USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 633 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 75 SER OG : rot -59:sc= 0.195 USER MOD Set 1.2: A 79 GLN : amide:sc= 0.139 X(o=0.33,f=0) USER MOD Set 2.1: A 32 TYR OH : rot -38:sc= -0.412 USER MOD Set 2.2: A 73 SER OG : rot 72:sc= 1.2 USER MOD Single : A 7 ASN : amide:sc= 0.0209 X(o=0.021,f=-0.36) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc=-0.00131 (180deg=-0.0941) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0297 (180deg=-0.26) USER MOD Single : A 15 TYR OH : rot 180:sc= 0.00986 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.7!) USER MOD Single : A 23 GLN : amide:sc= -0.558 K(o=-0.56,f=-4.6!) USER MOD Single : A 27 MET CE :methyl 176:sc= -1.17 (180deg=-1.22) USER MOD Single : A 33 ASN : amide:sc= 0.0839 X(o=0.084,f=-0.13) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0.383 (180deg=0.364) USER MOD Single : A 39 ASN : amide:sc= -0.245 K(o=-0.24,f=-5!) USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= 0.678 (180deg=0.273) USER MOD Single : A 41 MET CE :methyl 177:sc= -2.46 (180deg=-2.55!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000218) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -0.0381 (180deg=-0.238) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00146) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 4 -7.187 -12.448 4.119 1.00 53.25 N ATOM 29 CA PRO A 4 -6.370 -11.336 3.555 1.00 31.53 C ATOM 30 C PRO A 4 -7.046 -10.651 2.346 1.00 71.32 C ATOM 31 O PRO A 4 -7.006 -9.426 2.228 1.00 54.30 O ATOM 32 CB PRO A 4 -5.025 -12.021 3.166 1.00 2.55 C ATOM 33 CG PRO A 4 -5.301 -13.501 3.224 1.00 4.35 C ATOM 34 CD PRO A 4 -6.355 -13.674 4.297 1.00 34.22 C ATOM 0 HA PRO A 4 -6.236 -10.524 4.270 1.00 31.53 H new ATOM 0 HB2 PRO A 4 -4.704 -11.720 2.169 1.00 2.55 H new ATOM 0 HB3 PRO A 4 -4.228 -11.742 3.855 1.00 2.55 H new ATOM 0 HG2 PRO A 4 -5.655 -13.872 2.262 1.00 4.35 H new ATOM 0 HG3 PRO A 4 -4.397 -14.060 3.468 1.00 4.35 H new ATOM 0 HD2 PRO A 4 -6.936 -14.585 4.154 1.00 34.22 H new ATOM 0 HD3 PRO A 4 -5.917 -13.728 5.294 1.00 34.22 H new ATOM 42 N ASP A 5 -7.727 -11.462 1.504 1.00 32.13 N ATOM 43 CA ASP A 5 -8.471 -10.979 0.321 1.00 65.25 C ATOM 44 C ASP A 5 -9.696 -10.129 0.723 1.00 12.41 C ATOM 45 O ASP A 5 -9.997 -9.113 0.078 1.00 31.43 O ATOM 46 CB ASP A 5 -8.893 -12.174 -0.588 1.00 74.32 C ATOM 47 CG ASP A 5 -9.584 -11.726 -1.890 1.00 3.11 C ATOM 48 OD1 ASP A 5 -8.916 -11.089 -2.730 1.00 73.13 O ATOM 49 OD2 ASP A 5 -10.789 -11.971 -2.074 1.00 3.01 O ATOM 0 H ASP A 5 -7.775 -12.473 1.628 1.00 32.13 H new ATOM 0 HA ASP A 5 -7.803 -10.333 -0.248 1.00 65.25 H new ATOM 0 HB2 ASP A 5 -8.011 -12.764 -0.836 1.00 74.32 H new ATOM 0 HB3 ASP A 5 -9.566 -12.826 -0.032 1.00 74.32 H new ATOM 54 N GLU A 6 -10.379 -10.533 1.805 1.00 62.10 N ATOM 55 CA GLU A 6 -11.547 -9.799 2.333 1.00 10.44 C ATOM 56 C GLU A 6 -11.112 -8.453 2.951 1.00 31.03 C ATOM 57 O GLU A 6 -11.826 -7.445 2.844 1.00 34.23 O ATOM 58 CB GLU A 6 -12.298 -10.655 3.392 1.00 60.34 C ATOM 59 CG GLU A 6 -12.732 -12.055 2.908 1.00 31.22 C ATOM 60 CD GLU A 6 -13.578 -12.037 1.617 1.00 55.55 C ATOM 61 OE1 GLU A 6 -14.786 -11.722 1.688 1.00 62.13 O ATOM 62 OE2 GLU A 6 -13.040 -12.340 0.533 1.00 22.42 O ATOM 0 H GLU A 6 -10.143 -11.370 2.337 1.00 62.10 H new ATOM 0 HA GLU A 6 -12.224 -9.598 1.502 1.00 10.44 H new ATOM 0 HB2 GLU A 6 -11.656 -10.771 4.265 1.00 60.34 H new ATOM 0 HB3 GLU A 6 -13.183 -10.109 3.718 1.00 60.34 H new ATOM 0 HG2 GLU A 6 -11.843 -12.662 2.739 1.00 31.22 H new ATOM 0 HG3 GLU A 6 -13.304 -12.541 3.699 1.00 31.22 H new ATOM 69 N ASN A 7 -9.925 -8.472 3.592 1.00 44.41 N ATOM 70 CA ASN A 7 -9.321 -7.297 4.244 1.00 41.23 C ATOM 71 C ASN A 7 -8.935 -6.238 3.201 1.00 61.42 C ATOM 72 O ASN A 7 -9.098 -5.042 3.457 1.00 60.53 O ATOM 73 CB ASN A 7 -8.093 -7.724 5.092 1.00 54.32 C ATOM 74 CG ASN A 7 -8.450 -8.697 6.224 1.00 53.43 C ATOM 75 OD1 ASN A 7 -9.535 -8.629 6.806 1.00 61.15 O ATOM 76 ND2 ASN A 7 -7.554 -9.626 6.522 1.00 23.10 N ATOM 0 H ASN A 7 -9.355 -9.314 3.671 1.00 44.41 H new ATOM 0 HA ASN A 7 -10.057 -6.851 4.913 1.00 41.23 H new ATOM 0 HB2 ASN A 7 -7.354 -8.190 4.440 1.00 54.32 H new ATOM 0 HB3 ASN A 7 -7.627 -6.836 5.518 1.00 54.32 H new ATOM 0 HD21 ASN A 7 -7.753 -10.311 7.251 1.00 23.10 H new ATOM 0 HD22 ASN A 7 -6.665 -9.656 6.022 1.00 23.10 H new ATOM 83 N ILE A 8 -8.473 -6.697 2.010 1.00 52.45 N ATOM 84 CA ILE A 8 -8.161 -5.819 0.857 1.00 23.50 C ATOM 85 C ILE A 8 -9.362 -4.921 0.529 1.00 73.21 C ATOM 86 O ILE A 8 -9.205 -3.711 0.371 1.00 52.55 O ATOM 87 CB ILE A 8 -7.798 -6.662 -0.423 1.00 62.31 C ATOM 88 CG1 ILE A 8 -6.522 -7.510 -0.195 1.00 21.12 C ATOM 89 CG2 ILE A 8 -7.637 -5.768 -1.676 1.00 71.30 C ATOM 90 CD1 ILE A 8 -6.266 -8.541 -1.271 1.00 44.14 C ATOM 0 H ILE A 8 -8.307 -7.686 1.824 1.00 52.45 H new ATOM 0 HA ILE A 8 -7.303 -5.208 1.137 1.00 23.50 H new ATOM 0 HB ILE A 8 -8.633 -7.339 -0.603 1.00 62.31 H new ATOM 0 HG12 ILE A 8 -5.662 -6.843 -0.133 1.00 21.12 H new ATOM 0 HG13 ILE A 8 -6.602 -8.016 0.767 1.00 21.12 H new ATOM 0 HG21 ILE A 8 -7.387 -6.389 -2.536 1.00 71.30 H new ATOM 0 HG22 ILE A 8 -8.571 -5.240 -1.869 1.00 71.30 H new ATOM 0 HG23 ILE A 8 -6.840 -5.044 -1.507 1.00 71.30 H new ATOM 0 HD11 ILE A 8 -5.355 -9.092 -1.038 1.00 44.14 H new ATOM 0 HD12 ILE A 8 -7.107 -9.233 -1.319 1.00 44.14 H new ATOM 0 HD13 ILE A 8 -6.152 -8.042 -2.233 1.00 44.14 H new ATOM 102 N ALA A 9 -10.553 -5.547 0.470 1.00 10.13 N ATOM 103 CA ALA A 9 -11.819 -4.873 0.139 1.00 60.50 C ATOM 104 C ALA A 9 -12.230 -3.845 1.210 1.00 50.24 C ATOM 105 O ALA A 9 -12.884 -2.844 0.896 1.00 5.21 O ATOM 106 CB ALA A 9 -12.918 -5.920 -0.075 1.00 51.41 C ATOM 0 H ALA A 9 -10.662 -6.545 0.653 1.00 10.13 H new ATOM 0 HA ALA A 9 -11.673 -4.313 -0.784 1.00 60.50 H new ATOM 0 HB1 ALA A 9 -13.855 -5.419 -0.320 1.00 51.41 H new ATOM 0 HB2 ALA A 9 -12.635 -6.582 -0.894 1.00 51.41 H new ATOM 0 HB3 ALA A 9 -13.046 -6.504 0.836 1.00 51.41 H new ATOM 112 N LYS A 10 -11.842 -4.107 2.470 1.00 30.51 N ATOM 113 CA LYS A 10 -12.070 -3.170 3.583 1.00 21.15 C ATOM 114 C LYS A 10 -11.181 -1.919 3.423 1.00 72.20 C ATOM 115 O LYS A 10 -11.647 -0.786 3.599 1.00 52.41 O ATOM 116 CB LYS A 10 -11.789 -3.871 4.942 1.00 74.55 C ATOM 117 CG LYS A 10 -12.636 -5.139 5.260 1.00 42.53 C ATOM 118 CD LYS A 10 -14.109 -4.850 5.677 1.00 71.43 C ATOM 119 CE LYS A 10 -15.060 -4.544 4.500 1.00 14.11 C ATOM 120 NZ LYS A 10 -15.223 -5.697 3.568 1.00 21.04 N ATOM 0 H LYS A 10 -11.366 -4.966 2.744 1.00 30.51 H new ATOM 0 HA LYS A 10 -13.113 -2.854 3.566 1.00 21.15 H new ATOM 0 HB2 LYS A 10 -10.735 -4.149 4.971 1.00 74.55 H new ATOM 0 HB3 LYS A 10 -11.949 -3.145 5.739 1.00 74.55 H new ATOM 0 HG2 LYS A 10 -12.641 -5.785 4.382 1.00 42.53 H new ATOM 0 HG3 LYS A 10 -12.148 -5.694 6.061 1.00 42.53 H new ATOM 0 HD2 LYS A 10 -14.494 -5.711 6.224 1.00 71.43 H new ATOM 0 HD3 LYS A 10 -14.119 -4.005 6.365 1.00 71.43 H new ATOM 0 HE2 LYS A 10 -16.036 -4.261 4.893 1.00 14.11 H new ATOM 0 HE3 LYS A 10 -14.679 -3.687 3.945 1.00 14.11 H new ATOM 0 HZ1 LYS A 10 -15.994 -5.497 2.899 1.00 21.04 H new ATOM 0 HZ2 LYS A 10 -14.338 -5.846 3.042 1.00 21.04 H new ATOM 0 HZ3 LYS A 10 -15.450 -6.554 4.112 1.00 21.04 H new ATOM 134 N PHE A 11 -9.892 -2.148 3.092 1.00 54.11 N ATOM 135 CA PHE A 11 -8.909 -1.071 2.836 1.00 55.33 C ATOM 136 C PHE A 11 -9.223 -0.342 1.511 1.00 10.44 C ATOM 137 O PHE A 11 -8.842 0.812 1.329 1.00 42.15 O ATOM 138 CB PHE A 11 -7.463 -1.636 2.809 1.00 33.35 C ATOM 139 CG PHE A 11 -7.037 -2.372 4.084 1.00 25.22 C ATOM 140 CD1 PHE A 11 -7.196 -1.779 5.340 1.00 1.14 C ATOM 141 CD2 PHE A 11 -6.483 -3.657 4.031 1.00 4.14 C ATOM 142 