 O LYS A 11 6.857 -12.460 9.406 1.00 0.00 O ATOM 72 CB LYS A 11 7.671 -10.875 12.149 1.00 0.00 C ATOM 73 CG LYS A 11 8.852 -10.032 12.636 1.00 0.00 C ATOM 74 CD LYS A 11 8.368 -8.731 13.281 1.00 0.00 C ATOM 75 CE LYS A 11 9.522 -7.998 13.968 1.00 0.00 C ATOM 76 NZ LYS A 11 9.821 -8.617 15.279 1.00 0.00 N ATOM 0 H LYS A 11 6.304 -8.865 11.605 1.00 0.00 H new ATOM 0 HA LYS A 11 8.212 -10.466 10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.819 -10.732 12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.933 -11.932 12.190 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.438 -10.603 13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.511 -9.804 11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.924 -8.087 12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.587 -8.950 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.408 -8.028 13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.264 -6.948 14.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.572 -8.077 15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.964 -8.612 15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.137 -9.597 15.136 1.00 0.00 H new ATOM 90 N ASP A 12 5.074 -11.308 10.186 1.00 0.00 N ATOM 91 CA ASP A 12 4.095 -12.203 9.592 1.00 0.00 C ATOM 92 C ASP A 12 3.995 -11.919 8.092 1.00 0.00 C ATOM 93 O ASP A 12 3.732 -12.824 7.302 1.00 0.00 O ATOM 94 CB ASP A 12 2.711 -11.991 10.207 1.00 0.00 C ATOM 95 CG ASP A 12 1.633 -12.963 9.724 1.00 0.00 C ATOM 96 OD1 ASP A 12 1.704 -14.141 10.136 1.00 0.00 O ATOM 97 OD2 ASP A 12 0.761 -12.506 8.952 1.00 0.00 O ATOM 0 H ASP A 12 4.677 -10.528 10.709 1.00 0.00 H new ATOM 0 HA ASP A 12 4.418 -13.227 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.795 -12.074 11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.385 -10.974 9.990 1.00 0.00 H new ATOM 102 N PHE A 13 4.210 -10.658 7.746 1.00 0.00 N ATOM 103 CA PHE A 13 4.147 -10.244 6.355 1.00 0.00 C ATOM 104 C PHE A 13 5.207 -10.964 5.519 1.00 0.00 C ATOM 105 O PHE A 13 4.892 -11.565 4.494 1.00 0.00 O ATOM 106 CB PHE A 13 4.424 -8.740 6.323 1.00 0.00 C ATOM 107 CG PHE A 13 4.819 -8.208 4.944 1.00 0.00 C ATOM 108 CD1 PHE A 13 3.858 -7.813 4.066 1.00 0.00 C ATOM 109 CD2 PHE A 13 6.132 -8.132 4.595 1.00 0.00 C ATOM 110 CE1 PHE A 13 4.225 -7.320 2.786 1.00 0.00 C ATOM 111 CE2 PHE A 13 6.499 -7.639 3.315 1.00 0.00 C ATOM 112 CZ PHE A 13 5.538 -7.244 2.437 1.00 0.00 C ATOM 0 H PHE A 13 4.428 -9.910 8.405 1.00 0.00 H new ATOM 0 HA PHE A 13 3.169 -10.487 5.939 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.535 -8.210 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.221 -8.513 7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.816 -7.874 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.895 -8.447 5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.462 -7.005 2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.541 -7.578 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.817 -6.870 1.463 1.00 0.00 H new ATOM 122 N ARG A 14 6.443 -10.878 5.989 1.00 0.00 N ATOM 123 CA ARG A 14 7.552 -11.514 5.299 1.00 0.00 C ATOM 124 C ARG A 14 7.318 -13.022 5.193 1.00 0.00 C ATOM 125 O ARG A 14 7.761 -13.657 4.238 1.00 0.00 O ATOM 126 CB ARG A 14 8.873 -11.260 6.028 1.00 0.00 C ATOM 127 CG ARG A 14 9.039 -12.215 7.212 1.00 0.00 C ATOM 128 CD ARG A 14 9.853 -11.564 8.331 1.00 0.00 C ATOM 129 NE ARG A 14 11.268 -11.987 8.240 1.00 0.00 N ATOM 130 CZ ARG A 14 12.181 -11.791 9.215 1.00 0.00 C ATOM 131 NH1 ARG A 14 11.834 -11.175 10.365 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.419 -12.211 9.027 1.00 0.00 N ATOM 0 H ARG A 14 6.701 -10.377 6.839 1.00 0.00 H new ATOM 0 HA ARG A 14 7.612 -11.082 4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.705 -11.386 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.905 -10.229 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.059 -12.504 7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.534 -13.128 6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.784 -10.479 8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.443 -11.845 9.301 1.00 0.00 H new ATOM 0 HE ARG A 14 11.573 -12.456 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.876 -10.854 10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.530 -11.031 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.673 -12.676 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.121 -12.071 9.754 1.00 0.00 H new ATOM 146 N LYS A 15 6.621 -13.551 6.189 1.00 0.00 N ATOM 147 CA LYS A 15 6.323 -14.973 6.220 1.00 0.00 C ATOM 148 C LYS A 15 5.643 -15.376 4.910 1.00 0.00 C ATOM 149 O LYS A 15 6.137 -16.244 4.191 1.00 0.00 O ATOM 150 CB LYS A 15 5.509 -15.322 7.467 1.00 0.00 C ATOM 151 CG LYS A 15 4.454 -16.385 7.154 1.00 0.00 C ATOM 152 CD LYS A 15 3.049 -15.780 7.155 1.00 0.00 C ATOM 153 CE LYS A 15 1.981 -16.873 7.070 1.00 0.00 C ATOM 154 NZ LYS A 15 1.968 -17.482 5.722 1.00 0.00 N ATOM 0 H LYS A 15 6.255 -13.021 6.980 1.00 0.00 H new ATOM 0 HA LYS A 15 7.243 -15.553 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.175 -15.685 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.024 -14.425 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.661 -16.832 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.510 -17.186 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.903 -15.193 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.943 -15.097 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.177 -17.640 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.001 -16.451 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.847 -18.511 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.181 -17.086 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.867 -17.278 5.240 1.00 0.00 H new ATOM 168 N LYS A 16 4.521 -14.726 4.638 1.00 0.00 N ATOM 169 CA LYS A 16 3.769 -15.006 3.427 1.00 0.00 C ATOM 170 C LYS A 16 4.353 -14.194 2.269 1.00 0.00 C ATOM 171 O LYS A 16 4.359 -14.650 1.127 1.00 0.00 O ATOM 172 CB LYS A 16 2.275 -14.763 3.656 1.00 0.00 C ATOM 173 CG LYS A 16 1.437 -15.438 2.567 1.00 0.00 C ATOM 174 CD LYS A 16 1.708 -16.943 2.520 1.00 0.00 C ATOM 175 CE LYS A 16 2.547 -17.311 1.295 1.00 0.00 C ATOM 176 NZ LYS A 16 1.857 -18.341 0.486 1.00 0.00 N ATOM 0 H LYS A 16 4.115 -14.006 5.236 1.00 0.00 H new ATOM 0 HA LYS A 16 3.860 -16.058 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.986 -15.148 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.074 -13.692 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.378 -15.261 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.666 -14.993 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.228 -17.251 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.763 -17.486 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.725 -16.423 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.522 -17.682 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.439 -18.580 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.709 -19.194 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.937 -17.974 0.168 1.00 0.00 H new ATOM 190 N PHE A 17 4.832 -13.005 2.605 1.00 0.00 N ATOM 191 CA PHE A 17 5.417 -12.125 1.608 1.00 0.00 C ATOM 192 C PHE A 17 6.910 -12.413 1.431 1.00 0.00 C ATOM 193 O PHE A 17 7.677 -11.527 1.057 1.00 0.00 O ATOM 194 CB PHE A 17 5.244 -10.693 2.118 1.00 0.00 C ATOM 195 CG PHE A 17 3.813 -10.161 2.005 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.815 -10.737 2.728 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.540 -9.113 1.182 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.488 -10.243 2.623 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.213 -8.620 1.078 1.00 0.00 C ATOM 200 CZ PHE A 17 1.215 -9.196 1.800 1.00 0.00 C ATOM 0 H PHE A 17 4.827 -12.631 3.554 1.00 0.00 H new ATOM 0 HA PHE A 17 4.928 -12.276 0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.556 -10.650 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.910 -10.036 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.032 -11.569 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.333 -8.656 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.695 -10.699 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.996 -7.787 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.205 -8.822 1.720 1.00 0.00 H new ATOM 210 N LYS A 18 7.276 -13.656 1.709 1.00 0.00 N ATOM 211 CA LYS A 18 8.663 -14.072 1.585 1.00 0.00 C ATOM 212 C LYS A 18 9.303 -13.352 0.396 1.00 0.00 C ATOM 213 O LYS A 18 10.432 -13.657 0.016 1.00 0.00 O ATOM 214 CB LYS A 18 8.760 -15.597 1.505 1.00 0.00 C ATOM 215 CG LYS A 18 9.512 -16.163 2.712 1.00 0.00 C ATOM 216 CD LYS A 18 10.965 -16.478 2.353 1.00 0.00 C ATOM 217 CE LYS A 18 11.114 -17.931 1.897 1.00 0.00 C ATOM 218 NZ LYS A 18 11.844 -18.722 2.913 1.00 0.00 N ATOM 0 H LYS A 18 6.637 -14.388 2.019 1.00 0.00 H new ATOM 0 HA LYS A 18 9.227 -13.786 2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.759 -16.027 1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.271 -15.885 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.483 -15.446 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.016 -17.068 