USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 541 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 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 21 ASN : amide:sc= 0 X(o=-0.022,f=-0.022) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0927 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00422 K(o=-0.0042,f=-0.85) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc=-0.00588 X(o=-0.0059,f=-0.0059) USER MOD Single : A 26 HIS : no HD1:sc= 0.348 K(o=0.35,f=-6.4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 97:sc= 0.485 USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.08) USER MOD Single : A 58 ASN : amide:sc= 1.22 K(o=1.2,f=-0.042) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 65 LYS NZ :NH3+ 168:sc=-0.00554 (180deg=-0.143) USER MOD Single : A 66 SER OG : rot 170:sc= 0.728 USER MOD Single : A 71 MET CE :methyl 152:sc= -0.277 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.824 19.512 1.707 1.00 31.20 N ATOM 2 CA GLY A 1 -6.716 18.613 0.944 1.00 10.23 C ATOM 3 C GLY A 1 -6.122 18.241 -0.394 1.00 51.44 C ATOM 4 O GLY A 1 -5.018 18.677 -0.733 1.00 41.30 O ATOM 0 H1 GLY A 1 -5.713 19.151 2.676 1.00 31.20 H new ATOM 0 H2 GLY A 1 -4.894 19.552 1.244 1.00 31.20 H new ATOM 0 H3 GLY A 1 -6.237 20.466 1.738 1.00 31.20 H new ATOM 0 HA2 GLY A 1 -6.903 17.709 1.523 1.00 10.23 H new ATOM 0 HA3 GLY A 1 -7.680 19.099 0.792 1.00 10.23 H new ATOM 10 N SER A 2 -6.849 17.446 -1.160 1.00 44.31 N ATOM 11 CA SER A 2 -6.382 16.997 -2.457 1.00 51.41 C ATOM 12 C SER A 2 -6.482 18.121 -3.484 1.00 3.41 C ATOM 13 O SER A 2 -7.576 18.582 -3.808 1.00 33.54 O ATOM 14 CB SER A 2 -7.203 15.791 -2.911 1.00 75.52 C ATOM 15 OG SER A 2 -7.205 14.781 -1.914 1.00 2.30 O ATOM 0 H SER A 2 -7.772 17.097 -0.902 1.00 44.31 H new ATOM 0 HA SER A 2 -5.335 16.706 -2.371 1.00 51.41 H new ATOM 0 HB2 SER A 2 -8.226 16.101 -3.124 1.00 75.52 H new ATOM 0 HB3 SER A 2 -6.791 15.393 -3.838 1.00 75.52 H new ATOM 0 HG SER A 2 -7.737 14.018 -2.222 1.00 2.30 H new ATOM 21 N HIS A 3 -5.337 18.574 -3.976 1.00 30.40 N ATOM 22 CA HIS A 3 -5.309 19.595 -5.015 1.00 72.41 C ATOM 23 C HIS A 3 -5.772 18.988 -6.331 1.00 50.22 C ATOM 24 O HIS A 3 -5.323 17.905 -6.711 1.00 32.52 O ATOM 25 CB HIS A 3 -3.902 20.176 -5.187 1.00 44.24 C ATOM 26 CG HIS A 3 -3.320 20.779 -3.944 1.00 22.24 C ATOM 27 ND1 HIS A 3 -1.989 20.654 -3.612 1.00 21.41 N ATOM 28 CD2 HIS A 3 -3.881 21.523 -2.960 1.00 61.01 C ATOM 29 CE1 HIS A 3 -1.753 21.293 -2.483 1.00 61.52 C ATOM 30 NE2 HIS A 3 -2.883 21.829 -2.065 1.00 75.34 N ATOM 0 H HIS A 3 -4.418 18.252 -3.674 1.00 30.40 H new ATOM 0 HA HIS A 3 -5.977 20.404 -4.718 1.00 72.41 H new ATOM 0 HB2 HIS A 3 -3.237 19.386 -5.538 1.00 44.24 H new ATOM 0 HB3 HIS A 3 -3.930 20.938 -5.966 1.00 44.24 H new ATOM 0 HD2 HIS A 3 -4.917 21.820 -2.892 1.00 61.01 H new ATOM 0 HE1 HIS A 3 -0.797 21.365 -1.985 1.00 61.52 H new ATOM 0 HE2 HIS A 3 -2.998 22.381 -1.215 1.00 75.34 H new ATOM 39 N MET A 4 -6.667 19.673 -7.019 1.00 3.32 N ATOM 40 CA MET A 4 -7.206 19.164 -8.266 1.00 2.41 C ATOM 41 C MET A 4 -7.000 20.162 -9.394 1.00 55.24 C ATOM 42 O MET A 4 -7.026 21.375 -9.186 1.00 31.15 O ATOM 43 CB MET A 4 -8.694 18.838 -8.118 1.00 71.04 C ATOM 44 CG MET A 4 -9.582 20.061 -7.932 1.00 71.13 C ATOM 45 SD MET A 4 -11.335 19.643 -7.854 1.00 63.41 S ATOM 46 CE MET A 4 -12.069 21.275 -7.842 1.00 35.41 C ATOM 0 H MET A 4 -7.035 20.581 -6.736 1.00 3.32 H new ATOM 0 HA MET A 4 -6.670 18.248 -8.513 1.00 2.41 H new ATOM 0 HB2 MET A 4 -9.025 18.293 -9.002 1.00 71.04 H new ATOM 0 HB3 MET A 4 -8.826 18.173 -7.265 1.00 71.04 H new ATOM 0 HG2 MET A 4 -9.295 20.578 -7.016 1.00 71.13 H new ATOM 0 HG3 MET A 4 -9.414 20.755 -8.755 1.00 71.13 H new ATOM 0 HE1 MET A 4 -13.154 21.185 -7.796 1.00 35.41 H new ATOM 0 HE2 MET A 4 -11.713 21.828 -6.973 1.00 35.41 H new ATOM 0 HE3 MET A 4 -11.787 21.807 -8.751 1.00 35.41 H new ATOM 56 N SER A 5 -6.759 19.640 -10.581 1.00 72.44 N ATOM 57 CA SER A 5 -6.660 20.449 -11.778 1.00 62.14 C ATOM 58 C SER A 5 -7.196 19.653 -12.958 1.00 41.42 C ATOM 59 O SER A 5 -6.437 19.030 -13.700 1.00 73.33 O ATOM 60 CB SER A 5 -5.209 20.881 -12.024 1.00 23.11 C ATOM 61 OG SER A 5 -4.698 21.600 -10.909 1.00 55.22 O ATOM 0 H SER A 5 -6.626 18.642 -10.742 1.00 72.44 H new ATOM 0 HA SER A 5 -7.254 21.354 -11.654 1.00 62.14 H new ATOM 0 HB2 SER A 5 -4.590 20.003 -12.210 1.00 23.11 H new ATOM 0 HB3 SER A 5 -5.157 21.503 -12.918 1.00 23.11 H new ATOM 0 HG SER A 5 -3.771 21.864 -11.087 1.00 55.22 H new ATOM 67 N THR A 6 -8.514 19.634 -13.093 1.00 40.04 N ATOM 68 CA THR A 6 -9.161 18.851 -14.129 1.00 24.21 C ATOM 69 C THR A 6 -9.019 19.544 -15.479 1.00 14.44 C ATOM 70 O THR A 6 -9.742 20.495 -15.780 1.00 35.34 O ATOM 71 CB THR A 6 -10.655 18.640 -13.812 1.00 73.13 C ATOM 72 OG1 THR A 6 -10.821 18.368 -12.411 1.00 12.14 O ATOM 73 CG2 THR A 6 -11.223 17.486 -14.627 1.00 54.50 C ATOM 0 H THR A 6 -9.156 20.154 -12.495 1.00 40.04 H new ATOM 0 HA THR A 6 -8.673 17.877 -14.168 1.00 24.21 H new ATOM 0 HB THR A 6 -11.194 19.550 -14.075 1.00 73.13 H new ATOM 0 HG1 THR A 6 -11.772 18.236 -12.214 1.00 12.14 H new ATOM 0 HG21 THR A 6 -12.278 17.356 -14.387 1.00 54.50 H new ATOM 0 HG22 THR A 6 -11.117 17.704 -15.690 1.00 54.50 H new ATOM 0 HG23 THR A 6 -10.681 16.571 -14.389 1.00 54.50 H new ATOM 81 N ASN A 7 -8.070 19.080 -16.276 1.00 21.12 N ATOM 82 CA ASN A 7 -7.804 19.677 -17.573 1.00 5.45 C ATOM 83 C ASN A 7 -8.205 18.736 -18.698 1.00 71.11 C ATOM 84 O ASN A 7 -7.476 17.796 -19.025 1.00 71.44 O ATOM 85 CB ASN A 7 -6.322 20.039 -17.713 1.00 2.25 C ATOM 86 CG ASN A 7 -5.910 21.219 -16.850 1.00 64.14 C ATOM 87 OD1 ASN A 7 -6.703 22.121 -16.581 1.00 33.10 O ATOM 88 ND2 ASN A 7 -4.659 21.224 -16.411 1.00 14.13 N ATOM 0 H ASN A 7 -7.469 18.289 -16.045 1.00 21.12 H new ATOM 0 HA ASN A 7 -8.401 20.587 -17.644 1.00 5.45 H new ATOM 0 HB2 ASN A 7 -5.716 19.173 -17.446 1.00 2.25 H new ATOM 0 HB3 ASN A 7 -6.108 20.268 -18.757 1.00 2.25 H new ATOM 0 HD21 ASN A 7 -4.326 21.993 -15.830 1.00 14.13 H new ATOM 0 HD22 ASN A 7 -4.030 20.459 -16.654 1.00 14.13 H new ATOM 95 N PRO A 8 -9.384 18.962 -19.295 1.00 32.14 N ATOM 96 CA PRO A 8 -9.836 18.212 -20.465 1.00 3.51 C ATOM 97 C PRO A 8 -9.164 18.723 -21.732 1.00 72.03 C ATOM 98 O PRO A 8 -9.352 18.182 -22.822 1.00 13.12 O ATOM 99 CB PRO A 8 -11.349 18.476 -20.511 1.00 60.32 C ATOM 100 CG PRO A 8 -11.670 19.286 -19.292 1.00 2.35 C ATOM 101 CD PRO A 8 -10.388 19.939 -18.866 1.00 35.24 C ATOM 0 HA PRO A 8 -9.593 17.151 -20.401 1.00 3.51 H new ATOM 0 HB2 PRO A 8 -11.623 19.014 -21.419 1.00 60.32 H new ATOM 0 HB3 PRO A 8 -11.907 17.540 -20.514 1.00 60.32 H new ATOM 0 HG2 PRO A 8 -12.432 20.034 -19.512 1.00 2.35 H new ATOM 0 HG3 PRO A 8 -12.065 18.652 -18.498 1.00 2.35 H new ATOM 0 HD2 PRO A 8 -10.245 20.907 -19.346 1.00 35.24 H new ATOM 0 HD3 PRO A 8 -10.356 20.109 -17.790 1.00 35.24 H new ATOM 109 N PHE A 9 -8.384 19.778 -21.566 1.00 64.42 N ATOM 110 CA PHE A 9 -7.643 20.385 -22.654 1.00 65.22 C ATOM 111 C PHE A 9 -6.207 20.634 -22.210 1.00 52.40 C ATOM 112 O PHE A 9 -5.931 20.692 -21.010 1.00 1.13 O ATOM 113 CB PHE A 9 -8.298 21.705 -23.079 1.00 74.45 C ATOM 114 CG PHE A 9 -8.371 22.735 -21.980 1.00 53.32 C ATOM 115 CD1 PHE A 9 -9.449 22.766 -21.108 1.00 55.12 C ATOM 116 CD2 PHE A 9 -7.359 23.668 -21.816 1.00 14.23 C ATOM 117 CE1 PHE A 9 -9.514 23.707 -20.097 1.00 3.35 C ATOM 118 CE2 PHE A 9 -7.418 24.609 -20.807 1.00 51.32 C ATOM 119 CZ PHE A 9 -8.497 24.629 -19.946 1.00 24.54 C ATOM 0 H PHE A 9 -8.248 20.239 -20.666 1.00 64.42 H new ATOM 0 HA PHE A 9 -7.648 19.709 -23.509 1.00 65.22 H new ATOM 0 HB2 PHE A 9 -7.740 22.122 -23.917 1.00 74.45 H new ATOM 0 HB3 PHE A 9 -9.306 21.499 -23.438 1.00 74.45 H new ATOM 0 HD1 PHE A 9 -10.247 22.047 -21.220 1.00 55.12 H new ATOM 0 HD2 PHE A 9 -6.513 23.659 -22.487 1.00 14.23 H new ATOM 0 HE1 PHE A 9 -10.360 23.721 -19.426 1.00 3.35 H new ATOM 0 HE2 PHE A 9 -6.621 25.329 -20.692 1.00 51.32 H new ATOM 0 HZ PHE A 9 -8.546 25.364 -19.156 1.00 24.54 H new ATOM 129 N ASP A 10 -5.301 20.772 -23.162 1.00 53.22 N ATOM 130 CA ASP A 10 -3.913 21.070 -22.843 1.00 14.33 C ATOM 131 C ASP A 10 -3.639 22.554 -23.045 1.00 73.42 C ATOM 132 O ASP A 10 -4.129 23.164 -23.997 1.00 2.11 O ATOM 133 CB ASP A 10 -2.960 20.222 -23.696 1.00 13.04 C ATOM 134 CG ASP A 10 -3.065 20.514 -25.177 1.00 