CE1 PHE A 11 -6.812 -2.444 6.490 1.00 12.15 C ATOM 143 CE2 PHE A 11 -6.102 -4.316 5.183 1.00 22.34 C ATOM 144 CZ PHE A 11 -6.267 -3.711 6.411 1.00 61.45 C ATOM 0 H PHE A 11 -9.502 -3.086 2.994 1.00 54.11 H new ATOM 0 HA PHE A 11 -8.983 -0.352 3.652 1.00 55.33 H new ATOM 0 HB2 PHE A 11 -7.370 -2.318 1.964 1.00 33.35 H new ATOM 0 HB3 PHE A 11 -6.770 -0.814 2.632 1.00 33.35 H new ATOM 0 HD1 PHE A 11 -7.624 -0.790 5.413 1.00 1.14 H new ATOM 0 HD2 PHE A 11 -6.352 -4.140 3.074 1.00 4.14 H new ATOM 0 HE1 PHE A 11 -6.939 -1.971 7.453 1.00 12.15 H new ATOM 0 HE2 PHE A 11 -5.674 -5.306 5.122 1.00 22.34 H new ATOM 0 HZ PHE A 11 -5.970 -4.228 7.312 1.00 61.45 H new ATOM 154 N GLU A 12 -9.899 -1.055 0.593 1.00 71.34 N ATOM 155 CA GLU A 12 -10.326 -0.529 -0.716 1.00 23.21 C ATOM 156 C GLU A 12 -11.445 0.509 -0.499 1.00 33.03 C ATOM 157 O GLU A 12 -11.444 1.569 -1.128 1.00 12.53 O ATOM 158 CB GLU A 12 -10.804 -1.710 -1.630 1.00 14.10 C ATOM 159 CG GLU A 12 -10.704 -1.486 -3.161 1.00 50.02 C ATOM 160 CD GLU A 12 -11.551 -0.321 -3.714 1.00 14.23 C ATOM 161 OE1 GLU A 12 -12.794 -0.424 -3.696 1.00 72.43 O ATOM 162 OE2 GLU A 12 -10.980 0.700 -4.174 1.00 15.42 O ATOM 0 H GLU A 12 -10.168 -2.028 0.742 1.00 71.34 H new ATOM 0 HA GLU A 12 -9.492 -0.038 -1.218 1.00 23.21 H new ATOM 0 HB2 GLU A 12 -10.221 -2.595 -1.376 1.00 14.10 H new ATOM 0 HB3 GLU A 12 -11.843 -1.932 -1.385 1.00 14.10 H new ATOM 0 HG2 GLU A 12 -9.660 -1.308 -3.418 1.00 50.02 H new ATOM 0 HG3 GLU A 12 -11.005 -2.404 -3.666 1.00 50.02 H new ATOM 169 N LYS A 13 -12.385 0.186 0.415 1.00 24.21 N ATOM 170 CA LYS A 13 -13.477 1.098 0.796 1.00 43.45 C ATOM 171 C LYS A 13 -12.914 2.330 1.536 1.00 74.33 C ATOM 172 O LYS A 13 -13.392 3.453 1.343 1.00 44.04 O ATOM 173 CB LYS A 13 -14.531 0.365 1.670 1.00 61.44 C ATOM 174 CG LYS A 13 -15.768 1.227 1.999 1.00 72.30 C ATOM 175 CD LYS A 13 -16.830 0.492 2.843 1.00 32.11 C ATOM 176 CE LYS A 13 -18.093 1.349 3.059 1.00 74.33 C ATOM 177 NZ LYS A 13 -18.745 1.705 1.764 1.00 22.33 N ATOM 0 H LYS A 13 -12.406 -0.709 0.905 1.00 24.21 H new ATOM 0 HA LYS A 13 -13.973 1.438 -0.113 1.00 43.45 H new ATOM 0 HB2 LYS A 13 -14.855 -0.538 1.153 1.00 61.44 H new ATOM 0 HB3 LYS A 13 -14.061 0.048 2.601 1.00 61.44 H new ATOM 0 HG2 LYS A 13 -15.445 2.120 2.535 1.00 72.30 H new ATOM 0 HG3 LYS A 13 -16.225 1.562 1.068 1.00 72.30 H new ATOM 0 HD2 LYS A 13 -17.105 -0.440 2.348 1.00 32.11 H new ATOM 0 HD3 LYS A 13 -16.403 0.226 3.810 1.00 32.11 H new ATOM 0 HE2 LYS A 13 -18.800 0.805 3.685 1.00 74.33 H new ATOM 0 HE3 LYS A 13 -17.828 2.260 3.596 1.00 74.33 H new ATOM 0 HZ1 LYS A 13 -19.702 2.070 1.946 1.00 22.33 H new ATOM 0 HZ2 LYS A 13 -18.182 2.434 1.281 1.00 22.33 H new ATOM 0 HZ3 LYS A 13 -18.806 0.859 1.162 1.00 22.33 H new ATOM 191 N ALA A 14 -11.881 2.094 2.369 1.00 2.24 N ATOM 192 CA ALA A 14 -11.177 3.165 3.100 1.00 54.12 C ATOM 193 C ALA A 14 -10.353 4.052 2.142 1.00 44.45 C ATOM 194 O ALA A 14 -10.158 5.247 2.410 1.00 71.33 O ATOM 195 CB ALA A 14 -10.282 2.559 4.190 1.00 12.33 C ATOM 0 H ALA A 14 -11.513 1.161 2.553 1.00 2.24 H new ATOM 0 HA ALA A 14 -11.924 3.802 3.574 1.00 54.12 H new ATOM 0 HB1 ALA A 14 -9.767 3.358 4.724 1.00 12.33 H new ATOM 0 HB2 ALA A 14 -10.895 1.991 4.890 1.00 12.33 H new ATOM 0 HB3 ALA A 14 -9.548 1.897 3.731 1.00 12.33 H new ATOM 201 N TYR A 15 -9.879 3.441 1.034 1.00 42.31 N ATOM 202 CA TYR A 15 -9.152 4.137 -0.042 1.00 51.24 C ATOM 203 C TYR A 15 -10.093 5.087 -0.773 1.00 12.42 C ATOM 204 O TYR A 15 -9.745 6.238 -1.028 1.00 34.10 O ATOM 205 CB TYR A 15 -8.559 3.110 -1.050 1.00 21.34 C ATOM 206 CG TYR A 15 -7.845 3.734 -2.265 1.00 75.51 C ATOM 207 CD1 TYR A 15 -6.585 4.300 -2.131 1.00 5.55 C ATOM 208 CD2 TYR A 15 -8.436 3.758 -3.536 1.00 20.40 C ATOM 209 CE1 TYR A 15 -5.935 4.865 -3.204 1.00 30.41 C ATOM 210 CE2 TYR A 15 -7.783 4.321 -4.613 