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.301 -15.808 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.604 -16.297 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.130 -18.367 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.648 -17.967 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.936 -19.705 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.790 -18.315 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.319 -18.703 3.811 1.00 0.00 H new ATOM 232 N TYR A 19 8.553 -12.410 -0.158 1.00 0.00 N ATOM 233 CA TYR A 19 9.033 -11.645 -1.295 1.00 0.00 C ATOM 234 C TYR A 19 10.252 -10.802 -0.914 1.00 0.00 C ATOM 235 O TYR A 19 10.177 -9.966 -0.015 1.00 0.00 O ATOM 236 CB TYR A 19 7.887 -10.712 -1.690 1.00 0.00 C ATOM 237 CG TYR A 19 8.342 -9.328 -2.157 1.00 0.00 C ATOM 238 CD1 TYR A 19 9.195 -9.210 -3.236 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.901 -8.198 -1.500 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.624 -7.908 -3.676 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.330 -6.896 -1.939 1.00 0.00 C ATOM 242 CZ TYR A 19 9.171 -6.815 -3.006 1.00 0.00 C ATOM 243 OH TYR A 19 9.576 -5.585 -3.421 1.00 0.00 O ATOM 0 H TYR A 19 7.617 -12.160 0.160 1.00 0.00 H new ATOM 0 HA TYR A 19 9.330 -12.310 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.309 -11.181 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.218 -10.594 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.541 -10.095 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.234 -8.290 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.291 -7.802 -4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.992 -6.004 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 19 9.173 -4.898 -2.850 1.00 0.00 H new ATOM 253 N ASP A 20 11.347 -11.051 -1.618 1.00 0.00 N ATOM 254 CA ASP A 20 12.580 -10.326 -1.364 1.00 0.00 C ATOM 255 C ASP A 20 12.741 -9.221 -2.411 1.00 0.00 C ATOM 256 O ASP A 20 13.201 -9.477 -3.523 1.00 0.00 O ATOM 257 CB ASP A 20 13.794 -11.251 -1.464 1.00 0.00 C ATOM 258 CG ASP A 20 15.144 -10.539 -1.565 1.00 0.00 C ATOM 259 OD1 ASP A 20 15.432 -10.022 -2.666 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.858 -10.527 -0.539 1.00 0.00 O ATOM 0 H ASP A 20 11.406 -11.744 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 20 12.525 -9.910 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.808 -11.902 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.672 -11.892 -2.337 1.00 0.00 H new ATOM 265 N GLY A 21 12.353 -8.017 -2.018 1.00 0.00 N ATOM 266 CA GLY A 21 12.449 -6.872 -2.908 1.00 0.00 C ATOM 267 C GLY A 21 12.723 -5.588 -2.123 1.00 0.00 C ATOM 268 O GLY A 21 13.009 -5.636 -0.927 1.00 0.00 O ATOM 0 H GLY A 21 11.971 -7.809 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.246 -7.036 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.522 -6.767 -3.472 1.00 0.00 H new ATOM 272 N GLU A 22 12.627 -4.470 -2.827 1.00 0.00 N ATOM 273 CA GLU A 22 12.862 -3.175 -2.211 1.00 0.00 C ATOM 274 C GLU A 22 11.532 -2.502 -1.868 1.00 0.00 C ATOM 275 O GLU A 22 10.952 -1.805 -2.700 1.00 0.00 O ATOM 276 CB GLU A 22 13.711 -2.282 -3.118 1.00 0.00 C ATOM 277 CG GLU A 22 14.029 -0.951 -2.434 1.00 0.00 C ATOM 278 CD GLU A 22 14.406 0.117 -3.463 1.00 0.00 C ATOM 279 OE1 GLU A 22 15.568 0.076 -3.923 1.00 0.00 O ATOM 280 OE2 GLU A 22 13.525 0.951 -3.765 1.00 0.00 O ATOM 0 H GLU A 22 12.390 -4.434 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 22 13.418 -3.330 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.638 -2.794 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.181 -2.097 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.165 -0.618 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.849 -1.087 -1.729 1.00 0.00 H new ATOM 287 N ILE A 23 11.086 -2.733 -0.642 1.00 0.00 N ATOM 288 CA ILE A 23 9.835 -2.157 -0.179 1.00 0.00 C ATOM 289 C ILE A 23 9.998 -0.643 -0.035 1.00 0.00 C ATOM 290 O ILE A 23 10.672 -0.172 0.879 1.00 0.00 O ATOM 291 CB ILE A 23 9.368 -2.850 1.103 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.063 -3.613 0.869 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.250 -1.850 2.255 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.808 -4.620 1.993 1.00 0.00 C ATOM 0 H ILE A 23 11.569 -3.312 0.045 1.00 0.00 H new ATOM 0 HA ILE A 23 9.045 -2.325 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 23 10.122 -3.583 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.232 -2.910 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.108 -4.134 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.916 -2.368 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.221 -1.392 2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.528 -1.077 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.874 -5.149 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.629 -5.336 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.739 -4.093 2.945 1.00 0.00 H new ATOM 306 N ARG A 24 9.369 0.078 -0.952 1.00 0.00 N ATOM 307 CA ARG A 24 9.435 1.529 -0.939 1.00 0.00 C ATOM 308 C ARG A 24 8.214 2.123 -1.642 1.00 0.00 C ATOM 309 O ARG A 24 7.970 1.841 -2.815 1.00 0.00 O ATOM 310 CB ARG A 24 10.706 2.028 -1.629 1.00 0.00 C ATOM 311 CG ARG A 24 11.161 3.366 -1.041 1.00 0.00 C ATOM 312 CD ARG A 24 10.679 4.535 -1.901 1.00 0.00 C ATOM 313 NE ARG A 24 10.204 5.638 -1.036 1.00 0.00 N ATOM 314 CZ ARG A 24 11.002 6.354 -0.216 1.00 0.00 C ATOM 315 NH1 ARG A 24 12.324 6.088 -0.143 1.00 0.00 N ATOM 316 NH2 ARG A 24 10.471 7.318 0.513 1.00 0.00 N ATOM 0 H ARG A 24 8.811 -0.316 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 24 9.450 1.851 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.499 1.289 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.524 2.140 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.774 3.472 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.249 3.386 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.490 4.886 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.875 4.206 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 24 9.211 5.872 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.726 5.342 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.920 6.634 0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.472 7.512 0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.060 7.868 1.138 1.00 0.00 H new ATOM 330 N VAL A 25 7.477 2.934 -0.897 1.00 0.00 N ATOM 331 CA VAL A 25 6.287 3.570 -1.435 1.00 0.00 C ATOM 332 C VAL A 25 6.694 4.576 -2.514 1.00 0.00 C ATOM 333 O VAL A 25 7.124 5.685 -2.203 1.00 0.00 O ATOM 334 CB VAL A 25 5.476 4.204 -0.303 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.336 5.171 0.513 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.229 4.905 -0.848 1.00 0.00 C ATOM 0 H VAL A 25 7.681 3.165 0.075 1.00 0.00 H new ATOM 0 HA VAL A 25 5.640 2.831 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 25 5.148 3.405 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.735 5.608 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.178 4.632 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.708 5.964 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.670 5.347 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.527 5.688 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.600 4.180 -1.364 1.00 0.00 H new ATOM 346 N LEU A 26 6.545 4.151 -3.760 1.00 0.00 N ATOM 347 CA LEU A 26 6.892 5.000 -4.887 1.00 0.00 C ATOM 348 C LEU A 26 5.666 5.814 -5.303 1.00 0.00 C ATOM 349 O LEU A 26 5.748 7.032 -5.457 1.00 0.00 O ATOM 350 CB LEU A 26 7.491 4.166 -6.022 1.00 0.00 C ATOM 351 CG LEU A 26 8.984 3.853 -5.908 1.00 0.00 C ATOM 352 CD1 LEU A 26 9.220 2.347 -5.769 1.00 0.00 C ATOM 353 CD2 LEU A 26 9.760 4.448 -7.085 1.00 0.00 C ATOM 0 H LEU A 26 6.189 3.230 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 26 7.667 5.712 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.946 3.224 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.321 4.692 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 26 9.363 4.323 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.290 2.152 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.717 1.981 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.822 1.834 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.819 4.211 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.385 4.027 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.630 5.530 -7.097 1.00 0.00 H new ATOM 365 N TYR A 27 4.557 5.109 -5.474 1.00 0.00 N ATOM 366 CA TYR A 27 3.315 5.751 -5.869 1.00 0.00 C ATOM 367 C TYR A 27 2.178 5.379 -4.916 1.00 0.00 C ATOM 368 O TYR A 27 1.456 4.411 -5.152 1.00 0.00 O ATOM 369 CB TYR A 27 2.990 5.217 -7.265 1.00 0.00 C ATOM 370 CG TYR A 27 2.611 3.735 -7.292 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.598 2.770 -7.254 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.284 3.363 -7.353 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.241 1.375 -7.279 1.00 0.00 C ATOM 374 CE2 TYR A 27 0.928 1.968 -7.378 1.00 0.00 C ATOM 375 CZ TYR A 27 1.924 1.043 -7.339 1.00 0.00 C ATOM 376 OH TYR A 27 1.587 -0.275 -7.363 1.00 0.00 O ATOM 0 H TYR A 