73.13 C ATOM 135 OD1 ASP A 10 -4.017 20.022 -25.821 1.00 23.45 O ATOM 136 OD2 ASP A 10 -2.191 21.227 -25.710 1.00 30.21 O ATOM 0 H ASP A 10 -5.499 20.683 -24.159 1.00 53.22 H new ATOM 0 HA ASP A 10 -3.737 20.820 -21.797 1.00 14.33 H new ATOM 0 HB2 ASP A 10 -1.935 20.399 -23.369 1.00 13.04 H new ATOM 0 HB3 ASP A 10 -3.171 19.166 -23.525 1.00 13.04 H new ATOM 141 N ASP A 11 -2.877 23.139 -22.131 1.00 31.23 N ATOM 142 CA ASP A 11 -2.566 24.563 -22.188 1.00 35.51 C ATOM 143 C ASP A 11 -1.077 24.750 -22.483 1.00 71.44 C ATOM 144 O ASP A 11 -0.422 23.824 -22.972 1.00 54.05 O ATOM 145 CB ASP A 11 -2.952 25.234 -20.862 1.00 61.34 C ATOM 146 CG ASP A 11 -3.157 26.734 -20.991 1.00 53.53 C ATOM 147 OD1 ASP A 11 -4.259 27.151 -21.405 1.00 42.35 O ATOM 148 OD2 ASP A 11 -2.220 27.502 -20.682 1.00 3.52 O ATOM 0 H ASP A 11 -2.461 22.649 -21.339 1.00 31.23 H new ATOM 0 HA ASP A 11 -3.139 25.033 -22.987 1.00 35.51 H new ATOM 0 HB2 ASP A 11 -3.868 24.779 -20.485 1.00 61.34 H new ATOM 0 HB3 ASP A 11 -2.173 25.042 -20.124 1.00 61.34 H new ATOM 153 N ASP A 12 -0.544 25.929 -22.200 1.00 65.11 N ATOM 154 CA ASP A 12 0.863 26.211 -22.457 1.00 24.13 C ATOM 155 C ASP A 12 1.704 25.844 -21.241 1.00 30.20 C ATOM 156 O ASP A 12 1.226 25.893 -20.107 1.00 73.51 O ATOM 157 CB ASP A 12 1.063 27.686 -22.816 1.00 60.44 C ATOM 158 CG ASP A 12 2.463 27.978 -23.318 1.00 73.13 C ATOM 159 OD1 ASP A 12 2.920 27.276 -24.249 1.00 41.33 O ATOM 160 OD2 ASP A 12 3.112 28.908 -22.792 1.00 30.44 O ATOM 0 H ASP A 12 -1.063 26.707 -21.792 1.00 65.11 H new ATOM 0 HA ASP A 12 1.186 25.606 -23.304 1.00 24.13 H new ATOM 0 HB2 ASP A 12 0.340 27.972 -23.580 1.00 60.44 H new ATOM 0 HB3 ASP A 12 0.860 28.301 -21.939 1.00 60.44 H new ATOM 165 N ASN A 13 2.955 25.480 -21.482 1.00 24.34 N ATOM 166 CA ASN A 13 3.833 25.005 -20.422 1.00 3.22 C ATOM 167 C ASN A 13 4.587 26.166 -19.790 1.00 11.43 C ATOM 168 O ASN A 13 4.960 27.118 -20.473 1.00 23.33 O ATOM 169 CB ASN A 13 4.820 23.976 -20.975 1.00 25.12 C ATOM 170 CG ASN A 13 4.124 22.739 -21.513 1.00 32.43 C ATOM 171 OD1 ASN A 13 3.697 22.702 -22.669 1.00 55.12 O ATOM 172 ND2 ASN A 13 4.014 21.712 -20.684 1.00 12.21 N ATOM 0 H ASN A 13 3.386 25.505 -22.406 1.00 24.34 H new ATOM 0 HA ASN A 13 3.221 24.531 -19.655 1.00 3.22 H new ATOM 0 HB2 ASN A 13 5.410 24.433 -21.770 1.00 25.12 H new ATOM 0 HB3 ASN A 13 5.516 23.685 -20.189 1.00 25.12 H new ATOM 0 HD21 ASN A 13 3.563 20.852 -20.995 1.00 12.21 H new ATOM 0 HD22 ASN A 13 4.380 21.782 -19.735 1.00 12.21 H new ATOM 179 N GLY A 14 4.800 26.085 -18.483 1.00 51.13 N ATOM 180 CA GLY A 14 5.508 27.135 -17.778 1.00 21.14 C ATOM 181 C GLY A 14 7.012 27.005 -17.911 1.00 35.24 C ATOM 182 O GLY A 14 7.505 26.045 -18.504 1.00 24.13 O ATOM 0 H GLY A 14 4.494 25.308 -17.897 1.00 51.13 H new ATOM 0 HA2 GLY A 14 5.194 28.105 -18.164 1.00 21.14 H new ATOM 0 HA3 GLY A 14 5.235 27.109 -16.723 1.00 21.14 H new ATOM 186 N ALA A 15 7.740 27.960 -17.342 1.00 10.03 N ATOM 187 CA ALA A 15 9.194 27.969 -17.428 1.00 40.42 C ATOM 188 C ALA A 15 9.794 26.764 -16.713 1.00 10.11 C ATOM 189 O ALA A 15 9.252 26.288 -15.714 1.00 53.33 O ATOM 190 CB ALA A 15 9.754 29.262 -16.850 1.00 42.14 C ATOM 0 H ALA A 15 7.345 28.739 -16.815 1.00 10.03 H new ATOM 0 HA ALA A 15 9.469 27.908 -18.481 1.00 40.42 H new ATOM 0 HB1 ALA A 15 10.842 29.252 -16.922 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.361 30.111 -17.410 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.461 29.350 -15.804 1.00 42.14 H new ATOM 196 N PHE A 16 10.910 26.285 -17.233 1.00 2.14 N ATOM 197 CA PHE A 16 11.579 25.106 -16.708 1.00 60.34 C ATOM 198 C PHE A 16 13.046 25.418 -16.443 1.00 23.33 C ATOM 199 O PHE A 16 13.656 26.211 -17.157 1.00 2.33 O ATOM 200 CB PHE A 16 11.437 23.944 -17.705 1.00 41.43 C ATOM 201 CG PHE A 16 11.397 24.400 -19.139 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.462 25.089 -19.684 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.283 24.161 -19.930 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.422 25.534 -20.986 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.240 24.600 -21.237 1.00 23.23 C ATOM 206 CZ PHE A 16 11.309 25.291 -21.765 1.00 4.31 C ATOM 0 H PHE A 16 11.381 26.704 -18.035 1.00 2.14 H new ATOM 0 HA PHE A 16 11.116 24.813 -15.766 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.271 23.255 -17.572 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.526 23.389 -17.480 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.337 25.281 -19.081 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.440 23.626 -19.518 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.262 26.074 -21.398 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.370 24.402 -21.846 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.276 25.642 -22.786 1.00 4.31 H new ATOM 216 N PHE A 17 13.600 24.812 -15.404 1.00 3.34 N ATOM 217 CA PHE A 17 14.991 25.044 -15.032 1.00 51.42 C ATOM 218 C PHE A 17 15.794 23.752 -15.106 1.00 72.30 C ATOM 219 O PHE A 17 15.231 22.654 -15.037 1.00 3.33 O ATOM 220 CB PHE A 17 15.085 25.607 -13.606 1.00 31.34 C ATOM 221 CG PHE A 17 14.886 27.095 -13.483 1.00 30.40 C ATOM 222 CD1 PHE A 17 13.950 27.766 -14.254 1.00 64.43 C ATOM 223 CD2 PHE A 17 15.649 27.825 -12.583 1.00 72.20 C ATOM 224 CE1 PHE A 17 13.780 29.134 -14.130 1.00 12.45 C ATOM 225 CE2 PHE A 17 15.484 29.190 -12.457 1.00 73.11 C ATOM 226 CZ PHE A 17 14.548 29.846 -13.229 1.00 52.41 C ATOM 0 H PHE A 17 13.107 24.153 -14.801 1.00 3.34 H new ATOM 0 HA PHE A 17 15.403 25.767 -15.736 1.00 51.42 H new ATOM 0 HB2 PHE A 17 14.341 25.106 -12.986 1.00 31.34 H new ATOM 0 HB3 PHE A 17 16.063 25.354 -13.198 1.00 31.34 H new ATOM 0 HD1 PHE A 17 13.346 27.215 -14.960 1.00 64.43 H new ATOM 0 HD2 PHE A 17 16.382 27.319 -11.973 1.00 72.20 H new ATOM 0 HE1 PHE A 17 13.047 29.645 -14.737 1.00 12.45 H new ATOM 0 HE2 PHE A 17 16.088 29.744 -11.754 1.00 73.11 H new ATOM 0 HZ PHE A 17 14.416 30.913 -13.129 1.00 52.41 H new ATOM 236 N VAL A 18 17.108 23.890 -15.226 1.00 4.01 N ATOM 237 CA VAL A 18 18.005 22.743 -15.188 1.00 72.22 C ATOM 238 C VAL A 18 18.315 22.398 -13.736 1.00 33.02 C ATOM 239 O VAL A 18 19.154 23.047 -13.093 1.00 72.11 O ATOM 240 CB VAL A 18 19.326 23.022 -15.945 1.00 32.12 C ATOM 241 CG1 VAL A 18 20.224 21.794 -15.940 1.00 55.43 C ATOM 242 CG2 VAL A 18 19.044 23.469 -17.368 1.00 12.33 C ATOM 0 H VAL A 18 17.577 24.787 -15.351 1.00 4.01 H new ATOM 0 HA VAL A 18 17.508 21.907 -15.681 1.00 72.22 H new ATOM 0 HB VAL A 18 19.848 23.827 -15.428 1.00 32.12 H new ATOM 0 HG11 VAL A 18 21.146 22.015 -16.478 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.461 21.520 -14.912 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.710 20.965 -16.427 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.986 23.660 -17.883 1.00 12.33 H new ATOM 0 HG22 VAL A 18 18.495 22.687 -17.893 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.448 24.382 -17.351 1.00 12.33 H new ATOM 252 N LEU A 19 17.633 21.388 -13.213 1.00 51.11 N ATOM 253 CA LEU A 19 17.701 21.090 -11.796 1.00 23.23 C ATOM 254 C LEU A 19 18.424 19.773 -11.565 1.00 33.24 C ATOM 255 O LEU A 19 18.094 18.761 -12.169 1.00 54.22 O ATOM 256 CB LEU A 19 16.286 21.019 -11.215 1.00 53.14 C ATOM 257 CG LEU A 19 16.196 21.158 -9.693 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.498 22.589 -9.278 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.826 20.733 -9.182 1.00 25.42 C ATOM 0 H LEU A 19 17.029 20.765 -13.750 1.00 51.11 H new ATOM 0 HA LEU A 19 18.257 21.883 -11.296 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.684 21.805 -11.671 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.840 20.067 -11.503 1.00 53.14 H new ATOM 0 HG LEU A 19 16.939 20.497 -9.247 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.431 22.675 -8.193 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.504 22.857 -9.602 1.00 73.41 H new ATOM 0 HD13 LEU A 19 15.776 23.262 -9.741 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.792 20.843 -8.098 1.00 25.42 H new ATOM 0 HD22 LEU A 19 14.058 21.361 -9.634 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.646 19.691 -9.447 1.00 25.42 H new ATOM 271 N VAL A 20 19.417 19.786 -10.701 1.00 54.31 N ATOM 272 CA VAL A 20 20.093 18.560 -10.321 1.00 1.04 C ATOM 273 C VAL A 20 19.987 18.374 -8.819 1.00 52.45 C ATOM 274 O