1.00 53.42 C ATOM 211 CZ TYR A 15 -6.530 4.872 -4.443 1.00 74.24 C ATOM 212 OH TYR A 15 -5.866 5.427 -5.513 1.00 44.33 O ATOM 0 H TYR A 15 -9.993 2.442 0.863 1.00 42.31 H new ATOM 0 HA TYR A 15 -8.335 4.706 0.402 1.00 51.24 H new ATOM 0 HB2 TYR A 15 -7.853 2.469 -0.521 1.00 21.34 H new ATOM 0 HB3 TYR A 15 -9.364 2.469 -1.409 1.00 21.34 H new ATOM 0 HD1 TYR A 15 -6.104 4.297 -1.164 1.00 5.55 H new ATOM 0 HD2 TYR A 15 -9.418 3.329 -3.674 1.00 20.40 H new ATOM 0 HE1 TYR A 15 -4.957 5.303 -3.073 1.00 30.41 H new ATOM 0 HE2 TYR A 15 -8.251 4.330 -5.586 1.00 53.42 H new ATOM 0 HH TYR A 15 -6.421 5.352 -6.317 1.00 44.33 H new ATOM 222 N LYS A 16 -11.277 4.562 -1.115 1.00 44.42 N ATOM 223 CA LYS A 16 -12.311 5.303 -1.839 1.00 43.04 C ATOM 224 C LYS A 16 -12.836 6.476 -1.010 1.00 15.20 C ATOM 225 O LYS A 16 -12.998 7.571 -1.538 1.00 75.10 O ATOM 226 CB LYS A 16 -13.456 4.341 -2.228 1.00 32.22 C ATOM 227 CG LYS A 16 -13.096 3.363 -3.367 1.00 51.13 C ATOM 228 CD LYS A 16 -12.877 4.065 -4.731 1.00 12.23 C ATOM 229 CE LYS A 16 -14.130 4.812 -5.209 1.00 54.15 C ATOM 230 NZ LYS A 16 -13.997 5.305 -6.594 1.00 41.41 N ATOM 0 H LYS A 16 -11.544 3.603 -0.894 1.00 44.42 H new ATOM 0 HA LYS A 16 -11.874 5.721 -2.746 1.00 43.04 H new ATOM 0 HB2 LYS A 16 -13.748 3.767 -1.349 1.00 32.22 H new ATOM 0 HB3 LYS A 16 -14.324 4.928 -2.528 1.00 32.22 H new ATOM 0 HG2 LYS A 16 -12.191 2.819 -3.097 1.00 51.13 H new ATOM 0 HG3 LYS A 16 -13.893 2.626 -3.469 1.00 51.13 H new ATOM 0 HD2 LYS A 16 -12.048 4.767 -4.647 1.00 12.23 H new ATOM 0 HD3 LYS A 16 -12.592 3.323 -5.477 1.00 12.23 H new ATOM 0 HE2 LYS A 16 -14.992 4.148 -5.144 1.00 54.15 H new ATOM 0 HE3 LYS A 16 -14.324 5.653 -4.544 1.00 54.15 H new ATOM 0 HZ1 LYS A 16 -14.868 5.802 -6.871 1.00 41.41 H new ATOM 0 HZ2 LYS A 16 -13.191 5.959 -6.654 1.00 41.41 H new ATOM 0 HZ3 LYS A 16 -13.839 4.501 -7.235 1.00 41.41 H new ATOM 244 N LYS A 17 -13.065 6.224 0.289 1.00 43.43 N ATOM 245 CA LYS A 17 -13.507 7.245 1.249 1.00 31.41 C ATOM 246 C LYS A 17 -12.502 8.409 1.296 1.00 71.42 C ATOM 247 O LYS A 17 -12.887 9.581 1.229 1.00 44.14 O ATOM 248 CB LYS A 17 -13.694 6.605 2.657 1.00 23.34 C ATOM 249 CG LYS A 17 -14.059 7.600 3.786 1.00 3.01 C ATOM 250 CD LYS A 17 -15.383 8.369 3.521 1.00 62.33 C ATOM 251 CE LYS A 17 -15.658 9.444 4.586 1.00 40.12 C ATOM 252 NZ LYS A 17 -16.868 10.253 4.285 1.00 70.44 N ATOM 0 H LYS A 17 -12.947 5.300 0.704 1.00 43.43 H new ATOM 0 HA LYS A 17 -14.467 7.647 0.925 1.00 31.41 H new ATOM 0 HB2 LYS A 17 -14.476 5.848 2.594 1.00 23.34 H new ATOM 0 HB3 LYS A 17 -12.773 6.090 2.931 1.00 23.34 H new ATOM 0 HG2 LYS A 17 -14.144 7.056 4.727 1.00 3.01 H new ATOM 0 HG3 LYS A 17 -13.247 8.318 3.905 1.00 3.01 H new ATOM 0 HD2 LYS A 17 -15.337 8.838 2.538 1.00 62.33 H new ATOM 0 HD3 LYS A 17 -16.213 7.662 3.499 1.00 62.33 H new ATOM 0 HE2 LYS A 17 -15.779 8.965 5.557 1.00 40.12 H new ATOM 0 HE3 LYS A 17 -14.794 10.104 4.662 1.00 40.12 H new ATOM 0 HZ1 LYS A 17 -17.007 10.962 5.034 1.00 70.44 H new ATOM 0 HZ2 LYS A 17 -16.745 10.734 3.371 1.00 70.44 H new ATOM 0 HZ3 LYS A 17 -17.700 9.630 4.239 1.00 70.44 H new ATOM 266 N ALA A 18 -11.215 8.052 1.364 1.00 62.00 N ATOM 267 CA ALA A 18 -10.106 9.007 1.362 1.00 43.32 C ATOM 268 C ALA A 18 -10.030 9.781 0.034 1.00 5.14 C ATOM 269 O ALA A 18 -9.824 10.985 0.038 1.00 15.33 O ATOM 270 CB ALA A 18 -8.803 8.259 1.612 1.00 31.52 C ATOM 0 H ALA A 18 -10.913 7.080 1.423 1.00 62.00 H new ATOM 0 HA ALA A 18 -10.273 9.736 2.155 1.00 43.32 H new ATOM 0 HB1 ALA A 18 -7.972 8.965 1.612 1.00 31.52 H new ATOM 0 HB2 ALA A 18 -8.852 7.756 2.578 1.00 31.52 H new ATOM 0 HB3 ALA A 18 -8.651 7.520 0.825 1.00 31.52 H new ATOM 276 N GLU A 19 -10.233 9.061 -1.081 1.00 24.33 N ATOM 277 CA GLU A 19 -10.068 9.592 -2.447 1.00 22.33 C ATOM 278 C GLU A 19 -11.107 10.698 -2.720 1.00 41.32 C ATOM 