27 4.493 4.099 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 27 3.421 6.836 -5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.169 5.799 -7.683 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.853 5.373 -7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.637 3.061 -7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.512 4.118 -7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.003 0.610 -7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.107 1.663 -7.427 1.00 0.00 H new ATOM 0 HH TYR A 27 2.130 -0.763 -6.709 1.00 0.00 H new ATOM 386 N SER A 28 2.053 6.168 -3.858 1.00 0.00 N ATOM 387 CA SER A 28 1.015 5.933 -2.868 1.00 0.00 C ATOM 388 C SER A 28 -0.347 6.343 -3.431 1.00 0.00 C ATOM 389 O SER A 28 -0.609 7.528 -3.633 1.00 0.00 O ATOM 390 CB SER A 28 1.306 6.696 -1.574 1.00 0.00 C ATOM 391 OG SER A 28 1.469 8.093 -1.803 1.00 0.00 O ATOM 0 H SER A 28 2.653 6.970 -3.665 1.00 0.00 H new ATOM 0 HA SER A 28 0.999 4.868 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.491 6.537 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.209 6.296 -1.113 1.00 0.00 H new ATOM 0 HG SER A 28 0.943 8.360 -2.585 1.00 0.00 H new ATOM 397 N THR A 29 -1.179 5.339 -3.669 1.00 0.00 N ATOM 398 CA THR A 29 -2.508 5.580 -4.204 1.00 0.00 C ATOM 399 C THR A 29 -3.504 5.826 -3.069 1.00 0.00 C ATOM 400 O THR A 29 -3.239 5.478 -1.919 1.00 0.00 O ATOM 401 CB THR A 29 -2.882 4.393 -5.094 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.866 4.919 -5.980 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.621 3.295 -4.326 1.00 0.00 C ATOM 0 H THR A 29 -0.958 4.357 -3.501 1.00 0.00 H new ATOM 0 HA THR A 29 -2.530 6.483 -4.815 1.00 0.00 H new ATOM 0 HB THR A 29 -1.979 3.978 -5.542 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.870 4.399 -6.810 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.863 2.477 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.987 2.924 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.541 3.701 -3.905 1.00 0.00 H new ATOM 411 N LYS A 30 -4.630 6.423 -3.431 1.00 0.00 N ATOM 412 CA LYS A 30 -5.667 6.719 -2.457 1.00 0.00 C ATOM 413 C LYS A 30 -6.778 5.673 -2.568 1.00 0.00 C ATOM 414 O LYS A 30 -7.178 5.301 -3.671 1.00 0.00 O ATOM 415 CB LYS A 30 -6.159 8.159 -2.620 1.00 0.00 C ATOM 416 CG LYS A 30 -6.458 8.792 -1.259 1.00 0.00 C ATOM 417 CD LYS A 30 -7.770 9.579 -1.298 1.00 0.00 C ATOM 418 CE LYS A 30 -8.487 9.515 0.052 1.00 0.00 C ATOM 419 NZ LYS A 30 -9.950 9.638 -0.132 1.00 0.00 N ATOM 0 H LYS A 30 -4.847 6.710 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.269 6.655 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.405 8.748 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.057 8.173 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.518 8.015 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.641 9.454 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.568 10.618 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.417 9.176 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.255 8.573 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.127 10.315 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.440 9.188 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.211 10.644 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.229 9.169 -1.017 1.00 0.00 H new ATOM 433 N VAL A 31 -7.246 5.229 -1.411 1.00 0.00 N ATOM 434 CA VAL A 31 -8.304 4.233 -1.365 1.00 0.00 C ATOM 435 C VAL A 31 -9.629 4.884 -1.765 1.00 0.00 C ATOM 436 O VAL A 31 -9.959 5.970 -1.292 1.00 0.00 O ATOM 437 CB VAL A 31 -8.351 3.584 0.020 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.966 2.185 -0.051 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.958 3.539 0.652 1.00 0.00 C ATOM 0 H VAL A 31 -6.913 5.540 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.107 3.433 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.988 4.198 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.988 1.746 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.982 2.254 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.367 1.557 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.020 3.073 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.289 2.959 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.572 4.553 0.754 1.00 0.00 H new ATOM 449 N THR A 32 -10.353 4.193 -2.633 1.00 0.00 N ATOM 450 CA THR A 32 -11.635 4.690 -3.103 1.00 0.00 C ATOM 451 C THR A 32 -12.745 4.315 -2.119 1.00 0.00 C ATOM 452 O THR A 32 -12.805 3.181 -1.647 1.00 0.00 O ATOM 453 CB THR A 32 -11.865 4.146 -4.514 1.00 0.00 C ATOM 454 OG1 THR A 32 -11.190 5.074 -5.358 1.00 0.00 O ATOM 455 CG2 THR A 32 -13.329 4.243 -4.948 1.00 0.00 C ATOM 0 H THR A 32 -10.076 3.292 -3.023 1.00 0.00 H new ATOM 0 HA THR A 32 -11.642 5.779 -3.154 1.00 0.00 H new ATOM 0 HB THR A 32 -11.542 3.106 -4.559 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.287 4.796 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.437 3.844 -5.956 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.951 3.668 -4.262 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.644 5.286 -4.936 1.00 0.00 H new ATOM 463 N THR A 33 -13.597 5.290 -1.838 1.00 0.00 N ATOM 464 CA THR A 33 -14.702 5.077 -0.918 1.00 0.00 C ATOM 465 C THR A 33 -15.434 3.777 -1.257 1.00 0.00 C ATOM 466 O THR A 33 -16.261 3.305 -0.478 1.00 0.00 O ATOM 467 CB THR A 33 -15.603 6.312 -0.968 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.568 6.080 0.055 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.431 6.382 -2.252 1.00 0.00 C ATOM 0 H THR A 33 -13.545 6.230 -2.231 1.00 0.00 H new ATOM 0 HA THR A 33 -14.347 4.957 0.106 1.00 0.00 H new ATOM 0 HB THR A 33 -14.992 7.210 -0.881 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.745 5.119 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.052 7.277 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.764 6.419 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.067 5.500 -2.323 1.00 0.00 H new ATOM 477 N SER A 34 -15.103 3.234 -2.419 1.00 0.00 N ATOM 478 CA SER A 34 -15.719 1.998 -2.870 1.00 0.00 C ATOM 479 C SER A 34 -14.747 0.831 -2.683 1.00 0.00 C ATOM 480 O SER A 34 -14.942 -0.241 -3.254 1.00 0.00 O ATOM 481 CB SER A 34 -16.150 2.100 -4.334 1.00 0.00 C ATOM 482 OG SER A 34 -15.190 1.524 -5.215 1.00 0.00 O ATOM 0 H SER A 34 -14.416 3.627 -3.062 1.00 0.00 H new ATOM 0 HA SER A 34 -16.611 1.820 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.109 1.599 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.299 3.148 -4.596 1.00 0.00 H new ATOM 0 HG SER A 34 -15.503 1.608 -6.140 1.00 0.00 H new ATOM 488 N ILE A 35 -13.722 1.079 -1.882 1.00 0.00 N ATOM 489 CA ILE A 35 -12.719 0.062 -1.612 1.00 0.00 C ATOM 490 C ILE A 35 -13.337 -1.042 -0.752 1.00 0.00 C ATOM 491 O ILE A 35 -14.488 -0.935 -0.331 1.00 0.00 O ATOM 492 CB ILE A 35 -11.468 0.693 -0.998 1.00 0.00 C ATOM 493 CG1 ILE A 35 -10.204 0.215 -1.716 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.405 0.431 0.508 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.345 -0.653 -0.795 1.00 0.00 C ATOM 0 H ILE A 35 -13.564 1.970 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.389 -0.404 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.528 1.773 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.479 -0.353 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.626 1.075 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.506 0.890 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.284 0.859 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.379 -0.643 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.453 -0.979 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.051 -0.074 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.918 -1.525 -0.478 1.00 0.00 H new ATOM 507 N THR A 36 -12.545 -2.077 -0.516 1.00 0.00 N ATOM 508 CA THR A 36 -13.000 -3.200 0.287 1.00 0.00 C ATOM 509 C THR A 36 -13.156 -2.780 1.750 1.00 0.00 C ATOM 510 O THR A 36 -12.187 -2.375 2.390 1.00 0.00 O ATOM 511 CB THR A 36 -12.015 -4.354 0.087 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.459 -5.351 1.003 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.604 -4.009 0.567 1.00 0.00 C ATOM 0 H THR A 36 -11.591 -2.162 -0.867 1.00 0.00 H new ATOM 0 HA THR A 36 -13.987 -3.538 -0.028 1.00 0.00 H new ATOM 0 HB THR A 36 -11.983 -4.626 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.702 -5.657 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.945 -4.862 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.231 -3.149 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.630 -3.770 1.630 1.00 0.00 H new ATOM 521 N SER A 37 -14.383 -2.893 2.237 1.00 0.00 N ATOM 522 CA SER A 37 -14.679 -2.531 3.613 1.00 0.00 C ATOM 523 C SER A 37 -15.175 -3.757 4.382 1.00 0.00 C ATOM 524 O SER A 37 -15.024 -3.833 5.600 1.00 0.00 O ATOM 525 CB SER A 37 -15.717 -1.409 3.676 1.00 0.00 C ATOM 526 OG SER A 37 -16.407 -1.250 2.439 1.00 0.00 O ATOM 0 H SER A 37 -15.184 -3.230 1.703 1.00 0.00 H new ATOM 0 HA SER A 37 -13.762 -2.167 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.436 -1.624 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.224 -0.473 