VAL A 20 20.248 19.298 -8.057 1.00 22.12 O ATOM 275 CB VAL A 20 21.580 18.567 -10.748 1.00 31.22 C ATOM 276 CG1 VAL A 20 22.287 17.305 -10.274 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.698 18.708 -12.259 1.00 44.44 C ATOM 0 H VAL A 20 19.774 20.628 -10.249 1.00 54.31 H new ATOM 0 HA VAL A 20 19.608 17.731 -10.836 1.00 1.04 H new ATOM 0 HB VAL A 20 22.065 19.424 -10.279 1.00 31.22 H new ATOM 0 HG11 VAL A 20 23.331 17.334 -10.586 1.00 65.21 H new ATOM 0 HG12 VAL A 20 22.235 17.245 -9.187 1.00 65.21 H new ATOM 0 HG13 VAL A 20 21.802 16.431 -10.709 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.750 18.711 -12.543 1.00 44.44 H new ATOM 0 HG22 VAL A 20 21.194 17.871 -12.743 1.00 44.44 H new ATOM 0 HG23 VAL A 20 21.234 19.643 -12.575 1.00 44.44 H new ATOM 287 N ASN A 21 19.576 17.197 -8.395 1.00 13.51 N ATOM 288 CA ASN A 21 19.478 16.906 -6.977 1.00 61.42 C ATOM 289 C ASN A 21 20.800 16.342 -6.493 1.00 15.32 C ATOM 290 O ASN A 21 21.550 15.761 -7.274 1.00 60.15 O ATOM 291 CB ASN A 21 18.339 15.922 -6.696 1.00 40.23 C ATOM 292 CG ASN A 21 16.967 16.522 -6.952 1.00 14.14 C ATOM 293 OD1 ASN A 21 16.369 17.132 -6.067 1.00 1.33 O ATOM 294 ND2 ASN A 21 16.449 16.342 -8.159 1.00 30.15 N ATOM 0 H ASN A 21 19.305 16.428 -9.008 1.00 13.51 H new ATOM 0 HA ASN A 21 19.257 17.828 -6.439 1.00 61.42 H new ATOM 0 HB2 ASN A 21 18.466 15.038 -7.321 1.00 40.23 H new ATOM 0 HB3 ASN A 21 18.398 15.591 -5.659 1.00 40.23 H new ATOM 0 HD21 ASN A 21 15.525 16.715 -8.378 1.00 30.15 H new ATOM 0 HD22 ASN A 21 16.974 15.831 -8.868 1.00 30.15 H new ATOM 301 N ASP A 22 21.087 16.517 -5.213 1.00 31.34 N ATOM 302 CA ASP A 22 22.359 16.071 -4.651 1.00 71.21 C ATOM 303 C ASP A 22 22.496 14.554 -4.763 1.00 5.13 C ATOM 304 O ASP A 22 23.605 14.022 -4.827 1.00 75.41 O ATOM 305 CB ASP A 22 22.477 16.514 -3.191 1.00 63.32 C ATOM 306 CG ASP A 22 23.838 16.213 -2.594 1.00 13.22 C ATOM 307 OD1 ASP A 22 24.848 16.735 -3.110 1.00 4.44 O ATOM 308 OD2 ASP A 22 23.903 15.466 -1.598 1.00 22.11 O ATOM 0 H ASP A 22 20.461 16.963 -4.543 1.00 31.34 H new ATOM 0 HA ASP A 22 23.168 16.529 -5.221 1.00 71.21 H new ATOM 0 HB2 ASP A 22 22.285 17.585 -3.124 1.00 63.32 H new ATOM 0 HB3 ASP A 22 21.708 16.015 -2.601 1.00 63.32 H new ATOM 313 N GLU A 23 21.358 13.871 -4.812 1.00 75.54 N ATOM 314 CA GLU A 23 21.327 12.419 -4.924 1.00 32.45 C ATOM 315 C GLU A 23 20.729 11.973 -6.261 1.00 53.52 C ATOM 316 O GLU A 23 20.194 10.871 -6.367 1.00 4.33 O ATOM 317 CB GLU A 23 20.511 11.830 -3.773 1.00 55.34 C ATOM 318 CG GLU A 23 21.144 12.031 -2.406 1.00 3.05 C ATOM 319 CD GLU A 23 22.441 11.262 -2.255 1.00 72.14 C ATOM 320 OE1 GLU A 23 22.394 10.017 -2.226 1.00 41.22 O ATOM 321 OE2 GLU A 23 23.514 11.896 -2.178 1.00 42.25 O ATOM 0 H GLU A 23 20.436 14.306 -4.775 1.00 75.54 H new ATOM 0 HA GLU A 23 22.353 12.055 -4.875 1.00 32.45 H new ATOM 0 HB2 GLU A 23 19.520 12.283 -3.774 1.00 55.34 H new ATOM 0 HB3 GLU A 23 20.374 10.763 -3.946 1.00 55.34 H new ATOM 0 HG2 GLU A 23 21.333 13.093 -2.248 1.00 3.05 H new ATOM 0 HG3 GLU A 23 20.444 11.714 -1.633 1.00 3.05 H new ATOM 328 N ASP A 24 20.821 12.825 -7.276 1.00 13.53 N ATOM 329 CA ASP A 24 20.271 12.504 -8.593 1.00 20.35 C ATOM 330 C ASP A 24 21.250 12.919 -9.687 1.00 53.33 C ATOM 331 O ASP A 24 22.142 13.733 -9.448 1.00 63.23 O ATOM 332 CB ASP A 24 18.918 13.202 -8.800 1.00 43.45 C ATOM 333 CG ASP A 24 18.157 12.667 -10.001 1.00 72.21 C ATOM 334 OD1 ASP A 24 17.387 11.702 -9.832 1.00 52.14 O ATOM 335 OD2 ASP A 24 18.329 13.197 -11.117 1.00 61.12 O ATOM 0 H ASP A 24 21.268 13.740 -7.216 1.00 13.53 H new ATOM 0 HA ASP A 24 20.115 11.427 -8.648 1.00 20.35 H new ATOM 0 HB2 ASP A 24 18.309 13.077 -7.905 1.00 43.45 H new ATOM 0 HB3 ASP A 24 19.082 14.272 -8.927 1.00 43.45 H new ATOM 340 N GLN A 25 21.085 12.355 -10.877 1.00 74.12 N ATOM 341 CA GLN A 25 21.986 12.631 -11.991 1.00 5.14 C ATOM 342 C GLN A 25 21.595 13.923 -12.711 1.00 61.33 C ATOM 343 O GLN A 25 22.434 14.791 -12.942 1.00 2.43 O ATOM 344 CB GLN A 25 21.981 11.459 -12.979 1.00 50.45 C ATOM 345 CG GLN A 25 22.278 10.117 -12.327 1.00 62.10 C ATOM 346 CD GLN A 25 23.678 10.033 -11.750 1.00 4.10 C ATOM 347 OE1 GLN A 25 23.915 10.406 -10.598 1.00 73.34 O ATOM 348 NE2 GLN A 25 24.611 9.515 -12.532 1.00 42.45 N ATOM 0 H GLN A 25 20.333 11.701 -11.097 1.00 74.12 H new ATOM 0 HA GLN A 25 22.991 12.756 -11.588 1.00 5.14 H new ATOM 0 HB2 GLN A 25 21.008 11.410 -13.468 1.00 50.45 H new ATOM 0 HB3 GLN A 25 22.720 11.647 -13.758 1.00 50.45 H new ATOM 0 HG2 GLN A 25 21.553 9.937 -11.533 1.00 62.10 H new ATOM 0 HG3 GLN A 25 22.147 9.325 -13.064 1.00 62.10 H new ATOM 0 HE21 GLN A 25 24.376 9.218 -13.479 1.00 42.45 H new ATOM 0 HE22 GLN A 25 25.566 9.412 -12.188 1.00 42.45 H new ATOM 357 N HIS A 26 20.318 14.043 -13.072 1.00 20.14 N ATOM 358 CA HIS A 26 19.839 15.202 -13.829 1.00 44.33 C ATOM 359 C HIS A 26 18.314 15.275 -13.819 1.00 25.54 C ATOM 360 O HIS A 26 17.644 14.247 -13.860 1.00 2.13 O ATOM 361 CB HIS A 26 20.372 15.171 -15.275 1.00 1.43 C ATOM 362 CG HIS A 26 19.974 13.966 -16.096 1.00 15.33 C ATOM 363 ND1 HIS A 26 19.321 12.859 -15.589 1.00 25.13 N ATOM 364 CD2 HIS A 26 20.148 13.714 -17.417 1.00 31.34 C ATOM 365 CE1 HIS A 26 19.116 11.986 -16.559 1.00 13.51 C ATOM 366 NE2 HIS A 26 19.607 12.483 -17.677 1.00 71.22 N ATOM 0 H HIS A 26 19.597 13.355 -12.854 1.00 20.14 H new ATOM 0 HA HIS A 26 20.222 16.099 -13.342 1.00 44.33 H new ATOM 0 HB2 HIS A 26 20.026 16.068 -15.789 1.00 1.43 H new ATOM 0 HB3 HIS A 26 21.460 15.222 -15.242 1.00 1.43 H new ATOM 0 HD2 HIS A 26 20.626 14.365 -18.134 1.00 31.34 H new ATOM 0 HE1 HIS A 26 18.629 11.028 -16.454 1.00 13.51 H new ATOM 0 HE2 HIS A 26 19.587 12.025 -18.588 1.00 71.22 H new ATOM 375 N SER A 27 17.768 16.481 -13.759 1.00 70.05 N ATOM 376 CA SER A 27 16.323 16.656 -13.772 1.00 44.25 C ATOM 377 C SER A 27 15.918 17.962 -14.464 1.00 53.24 C ATOM 378 O SER A 27 16.653 18.958 -14.448 1.00 54.43 O ATOM 379 CB SER A 27 15.775 16.637 -12.343 1.00 40.02 C ATOM 380 OG SER A 27 16.153 15.451 -11.662 1.00 42.35 O ATOM 0 H SER A 27 18.301 17.349 -13.701 1.00 70.05 H new ATOM 0 HA SER A 27 15.896 15.827 -14.337 1.00 44.25 H new ATOM 0 HB2 SER A 27 16.145 17.506 -11.798 1.00 40.02 H new ATOM 0 HB3 SER A 27 14.688 16.715 -12.367 1.00 40.02 H new ATOM 0 HG SER A 27 15.791 15.467 -10.752 1.00 42.35 H new ATOM 386 N LEU A 28 14.745 17.945 -15.075 1.00 62.10 N ATOM 387 CA LEU A 28 14.169 19.139 -15.674 1.00 50.32 C ATOM 388 C LEU A 28 12.916 19.518 -14.902 1.00 31.11 C ATOM 389 O LEU A 28 11.909 18.809 -14.949 1.00 61.20 O ATOM 390 CB LEU A 28 13.835 18.901 -17.152 1.00 53.12 C ATOM 391 CG LEU A 28 14.650 19.730 -18.152 1.00 43.24 C ATOM 392 CD1 LEU A 28 14.352 21.214 -17.989 1.00 11.32 C ATOM 393 CD2 LEU A 28 16.140 19.461 -17.983 1.00 22.11 C ATOM 0 H LEU A 28 14.168 17.109 -15.170 1.00 62.10 H new ATOM 0 HA LEU A 28 14.893 19.953 -15.625 1.00 50.32 H new ATOM 0 HB2 LEU A 28 13.984 17.845 -17.375 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.777 19.113 -17.307 1.00 53.12 H new ATOM 0 HG LEU A 28 14.360 19.432 -19.159 1.00 43.24 H new ATOM 0 HD11 LEU A 28 14.940 21.784 -18.708 1.00 11.32 H new ATOM 0 HD12 LEU A 28 13.291 21.394 -18.165 1.00 11.32 H new ATOM 0 HD13 LEU A 28 14.611 21.528 -16.978 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.701 20.058 -18.701 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.446 19.728 -16.971 1.00 22.11 H new ATOM 0 HD23 LEU A 28 16.341 18.404 -18.155 1.00 22.11 H new ATOM 405 N TRP A 29 12.979 20.623 -14.179 1.00 50.34 N ATOM 406 CA TRP A 29 11.909 20.982 -13.266 1.00 20.41 C ATOM 407 C TRP A 29 11.260 22.301 -13.666 1.00 32.24 C ATOM 408 O TRP A 29 11.933 23.328 -13.765 1.00 74.10 O ATOM 409 CB TRP A 29 12.461 21.066 -11.841 1.00 43.11 C ATOM 410 CG TRP A 29 11.416 21.301 -10.792 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.210 22.450 -10.085 1.00 23.24 C ATOM 412 CD2 TRP A 29 10.435 20.365 -10.331 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.162 22.285 -9.211 1.00 60.32 N ATOM 414 CE2 TRP A 29 9.670 21.014 -9.345 1.00 25.15 C ATOM 415 CE3 TRP A 29 10.128 19.039 -10.656 1.00 12.00 C ATOM 416 CZ2 TRP A 29 8.622 20.387 -8.682 1.00 50.34 C ATOM 417 CZ3 TRP A 29 9.085 18.417 -9.996 1.00 73.52 C ATOM 418 CH2 TRP A 29 8.342 19.091 -9.020 1.00 70.13 C ATOM 0 H TRP A 29 13.756 