279 O GLU A 19 -10.778 11.741 -3.306 1.00 71.43 O ATOM 280 CB GLU A 19 -10.180 8.422 -3.477 1.00 43.40 C ATOM 281 CG GLU A 19 -9.447 8.629 -4.828 1.00 12.44 C ATOM 282 CD GLU A 19 -10.019 9.741 -5.734 1.00 74.03 C ATOM 283 OE1 GLU A 19 -11.163 9.603 -6.217 1.00 50.24 O ATOM 284 OE2 GLU A 19 -9.322 10.750 -5.982 1.00 54.51 O ATOM 0 H GLU A 19 -10.520 8.082 -1.061 1.00 24.33 H new ATOM 0 HA GLU A 19 -9.081 10.043 -2.551 1.00 22.33 H new ATOM 0 HB2 GLU A 19 -9.791 7.517 -3.011 1.00 43.40 H new ATOM 0 HB3 GLU A 19 -11.236 8.246 -3.683 1.00 43.40 H new ATOM 0 HG2 GLU A 19 -8.401 8.855 -4.622 1.00 12.44 H new ATOM 0 HG3 GLU A 19 -9.468 7.689 -5.380 1.00 12.44 H new ATOM 291 N GLU A 20 -12.345 10.461 -2.253 1.00 63.51 N ATOM 292 CA GLU A 20 -13.452 11.413 -2.418 1.00 33.23 C ATOM 293 C GLU A 20 -13.220 12.690 -1.577 1.00 44.41 C ATOM 294 O GLU A 20 -13.681 13.769 -1.946 1.00 53.44 O ATOM 295 CB GLU A 20 -14.809 10.753 -2.047 1.00 15.44 C ATOM 296 CG GLU A 20 -15.151 9.460 -2.831 1.00 74.20 C ATOM 297 CD GLU A 20 -15.091 9.608 -4.363 1.00 73.42 C ATOM 298 OE1 GLU A 20 -16.018 10.213 -4.949 1.00 45.23 O ATOM 299 OE2 GLU A 20 -14.118 9.129 -4.989 1.00 21.13 O ATOM 0 H GLU A 20 -12.603 9.610 -1.754 1.00 63.51 H new ATOM 0 HA GLU A 20 -13.487 11.703 -3.468 1.00 33.23 H new ATOM 0 HB2 GLU A 20 -14.803 10.522 -0.982 1.00 15.44 H new ATOM 0 HB3 GLU A 20 -15.605 11.479 -2.211 1.00 15.44 H new ATOM 0 HG2 GLU A 20 -14.461 8.673 -2.527 1.00 74.20 H new ATOM 0 HG3 GLU A 20 -16.152 9.133 -2.549 1.00 74.20 H new ATOM 306 N LEU A 21 -12.502 12.541 -0.445 1.00 22.45 N ATOM 307 CA LEU A 21 -12.133 13.669 0.445 1.00 34.23 C ATOM 308 C LEU A 21 -10.808 14.349 0.009 1.00 63.43 C ATOM 309 O LEU A 21 -10.445 15.398 0.560 1.00 61.11 O ATOM 310 CB LEU A 21 -11.993 13.166 1.905 1.00 31.22 C ATOM 311 CG LEU A 21 -13.259 12.552 2.576 1.00 4.11 C ATOM 312 CD1 LEU A 21 -12.924 12.010 3.985 1.00 43.32 C ATOM 313 CD2 LEU A 21 -14.416 13.572 2.635 1.00 70.32 C ATOM 0 H LEU A 21 -12.160 11.637 -0.119 1.00 22.45 H new ATOM 0 HA LEU A 21 -12.930 14.410 0.375 1.00 34.23 H new ATOM 0 HB2 LEU A 21 -11.202 12.416 1.929 1.00 31.22 H new ATOM 0 HB3 LEU A 21 -11.658 14.002 2.519 1.00 31.22 H new ATOM 0 HG LEU A 21 -13.590 11.716 1.960 1.00 4.11 H new ATOM 0 HD11 LEU A 21 -13.822 11.586 4.435 1.00 43.32 H new ATOM 0 HD12 LEU A 21 -12.159 11.238 3.905 1.00 43.32 H new ATOM 0 HD13 LEU A 21 -12.555 12.824 4.609 1.00 43.32 H new ATOM 0 HD21 LEU A 21 -15.283 13.112 3.109 1.00 70.32 H new ATOM 0 HD22 LEU A 21 -14.105 14.442 3.214 1.00 70.32 H new ATOM 0 HD23 LEU A 21 -14.678 13.884 1.624 1.00 70.32 H new ATOM 325 N ASN A 22 -10.101 13.721 -0.962 1.00 41.54 N ATOM 326 CA ASN A 22 -8.769 14.160 -1.470 1.00 21.44 C ATOM 327 C ASN A 22 -7.659 13.986 -0.407 1.00 22.41 C ATOM 328 O ASN A 22 -6.646 14.691 -0.430 1.00 44.25 O ATOM 329 CB ASN A 22 -8.782 15.626 -2.010 1.00 12.34 C ATOM 330 CG ASN A 22 -9.677 15.851 -3.227 1.00 75.12 C ATOM 331 OD1 ASN A 22 -10.723 15.221 -3.372 1.00 24.43 O ATOM 332 ND2 ASN A 22 -9.272 16.748 -4.118 1.00 1.30 N ATOM 0 H ASN A 22 -10.443 12.879 -1.425 1.00 41.54 H new ATOM 0 HA ASN A 22 -8.543 13.505 -2.311 1.00 21.44 H new ATOM 0 HB2 ASN A 22 -9.107 16.291 -1.209 1.00 12.34 H new ATOM 0 HB3 ASN A 22 -7.762 15.913 -2.268 1.00 12.34 H new ATOM 0 HD21 ASN A 22 -9.833 16.930 -4.950 1.00 1.30 H new ATOM 0 HD22 ASN A 22 -8.399 17.255 -3.971 1.00 1.30 H new ATOM 339 N GLN A 23 -7.849 13.022 0.500 1.00 71.23 N ATOM 340 CA GLN A 23 -6.886 12.710 1.567 1.00 51.42 C ATOM 341 C GLN A 23 -5.829 11.736 1.048 1.00 13.50 C ATOM 342 O GLN A 23 -6.077 10.524 0.975 1.00 24.11 O ATOM 343 CB GLN A 23 -7.602 12.115 2.807 1.00 65.54 C ATOM 344 CG GLN A 23 -8.752 12.962 3.386 1.00 62.32 C ATOM 345 CD GLN A 23 -8.370 14.358 3.903 1.00 13.44 C ATOM 346 OE1 GLN A 23 -7.445 15.013 3.425 1.00 