3.939 1.00 0.00 H new ATOM 0 HG SER A 37 -17.062 -0.525 2.520 1.00 0.00 H new ATOM 532 N LYS A 38 -15.756 -4.687 3.638 1.00 0.00 N ATOM 533 CA LYS A 38 -16.275 -5.906 4.235 1.00 0.00 C ATOM 534 C LYS A 38 -15.317 -7.062 3.938 1.00 0.00 C ATOM 535 O LYS A 38 -14.957 -7.821 4.837 1.00 0.00 O ATOM 536 CB LYS A 38 -17.710 -6.162 3.770 1.00 0.00 C ATOM 537 CG LYS A 38 -17.729 -6.978 2.476 1.00 0.00 C ATOM 538 CD LYS A 38 -19.157 -7.389 2.109 1.00 0.00 C ATOM 539 CE LYS A 38 -19.453 -8.816 2.574 1.00 0.00 C ATOM 540 NZ LYS A 38 -18.552 -9.778 1.901 1.00 0.00 N ATOM 0 H LYS A 38 -15.879 -4.621 2.628 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.329 -5.806 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.259 -6.693 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.220 -5.212 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.296 -6.392 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.109 -7.867 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.867 -6.699 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.294 -7.319 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.328 -8.886 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.491 -9.068 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.041 -10.689 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.284 -9.407 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.697 -9.915 2.478 1.00 0.00 H new ATOM 554 N LYS A 39 -14.931 -7.159 2.674 1.00 0.00 N ATOM 555 CA LYS A 39 -14.022 -8.209 2.248 1.00 0.00 C ATOM 556 C LYS A 39 -12.645 -7.969 2.869 1.00 0.00 C ATOM 557 O LYS A 39 -12.057 -6.903 2.693 1.00 0.00 O ATOM 558 CB LYS A 39 -13.999 -8.310 0.721 1.00 0.00 C ATOM 559 CG LYS A 39 -14.265 -9.746 0.263 1.00 0.00 C ATOM 560 CD LYS A 39 -12.963 -10.543 0.173 1.00 0.00 C ATOM 561 CE LYS A 39 -12.215 -10.228 -1.124 1.00 0.00 C ATOM 562 NZ LYS A 39 -10.772 -10.032 -0.856 1.00 0.00 N ATOM 0 H LYS A 39 -15.231 -6.528 1.931 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.367 -9.180 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.751 -7.644 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.031 -7.978 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.946 -10.233 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.757 -9.736 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.329 -10.309 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.182 -11.610 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.351 -11.042 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.631 -9.331 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.485 -9.086 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.593 -10.120 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.223 -10.753 -1.367 1.00 0.00 H new ATOM 576 N TRP A 40 -12.169 -8.978 3.584 1.00 0.00 N ATOM 577 CA TRP A 40 -10.872 -8.890 4.233 1.00 0.00 C ATOM 578 C TRP A 40 -10.219 -10.273 4.174 1.00 0.00 C ATOM 579 O TRP A 40 -10.836 -11.271 4.543 1.00 0.00 O ATOM 580 CB TRP A 40 -11.007 -8.353 5.659 1.00 0.00 C ATOM 581 CG TRP A 40 -11.474 -6.898 5.734 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.389 -6.367 6.556 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.008 -5.802 4.919 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.546 -5.014 6.332 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.680 -4.660 5.304 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.050 -5.777 3.890 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.466 -3.409 4.713 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.849 -4.519 3.309 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.517 -3.360 3.686 1.00 0.00 C ATOM 0 H TRP A 40 -12.659 -9.861 3.728 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.229 -8.179 3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.712 -8.979 6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.044 -8.441 6.162 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -12.935 -6.927 7.300 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.181 -4.389 6.829 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.512 -6.658 3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.004 -2.529 5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.124 -4.444 2.512 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.304 -2.425 3.188 1.00 0.00 H new ATOM 600 N GLY A 41 -8.979 -10.287 3.707 1.00 0.00 N ATOM 601 CA GLY A 41 -8.236 -11.531 3.595 1.00 0.00 C ATOM 602 C GLY A 41 -6.993 -11.509 4.487 1.00 0.00 C ATOM 603 O GLY A 41 -6.516 -10.440 4.867 1.00 0.00 O ATOM 0 H GLY A 41 -8.470 -9.457 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.876 -12.367 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.941 -11.691 2.558 1.00 0.00 H new ATOM 607 N THR A 42 -6.504 -12.701 4.795 1.00 0.00 N ATOM 608 CA THR A 42 -5.325 -12.832 5.635 1.00 0.00 C ATOM 609 C THR A 42 -4.155 -12.049 5.037 1.00 0.00 C ATOM 610 O THR A 42 -3.348 -11.477 5.768 1.00 0.00 O ATOM 611 CB THR A 42 -5.033 -14.324 5.810 1.00 0.00 C ATOM 612 OG1 THR A 42 -5.821 -14.702 6.935 1.00 0.00 O ATOM 613 CG2 THR A 42 -3.594 -14.590 6.256 1.00 0.00 C ATOM 0 H THR A 42 -6.902 -13.585 4.478 1.00 0.00 H new ATOM 0 HA THR A 42 -5.492 -12.401 6.622 1.00 0.00 H new ATOM 0 HB THR A 42 -5.224 -14.844 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.693 -15.656 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.439 -15.663 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.903 -14.198 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.412 -14.098 7.212 1.00 0.00 H new ATOM 621 N ARG A 43 -4.099 -12.049 3.713 1.00 0.00 N ATOM 622 CA ARG A 43 -3.040 -11.346 3.009 1.00 0.00 C ATOM 623 C ARG A 43 -3.514 -9.952 2.594 1.00 0.00 C ATOM 624 O ARG A 43 -2.799 -9.231 1.899 1.00 0.00 O ATOM 625 CB ARG A 43 -2.599 -12.119 1.764 1.00 0.00 C ATOM 626 CG ARG A 43 -1.372 -12.983 2.061 1.00 0.00 C ATOM 627 CD ARG A 43 -0.859 -13.662 0.790 1.00 0.00 C ATOM 628 NE ARG A 43 -1.971 -14.356 0.102 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.860 -14.952 -1.104 1.00 0.00 C ATOM 630 NH1 ARG A 43 -0.685 -14.944 -1.767 1.00 0.00 N ATOM 631 NH2 ARG A 43 -2.920 -15.543 -1.625 1.00 0.00 N ATOM 0 H ARG A 43 -4.770 -12.525 3.109 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.192 -11.258 3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.416 -12.750 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.370 -11.420 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.584 -12.366 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.626 -13.739 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.416 -12.920 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.074 -14.375 1.041 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.878 -14.386 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.129 -14.485 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.610 -15.397 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.805 -15.544 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.854 -15.998 -2.535 1.00 0.00 H new ATOM 645 N ASP A 44 -4.716 -9.614 3.037 1.00 0.00 N ATOM 646 CA ASP A 44 -5.293 -8.319 2.720 1.00 0.00 C ATOM 647 C ASP A 44 -5.193 -7.407 3.944 1.00 0.00 C ATOM 648 O ASP A 44 -4.999 -7.882 5.062 1.00 0.00 O ATOM 649 CB ASP A 44 -6.772 -8.451 2.349 1.00 0.00 C ATOM 650 CG ASP A 44 -7.153 -7.862 0.989 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.799 -6.685 0.761 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.789 -8.602 0.208 1.00 0.00 O ATOM 0 H ASP A 44 -5.306 -10.215 3.613 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.744 -7.904 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.041 -9.507 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.369 -7.963 3.119 1.00 0.00 H new ATOM 657 N LEU A 45 -5.328 -6.113 3.692 1.00 0.00 N ATOM 658 CA LEU A 45 -5.254 -5.131 4.760 1.00 0.00 C ATOM 659 C LEU A 45 -6.671 -4.758 5.202 1.00 0.00 C ATOM 660 O LEU A 45 -7.612 -4.837 4.415 1.00 0.00 O ATOM 661 CB LEU A 45 -4.410 -3.931 4.326 1.00 0.00 C ATOM 662 CG LEU A 45 -3.586 -3.258 5.426 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.510 -4.205 5.962 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.993 -1.936 4.936 1.00 0.00 C ATOM 0 H LEU A 45 -5.488 -5.722 2.764 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.748 -5.550 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.731 -4.256 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.073 -3.185 3.888 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.252 -3.024 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.939 -3.702 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.983 -5.096 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.841 -4.492 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.412 -1.479 5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.345 -2.123 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.798 -1.263 4.642 1.00 0.00 H new ATOM 676 N GLN A 46 -6.777 -4.361 6.462 1.00 0.00 N ATOM 677 CA GLN A 46 -8.063 -3.976 7.019 1.00 0.00 C ATOM 678 C GLN A 46 -8.330 -2.492 6.762 1.00 0.00 C ATOM 679 O GLN A 46 -8.986 -1.828 7.563 1.00 0.00 