21.284 -14.206 1.00 50.34 H new ATOM 0 HA TRP A 29 11.140 20.211 -13.311 1.00 20.41 H new ATOM 0 HB2 TRP A 29 12.988 20.140 -11.612 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.195 21.871 -11.794 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.786 23.357 -10.196 1.00 23.24 H new ATOM 0 HE1 TRP A 29 9.809 22.993 -8.568 1.00 60.32 H new ATOM 0 HE3 TRP A 29 10.695 18.512 -11.408 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 8.049 20.904 -7.927 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 8.839 17.393 -10.238 1.00 73.52 H new ATOM 0 HH2 TRP A 29 7.532 18.578 -8.524 1.00 70.13 H new ATOM 429 N PRO A 30 9.946 22.280 -13.921 1.00 72.53 N ATOM 430 CA PRO A 30 9.185 23.488 -14.222 1.00 63.44 C ATOM 431 C PRO A 30 8.924 24.321 -12.967 1.00 0.24 C ATOM 432 O PRO A 30 8.505 23.793 -11.937 1.00 73.54 O ATOM 433 CB PRO A 30 7.875 22.945 -14.794 1.00 4.34 C ATOM 434 CG PRO A 30 7.707 21.610 -14.157 1.00 3.34 C ATOM 435 CD PRO A 30 9.096 21.070 -13.937 1.00 51.14 C ATOM 0 HA PRO A 30 9.713 24.154 -14.904 1.00 63.44 H new ATOM 0 HB2 PRO A 30 7.038 23.603 -14.560 1.00 4.34 H new ATOM 0 HB3 PRO A 30 7.922 22.862 -15.880 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.168 21.694 -13.213 1.00 3.34 H new ATOM 0 HG3 PRO A 30 7.127 20.944 -14.796 1.00 3.34 H new ATOM 0 HD2 PRO A 30 9.167 20.519 -12.999 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.390 20.385 -14.733 1.00 51.14 H new ATOM 443 N VAL A 31 9.140 25.628 -13.068 1.00 5.34 N ATOM 444 CA VAL A 31 9.015 26.521 -11.920 1.00 31.12 C ATOM 445 C VAL A 31 7.555 26.833 -11.593 1.00 22.24 C ATOM 446 O VAL A 31 7.259 27.708 -10.778 1.00 72.24 O ATOM 447 CB VAL A 31 9.788 27.839 -12.137 1.00 4.33 C ATOM 448 CG1 VAL A 31 11.277 27.563 -12.239 1.00 70.22 C ATOM 449 CG2 VAL A 31 9.293 28.567 -13.381 1.00 74.32 C ATOM 0 H VAL A 31 9.403 26.095 -13.936 1.00 5.34 H new ATOM 0 HA VAL A 31 9.453 25.991 -11.074 1.00 31.12 H new ATOM 0 HB VAL A 31 9.608 28.485 -11.278 1.00 4.33 H new ATOM 0 HG11 VAL A 31 11.811 28.501 -12.392 1.00 70.22 H new ATOM 0 HG12 VAL A 31 11.624 27.094 -11.318 1.00 70.22 H new ATOM 0 HG13 VAL A 31 11.467 26.896 -13.080 1.00 70.22 H new ATOM 0 HG21 VAL A 31 9.855 29.492 -13.509 1.00 74.32 H new ATOM 0 HG22 VAL A 31 9.435 27.932 -14.255 1.00 74.32 H new ATOM 0 HG23 VAL A 31 8.234 28.799 -13.270 1.00 74.32 H new ATOM 459 N PHE A 32 6.644 26.116 -12.233 1.00 43.21 N ATOM 460 CA PHE A 32 5.233 26.219 -11.906 1.00 54.23 C ATOM 461 C PHE A 32 4.971 25.481 -10.598 1.00 21.23 C ATOM 462 O PHE A 32 4.082 25.840 -9.827 1.00 40.43 O ATOM 463 CB PHE A 32 4.377 25.643 -13.039 1.00 43.03 C ATOM 464 CG PHE A 32 2.899 25.827 -12.834 1.00 53.00 C ATOM 465 CD1 PHE A 32 2.311 27.064 -13.036 1.00 61.21 C ATOM 466 CD2 PHE A 32 2.099 24.767 -12.435 1.00 4.02 C ATOM 467 CE1 PHE A 32 0.954 27.242 -12.846 1.00 63.22 C ATOM 468 CE2 PHE A 32 0.740 24.939 -12.243 1.00 34.13 C ATOM 469 CZ PHE A 32 0.168 26.178 -12.447 1.00 44.13 C ATOM 0 H PHE A 32 6.858 25.457 -12.982 1.00 43.21 H new ATOM 0 HA PHE A 32 4.961 27.268 -11.786 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.666 26.116 -13.977 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.591 24.579 -13.139 1.00 43.03 H new ATOM 0 HD1 PHE A 32 2.920 27.900 -13.346 1.00 61.21 H new ATOM 0 HD2 PHE A 32 2.542 23.796 -12.272 1.00 4.02 H new ATOM 0 HE1 PHE A 32 0.508 28.212 -13.009 1.00 63.22 H new ATOM 0 HE2 PHE A 32 0.128 24.105 -11.934 1.00 34.13 H new ATOM 0 HZ PHE A 32 -0.892 26.316 -12.295 1.00 44.13 H new ATOM 479 N ALA A 33 5.782 24.461 -10.349 1.00 62.53 N ATOM 480 CA ALA A 33 5.709 23.709 -9.109 1.00 73.21 C ATOM 481 C ALA A 33 6.833 24.142 -8.178 1.00 14.11 C ATOM 482 O ALA A 33 7.930 24.475 -8.630 1.00 13.22 O ATOM 483 CB ALA A 33 5.780 22.216 -9.390 1.00 74.20 C ATOM 0 H ALA A 33 6.501 24.136 -10.995 1.00 62.53 H new ATOM 0 HA ALA A 33 4.756 23.914 -8.622 1.00 73.21 H new ATOM 0 HB1 ALA A 33 5.724 21.666 -8.451 1.00 74.20 H new ATOM 0 HB2 ALA A 33 4.947 21.926 -10.030 1.00 74.20 H new ATOM 0 HB3 ALA A 33 6.720 21.984 -9.891 1.00 74.20 H new ATOM 489 N ASP A 34 6.549 24.154 -6.885 1.00 73.54 N ATOM 490 CA ASP A 34 7.507 24.620 -5.889 1.00 12.01 C ATOM 491 C ASP A 34 8.686 23.661 -5.758 1.00 25.54 C ATOM 492 O ASP A 34 8.506 22.450 -5.614 1.00 43.40 O ATOM 493 CB ASP A 34 6.819 24.796 -4.534 1.00 72.34 C ATOM 494 CG ASP A 34 5.761 25.884 -4.554 1.00 35.13 C ATOM 495 OD1 ASP A 34 4.634 25.618 -5.021 1.00 44.20 O ATOM 496 OD2 ASP A 34 6.047 27.009 -4.086 1.00 51.51 O ATOM 0 H ASP A 34 5.658 23.845 -6.497 1.00 73.54 H new ATOM 0 HA ASP A 34 7.893 25.583 -6.223 1.00 12.01 H new ATOM 0 HB2 ASP A 34 6.359 23.853 -4.239 1.00 72.34 H new ATOM 0 HB3 ASP A 34 7.568 25.036 -3.779 1.00 72.34 H new ATOM 501 N ILE A 35 9.888 24.214 -5.819 1.00 23.41 N ATOM 502 CA ILE A 35 11.110 23.431 -5.680 1.00 54.34 C ATOM 503 C ILE A 35 11.309 23.035 -4.215 1.00 65.45 C ATOM 504 O ILE A 35 11.232 23.886 -3.327 1.00 14.24 O ATOM 505 CB ILE A 35 12.336 24.233 -6.176 1.00 10.14 C ATOM 506 CG1 ILE A 35 12.055 24.847 -7.552 1.00 72.42 C ATOM 507 CG2 ILE A 35 13.567 23.341 -6.240 1.00 64.03 C ATOM 508 CD1 ILE A 35 13.187 25.703 -8.084 1.00 60.24 C ATOM 0 H ILE A 35 10.045 25.211 -5.965 1.00 23.41 H new ATOM 0 HA ILE A 35 11.015 22.533 -6.290 1.00 54.34 H new ATOM 0 HB ILE A 35 12.527 25.039 -5.467 1.00 10.14 H new ATOM 0 HG12 ILE A 35 11.854 24.045 -8.263 1.00 72.42 H new ATOM 0 HG13 ILE A 35 11.151 25.453 -7.491 1.00 72.42 H new ATOM 0 HG21 ILE A 35 14.420 23.922 -6.591 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.782 22.945 -5.247 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.383 22.516 -6.928 1.00 64.03 H new ATOM 0 HD11 ILE A 35 12.913 26.102 -9.061 1.00 60.24 H new ATOM 0 HD12 ILE A 35 13.375 26.527 -7.395 1.00 60.24 H new ATOM 0 HD13 ILE A 35 14.088 25.097 -8.179 1.00 60.24 H new ATOM 520 N PRO A 36 11.542 21.738 -3.944 1.00 20.01 N ATOM 521 CA PRO A 36 11.636 21.214 -2.574 1.00 12.02 C ATOM 522 C PRO A 36 12.983 21.502 -1.882 1.00 43.41 C ATOM 523 O PRO A 36 13.217 22.614 -1.404 1.00 52.44 O ATOM 524 CB PRO A 36 11.420 19.709 -2.774 1.00 34.45 C ATOM 525 CG PRO A 36 11.960 19.433 -4.136 1.00 42.11 C ATOM 526 CD PRO A 36 11.705 20.673 -4.953 1.00 44.21 C ATOM 0 HA PRO A 36 10.913 21.688 -1.910 1.00 12.02 H new ATOM 0 HB2 PRO A 36 11.943 19.128 -2.014 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.364 19.447 -2.705 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.026 19.208 -4.093 1.00 42.11 H new ATOM 0 HG3 PRO A 36 11.469 18.567 -4.580 1.00 42.11 H new ATOM 0 HD2 PRO A 36 12.535 20.885 -5.627 1.00 44.21 H new ATOM 0 HD3 PRO A 36 10.813 20.568 -5.570 1.00 44.21 H new ATOM 534 N ALA A 37 13.860 20.502 -1.829 1.00 32.34 N ATOM 535 CA ALA A 37 15.119 20.618 -1.105 1.00 62.32 C ATOM 536 C ALA A 37 16.191 19.742 -1.742 1.00 3.44 C ATOM 537 O ALA A 37 15.872 18.808 -2.483 1.00 34.45 O ATOM 538 CB ALA A 37 14.911 20.228 0.349 1.00 21.30 C ATOM 0 H ALA A 37 13.719 19.599 -2.282 1.00 32.34 H new ATOM 0 HA ALA A 37 15.457 21.653 -1.153 1.00 62.32 H new ATOM 0 HB1 ALA A 37 15.854 20.316 0.888 1.00 21.30 H new ATOM 0 HB2 ALA A 37 14.172 20.890 0.801 1.00 21.30 H new ATOM 0 HB3 ALA A 37 14.557 19.198 0.403 1.00 21.30 H new ATOM 544 N GLY A 38 17.452 20.044 -1.456 1.00 61.52 N ATOM 545 CA GLY A 38 18.552 19.277 -2.014 1.00 71.31 C ATOM 546 C GLY A 38 18.735 19.543 -3.494 1.00 52.02 C ATOM 547 O GLY A 38 19.187 18.673 -4.243 1.00 65.45 O ATOM 0 H GLY A 38 17.734 20.810 -0.845 1.00 61.52 H new ATOM 0 HA2 GLY A 38 19.472 19.525 -1.485 1.00 71.31 H new ATOM 0 HA3 GLY A 38 18.370 18.214 -1.856 1.00 71.31 H new ATOM 551 N TRP A 39 18.386 20.752 -3.909 1.00 1.04 N ATOM 552 CA TRP A 39 18.383 21.107 -5.318 1.00 71.10 C ATOM 553 C TRP A 39 19.577 21.976 -5.700 1.00 53.52 C ATOM 554 O TRP A 39 19.984 22.875 -4.961 1.00 43.22 O ATOM 555 CB TRP A 39 17.078 21.819 -5.686 1.00 61.05 C ATOM 556 CG TRP A 39 16.667 22.897 -4.724 1.00 75.23 C ATOM 557 CD1 TRP A 39 15.902 22.738 -3.607 1.00 40.04 C ATOM 558 CD2 TRP A 39 16.974 24.296 -4.803 1.00 15.24 C ATOM 559 NE1 TRP A 39 15.719 23.945 -2.980 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.366 24.919 -3.694 1.00 52.15 C ATOM 561 CE3 TRP A 39 17.705 25.082 -5.697 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.468 26.291 -3.462 1.00 4.21 C ATOM 