42.30 O ATOM 347 NE2 GLN A 23 -9.073 14.811 4.924 1.00 72.35 N ATOM 0 H GLN A 23 -8.680 12.431 0.516 1.00 71.23 H new ATOM 0 HA GLN A 23 -6.399 13.637 1.871 1.00 51.42 H new ATOM 0 HB2 GLN A 23 -7.996 11.135 2.540 1.00 65.54 H new ATOM 0 HB3 GLN A 23 -6.861 11.958 3.591 1.00 65.54 H new ATOM 0 HG2 GLN A 23 -9.514 13.078 2.615 1.00 62.32 H new ATOM 0 HG3 GLN A 23 -9.209 12.406 4.205 1.00 62.32 H new ATOM 0 HE21 GLN A 23 -9.836 14.252 5.306 1.00 72.35 H new ATOM 0 HE22 GLN A 23 -8.853 15.720 5.331 1.00 72.35 H new ATOM 356 N GLY A 24 -4.671 12.293 0.657 1.00 54.31 N ATOM 357 CA GLY A 24 -3.525 11.510 0.224 1.00 5.10 C ATOM 358 C GLY A 24 -3.079 10.505 1.278 1.00 30.41 C ATOM 359 O GLY A 24 -2.927 9.326 0.966 1.00 45.24 O ATOM 0 H GLY A 24 -4.513 13.300 0.636 1.00 54.31 H new ATOM 0 HA2 GLY A 24 -3.776 10.981 -0.696 1.00 5.10 H new ATOM 0 HA3 GLY A 24 -2.697 12.180 -0.009 1.00 5.10 H new ATOM 363 N GLU A 25 -2.961 10.964 2.544 1.00 22.51 N ATOM 364 CA GLU A 25 -2.423 10.155 3.663 1.00 13.54 C ATOM 365 C GLU A 25 -3.146 8.798 3.787 1.00 51.43 C ATOM 366 O GLU A 25 -2.496 7.757 3.754 1.00 33.11 O ATOM 367 CB GLU A 25 -2.503 10.945 5.006 1.00 73.41 C ATOM 368 CG GLU A 25 -3.899 11.490 5.360 1.00 15.44 C ATOM 369 CD GLU A 25 -4.026 11.986 6.811 1.00 30.33 C ATOM 370 OE1 GLU A 25 -4.315 11.167 7.711 1.00 34.30 O ATOM 371 OE2 GLU A 25 -3.842 13.197 7.056 1.00 41.40 O ATOM 0 H GLU A 25 -3.236 11.907 2.820 1.00 22.51 H new ATOM 0 HA GLU A 25 -1.375 9.950 3.442 1.00 13.54 H new ATOM 0 HB2 GLU A 25 -2.169 10.294 5.813 1.00 73.41 H new ATOM 0 HB3 GLU A 25 -1.804 11.780 4.960 1.00 73.41 H new ATOM 0 HG2 GLU A 25 -4.140 12.310 4.684 1.00 15.44 H new ATOM 0 HG3 GLU A 25 -4.638 10.707 5.188 1.00 15.44 H new ATOM 378 N LEU A 26 -4.494 8.823 3.838 1.00 41.30 N ATOM 379 CA LEU A 26 -5.305 7.614 4.025 1.00 5.01 C ATOM 380 C LEU A 26 -5.296 6.716 2.771 1.00 60.40 C ATOM 381 O LEU A 26 -5.462 5.505 2.893 1.00 55.33 O ATOM 382 CB LEU A 26 -6.747 7.985 4.429 1.00 32.05 C ATOM 383 CG LEU A 26 -6.916 8.604 5.871 1.00 22.20 C ATOM 384 CD1 LEU A 26 -7.294 10.096 5.834 1.00 51.14 C ATOM 385 CD2 LEU A 26 -7.934 7.803 6.708 1.00 14.30 C ATOM 0 H LEU A 26 -5.043 9.678 3.751 1.00 41.30 H new ATOM 0 HA LEU A 26 -4.856 7.039 4.835 1.00 5.01 H new ATOM 0 HB2 LEU A 26 -7.137 8.696 3.701 1.00 32.05 H new ATOM 0 HB3 LEU A 26 -7.365 7.089 4.363 1.00 32.05 H new ATOM 0 HG LEU A 26 -5.941 8.534 6.353 1.00 22.20 H new ATOM 0 HD11 LEU A 26 -7.397 10.470 6.852 1.00 51.14 H new ATOM 0 HD12 LEU A 26 -6.514 10.656 5.319 1.00 51.14 H new ATOM 0 HD13 LEU A 26 -8.239 10.219 5.304 1.00 51.14 H new ATOM 0 HD21 LEU A 26 -8.028 8.254 7.696 1.00 14.30 H new ATOM 0 HD22 LEU A 26 -8.904 7.814 6.210 1.00 14.30 H new ATOM 0 HD23 LEU A 26 -7.591 6.774 6.811 1.00 14.30 H new ATOM 397 N MET A 27 -5.103 7.321 1.577 1.00 30.50 N ATOM 398 CA MET A 27 -4.996 6.561 0.312 1.00 41.14 C ATOM 399 C MET A 27 -3.690 5.758 0.274 1.00 62.31 C ATOM 400 O MET A 27 -3.692 4.591 -0.116 1.00 41.11 O ATOM 401 CB MET A 27 -5.070 7.484 -0.931 1.00 65.50 C ATOM 402 CG MET A 27 -6.430 8.136 -1.193 1.00 40.34 C ATOM 403 SD MET A 27 -6.555 8.830 -2.860 1.00 5.41 S ATOM 404 CE MET A 27 -5.035 9.763 -2.998 1.00 33.34 C ATOM 0 H MET A 27 -5.018 8.331 1.464 1.00 30.50 H new ATOM 0 HA MET A 27 -5.847 5.880 0.279 1.00 41.14 H new ATOM 0 HB2 MET A 27 -4.325 8.272 -0.821 1.00 65.50 H new ATOM 0 HB3 MET A 27 -4.791 6.903 -1.810 1.00 65.50 H new ATOM 0 HG2 MET A 27 -7.218 7.396 -1.051 1.00 40.34 H new ATOM 0 HG3 MET A 27 -6.598 8.925 -0.460 1.00 40.34 H new ATOM 0 HE1 MET A 27 -4.954 10.181 -4.001 1.00 33.34 H new ATOM 0 HE2 MET A 27 -5.037 10.572 -2.267 1.00 33.34 H new ATOM 0 HE3 MET A 27 -4.186 9.106 -2.810 1.00 33.34 H new ATOM 414 N GLY A 28 -2.583 6.412 0.676 1.00 43.05 N ATOM 415 CA GLY A 28 -1.269 5.782 0.728 1.00 3.40 C ATOM 