O ATOM 680 CB GLN A 46 -8.130 -4.295 8.514 1.00 0.00 C ATOM 681 CG GLN A 46 -9.414 -3.740 9.135 1.00 0.00 C ATOM 682 CD GLN A 46 -9.877 -4.611 10.305 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.679 -4.293 11.466 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.503 -5.725 9.935 1.00 0.00 N ATOM 0 H GLN A 46 -5.994 -4.298 7.113 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.841 -4.556 6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.087 -5.374 8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.263 -3.869 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.244 -2.720 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.198 -3.694 8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.635 -5.931 8.945 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.851 -6.373 10.642 1.00 0.00 H new ATOM 693 N VAL A 47 -7.807 -2.014 5.642 1.00 0.00 N ATOM 694 CA VAL A 47 -7.981 -0.621 5.269 1.00 0.00 C ATOM 695 C VAL A 47 -9.466 -0.343 5.029 1.00 0.00 C ATOM 696 O VAL A 47 -10.244 -1.266 4.795 1.00 0.00 O ATOM 697 CB VAL A 47 -7.107 -0.290 4.058 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.625 -0.485 4.381 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.518 -1.124 2.842 1.00 0.00 C ATOM 0 H VAL A 47 -7.262 -2.567 4.981 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.655 0.034 6.077 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.260 0.761 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.026 -0.243 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.343 0.171 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.448 -1.522 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.881 -0.870 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.408 -2.183 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.558 -0.913 2.591 1.00 0.00 H new ATOM 709 N LYS A 48 -9.815 0.934 5.096 1.00 0.00 N ATOM 710 CA LYS A 48 -11.193 1.345 4.889 1.00 0.00 C ATOM 711 C LYS A 48 -11.303 2.095 3.560 1.00 0.00 C ATOM 712 O LYS A 48 -10.321 2.658 3.078 1.00 0.00 O ATOM 713 CB LYS A 48 -11.700 2.145 6.091 1.00 0.00 C ATOM 714 CG LYS A 48 -12.186 1.214 7.203 1.00 0.00 C ATOM 715 CD LYS A 48 -11.043 0.854 8.155 1.00 0.00 C ATOM 716 CE LYS A 48 -11.582 0.443 9.527 1.00 0.00 C ATOM 717 NZ LYS A 48 -10.822 1.117 10.604 1.00 0.00 N ATOM 0 H LYS A 48 -9.167 1.697 5.291 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.844 0.474 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.902 2.784 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.513 2.801 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.990 1.695 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.600 0.305 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.455 0.039 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.373 1.707 8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.638 0.702 9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.510 -0.638 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.200 0.828 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.819 0.850 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.913 2.148 10.500 1.00 0.00 H new ATOM 731 N PRO A 49 -12.538 2.078 2.991 1.00 0.00 N ATOM 732 CA PRO A 49 -12.788 2.750 1.727 1.00 0.00 C ATOM 733 C PRO A 49 -12.858 4.267 1.917 1.00 0.00 C ATOM 734 O PRO A 49 -13.588 4.755 2.778 1.00 0.00 O ATOM 735 CB PRO A 49 -14.090 2.155 1.216 1.00 0.00 C ATOM 736 CG PRO A 49 -14.758 1.516 2.423 1.00 0.00 C ATOM 737 CD PRO A 49 -13.724 1.422 3.533 1.00 0.00 C ATOM 0 HA PRO A 49 -11.986 2.599 1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.726 2.925 0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.903 1.416 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.612 2.111 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.137 0.526 2.170 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.071 1.917 4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.518 0.384 3.795 1.00 0.00 H new ATOM 745 N GLY A 50 -12.090 4.970 1.098 1.00 0.00 N ATOM 746 CA GLY A 50 -12.056 6.421 1.165 1.00 0.00 C ATOM 747 C GLY A 50 -10.849 6.904 1.972 1.00 0.00 C ATOM 748 O GLY A 50 -10.756 8.083 2.311 1.00 0.00 O ATOM 0 H GLY A 50 -11.486 4.562 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.013 6.834 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.975 6.789 1.622 1.00 0.00 H new ATOM 752 N GLU A 51 -9.954 5.969 2.255 1.00 0.00 N ATOM 753 CA GLU A 51 -8.757 6.285 3.015 1.00 0.00 C ATOM 754 C GLU A 51 -7.544 6.368 2.086 1.00 0.00 C ATOM 755 O GLU A 51 -7.641 6.044 0.903 1.00 0.00 O ATOM 756 CB GLU A 51 -8.526 5.259 4.127 1.00 0.00 C ATOM 757 CG GLU A 51 -8.798 5.870 5.502 1.00 0.00 C ATOM 758 CD GLU A 51 -10.210 6.455 5.574 1.00 0.00 C ATOM 759 OE1 GLU A 51 -11.131 5.776 5.070 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.337 7.567 6.130 1.00 0.00 O ATOM 0 H GLU A 51 -10.034 4.992 1.972 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.897 7.258 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.176 4.398 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.499 4.895 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.677 5.109 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.066 6.651 5.708 1.00 0.00 H new ATOM 767 N SER A 52 -6.430 6.804 2.656 1.00 0.00 N ATOM 768 CA SER A 52 -5.200 6.934 1.893 1.00 0.00 C ATOM 769 C SER A 52 -4.079 6.144 2.570 1.00 0.00 C ATOM 770 O SER A 52 -3.848 6.289 3.770 1.00 0.00 O ATOM 771 CB SER A 52 -4.798 8.403 1.743 1.00 0.00 C ATOM 772 OG SER A 52 -5.219 9.188 2.854 1.00 0.00 O ATOM 0 H SER A 52 -6.353 7.072 3.637 1.00 0.00 H new ATOM 0 HA SER A 52 -5.371 6.528 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.715 8.474 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.233 8.806 0.829 1.00 0.00 H new ATOM 0 HG SER A 52 -4.942 10.119 2.721 1.00 0.00 H new ATOM 778 N LEU A 53 -3.411 5.323 1.772 1.00 0.00 N ATOM 779 CA LEU A 53 -2.320 4.510 2.279 1.00 0.00 C ATOM 780 C LEU A 53 -1.183 4.493 1.255 1.00 0.00 C ATOM 781 O LEU A 53 -1.381 4.859 0.097 1.00 0.00 O ATOM 782 CB LEU A 53 -2.823 3.116 2.662 1.00 0.00 C ATOM 783 CG LEU A 53 -1.815 2.211 3.373 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.278 2.878 4.641 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.421 0.836 3.661 1.00 0.00 C ATOM 0 H LEU A 53 -3.605 5.204 0.778 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.918 4.942 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.695 3.230 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.159 2.611 1.756 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.966 2.056 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.564 2.214 5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.783 3.813 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.104 3.083 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.684 0.212 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.298 0.951 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.714 0.364 2.723 1.00 0.00 H new ATOM 797 N GLU A 54 -0.018 4.064 1.717 1.00 0.00 N ATOM 798 CA GLU A 54 1.150 3.994 0.856 1.00 0.00 C ATOM 799 C GLU A 54 1.078 2.754 -0.037 1.00 0.00 C ATOM 800 O GLU A 54 0.807 1.654 0.443 1.00 0.00 O ATOM 801 CB GLU A 54 2.439 4.003 1.679 1.00 0.00 C ATOM 802 CG GLU A 54 3.096 5.385 1.653 1.00 0.00 C ATOM 803 CD GLU A 54 2.845 6.136 2.963 1.00 0.00 C ATOM 804 OE1 GLU A 54 3.127 5.537 4.023 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.378 7.291 2.874 1.00 0.00 O ATOM 0 H GLU A 54 0.142 3.761 2.678 1.00 0.00 H new ATOM 0 HA GLU A 54 1.160 4.877 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.219 3.720 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.132 3.259 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.169 5.279 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.702 5.963 0.817 1.00 0.00 H new ATOM 812 N VAL A 55 1.324 2.972 -1.320 1.00 0.00 N ATOM 813 CA VAL A 55 1.291 1.886 -2.284 1.00 0.00 C ATOM 814 C VAL A 55 2.723 1.472 -2.630 1.00 0.00 C ATOM 815 O VAL A 55 3.552 2.315 -2.969 1.00 0.00 O ATOM 816 CB VAL A 55 0.476 2.300 -3.511 1.00 0.00 C ATOM 817 CG1 VAL A 55 0.973 1.582 -4.767 1.00 0.00 C ATOM 818 CG2 VAL A 55 -1.017 2.046 -3.289 1.00 0.00 C ATOM 0 H VAL A 55 1.547 3.886 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 55 0.794 1.014 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 55 0.615 3.371 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.377 1.894 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.019 1.835 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.878 0.505 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.573 2.349 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.182 0.985 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.361 2.623 -2.431 1.00 0.00 H new ATOM 828 N ILE A 56 2.970 0.174 -2.532 1.00 0.00 N ATOM 829 CA ILE A 56 4.287 -0.362 -2.830 1.00 0.00 C ATOM 830 C ILE A 56 4.342 -0.780 -4.301 1.00 0.00 C ATOM 831 O ILE A 56 3.838 -0.072 -5.171 1.00 0.00 O ATOM 832 CB ILE A 56 4.640 -1.488 -1.857 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.333 -1.082 -0.414 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.096 -1.927 -2.031 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.019 -2.024 0.578 1.00 0.00 C ATOM 0 H ILE A 56 2.280 -0.522 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 56 5.051 0.402 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 56 4.014 -2.349 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.668 -0.059 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.256 -1.097 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.321 -2.728 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.249 -2.285 -3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.756 -1.081 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.785 -1.713 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.664 -3.042 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.098 -1.988 0.427 1.00 0.00 H new ATOM 847 N GLN A 57 4.959 -1.929 -4.533 1.00 0.00 N ATOM 848 CA GLN A 57 5.087 -2.450 -5.884 1.00 0.00 C ATOM 849 C GLN A 57 3.946 -3.424 -6.187 1.00 0.00 C ATOM 850 O GLN A 57 3.348 -3.988 -5.272 1.00 0.00 O ATOM 851 CB GLN A 57 6.448 -3.119 -6.087 1.00 0.00 C ATOM 852 CG GLN A 57 7.565 -2.077 -6.164 1.00 0.00 C ATOM 853 CD GLN A 57 7.848 -1.682 -7.615 1.00 0.00 C ATOM 854 OE1 GLN A 57 8.398 -2.441 -8.396 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.442 -0.456 -7.931 1.00 0.00 N ATOM 0 H GLN A 57 5.376 -2.514 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 57 5.022 -1.616 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.645 -3.808 -5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.434 -3.710 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.283 -1.193 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.471 -2.476 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.988 0.128 -7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.585 -0.099 -8.876 1.00 0.00 H new ATOM 864 N THR A 58 3.680 -3.591 -7.474 1.00 0.00 N ATOM 865 CA THR A 58 2.622 -4.487 -7.909 1.00 0.00 C ATOM 866 C THR A 58 2.991 -5.939 -7.599 1.00 0.00 C ATOM 867 O THR A 58 4.037 -6.423 -8.029 1.00 0.00 O ATOM 868 CB THR A 58 2.365 -4.230 -9.395 1.00 0.00 C ATOM 869 OG1 THR A 58 3.669 -4.127 -9.960 1.00 0.00 O ATOM 870 CG2 THR A 58 1.739 -2.857 -9.652 1.00 0.00 C ATOM 0 H THR A 58 4.179 -3.121 -8.230 1.00 0.00 H new ATOM 0 HA THR A 58 1.696 -4.297 -7.367 1.00 0.00 H new ATOM 0 HB THR A 58 1.711 -5.007 -9.790 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.207 -4.898 -9.683 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.577 -2.725 -10.722 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.785 -2.789 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.409 -2.078 -9.288 1.00 0.00 H new ATOM 878 N THR A 59 2.112 -6.594 -6.854 1.00 0.00 N ATOM 879 CA THR A 59 2.333 -7.981 -6.481 1.00 0.00 C ATOM 880 C THR A 59 2.565 -8.837 -7.727 1.00 0.00 C ATOM 881 O THR A 59 3.694 -9.239 -8.007 1.00 0.00 O ATOM 882 CB THR A 59 1.140 -8.440 -5.641 1.00 0.00 C ATOM 883 OG1 THR A 59 1.456 -8.006 -4.321 1.00 0.00 O ATOM 884 CG2 THR A 59 1.058 -9.963 -5.524 1.00 0.00 C ATOM 0 H THR A 59 1.246 -6.190 -6.499 1.00 0.00 H new ATOM 0 HA THR A 59 3.234 -8.090 -5.878 1.00 0.00 H new ATOM 0 HB THR A 59 0.218 -8.060 -6.082 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.020 -8.594 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.194 -10.235 -4.918 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.956 -10.399 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.965 -10.341 -5.053 1.00 0.00 H new ATOM 892 N ASP A 60 1.479 -9.091 -8.442 1.00 0.00 N ATOM 893 CA ASP A 60 1.551 -9.893 -9.652 1.00 0.00 C ATOM 894 C ASP A 60 1.443 -8.977 -10.873 1.00 0.00 C ATOM 895 O ASP A 60 2.451 -8.476 -11.368 1.00 0.00 O ATOM 896 CB ASP A 60 0.400 -10.900 -9.714 1.00 0.00 C ATOM 897 CG ASP A 60 0.161 -11.524 -11.090 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.020 -12.332 -11.504 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.876 -11.180 -11.697 1.00 0.00 O ATOM 0 H ASP A 60 0.545 -8.756 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 60 2.500 -10.429 -9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.597 -11.699 -8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.515 -10.403 -9.393 1.00 0.00 H new ATOM 904 N ASP A 61 0.212 -8.786 -11.323 1.00 0.00 N ATOM 905 CA ASP A 61 -0.041 -7.939 -12.476 1.00 0.00 C ATOM 906 C ASP A 61 -0.903 -6.748 -12.050 1.00 0.00 C ATOM 907 O ASP A 61 -0.508 -5.597 -12.227 1.00 0.00 O ATOM 908 CB ASP A 61 -0.795 -8.703 -13.566 1.00 0.00 C ATOM 909 CG ASP A 61 0.055 -9.688 -14.371 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.127 -9.257 -14.846 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.387 -10.851 -14.492 1.00 0.00 O ATOM 0 H ASP A 61 -0.622 -9.204 -10.910 1.00 0.00 H new ATOM 0 HA ASP A 61 0.920 -7.607 -12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.617 -9.249 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.238 -7.982 -14.253 1.00 0.00 H new ATOM 916 N THR A 62 -2.064 -7.067 -11.497 1.00 0.00 N ATOM 917 CA THR A 62 -2.985 -6.038 -11.045 1.00 0.00 C ATOM 918 C THR A 62 -3.198 -6.141 -9.534 1.00 0.00 C ATOM 919 O THR A 62 -4.283 -6.502 -9.079 1.00 0.00 O ATOM 920 CB THR A 62 -4.278 -6.174 -11.852 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.876 -6.848 -13.041 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.803 -4.825 -12.347 1.00 0.00 C ATOM 0 H THR A 62 -2.388 -8.023 -11.352 1.00 0.00 H new ATOM 0 HA THR A 62 -2.581 -5.041 -11.218 1.00 0.00 H new ATOM 0 HB THR A 62 -5.039 -6.657 -11.239 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.654 -6.979 -13.622 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.722 -4.978 -12.914 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.006 -4.178 -11.493 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.056 -4.356 -12.987 1.00 0.00 H new ATOM 930 N LYS A 63 -2.147 -5.815 -8.797 1.00 0.00 N ATOM 931 CA LYS A 63 -2.205 -5.866 -7.346 1.00 0.00 C ATOM 932 C LYS A 63 -1.131 -4.944 -6.764 1.00 0.00 C ATOM 933 O LYS A 63 0.033 -5.018 -7.153 1.00 0.00 O ATOM 934 CB LYS A 63 -2.106 -7.312 -6.855 1.00 0.00 C ATOM 935 CG LYS A 63 -2.049 -7.370 -5.328 1.00 0.00 C ATOM 936 CD LYS A 63 -2.219 -8.806 -4.827 1.00 0.00 C ATOM 937 CE LYS A 63 -3.608 -9.346 -5.172 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.498 -10.594 -5.959 1.00 0.00 N ATOM 0 H LYS A 63 -1.250 -5.514 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.168 -5.499 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.965 -7.881 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.216 -7.782 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.096 -6.970 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.832 -6.739 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.456 -9.443 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.070 -8.838 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.169 -9.535 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.164 -8.600 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.450 -10.947 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.981 -10.404 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.986 -11.310 -5.405 1.00 0.00 H new ATOM 952 N VAL A 64 -1.561 -4.097 -5.840 1.00 0.00 N ATOM 953 CA VAL A 64 -0.651 -3.162 -5.201 1.00 0.00 C ATOM 954 C VAL A 64 -0.646 -3.414 -3.691 1.00 0.00 C ATOM 955 O VAL A 64 -1.702 -3.458 -3.062 1.00 0.00 O ATOM 956 CB VAL A 64 -1.034 -1.727 -5.566 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.296 -1.595 -7.068 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.243 -1.258 -4.755 1.00 0.00 C ATOM 0 H VAL A 64 -2.527 -4.039 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 64 0.367 -3.314 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.192 -1.082 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.566 -0.565 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.396 -1.868 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.112 -2.258 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.494 -0.235 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.093 -1.909 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.005 -1.296 -3.692 1.00 0.00 H new ATOM 968 N LEU A 65 0.555 -3.572 -3.154 1.00 0.00 N ATOM 969 CA LEU A 65 0.711 -3.817 -1.731 1.00 0.00 C ATOM 970 C LEU A 65 0.784 -2.480 -0.991 1.00 0.00 C ATOM 971 O LEU A 65 1.623 -1.637 -1.307 1.00 0.00 O ATOM 972 CB LEU A 65 1.913 -4.728 -1.473 1.00 0.00 C ATOM 973 CG LEU A 65 2.875 -4.275 -0.373 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.382 -4.722 1.005 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.299 -4.757 -0.656 1.00 0.00 C ATOM 0 H LEU A 65 1.429 -3.535 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.155 -4.351 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.543 -5.721 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.475 -4.826 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 65 2.899 -3.185 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.084 -4.387 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.401 -4.288 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.310 -5.809 