563 CZ3 TRP A 39 17.803 26.441 -5.465 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.189 27.034 -4.357 1.00 62.42 C ATOM 0 H TRP A 39 18.100 21.506 -3.285 1.00 1.04 H new ATOM 0 HA TRP A 39 18.462 20.177 -5.881 1.00 71.10 H new ATOM 0 HB2 TRP A 39 17.184 22.256 -6.679 1.00 61.05 H new ATOM 0 HB3 TRP A 39 16.280 21.080 -5.747 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.498 21.797 -3.264 1.00 40.04 H new ATOM 0 HE1 TRP A 39 15.188 24.093 -2.122 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.185 24.635 -6.555 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 15.995 26.750 -2.607 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.364 27.057 -6.152 1.00 21.35 H new ATOM 0 HH2 TRP A 39 17.286 28.099 -4.205 1.00 62.42 H new ATOM 575 N ARG A 40 20.137 21.674 -6.859 1.00 15.10 N ATOM 576 CA ARG A 40 21.186 22.476 -7.458 1.00 61.03 C ATOM 577 C ARG A 40 20.721 22.994 -8.814 1.00 54.24 C ATOM 578 O ARG A 40 20.471 22.217 -9.739 1.00 13.25 O ATOM 579 CB ARG A 40 22.473 21.653 -7.612 1.00 5.24 C ATOM 580 CG ARG A 40 23.532 22.312 -8.487 1.00 52.34 C ATOM 581 CD ARG A 40 23.988 23.646 -7.921 1.00 31.33 C ATOM 582 NE ARG A 40 24.693 23.492 -6.654 1.00 23.32 N ATOM 583 CZ ARG A 40 25.433 24.443 -6.097 1.00 30.25 C ATOM 584 NH1 ARG A 40 25.522 25.639 -6.658 1.00 71.53 N ATOM 585 NH2 ARG A 40 26.065 24.204 -4.957 1.00 14.54 N ATOM 0 H ARG A 40 19.873 20.859 -7.413 1.00 15.10 H new ATOM 0 HA ARG A 40 21.401 23.323 -6.806 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.895 21.471 -6.624 1.00 5.24 H new ATOM 0 HB3 ARG A 40 22.221 20.681 -8.035 1.00 5.24 H new ATOM 0 HG2 ARG A 40 24.390 21.646 -8.582 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.132 22.461 -9.490 1.00 52.34 H new ATOM 0 HD2 ARG A 40 24.640 24.141 -8.641 1.00 31.33 H new ATOM 0 HD3 ARG A 40 23.123 24.293 -7.778 1.00 31.33 H new ATOM 0 HE ARG A 40 24.613 22.600 -6.166 1.00 23.32 H new ATOM 0 HH11 ARG A 40 25.020 25.835 -7.524 1.00 71.53 H new ATOM 0 HH12 ARG A 40 26.093 26.365 -6.224 1.00 71.53 H new ATOM 0 HH21 ARG A 40 25.982 23.291 -4.510 1.00 14.54 H new ATOM 0 HH22 ARG A 40 26.634 24.933 -4.527 1.00 14.54 H new ATOM 599 N VAL A 41 20.579 24.305 -8.921 1.00 40.24 N ATOM 600 CA VAL A 41 20.227 24.923 -10.186 1.00 71.24 C ATOM 601 C VAL A 41 21.480 25.126 -11.023 1.00 31.12 C ATOM 602 O VAL A 41 22.342 25.934 -10.678 1.00 65.41 O ATOM 603 CB VAL A 41 19.511 26.280 -9.992 1.00 61.45 C ATOM 604 CG1 VAL A 41 19.179 26.918 -11.334 1.00 25.00 C ATOM 605 CG2 VAL A 41 18.248 26.104 -9.164 1.00 14.32 C ATOM 0 H VAL A 41 20.702 24.959 -8.148 1.00 40.24 H new ATOM 0 HA VAL A 41 19.536 24.253 -10.697 1.00 71.24 H new ATOM 0 HB VAL A 41 20.189 26.945 -9.457 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.676 27.871 -11.169 1.00 25.00 H new ATOM 0 HG12 VAL A 41 20.099 27.085 -11.895 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.524 26.255 -11.900 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.758 27.069 -9.038 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.572 25.417 -9.673 1.00 14.32 H new ATOM 0 HG23 VAL A 41 18.508 25.699 -8.186 1.00 14.32 H new ATOM 615 N VAL A 42 21.590 24.369 -12.101 1.00 40.32 N ATOM 616 CA VAL A 42 22.737 24.486 -12.987 1.00 63.24 C ATOM 617 C VAL A 42 22.534 25.662 -13.933 1.00 50.15 C ATOM 618 O VAL A 42 23.461 26.419 -14.219 1.00 15.22 O ATOM 619 CB VAL A 42 22.961 23.192 -13.798 1.00 42.14 C ATOM 620 CG1 VAL A 42 24.218 23.296 -14.649 1.00 23.52 C ATOM 621 CG2 VAL A 42 23.044 21.989 -12.868 1.00 52.31 C ATOM 0 H VAL A 42 20.903 23.670 -12.384 1.00 40.32 H new ATOM 0 HA VAL A 42 23.623 24.653 -12.374 1.00 63.24 H new ATOM 0 HB VAL A 42 22.110 23.057 -14.465 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.354 22.372 -15.211 1.00 23.52 H new ATOM 0 HG12 VAL A 42 24.120 24.131 -15.342 1.00 23.52 H new ATOM 0 HG13 VAL A 42 25.081 23.459 -14.004 1.00 23.52 H new ATOM 0 HG21 VAL A 42 23.202 21.085 -13.456 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.875 22.121 -12.175 1.00 52.31 H new ATOM 0 HG23 VAL A 42 22.114 21.899 -12.306 1.00 52.31 H new ATOM 631 N HIS A 43 21.299 25.817 -14.385 1.00 32.14 N ATOM 632 CA HIS A 43 20.918 26.908 -15.270 1.00 42.41 C ATOM 633 C HIS A 43 19.434 27.184 -15.119 1.00 1.25 C ATOM 634 O HIS A 43 18.675 26.295 -14.720 1.00 24.14 O ATOM 635 CB HIS A 43 21.248 26.591 -16.736 1.00 4.00 C ATOM 636 CG HIS A 43 22.584 27.107 -17.182 1.00 10.14 C ATOM 637 ND1 HIS A 43 22.793 28.418 -17.552 1.00 72.12 N ATOM 638 CD2 HIS A 43 23.783 26.486 -17.315 1.00 61.44 C ATOM 639 CE1 HIS A 43 24.057 28.583 -17.891 1.00 25.41 C ATOM 640 NE2 HIS A 43 24.678 27.429 -17.755 1.00 3.32 N ATOM 0 H HIS A 43 20.531 25.189 -14.148 1.00 32.14 H new ATOM 0 HA HIS A 43 21.491 27.792 -14.988 1.00 42.41 H new ATOM 0 HB2 HIS A 43 21.220 25.511 -16.879 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.473 27.017 -17.373 1.00 4.00 H new ATOM 0 HD2 HIS A 43 23.993 25.446 -17.113 1.00 61.44 H new ATOM 0 HE1 HIS A 43 24.506 29.507 -18.224 1.00 25.41 H new ATOM 0 HE2 HIS A 43 25.666 27.263 -17.946 1.00 3.32 H new ATOM 649 N GLY A 44 19.033 28.408 -15.425 1.00 64.42 N ATOM 650 CA GLY A 44 17.653 28.805 -15.257 1.00 40.31 C ATOM 651 C GLY A 44 16.766 28.345 -16.391 1.00 11.43 C ATOM 652 O GLY A 44 16.824 27.189 -16.810 1.00 14.32 O ATOM 0 H GLY A 44 19.645 29.138 -15.790 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.275 28.398 -14.319 1.00 40.31 H new ATOM 0 HA3 GLY A 44 17.600 29.891 -15.178 1.00 40.31 H new ATOM 656 N GLU A 45 15.949 29.251 -16.900 1.00 41.53 N ATOM 657 CA GLU A 45 15.014 28.897 -17.952 1.00 24.13 C ATOM 658 C GLU A 45 15.622 29.161 -19.316 1.00 75.21 C ATOM 659 O GLU A 45 15.648 30.281 -19.827 1.00 73.32 O ATOM 660 CB GLU A 45 13.658 29.601 -17.781 1.00 41.13 C ATOM 661 CG GLU A 45 13.719 30.890 -16.989 1.00 22.15 C ATOM 662 CD GLU A 45 14.265 32.061 -17.772 1.00 40.03 C ATOM 663 OE1 GLU A 45 13.589 32.514 -18.716 1.00 61.15 O ATOM 664 OE2 GLU A 45 15.356 32.556 -17.426 1.00 54.25 O ATOM 0 H GLU A 45 15.914 30.227 -16.605 1.00 41.53 H new ATOM 0 HA GLU A 45 14.815 27.828 -17.875 1.00 24.13 H new ATOM 0 HB2 GLU A 45 13.246 29.814 -18.767 1.00 41.13 H new ATOM 0 HB3 GLU A 45 12.967 28.918 -17.287 1.00 41.13 H new ATOM 0 HG2 GLU A 45 12.718 31.136 -16.636 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.339 30.734 -16.106 1.00 22.15 H new ATOM 671 N ALA A 46 16.132 28.090 -19.867 1.00 42.34 N ATOM 672 CA ALA A 46 16.688 28.074 -21.208 1.00 4.43 C ATOM 673 C ALA A 46 15.892 27.105 -22.068 1.00 3.13 C ATOM 674 O ALA A 46 15.106 26.327 -21.533 1.00 72.05 O ATOM 675 CB ALA A 46 18.158 27.686 -21.173 1.00 74.23 C ATOM 0 H ALA A 46 16.176 27.187 -19.395 1.00 42.34 H new ATOM 0 HA ALA A 46 16.620 29.073 -21.640 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.557 27.680 -22.187 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.710 28.407 -20.570 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.262 26.693 -20.736 1.00 74.23 H new ATOM 681 N SER A 47 16.080 27.170 -23.386 1.00 52.43 N ATOM 682 CA SER A 47 15.340 26.324 -24.327 1.00 21.43 C ATOM 683 C SER A 47 15.255 24.874 -23.834 1.00 15.04 C ATOM 684 O SER A 47 16.263 24.278 -23.455 1.00 74.34 O ATOM 685 CB SER A 47 16.009 26.377 -25.703 1.00 75.44 C ATOM 686 OG SER A 47 16.180 27.721 -26.132 1.00 33.40 O ATOM 0 H SER A 47 16.744 27.805 -23.830 1.00 52.43 H new ATOM 0 HA SER A 47 14.322 26.707 -24.401 1.00 21.43 H new ATOM 0 HB2 SER A 47 16.977 25.879 -25.660 1.00 75.44 H new ATOM 0 HB3 SER A 47 15.403 25.834 -26.428 1.00 75.44 H new ATOM 0 HG SER A 47 16.611 27.731 -27.012 1.00 33.40 H new ATOM 692 N ARG A 48 14.040 24.328 -23.831 1.00 24.40 N ATOM 693 CA ARG A 48 13.777 22.986 -23.301 1.00 63.42 C ATOM 694 C ARG A 48 14.691 21.954 -23.958 1.00 12.32 C ATOM 695 O ARG A 48 15.302 21.133 -23.273 1.00 12.12 O ATOM 696 CB ARG A 48 12.292 22.627 -23.510 1.00 31.24 C ATOM 697 CG ARG A 48 11.812 21.350 -22.818 1.00 63.13 C ATOM 698 CD ARG A 48 12.240 20.087 -23.558 1.00 15.30 C ATOM 699 NE ARG A 48 11.844 20.103 -24.968 1.00 30.40 N ATOM 700 CZ ARG A 48 12.225 19.187 -25.855 1.00 64.14 C ATOM 701 NH1 ARG A 48 12.916 18.122 -25.463 1.00 2.12 N ATOM 702 NH2 ARG A 48 11.884 19.318 -27.130 1.00 42.11 N ATOM 0 H ARG A 48 13.211 24.799 -24.194 1.00 24.40 H new ATOM 0 HA ARG A 48 13.991 22.979 -22.232 1.00 63.42 H new ATOM 0 HB2 ARG A 48 11.683 23.460 -23.157 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.109 22.529 -24.580 1.00 31.24 H new ATOM 0 HG2 ARG A 48 12.205 21.322 -21.802 1.00 63.13 H new ATOM 0 HG3 ARG A 48 10.725 21.370 -22.739 1.00 63.13 H new ATOM 0 HD2 ARG A 48 13.322 19.978 -23.489 1.00 15.30 H new ATOM 0 HD3 ARG A 48 11.800 19.217 -23.070 1.00 15.30 H new ATOM 0 HE ARG A 48 11.241 20.860 -25.289 1.00 30.40 H new ATOM 0 HH11 ARG A 48 13.156 18.004 -24.479 1.00 2.12 H new ATOM 0 HH12 ARG A 48 13.206 17.422 -26.146 1.00 2.12 H new ATOM 0 HH21 ARG A 48 11.330 20.120 -27.430 1.00 42.11 H new ATOM 0 HH22 ARG A 48 12.176 18.616 -27.811 1.00 42.11 H new ATOM 716 N ALA A 49 14.790 22.007 -25.281 1.00 71.21 N ATOM 717 CA ALA A 49 15.634 21.079 -26.020 1.00 23.33 C ATOM 718 C ALA A 49 17.089 21.223 -25.595 1.00 12.42 C ATOM 719 O ALA A 49 17.789 20.230 -25.405 1.00 4.23 O ATOM 720 CB ALA A 49 15.487 21.303 -27.517 1.00 24.31 C ATOM 0 H ALA A 49 14.296 22.683 -25.863 1.00 71.21 H new ATOM 0 HA ALA A 49 15.311 20.063 -25.792 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.125 20.601 -28.054 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.448 21.146 -27.808 1.00 24.31 H new ATOM 0 HB3 ALA A 49 15.782 22.323 -27.763 1.00 24.31 H new ATOM 726 N ALA A 50 17.523 22.466 -25.415 1.00 1.42 N ATOM 727 CA ALA A 50 18.886 22.753 -24.992 1.00 72.11 C ATOM 728 C ALA A 50 19.144 22.229 -23.584 1.00 72.52 C ATOM 729 O ALA A 50 20.230 21.747 -23.287 1.00 11.34 O ATOM 730 CB ALA A 50 19.158 24.248 -25.052 1.00 20.13 C ATOM 0 H ALA A 50 16.945 23.294 -25.557 1.00 1.42 H new ATOM 0 HA ALA A 50 19.564 22.243 -25.676 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.181 24.445 -24.732 1.00 20.13 H new ATOM 0 HB2 ALA A 50 19.023 24.602 -26.074 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.465 24.771 -24.392 1.00 20.13 H new ATOM 736 N CYS A 51 18.136 22.331 -22.725 1.00 34.11 N ATOM 737 CA CYS A 51 18.243 21.850 -21.355 1.00 53.12 C ATOM 738 C CYS A 51 18.375 20.327 -21.315 1.00 24.13 C ATOM 739 O CYS A 51 19.222 19.793 -20.602 1.00 22.31 O ATOM 740 CB CYS A 51 17.037 22.306 -20.534 1.00 2.53 C ATOM 741 SG CYS A 51 16.934 24.096 -20.318 1.00 11.35 S ATOM 0 H CYS A 51 17.233 22.744 -22.956 1.00 34.11 H new ATOM 0 HA CYS A 51 19.145 22.277 -20.916 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.126 21.955 -21.019 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.078 21.833 -19.553 1.00 2.53 H new ATOM 0 HG CYS A 51 16.121 24.594 -21.202 1.00 11.35 H new ATOM 747 N LEU A 52 17.545 19.632 -22.089 1.00 14.24 N ATOM 748 CA LEU A 52 17.623 18.175 -22.171 1.00 14.11 C ATOM 749 C LEU A 52 18.945 17.751 -22.794 1.00 14.41 C ATOM 750 O LEU A 52 19.595 16.822 -22.322 1.00 13.15 O ATOM 751 CB LEU A 52 16.447 17.608 -22.971 1.00 54.05 C ATOM 752 CG LEU A 52 15.186 17.286 -22.158 1.00 21.41 C ATOM 753 CD1 LEU A 52 15.475 16.202 -21.130 1.00 71.20 C ATOM 754 CD2 LEU A 52 14.635 18.532 -21.478 1.00 63.03 C ATOM 0 H LEU A 52 16.815 20.051 -22.665 1.00 14.24 H new ATOM 0 HA LEU A 52 17.568 17.773 -21.159 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.183 18.323 -23.750 1.00 54.05 H new ATOM 0 HB3 LEU A 52 16.777 16.698 -23.472 1.00 54.05 H new ATOM 0 HG LEU A 52 14.428 16.918 -22.849 1.00 21.41 H new ATOM 0 HD11 LEU A 52 14.569 15.987 -20.563 1.00 71.20 H new ATOM 0 HD12 LEU A 52 15.808 15.297 -21.639 1.00 71.20 H new ATOM 0 HD13 LEU A 52 16.256 16.544 -20.450 1.00 71.20 H new ATOM 0 HD21 LEU A 52 13.742 18.272 -20.910 1.00 63.03 H new ATOM 0 HD22 LEU A 52 15.387 18.941 -20.804 1.00 63.03 H new ATOM 0 HD23 LEU A 52 14.381 19.276 -22.233 1.00 63.03 H new ATOM 766 N ASP A 53 19.341 18.452 -23.846 1.00 61.53 N ATOM 767 CA ASP A 53 20.639 18.236 -24.474 1.00 54.43 C ATOM 768 C ASP A 53 21.755 18.415 -23.445 1.00 63.52 C ATOM 769 O ASP A 53 22.658 17.578 -23.321 1.00 62.44 O ATOM 770 CB ASP A 53 20.807 19.229 -25.627 1.00 40.30 C ATOM 771 CG ASP A 53 22.164 19.158 -26.285 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.333 18.360 -27.227 1.00 63.05 O ATOM 773 OD2 ASP A 53 23.066 19.922 -25.880 1.00 1.13 O ATOM 0 H ASP A 53 18.779 19.180 -24.286 1.00 61.53 H new ATOM 0 HA ASP A 53 20.695 17.220 -24.864 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.038 19.039 -26.376 1.00 40.30 H new ATOM 0 HB3 ASP A 53 20.645 20.240 -25.253 1.00 40.30 H new ATOM 778 N TYR A 54 21.644 19.495 -22.681 1.00 62.01 N ATOM 779 CA TYR A 54 22.623 19.853 -21.665 1.00 33.33 C ATOM 780 C TYR A 54 22.756 18.755 -20.611 1.00 54.33 C ATOM 781 O TYR A 54 23.861 18.299 -20.317 1.00 52.04 O ATOM 782 CB TYR A 54 22.191 21.170 -21.004 1.00 21.41 C ATOM 783 CG TYR A 54 23.247 21.844 -20.158 1.00 53.34 C ATOM 784 CD1 TYR A 54 23.429 21.495 -18.826 1.00 62.33 C ATOM 785 CD2 TYR A 54 24.047 22.846 -20.689 1.00 31.52 C ATOM 786 CE1 TYR A 54 24.383 22.121 -18.051 1.00 32.53 C ATOM 787 CE2 TYR A 54 25.002 23.480 -19.921 1.00 53.11 C ATOM 788 CZ TYR A 54 25.166 23.116 -18.603 1.00 2.30 C ATOM 789 OH TYR A 54 26.116 23.744 -17.835 1.00 25.04 O ATOM 0 H TYR A 54 20.866 20.151 -22.751 1.00 62.01 H new ATOM 0 HA TYR A 54 23.597 19.973 -22.140 1.00 33.33 H new ATOM 0 HB2 TYR A 54 21.877 21.863 -21.784 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.319 20.975 -20.380 1.00 21.41 H new ATOM 0 HD1 TYR A 54 22.814 20.721 -18.390 1.00 62.33 H new ATOM 0 HD2 TYR A 54 23.920 23.135 -21.722 1.00 31.52 H new ATOM 0 HE1 TYR A 54 24.517 21.835 -17.018 1.00 32.53 H new ATOM 0 HE2 TYR A 54 25.617 24.257 -20.351 1.00 53.11 H new ATOM 0 HH TYR A 54 26.580 24.418 -18.375 1.00 25.04 H new ATOM 799 N VAL A 55 21.630 18.325 -20.054 1.00 13.21 N ATOM 800 CA VAL A 55 21.649 17.353 -18.966 1.00 73.54 C ATOM 801 C VAL A 55 22.087 15.973 -19.447 1.00 63.52 C ATOM 802 O VAL A 55 22.799 15.261 -18.738 1.00 1.14 O ATOM 803 CB VAL A 55 20.280 17.242 -18.254 1.00 74.32 C ATOM 804 CG1 VAL A 55 19.873 18.579 -17.674 1.00 11.35 C ATOM 805 CG2 VAL A 55 19.196 16.723 -19.188 1.00 3.21 C ATOM 0 H VAL A 55 20.698 18.631 -20.335 1.00 13.21 H new ATOM 0 HA VAL A 55 22.380 17.724 -18.247 1.00 73.54 H new ATOM 0 HB VAL A 55 20.393 16.521 -17.444 1.00 74.32 H new ATOM 0 HG11 VAL A 55 18.908 18.481 -17.177 1.00 11.35 H new ATOM 0 HG12 VAL A 55 20.621 18.905 -16.952 1.00 11.35 H new ATOM 0 HG13 VAL A 55 19.796 19.315 -18.475 1.00 11.35 H new ATOM 0 HG21 VAL A 55 18.251 16.660 -18.649 1.00 3.21 H new ATOM 0 HG22 VAL A 55 19.087 17.403 -20.033 1.00 3.21 H new ATOM 0 HG23 VAL A 55 19.473 15.734 -19.552 1.00 3.21 H new ATOM 815 N GLU A 56 21.670 15.601 -20.647 1.00 10.40 N ATOM 816 CA GLU A 56 21.982 14.287 -21.194 1.00 61.52 C ATOM 817 C GLU A 56 23.447 14.178 -21.588 1.00 34.54 C ATOM 818 O GLU A 56 24.063 13.127 -21.424 1.00 73.34 O ATOM 819 CB GLU A 56 21.074 13.996 -22.380 1.00 74.35 C ATOM 820 CG GLU A 56 19.640 13.724 -21.969 1.00 71.41 C ATOM 821 CD GLU A 56 19.431 12.295 -21.516 1.00 3.14 C ATOM 822 OE1 GLU A 56 19.303 11.409 -22.386 1.00 12.33 O ATOM 823 OE2 GLU A 56 19.400 12.048 -20.291 1.00 13.14 O ATOM 0 H GLU A 56 21.113 16.192 -21.264 1.00 10.40 H new ATOM 0 HA GLU A 56 21.804 13.541 -20.420 1.00 61.52 H new ATOM 0 HB2 GLU A 56 21.096 14.843 -23.065 1.00 74.35 H new ATOM 0 HB3 GLU A 56 21.461 13.135 -22.925 1.00 74.35 H new ATOM 0 HG2 GLU A 56 19.361 14.402 -21.163 1.00 71.41 H new ATOM 0 HG3 GLU A 56 18.978 13.937 -22.808 1.00 71.41 H new ATOM 830 N LYS A 57 24.007 15.262 -22.107 1.00 70.11 N ATOM 831 CA LYS A 57 25.419 15.283 -22.474 1.00 60.22 C ATOM 832 C LYS A 57 26.314 15.438 -21.248 1.00 10.13 C ATOM 833 O LYS A 57 27.522 15.214 -21.322 1.00 34.22 O ATOM 834 CB LYS A 57 25.686 16.372 -23.508 1.00 64.25 C ATOM 835 CG LYS A 57 25.364 15.919 -24.925 1.00 75.40 C ATOM 836 CD LYS A 57 24.891 17.061 -25.808 1.00 11.15 C ATOM 837 CE LYS A 57 25.923 18.172 -25.934 1.00 5.52 C ATOM 838 NZ LYS A 57 25.430 19.267 -26.811 1.00 33.13 N ATOM 0 H LYS A 57 23.510 16.135 -22.283 1.00 70.11 H new ATOM 0 HA LYS A 57 25.666 14.322 -22.926 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.090 17.252 -23.267 1.00 64.25 H new ATOM 0 HB3 LYS A 57 26.733 16.671 -23.454 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.250 15.465 -25.368 1.00 75.40 H new ATOM 0 HG3 LYS A 57 24.594 15.148 -24.890 1.00 75.40 H new ATOM 0 HD2 LYS A 57 24.656 16.675 -26.800 1.00 