416 C GLY A 28 -1.242 4.631 1.719 1.00 52.34 C ATOM 417 O GLY A 28 -0.701 3.563 1.430 1.00 23.42 O ATOM 0 H GLY A 28 -2.584 7.388 0.971 1.00 43.05 H new ATOM 0 HA2 GLY A 28 -1.000 5.416 -0.263 1.00 3.40 H new ATOM 0 HA3 GLY A 28 -0.520 6.523 1.009 1.00 3.40 H new ATOM 421 N ARG A 29 -1.863 4.862 2.894 1.00 74.13 N ATOM 422 CA ARG A 29 -2.026 3.845 3.947 1.00 24.41 C ATOM 423 C ARG A 29 -2.842 2.659 3.420 1.00 72.10 C ATOM 424 O ARG A 29 -2.465 1.511 3.624 1.00 21.04 O ATOM 425 CB ARG A 29 -2.728 4.457 5.188 1.00 20.50 C ATOM 426 CG ARG A 29 -1.922 5.581 5.873 1.00 4.40 C ATOM 427 CD ARG A 29 -2.761 6.396 6.876 1.00 42.30 C ATOM 428 NE ARG A 29 -2.042 7.601 7.323 1.00 33.53 N ATOM 429 CZ ARG A 29 -2.437 8.435 8.293 1.00 21.11 C ATOM 430 NH1 ARG A 29 -3.563 8.231 8.968 1.00 22.01 N ATOM 431 NH2 ARG A 29 -1.696 9.495 8.575 1.00 33.02 N ATOM 0 H ARG A 29 -2.267 5.766 3.138 1.00 74.13 H new ATOM 0 HA ARG A 29 -1.037 3.493 4.240 1.00 24.41 H new ATOM 0 HB2 ARG A 29 -3.698 4.851 4.886 1.00 20.50 H new ATOM 0 HB3 ARG A 29 -2.917 3.665 5.913 1.00 20.50 H new ATOM 0 HG2 ARG A 29 -1.068 5.145 6.392 1.00 4.40 H new ATOM 0 HG3 ARG A 29 -1.524 6.251 5.111 1.00 4.40 H new ATOM 0 HD2 ARG A 29 -3.705 6.684 6.414 1.00 42.30 H new ATOM 0 HD3 ARG A 29 -3.005 5.775 7.738 1.00 42.30 H new ATOM 0 HE ARG A 29 -1.164 7.820 6.851 1.00 33.53 H new ATOM 0 HH11 ARG A 29 -4.148 7.424 8.752 1.00 22.01 H new ATOM 0 HH12 ARG A 29 -3.842 8.881 9.703 1.00 22.01 H new ATOM 0 HH21 ARG A 29 -0.835 9.668 8.056 1.00 33.02 H new ATOM 0 HH22 ARG A 29 -1.986 10.138 9.312 1.00 33.02 H new ATOM 445 N ALA A 30 -3.944 2.976 2.714 1.00 22.42 N ATOM 446 CA ALA A 30 -4.874 1.983 2.156 1.00 22.32 C ATOM 447 C ALA A 30 -4.168 1.038 1.178 1.00 2.11 C ATOM 448 O ALA A 30 -4.247 -0.173 1.342 1.00 54.13 O ATOM 449 CB ALA A 30 -6.039 2.688 1.459 1.00 34.42 C ATOM 0 H ALA A 30 -4.214 3.939 2.514 1.00 22.42 H new ATOM 0 HA ALA A 30 -5.257 1.383 2.981 1.00 22.32 H new ATOM 0 HB1 ALA A 30 -6.722 1.944 1.049 1.00 34.42 H new ATOM 0 HB2 ALA A 30 -6.570 3.311 2.179 1.00 34.42 H new ATOM 0 HB3 ALA A 30 -5.656 3.312 0.652 1.00 34.42 H new ATOM 455 N LEU A 31 -3.451 1.620 0.196 1.00 3.35 N ATOM 456 CA LEU A 31 -2.704 0.863 -0.830 1.00 20.51 C ATOM 457 C LEU A 31 -1.571 0.048 -0.205 1.00 10.14 C ATOM 458 O LEU A 31 -1.267 -1.047 -0.675 1.00 25.23 O ATOM 459 CB LEU A 31 -2.130 1.822 -1.897 1.00 33.03 C ATOM 460 CG LEU A 31 -3.186 2.614 -2.712 1.00 35.41 C ATOM 461 CD1 LEU A 31 -2.517 3.648 -3.633 1.00 13.41 C ATOM 462 CD2 LEU A 31 -4.102 1.654 -3.509 1.00 33.21 C ATOM 0 H LEU A 31 -3.373 2.632 0.091 1.00 3.35 H new ATOM 0 HA LEU A 31 -3.402 0.173 -1.304 1.00 20.51 H new ATOM 0 HB2 LEU A 31 -1.467 2.533 -1.404 1.00 33.03 H new ATOM 0 HB3 LEU A 31 -1.519 1.244 -2.590 1.00 33.03 H new ATOM 0 HG LEU A 31 -3.813 3.162 -2.008 1.00 35.41 H new ATOM 0 HD11 LEU A 31 -3.282 4.187 -4.191 1.00 13.41 H new ATOM 0 HD12 LEU A 31 -1.942 4.353 -3.032 1.00 13.41 H new ATOM 0 HD13 LEU A 31 -1.852 3.138 -4.330 1.00 13.41 H new ATOM 0 HD21 LEU A 31 -4.834 2.233 -4.072 1.00 33.21 H new ATOM 0 HD22 LEU A 31 -3.498 1.064 -4.198 1.00 33.21 H new ATOM 0 HD23 LEU A 31 -4.620 0.988 -2.819 1.00 33.21 H new ATOM 474 N TYR A 32 -0.955 0.604 0.856 1.00 54.21 N ATOM 475 CA TYR A 32 0.113 -0.072 1.602 1.00 44.24 C ATOM 476 C TYR A 32 -0.432 -1.352 2.251 1.00 63.41 C ATOM 477 O TYR A 32 0.141 -2.421 2.071 1.00 44.23 O ATOM 478 CB TYR A 32 0.735 0.877 2.669 1.00 53.20 C ATOM 479 CG TYR A 32 1.892 0.248 3.458 1.00 24.01 C ATOM 480 CD1 TYR A 32 3.020 -0.230 2.791 1.00 20.12 C ATOM 481 CD2 TYR A 32 1.851 0.113 4.847 1.00 53.21 C ATOM 482 CE1 TYR A 32 4.059 -0.812 3.475 1.00 63.01 C ATOM 483 CE2 TYR A 32 2.896 -0.470 5.534 1.00 12.32 C ATOM 484 CZ TYR A 32 3.996 -0.928 4.842 1.00 61.10 C ATOM 485 OH TYR A 32 5.035 -1.517 5.525 1.00 14.32 