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.962 -4.421 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.312 -5.846 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.639 -4.348 -1.607 1.00 0.00 H new ATOM 987 N CYS A 66 -0.107 -2.327 -0.022 1.00 0.00 N ATOM 988 CA CYS A 66 -0.154 -1.106 0.764 1.00 0.00 C ATOM 989 C CYS A 66 0.774 -1.274 1.969 1.00 0.00 C ATOM 990 O CYS A 66 1.088 -2.396 2.363 1.00 0.00 O ATOM 991 CB CYS A 66 -1.583 -0.761 1.188 1.00 0.00 C ATOM 992 SG CYS A 66 -2.716 -0.922 -0.240 1.00 0.00 S ATOM 0 H CYS A 66 -0.801 -3.028 0.236 1.00 0.00 H new ATOM 0 HA CYS A 66 0.188 -0.267 0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.902 -1.423 1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.620 0.256 1.579 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.930 -0.650 0.136 1.00 0.00 H new ATOM 998 N ARG A 67 1.186 -0.142 2.521 1.00 0.00 N ATOM 999 CA ARG A 67 2.071 -0.151 3.673 1.00 0.00 C ATOM 1000 C ARG A 67 1.578 0.842 4.728 1.00 0.00 C ATOM 1001 O ARG A 67 1.015 1.882 4.392 1.00 0.00 O ATOM 1002 CB ARG A 67 3.502 0.212 3.271 1.00 0.00 C ATOM 1003 CG ARG A 67 4.521 -0.557 4.114 1.00 0.00 C ATOM 1004 CD ARG A 67 5.907 0.084 4.019 1.00 0.00 C ATOM 1005 NE ARG A 67 6.477 0.259 5.374 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.690 0.797 5.620 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.473 1.219 4.604 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.100 0.906 6.870 1.00 0.00 N ATOM 0 H ARG A 67 0.923 0.787 2.192 1.00 0.00 H new ATOM 0 HA ARG A 67 2.067 -1.159 4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.655 -0.012 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.657 1.284 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.196 -0.577 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.571 -1.592 3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.566 -0.541 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.837 1.049 3.517 1.00 0.00 H new ATOM 0 HE ARG A 67 5.918 -0.046 6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.149 1.132 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.388 1.624 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.503 0.586 7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.014 1.310 7.073 1.00 0.00 H new ATOM 1022 N ASN A 68 1.809 0.485 5.983 1.00 0.00 N ATOM 1023 CA ASN A 68 1.396 1.331 7.090 1.00 0.00 C ATOM 1024 C ASN A 68 2.636 1.871 7.805 1.00 0.00 C ATOM 1025 O ASN A 68 3.614 1.149 7.989 1.00 0.00 O ATOM 1026 CB ASN A 68 0.569 0.542 8.108 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.814 0.204 7.548 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.959 -0.516 6.574 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -1.819 0.764 8.215 1.00 0.00 N ATOM 0 H ASN A 68 2.277 -0.379 6.258 1.00 0.00 H new ATOM 0 HA ASN A 68 0.791 2.143 6.686 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.092 -0.377 8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.462 1.123 9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.781 0.601 7.919 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.628 1.357 9.023 1.00 0.00 H new ATOM 1036 N GLU A 69 2.554 3.136 8.188 1.00 0.00 N ATOM 1037 CA GLU A 69 3.658 3.781 8.879 1.00 0.00 C ATOM 1038 C GLU A 69 4.067 2.964 10.106 1.00 0.00 C ATOM 1039 O GLU A 69 5.168 3.130 10.628 1.00 0.00 O ATOM 1040 CB GLU A 69 3.297 5.215 9.271 1.00 0.00 C ATOM 1041 CG GLU A 69 4.450 5.886 10.021 1.00 0.00 C ATOM 1042 CD GLU A 69 4.778 7.252 9.414 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.707 7.352 8.170 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.092 8.165 10.207 1.00 0.00 O ATOM 0 H GLU A 69 1.741 3.732 8.033 1.00 0.00 H new ATOM 0 HA GLU A 69 4.508 3.828 8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.056 5.790 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.405 5.211 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.185 6.005 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.332 5.247 9.986 1.00 0.00 H new ATOM 1051 N GLU A 70 3.158 2.099 10.531 1.00 0.00 N ATOM 1052 CA GLU A 70 3.410 1.255 11.687 1.00 0.00 C ATOM 1053 C GLU A 70 4.288 0.065 11.294 1.00 0.00 C ATOM 1054 O GLU A 70 4.685 -0.726 12.148 1.00 0.00 O ATOM 1055 CB GLU A 70 2.098 0.785 12.318 1.00 0.00 C ATOM 1056 CG GLU A 70 2.319 0.322 13.760 1.00 0.00 C ATOM 1057 CD GLU A 70 2.818 1.473 14.635 1.00 0.00 C ATOM 1058 OE1 GLU A 70 2.161 2.536 14.604 1.00 0.00 O ATOM 1059 OE2 GLU A 70 3.846 1.265 15.315 1.00 0.00 O ATOM 0 H GLU A 70 2.246 1.964 10.096 1.00 0.00 H new ATOM 0 HA GLU A 70 3.944 1.843 12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.370 1.596 12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.679 -0.032 11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.387 -0.071 14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.043 -0.493 13.777 1.00 0.00 H new ATOM 1066 N GLY A 71 4.564 -0.024 10.001 1.00 0.00 N ATOM 1067 CA GLY A 71 5.387 -1.104 9.485 1.00 0.00 C ATOM 1068 C GLY A 71 4.533 -2.323 9.130 1.00 0.00 C ATOM 1069 O GLY A 71 5.052 -3.430 8.992 1.00 0.00 O ATOM 0 H GLY A 71 4.232 0.634 9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.927 -0.764 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.134 -1.383 10.228 1.00 0.00 H new ATOM 1073 N LYS A 72 3.238 -2.079 8.993 1.00 0.00 N ATOM 1074 CA LYS A 72 2.308 -3.143 8.658 1.00 0.00 C ATOM 1075 C LYS A 72 2.061 -3.141 7.148 1.00 0.00 C ATOM 1076 O LYS A 72 1.667 -2.123 6.581 1.00 0.00 O ATOM 1077 CB LYS A 72 1.030 -3.019 9.490 1.00 0.00 C ATOM 1078 CG LYS A 72 0.113 -4.225 9.270 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.316 -3.917 9.722 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.856 -2.670 9.019 1.00 0.00 C ATOM 1081 NZ LYS A 72 -3.306 -2.811 8.754 1.00 0.00 N ATOM 0 H LYS A 72 2.811 -1.160 9.108 1.00 0.00 H new ATOM 0 HA LYS A 72 2.733 -4.114 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.286 -2.940 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.504 -2.103 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.113 -4.499 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.496 -5.083 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.961 -4.769 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.336 -3.768 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.677 -1.790 9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.322 -2.514 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.601 -2.102 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.501 -3.764 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.836 -2.666 9.637 1.00 0.00 H new ATOM 1095 N TYR A 73 2.302 -4.293 6.539 1.00 0.00 N ATOM 1096 CA TYR A 73 2.111 -4.437 5.106 1.00 0.00 C ATOM 1097 C TYR A 73 0.938 -5.371 4.800 1.00 0.00 C ATOM 1098 O TYR A 73 0.632 -6.266 5.586 1.00 0.00 O ATOM 1099 CB TYR A 73 3.400 -5.062 4.569 1.00 0.00 C ATOM 1100 CG TYR A 73 4.622 -4.147 4.663 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.117 -3.782 5.899 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.230 -3.687 3.513 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.268 -2.920 5.987 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.380 -2.826 3.601 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.842 -2.485 4.834 1.00 0.00 C ATOM 1106 OH TYR A 73 7.929 -1.671 4.918 1.00 0.00 O ATOM 0 H TYR A 73 2.628 -5.136 7.012 1.00 0.00 H new ATOM 0 HA TYR A 73 1.893 -3.472 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.603 -5.980 5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.249 -5.343 3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.642 -4.142 6.799 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.843 -3.973 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.666 -2.626 6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.865 -2.459 2.708 1.00 0.00 H new ATOM 0 HH TYR A 73 8.714 -2.199 5.175 1.00 0.00 H new ATOM 1116 N GLY A 74 0.315 -5.131 3.656 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.817 -5.940 3.237 1.00 0.00 C ATOM 1118 C GLY A 74 -1.039 -5.831 1.727 1.00 0.00 C ATOM 1119 O GLY A 74 -0.549 -4.900 1.089 1.00 0.00 O ATOM 0 H GLY A 74 0.572 -4.388 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.645 -6.981 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.715 -5.617 3.765 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.779 -6.795 1.199 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.073 -6.819 -0.224 1.00 0.00 C ATOM 1125 C TYR A 75 -3.485 -6.300 -0.501 1.00 0.00 C ATOM 1126 O TYR A 75 -4.359 -6.376 0.361 1.00 0.00 O ATOM 1127 CB TYR A 75 -1.989 -8.287 -0.647 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.561 -8.792 -0.860 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.338 -8.036 -1.585 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.172 -10.005 -0.328 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.682 -8.512 -1.786 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.173 -10.481 -0.529 1.00 0.00 C ATOM 1133 CZ TYR A 75 2.033 -9.711 -1.248 1.00 0.00 C ATOM 1134 OH TYR A 75 3.302 -10.161 -1.438 1.00 0.00 O ATOM 0 H TYR A 75 -2.184 -7.565 1.731 