11.15 H new ATOM 0 HD3 LYS A 57 23.968 17.473 -25.399 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.155 18.570 -24.946 1.00 5.52 H new ATOM 0 HE3 LYS A 57 26.850 17.767 -26.340 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 26.209 19.925 -27.016 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 25.073 18.865 -27.701 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 24.663 19.778 -26.330 1.00 33.13 H new ATOM 852 N ASN A 58 25.722 15.837 -20.130 1.00 5.40 N ATOM 853 CA ASN A 58 26.450 15.899 -18.869 1.00 62.23 C ATOM 854 C ASN A 58 26.400 14.559 -18.147 1.00 64.30 C ATOM 855 O ASN A 58 27.424 14.065 -17.667 1.00 2.42 O ATOM 856 CB ASN A 58 25.896 16.997 -17.955 1.00 60.13 C ATOM 857 CG ASN A 58 26.613 18.325 -18.131 1.00 21.12 C ATOM 858 OD1 ASN A 58 27.628 18.584 -17.486 1.00 45.43 O ATOM 859 ND2 ASN A 58 26.087 19.180 -18.995 1.00 73.12 N ATOM 0 H ASN A 58 24.744 16.121 -20.070 1.00 5.40 H new ATOM 0 HA ASN A 58 27.487 16.138 -19.107 1.00 62.23 H new ATOM 0 HB2 ASN A 58 24.834 17.132 -18.160 1.00 60.13 H new ATOM 0 HB3 ASN A 58 25.982 16.677 -16.917 1.00 60.13 H new ATOM 0 HD21 ASN A 58 26.525 20.089 -19.144 1.00 73.12 H new ATOM 0 HD22 ASN A 58 25.244 18.929 -19.512 1.00 73.12 H new ATOM 866 N TRP A 59 25.212 13.968 -18.069 1.00 74.44 N ATOM 867 CA TRP A 59 25.043 12.703 -17.374 1.00 50.11 C ATOM 868 C TRP A 59 24.275 11.693 -18.221 1.00 20.21 C ATOM 869 O TRP A 59 23.056 11.792 -18.383 1.00 31.04 O ATOM 870 CB TRP A 59 24.328 12.909 -16.035 1.00 2.31 C ATOM 871 CG TRP A 59 25.188 13.566 -14.996 1.00 72.22 C ATOM 872 CD1 TRP A 59 25.173 14.879 -14.620 1.00 32.41 C ATOM 873 CD2 TRP A 59 26.199 12.932 -14.204 1.00 42.01 C ATOM 874 NE1 TRP A 59 26.114 15.100 -13.642 1.00 45.01 N ATOM 875 CE2 TRP A 59 26.755 13.920 -13.369 1.00 71.53 C ATOM 876 CE3 TRP A 59 26.686 11.625 -14.119 1.00 43.25 C ATOM 877 CZ2 TRP A 59 27.774 13.641 -12.463 1.00 24.34 C ATOM 878 CZ3 TRP A 59 27.698 11.349 -13.219 1.00 73.44 C ATOM 879 CH2 TRP A 59 28.232 12.352 -12.402 1.00 44.54 C ATOM 0 H TRP A 59 24.357 14.345 -18.478 1.00 74.44 H new ATOM 0 HA TRP A 59 26.040 12.303 -17.188 1.00 50.11 H new ATOM 0 HB2 TRP A 59 23.438 13.517 -16.197 1.00 2.31 H new ATOM 0 HB3 TRP A 59 23.991 11.943 -15.659 1.00 2.31 H new ATOM 0 HD1 TRP A 59 24.518 15.633 -15.031 1.00 32.41 H new ATOM 0 HE1 TRP A 59 26.304 15.996 -13.193 1.00 45.01 H new ATOM 0 HE3 TRP A 59 26.279 10.845 -14.745 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 28.188 14.413 -11.831 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 28.083 10.343 -13.145 1.00 73.44 H new ATOM 0 HH2 TRP A 59 29.022 12.104 -11.709 1.00 44.54 H new ATOM 890 N THR A 60 25.003 10.733 -18.763 1.00 25.34 N ATOM 891 CA THR A 60 24.413 9.633 -19.505 1.00 53.12 C ATOM 892 C THR A 60 25.143 8.343 -19.150 1.00 52.32 C ATOM 893 O THR A 60 26.309 8.373 -18.755 1.00 3.14 O ATOM 894 CB THR A 60 24.469 9.876 -21.033 1.00 72.14 C ATOM 895 OG1 THR A 60 23.862 8.782 -21.737 1.00 12.01 O ATOM 896 CG2 THR A 60 25.903 10.058 -21.512 1.00 24.55 C ATOM 0 H THR A 60 26.020 10.694 -18.701 1.00 25.34 H new ATOM 0 HA THR A 60 23.362 9.555 -19.228 1.00 53.12 H new ATOM 0 HB THR A 60 23.916 10.792 -21.241 1.00 72.14 H new ATOM 0 HG1 THR A 60 23.903 8.950 -22.702 1.00 12.01 H new ATOM 0 HG21 THR A 60 25.908 10.227 -22.589 1.00 24.55 H new ATOM 0 HG22 THR A 60 26.349 10.916 -21.008 1.00 24.55 H new ATOM 0 HG23 THR A 60 26.480 9.162 -21.282 1.00 24.55 H new ATOM 904 N ASP A 61 24.455 7.220 -19.255 1.00 33.13 N ATOM 905 CA ASP A 61 25.051 5.933 -18.926 1.00 24.12 C ATOM 906 C ASP A 61 25.613 5.274 -20.180 1.00 25.15 C ATOM 907 O ASP A 61 26.384 4.315 -20.108 1.00 35.34 O ATOM 908 CB ASP A 61 24.011 5.024 -18.270 1.00 2.25 C ATOM 909 CG ASP A 61 24.631 3.798 -17.635 1.00 11.43 C ATOM 910 OD1 ASP A 61 25.038 3.877 -16.457 1.00 12.31 O ATOM 911 OD2 ASP A 61 24.705 2.745 -18.302 1.00 4.15 O ATOM 0 H ASP A 61 23.484 7.171 -19.565 1.00 33.13 H new ATOM 0 HA ASP A 61 25.868 6.095 -18.223 1.00 24.12 H new ATOM 0 HB2 ASP A 61 23.468 5.587 -17.511 1.00 2.25 H new ATOM 0 HB3 ASP A 61 23.282 4.712 -19.018 1.00 2.25 H new ATOM 916 N LEU A 62 25.238 5.811 -21.330 1.00 21.55 N ATOM 917 CA LEU A 62 25.697 5.280 -22.604 1.00 3.00 C ATOM 918 C LEU A 62 26.984 5.974 -23.030 1.00 51.34 C ATOM 919 O LEU A 62 27.309 7.057 -22.538 1.00 51.51 O ATOM 920 CB LEU A 62 24.624 5.473 -23.676 1.00 71.54 C ATOM 921 CG LEU A 62 23.281 4.804 -23.381 1.00 32.22 C ATOM 922 CD1 LEU A 62 22.272 5.135 -24.470 1.00 31.24 C ATOM 923 CD2 LEU A 62 23.447 3.298 -23.257 1.00 22.21 C ATOM 0 H LEU A 62 24.616 6.616 -21.408 1.00 21.55 H new ATOM 0 HA LEU A 62 25.891 4.214 -22.486 1.00 3.00 H new ATOM 0 HB2 LEU A 62 24.457 6.542 -23.812 1.00 71.54 H new ATOM 0 HB3 LEU A 62 25.004 5.087 -24.622 1.00 71.54 H new ATOM 0 HG LEU A 62 22.909 5.189 -22.432 1.00 32.22 H new ATOM 0 HD11 LEU A 62 21.322 4.651 -24.245 1.00 31.24 H new ATOM 0 HD12 LEU A 62 22.128 6.214 -24.516 1.00 31.24 H new ATOM 0 HD13 LEU A 62 22.643 4.777 -25.430 1.00 31.24 H new ATOM 0 HD21 LEU A 62 22.480 2.841 -23.047 1.00 22.21 H new ATOM 0 HD22 LEU A 62 23.842 2.897 -24.190 1.00 22.21 H new ATOM 0 HD23 LEU A 62 24.138 3.074 -22.444 1.00 22.21 H new ATOM 935 N ARG A 63 27.722 5.349 -23.935 1.00 42.45 N ATOM 936 CA ARG A 63 28.938 5.952 -24.461 1.00 32.00 C ATOM 937 C ARG A 63 28.951 5.868 -25.988 1.00 0.32 C ATOM 938 O ARG A 63 29.425 4.887 -26.562 1.00 73.24 O ATOM 939 CB ARG A 63 30.189 5.283 -23.856 1.00 41.05 C ATOM 940 CG ARG A 63 31.491 6.061 -24.068 1.00 42.42 C ATOM 941 CD ARG A 63 32.044 5.885 -25.473 1.00 14.22 C ATOM 942 NE ARG A 63 33.183 6.765 -25.741 1.00 25.55 N ATOM 943 CZ ARG A 63 33.709 6.954 -26.955 1.00 25.12 C ATOM 944 NH1 ARG A 63 33.247 6.264 -27.993 1.00 1.23 N ATOM 945 NH2 ARG A 63 34.707 7.819 -27.126 1.00 53.21 N ATOM 0 H ARG A 63 27.502 4.430 -24.319 1.00 42.45 H new ATOM 0 HA ARG A 63 28.956 7.004 -24.176 1.00 32.00 H new ATOM 0 HB2 ARG A 63 30.032 5.148 -22.786 1.00 41.05 H new ATOM 0 HB3 ARG A 63 30.300 4.289 -24.290 1.00 41.05 H new ATOM 0 HG2 ARG A 63 31.314 7.120 -23.879 1.00 42.42 H new ATOM 0 HG3 ARG A 63 32.233 5.728 -23.343 1.00 42.42 H new ATOM 0 HD2 ARG A 63 32.349 4.848 -25.613 1.00 14.22 H new ATOM 0 HD3 ARG A 63 31.255 6.086 -26.198 1.00 14.22 H new ATOM 0 HE ARG A 63 33.600 7.263 -24.955 1.00 25.55 H new ATOM 0 HH11 ARG A 63 32.492 5.591 -27.863 1.00 1.23 H new ATOM 0 HH12 ARG A 63 33.648 6.408 -28.920 1.00 1.23 H new ATOM 0 HH21 ARG A 63 35.073 8.340 -26.329 1.00 53.21 H new ATOM 0 HH22 ARG A 63 35.106 7.961 -28.054 1.00 53.21 H new ATOM 959 N PRO A 64 28.375 6.874 -26.659 1.00 42.03 N ATOM 960 CA PRO A 64 28.481 7.033 -28.099 1.00 50.30 C ATOM 961 C PRO A 64 29.602 8.002 -28.466 1.00 15.45 C ATOM 962 O PRO A 64 30.123 8.713 -27.602 1.00 33.12 O ATOM 963 CB PRO A 64 27.114 7.618 -28.456 1.00 33.03 C ATOM 964 CG PRO A 64 26.685 8.397 -27.243 1.00 44.51 C ATOM 965 CD PRO A 64 27.531 7.927 -26.076 1.00 5.45 C ATOM 0 HA PRO A 64 28.718 6.109 -28.626 1.00 50.30 H new ATOM 0 HB2 PRO A 64 27.179 8.261 -29.334 1.00 33.03 H new ATOM 0 HB3 PRO A 64 26.398 6.830 -28.690 1.00 33.03 H new ATOM 0 HG2 PRO A 64 26.819 9.466 -27.407 1.00 44.51 H new ATOM 0 HG3 PRO A 64 25.627 8.236 -27.039 1.00 44.51 H new ATOM 0 HD2 PRO A 64 28.131 8.738 -25.664 1.00 5.45 H new ATOM 0 HD3 PRO A 64 26.914 7.542 -25.264 1.00 5.45 H new ATOM 973 N LYS A 65 29.981 8.044 -29.735 1.00 63.55 N ATOM 974 CA LYS A 65 31.012 8.977 -30.164 1.00 13.53 C ATOM 975 C LYS A 65 30.391 10.329 -30.507 1.00 63.33 C ATOM 976 O LYS A 65 30.262 10.707 -31.670 1.00 73.10 O ATOM 977 CB LYS A 65 31.838 8.413 -31.334 1.00 62.35 C ATOM 978 CG LYS A 65 31.026 8.011 -32.554 1.00 44.04 C ATOM 979 CD LYS A 65 31.918 7.459 -33.654 1.00 24.10 C ATOM 980 CE LYS A 65 31.126 7.142 -34.911 1.00 53.25 C ATOM 981 NZ LYS A 65 30.589 8.368 -35.562 1.00 31.21 N ATOM 0 H LYS A 65 29.598 7.454 -30.474 1.00 63.55 H new ATOM 0 HA LYS A 65 31.706 9.123 -29.336 1.00 13.53 H new ATOM 0 HB2 LYS A 65 32.573 9.160 -31.634 1.00 62.35 H new ATOM 0 HB3 LYS A 65 32.393 7.543 -30.982 1.00 62.35 H new ATOM 0 HG2 LYS A 65 30.288 7.261 -32.271 1.00 44.04 H new ATOM 0 HG3 LYS A 65 30.476 8.874 -32.928 1.00 44.04 H new ATOM 0 HD2 LYS A 65 32.698 8.183 -33.888 1.00 24.10 H new ATOM 0 HD3 LYS A 65 32.416 6.557 -33.300 1.00 24.10 