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.375 -6.186 -0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.471 -8.902 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.553 -8.421 -1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.033 -7.087 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.876 -10.597 0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.395 -7.930 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.491 -11.428 -0.118 1.00 0.00 H new ATOM 0 HH TYR A 75 3.883 -9.811 -0.730 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.665 -5.784 -1.709 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.956 -5.253 -2.111 1.00 0.00 C ATOM 1146 C VAL A 76 -5.200 -5.578 -3.586 1.00 0.00 C ATOM 1147 O VAL A 76 -4.370 -5.267 -4.439 1.00 0.00 O ATOM 1148 CB VAL A 76 -5.023 -3.755 -1.810 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.466 -3.250 -1.853 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.370 -3.437 -0.463 1.00 0.00 C ATOM 0 H VAL A 76 -2.938 -5.723 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.756 -5.722 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.463 -3.232 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.484 -2.182 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.884 -3.426 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.060 -3.782 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.431 -2.365 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.889 -3.976 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.324 -3.743 -0.485 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.342 -6.200 -3.841 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.705 -6.570 -5.198 1.00 0.00 C ATOM 1162 C LEU A 77 -7.094 -5.313 -5.979 1.00 0.00 C ATOM 1163 O LEU A 77 -7.725 -4.409 -5.433 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.791 -7.648 -5.187 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.674 -8.729 -6.264 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -9.024 -9.408 -6.507 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -7.079 -8.158 -7.552 1.00 0.00 C ATOM 0 H LEU A 77 -7.028 -6.457 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.853 -7.014 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.784 -8.133 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.760 -7.161 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.987 -9.496 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.914 -10.172 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.370 -9.871 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.751 -8.665 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.007 -8.947 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.720 -7.360 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.085 -7.759 -7.348 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.700 -5.295 -7.244 1.00 0.00 N ATOM 1180 CA ARG A 78 -7.000 -4.164 -8.105 1.00 0.00 C ATOM 1181 C ARG A 78 -8.510 -3.926 -8.163 1.00 0.00 C ATOM 1182 O ARG A 78 -8.958 -2.839 -8.527 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.473 -4.396 -9.523 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.289 -5.471 -10.242 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.655 -5.025 -11.660 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.126 -4.947 -11.802 1.00 0.00 N ATOM 1187 CZ ARG A 78 -9.859 -3.857 -11.493 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -9.263 -2.741 -11.020 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.168 -3.898 -11.659 1.00 0.00 N ATOM 0 H ARG A 78 -6.176 -6.046 -7.693 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.507 -3.288 -7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.515 -3.464 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.426 -4.696 -9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.718 -6.398 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.197 -5.682 -9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.209 -4.053 -11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.248 -5.727 -12.387 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.616 -5.769 -12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.251 -2.718 -10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.825 -1.922 -10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.611 -4.745 -12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.737 -3.083 -11.430 1.00 0.00 H new ATOM 1203 N SER A 79 -9.254 -4.959 -7.798 1.00 0.00 N ATOM 1204 CA SER A 79 -10.705 -4.876 -7.803 1.00 0.00 C ATOM 1205 C SER A 79 -11.158 -3.581 -7.127 1.00 0.00 C ATOM 1206 O SER A 79 -11.847 -2.765 -7.738 1.00 0.00 O ATOM 1207 CB SER A 79 -11.329 -6.086 -7.104 1.00 0.00 C ATOM 1208 OG SER A 79 -12.728 -5.918 -6.894 1.00 0.00 O ATOM 0 H SER A 79 -8.879 -5.859 -7.497 1.00 0.00 H new ATOM 0 HA SER A 79 -11.043 -4.875 -8.839 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.157 -6.980 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.835 -6.246 -6.146 1.00 0.00 H new ATOM 0 HG SER A 79 -13.089 -6.712 -6.447 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.751 -3.431 -5.875 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.106 -2.249 -5.109 1.00 0.00 C ATOM 1216 C TYR A 80 -9.860 -1.445 -4.732 1.00 0.00 C ATOM 1217 O TYR A 80 -9.327 -1.598 -3.635 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.775 -2.759 -3.831 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.102 -3.993 -3.227 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.048 -3.844 -2.348 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.549 -5.256 -3.560 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.415 -5.005 -1.780 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.916 -6.417 -2.991 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.880 -6.235 -2.129 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.282 -7.332 -1.592 1.00 0.00 O ATOM 0 H TYR A 80 -10.178 -4.109 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.758 -1.597 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.777 -1.960 -3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.817 -2.995 -4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.698 -2.856 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.374 -5.373 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.589 -4.902 -1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.256 -7.411 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 80 -9.023 -7.143 -0.666 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.433 -0.605 -5.664 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.260 0.223 -5.443 1.00 0.00 C ATOM 1237 C LEU A 81 -8.247 1.364 -6.463 1.00 0.00 C ATOM 1238 O LEU A 81 -9.111 1.430 -7.336 1.00 0.00 O ATOM 1239 CB LEU A 81 -6.990 -0.631 -5.460 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.038 -0.440 -4.278 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.085 -1.629 -4.144 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.287 0.888 -4.388 1.00 0.00 C ATOM 0 H LEU A 81 -9.878 -0.480 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.297 0.679 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.282 -1.680 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.444 -0.417 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.631 -0.399 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.419 -1.468 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.661 -2.541 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.495 -1.727 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.617 0.999 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.706 0.902 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.002 1.711 -4.397 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.258 2.233 -6.318 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.122 3.368 -7.216 1.00 0.00 C ATOM 1256 C ALA A 82 -6.251 2.967 -8.408 1.00 0.00 C ATOM 1257 O ALA A 82 -5.699 1.869 -8.437 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.547 4.560 -6.448 1.00 0.00 C ATOM 0 H ALA A 82 -6.543 2.175 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.095 3.669 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.445 5.411 -7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.217 4.823 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.569 4.296 -6.046 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.155 3.881 -9.363 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.360 3.637 -10.555 1.00 0.00 C ATOM 1266 C ASP A 83 -3.930 3.279 -10.145 1.00 0.00 C ATOM 1267 O ASP A 83 -3.566 3.402 -8.976 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.300 4.882 -11.441 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.630 5.618 -11.613 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.509 5.051 -12.298 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -6.738 6.732 -11.057 1.00 0.00 O ATOM 0 H ASP A 83 -6.614 4.791 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.825 2.822 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.571 5.574 -11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.933 4.592 -12.425 1.00 0.00 H new TER 1276 ASP A 83