H new ATOM 0 HE2 LYS A 65 31.764 6.609 -35.615 1.00 53.25 H new ATOM 0 HE3 LYS A 65 30.301 6.475 -34.660 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 30.235 8.131 -36.511 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 29.811 8.753 -34.989 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 31.345 9.078 -35.642 1.00 31.21 H new ATOM 995 N SER A 66 29.972 11.038 -29.470 1.00 23.25 N ATOM 996 CA SER A 66 29.346 12.337 -29.635 1.00 12.53 C ATOM 997 C SER A 66 30.393 13.439 -29.604 1.00 33.45 C ATOM 998 O SER A 66 30.934 13.770 -28.547 1.00 53.54 O ATOM 999 CB SER A 66 28.299 12.566 -28.537 1.00 3.34 C ATOM 1000 OG SER A 66 27.660 13.828 -28.681 1.00 43.50 O ATOM 0 H SER A 66 30.056 10.732 -28.501 1.00 23.25 H new ATOM 0 HA SER A 66 28.847 12.361 -30.604 1.00 12.53 H new ATOM 0 HB2 SER A 66 27.552 11.773 -28.574 1.00 3.34 H new ATOM 0 HB3 SER A 66 28.777 12.509 -27.559 1.00 3.34 H new ATOM 0 HG SER A 66 26.894 13.878 -28.072 1.00 43.50 H new ATOM 1006 N LEU A 67 30.692 13.992 -30.767 1.00 44.51 N ATOM 1007 CA LEU A 67 31.623 15.100 -30.862 1.00 12.45 C ATOM 1008 C LEU A 67 30.862 16.415 -30.912 1.00 63.32 C ATOM 1009 O LEU A 67 29.670 16.441 -31.219 1.00 55.43 O ATOM 1010 CB LEU A 67 32.531 14.970 -32.094 1.00 61.34 C ATOM 1011 CG LEU A 67 33.687 13.968 -31.968 1.00 40.13 C ATOM 1012 CD1 LEU A 67 34.537 14.285 -30.747 1.00 43.43 C ATOM 1013 CD2 LEU A 67 33.173 12.538 -31.906 1.00 40.31 C ATOM 0 H LEU A 67 30.302 13.690 -31.660 1.00 44.51 H new ATOM 0 HA LEU A 67 32.258 15.081 -29.976 1.00 12.45 H new ATOM 0 HB2 LEU A 67 31.916 14.681 -32.946 1.00 61.34 H new ATOM 0 HB3 LEU A 67 32.948 15.951 -32.320 1.00 61.34 H new ATOM 0 HG LEU A 67 34.309 14.060 -32.858 1.00 40.13 H new ATOM 0 HD11 LEU A 67 35.352 13.564 -30.674 1.00 43.43 H new ATOM 0 HD12 LEU A 67 34.949 15.290 -30.841 1.00 43.43 H new ATOM 0 HD13 LEU A 67 33.921 14.228 -29.850 1.00 43.43 H new ATOM 0 HD21 LEU A 67 34.015 11.852 -31.817 1.00 40.31 H new ATOM 0 HD22 LEU A 67 32.519 12.424 -31.042 1.00 40.31 H new ATOM 0 HD23 LEU A 67 32.616 12.312 -32.815 1.00 40.31 H new ATOM 1025 N ARG A 68 31.549 17.498 -30.595 1.00 14.23 N ATOM 1026 CA ARG A 68 30.948 18.822 -30.590 1.00 22.22 C ATOM 1027 C ARG A 68 32.041 19.872 -30.495 1.00 73.40 C ATOM 1028 O ARG A 68 33.226 19.533 -30.451 1.00 12.31 O ATOM 1029 CB ARG A 68 29.960 18.986 -29.420 1.00 54.24 C ATOM 1030 CG ARG A 68 30.606 19.037 -28.037 1.00 45.11 C ATOM 1031 CD ARG A 68 31.125 17.679 -27.585 1.00 35.31 C ATOM 1032 NE ARG A 68 30.060 16.680 -27.506 1.00 31.44 N ATOM 1033 CZ ARG A 68 29.748 16.012 -26.395 1.00 50.02 C ATOM 1034 NH1 ARG A 68 30.436 16.210 -25.278 1.00 73.03 N ATOM 1035 NH2 ARG A 68 28.767 15.121 -26.405 1.00 42.20 N ATOM 0 H ARG A 68 32.535 17.486 -30.335 1.00 14.23 H new ATOM 0 HA ARG A 68 30.391 18.950 -31.518 1.00 22.22 H new ATOM 0 HB2 ARG A 68 29.388 19.901 -29.572 1.00 54.24 H new ATOM 0 HB3 ARG A 68 29.251 18.159 -29.444 1.00 54.24 H new ATOM 0 HG2 ARG A 68 31.430 19.751 -28.050 1.00 45.11 H new ATOM 0 HG3 ARG A 68 29.878 19.403 -27.313 1.00 45.11 H new ATOM 0 HD2 ARG A 68 31.892 17.336 -28.279 1.00 35.31 H new ATOM 0 HD3 ARG A 68 31.600 17.780 -26.609 1.00 35.31 H new ATOM 0 HE ARG A 68 29.524 16.482 -28.351 1.00 31.44 H new ATOM 0 HH11 ARG A 68 31.208 16.876 -25.266 1.00 73.03 H new ATOM 0 HH12 ARG A 68 30.193 15.696 -24.431 1.00 73.03 H new ATOM 0 HH21 ARG A 68 28.247 14.944 -27.265 1.00 42.20 H new ATOM 0 HH22 ARG A 68 28.532 14.612 -25.553 1.00 42.20 H new ATOM 1049 N ASP A 69 31.647 21.135 -30.468 1.00 43.42 N ATOM 1050 CA ASP A 69 32.599 22.221 -30.290 1.00 35.03 C ATOM 1051 C ASP A 69 33.156 22.186 -28.873 1.00 44.35 C ATOM 1052 O ASP A 69 32.493 22.595 -27.917 1.00 24.24 O ATOM 1053 CB ASP A 69 31.935 23.568 -30.576 1.00 15.24 C ATOM 1054 CG ASP A 69 32.858 24.740 -30.327 1.00 5.01 C ATOM 1055 OD1 ASP A 69 33.875 24.866 -31.042 1.00 2.22 O ATOM 1056 OD2 ASP A 69 32.569 25.541 -29.420 1.00 51.34 O ATOM 0 H ASP A 69 30.677 21.434 -30.567 1.00 43.42 H new ATOM 0 HA ASP A 69 33.420 22.094 -30.995 1.00 35.03 H new ATOM 0 HB2 ASP A 69 31.599 23.590 -31.613 1.00 15.24 H new ATOM 0 HB3 ASP A 69 31.048 23.671 -29.951 1.00 15.24 H new ATOM 1061 N ALA A 70 34.362 21.657 -28.741 1.00 31.34 N ATOM 1062 CA ALA A 70 34.967 21.453 -27.438 1.00 34.42 C ATOM 1063 C ALA A 70 35.768 22.670 -26.998 1.00 3.43 C ATOM 1064 O ALA A 70 36.851 22.946 -27.520 1.00 31.54 O ATOM 1065 CB ALA A 70 35.843 20.210 -27.455 1.00 74.14 C ATOM 0 H ALA A 70 34.942 21.360 -29.526 1.00 31.34 H new ATOM 0 HA ALA A 70 34.166 21.309 -26.713 1.00 34.42 H new ATOM 0 HB1 ALA A 70 36.291 20.067 -26.472 1.00 74.14 H new ATOM 0 HB2 ALA A 70 35.236 19.340 -27.706 1.00 74.14 H new ATOM 0 HB3 ALA A 70 36.630 20.330 -28.199 1.00 74.14 H new ATOM 1071 N MET A 71 35.222 23.399 -26.045 1.00 45.13 N ATOM 1072 CA MET A 71 35.905 24.533 -25.455 1.00 4.24 C ATOM 1073 C MET A 71 35.603 24.560 -23.967 1.00 23.21 C ATOM 1074 O MET A 71 34.558 24.071 -23.537 1.00 22.34 O ATOM 1075 CB MET A 71 35.483 25.842 -26.140 1.00 35.40 C ATOM 1076 CG MET A 71 34.021 26.221 -25.946 1.00 23.12 C ATOM 1077 SD MET A 71 33.734 27.195 -24.451 1.00 51.33 S ATOM 1078 CE MET A 71 34.692 28.663 -24.819 1.00 40.34 C ATOM 0 H MET A 71 34.295 23.223 -25.659 1.00 45.13 H new ATOM 0 HA MET A 71 36.981 24.434 -25.600 1.00 4.24 H new ATOM 0 HB2 MET A 71 36.107 26.651 -25.761 1.00 35.40 H new ATOM 0 HB3 MET A 71 35.683 25.758 -27.208 1.00 35.40 H new ATOM 0 HG2 MET A 71 33.681 26.788 -26.813 1.00 23.12 H new ATOM 0 HG3 MET A 71 33.419 25.313 -25.902 1.00 23.12 H new ATOM 0 HE1 MET A 71 34.260 29.519 -24.300 1.00 40.34 H new ATOM 0 HE2 MET A 71 35.720 28.519 -24.488 1.00 40.34 H new ATOM 0 HE3 MET A 71 34.679 28.846 -25.893 1.00 40.34 H new ATOM 1088 N VAL A 72 36.520 25.098 -23.183 1.00 63.22 N ATOM 1089 CA VAL A 72 36.365 25.112 -21.738 1.00 20.35 C ATOM 1090 C VAL A 72 37.036 26.341 -21.136 1.00 74.04 C ATOM 1091 O VAL A 72 38.165 26.689 -21.491 1.00 55.44 O ATOM 1092 CB VAL A 72 36.933 23.820 -21.096 1.00 25.34 C ATOM 1093 CG1 VAL A 72 38.411 23.642 -21.423 1.00 15.15 C ATOM 1094 CG2 VAL A 72 36.712 23.818 -19.589 1.00 1.10 C ATOM 0 H VAL A 72 37.379 25.531 -23.521 1.00 63.22 H new ATOM 0 HA VAL A 72 35.298 25.155 -21.522 1.00 20.35 H new ATOM 0 HB VAL A 72 36.392 22.975 -21.522 1.00 25.34 H new ATOM 0 HG11 VAL A 72 38.779 22.727 -20.958 1.00 15.15 H new ATOM 0 HG12 VAL A 72 38.539 23.577 -22.503 1.00 15.15 H new ATOM 0 HG13 VAL A 72 38.973 24.494 -21.041 1.00 15.15 H new ATOM 0 HG21 VAL A 72 37.119 22.901 -19.163 1.00 1.10 H new ATOM 0 HG22 VAL A 72 37.214 24.678 -19.146 1.00 1.10 H new ATOM 0 HG23 VAL A 72 35.644 23.873 -19.378 1.00 1.10 H new ATOM 1104 N GLU A 73 36.324 27.007 -20.245 1.00 42.10 N ATOM 1105 CA GLU A 73 36.832 28.206 -19.602 1.00 31.53 C ATOM 1106 C GLU A 73 37.226 27.902 -18.162 1.00 63.01 C ATOM 1107 O GLU A 73 36.932 26.820 -17.651 1.00 71.10 O ATOM 1108 CB GLU A 73 35.777 29.314 -19.654 1.00 14.44 C ATOM 1109 CG GLU A 73 35.375 29.702 -21.074 1.00 61.51 C ATOM 1110 CD GLU A 73 36.537 30.252 -21.876 1.00 54.52 C ATOM 1111 OE1 GLU A 73 36.823 31.460 -21.760 1.00 45.14 O ATOM 1112 OE2 GLU A 73 37.179 29.483 -22.620 1.00 71.22 O ATOM 0 H GLU A 73 35.386 26.736 -19.949 1.00 42.10 H new ATOM 0 HA GLU A 73 37.719 28.549 -20.135 1.00 31.53 H new ATOM 0 HB2 GLU A 73 34.891 28.987 -19.110 1.00 14.44 H new ATOM 0 HB3 GLU A 73 36.160 30.195 -19.139 1.00 14.44 H new ATOM 0 HG2 GLU A 73 34.967 28.829 -21.584 1.00 61.51 H new ATOM 0 HG3 GLU A 73 34.581 30.448 -21.033 1.00 61.51 H new ATOM 1119 N ASP A 74 37.898 28.841 -17.518 1.00 54.20 N ATOM 1120 CA ASP A 74 38.337 28.645 -16.142 1.00 62.35 C ATOM 1121 C ASP A 74 37.163 28.760 -15.181 1.00 53.00 C ATOM 1122 O ASP A 74 36.694 27.719 -14.680 1.00 23.45 O ATOM 1123 CB ASP A 74 39.416 29.656 -15.762 1.00 30.50 C ATOM 1124 CG ASP A 74 39.975 29.402 -14.377 1.00 30.14 C ATOM 1125 OD1 ASP A 74 40.858 28.528 -14.241 1.00 50.44 O ATOM 1126 OD2 ASP A 74 39.542 30.078 -13.420 1.00 23.10 O ATOM 1127 OXT ASP A 74 36.698 29.894 -14.945 1.00 0.00 O ATOM 0 H ASP A 74 38.152 29.743 -17.921 1.00 54.20 H new ATOM 0 HA ASP A 74 38.758 27.642 -16.069 1.00 62.35 H new ATOM 0 HB2 ASP A 74 40.225 29.614 -16.492 1.00 30.50 H new ATOM 0 HB3 ASP A 74 39.000 30.663 -15.805 1.00 30.50 H new TER 1132 ASP A 74