O ATOM 0 H TYR A 32 -1.186 1.530 1.215 1.00 54.21 H new ATOM 0 HA TYR A 32 0.906 -0.346 0.906 1.00 44.24 H new ATOM 0 HB2 TYR A 32 1.093 1.780 2.174 1.00 53.20 H new ATOM 0 HB3 TYR A 32 -0.044 1.184 3.367 1.00 53.20 H new ATOM 0 HD1 TYR A 32 3.077 -0.141 1.716 1.00 20.12 H new ATOM 0 HD2 TYR A 32 0.989 0.470 5.391 1.00 53.21 H new ATOM 0 HE1 TYR A 32 4.923 -1.177 2.940 1.00 63.01 H new ATOM 0 HE2 TYR A 32 2.852 -0.567 6.609 1.00 12.32 H new ATOM 0 HH TYR A 32 5.382 -2.272 5.005 1.00 14.32 H new ATOM 495 N ASN A 33 -1.576 -1.222 2.959 1.00 65.12 N ATOM 496 CA ASN A 33 -2.227 -2.346 3.655 1.00 65.44 C ATOM 497 C ASN A 33 -2.747 -3.397 2.652 1.00 13.34 C ATOM 498 O ASN A 33 -2.642 -4.593 2.907 1.00 0.14 O ATOM 499 CB ASN A 33 -3.377 -1.852 4.570 1.00 22.02 C ATOM 500 CG ASN A 33 -2.914 -1.094 5.821 1.00 53.52 C ATOM 501 OD1 ASN A 33 -2.408 -1.694 6.761 1.00 10.40 O ATOM 502 ND2 ASN A 33 -3.137 0.209 5.875 1.00 34.12 N ATOM 0 H ASN A 33 -2.070 -0.336 3.062 1.00 65.12 H new ATOM 0 HA ASN A 33 -1.474 -2.819 4.284 1.00 65.44 H new ATOM 0 HB2 ASN A 33 -4.033 -1.203 3.990 1.00 22.02 H new ATOM 0 HB3 ASN A 33 -3.972 -2.711 4.881 1.00 22.02 H new ATOM 0 HD21 ASN A 33 -2.886 0.735 6.712 1.00 34.12 H new ATOM 0 HD22 ASN A 33 -3.560 0.687 5.080 1.00 34.12 H new ATOM 509 N ILE A 34 -3.300 -2.925 1.512 1.00 40.22 N ATOM 510 CA ILE A 34 -3.768 -3.792 0.411 1.00 2.01 C ATOM 511 C ILE A 34 -2.595 -4.625 -0.133 1.00 34.34 C ATOM 512 O ILE A 34 -2.723 -5.839 -0.311 1.00 75.42 O ATOM 513 CB ILE A 34 -4.427 -2.946 -0.753 1.00 33.23 C ATOM 514 CG1 ILE A 34 -5.798 -2.349 -0.305 1.00 71.32 C ATOM 515 CG2 ILE A 34 -4.585 -3.767 -2.058 1.00 12.13 C ATOM 516 CD1 ILE A 34 -6.426 -1.390 -1.304 1.00 5.03 C ATOM 0 H ILE A 34 -3.434 -1.930 1.331 1.00 40.22 H new ATOM 0 HA ILE A 34 -4.532 -4.460 0.808 1.00 2.01 H new ATOM 0 HB ILE A 34 -3.746 -2.123 -0.971 1.00 33.23 H new ATOM 0 HG12 ILE A 34 -6.493 -3.168 -0.120 1.00 71.32 H new ATOM 0 HG13 ILE A 34 -5.661 -1.828 0.642 1.00 71.32 H new ATOM 0 HG21 ILE A 34 -5.041 -3.144 -2.827 1.00 12.13 H new ATOM 0 HG22 ILE A 34 -3.605 -4.103 -2.397 1.00 12.13 H new ATOM 0 HG23 ILE A 34 -5.220 -4.633 -1.869 1.00 12.13 H new ATOM 0 HD11 ILE A 34 -7.375 -1.024 -0.911 1.00 5.03 H new ATOM 0 HD12 ILE A 34 -5.754 -0.548 -1.472 1.00 5.03 H new ATOM 0 HD13 ILE A 34 -6.600 -1.909 -2.247 1.00 5.03 H new ATOM 528 N GLY A 35 -1.460 -3.937 -0.368 1.00 71.14 N ATOM 529 CA GLY A 35 -0.244 -4.565 -0.866 1.00 64.11 C ATOM 530 C GLY A 35 0.292 -5.616 0.096 1.00 13.44 C ATOM 531 O GLY A 35 0.786 -6.658 -0.337 1.00 42.32 O ATOM 0 H GLY A 35 -1.372 -2.932 -0.215 1.00 71.14 H new ATOM 0 HA2 GLY A 35 -0.445 -5.027 -1.832 1.00 64.11 H new ATOM 0 HA3 GLY A 35 0.517 -3.802 -1.030 1.00 64.11 H new ATOM 535 N LEU A 36 0.174 -5.333 1.412 1.00 11.20 N ATOM 536 CA LEU A 36 0.555 -6.279 2.474 1.00 65.10 C ATOM 537 C LEU A 36 -0.283 -7.560 2.372 1.00 44.15 C ATOM 538 O LEU A 36 0.262 -8.655 2.460 1.00 33.32 O ATOM 539 CB LEU A 36 0.403 -5.632 3.885 1.00 52.44 C ATOM 540 CG LEU A 36 1.354 -4.433 4.195 1.00 30.50 C ATOM 541 CD1 LEU A 36 1.014 -3.785 5.549 1.00 60.12 C ATOM 542 CD2 LEU A 36 2.839 -4.857 4.147 1.00 33.55 C ATOM 0 H LEU A 36 -0.187 -4.446 1.763 1.00 11.20 H new ATOM 0 HA LEU A 36 1.605 -6.538 2.338 1.00 65.10 H new ATOM 0 HB2 LEU A 36 -0.626 -5.292 3.998 1.00 52.44 H new ATOM 0 HB3 LEU A 36 0.568 -6.404 4.636 1.00 52.44 H new ATOM 0 HG LEU A 36 1.197 -3.688 3.415 1.00 30.50 H new ATOM 0 HD11 LEU A 36 1.694 -2.954 5.735 1.00 60.12 H new ATOM 0 HD12 LEU A 36 -0.012 -3.417 5.529 1.00 60.12 H new ATOM 0 HD13 LEU A 36 1.119 -4.525 6.343 1.00 60.12 H new ATOM 0 HD21 LEU A 36 3.470 -3.996 4.368 1.00 33.55 H new ATOM 0 HD22 LEU A 36 3.019 -5.638 4.886 1.00 33.55 H new ATOM 0 HD23 LEU A 36 3.077 -5.236 3.153 1.00 33.55 H new ATOM 554 N GLU A 37 -1.601 -7.394 2.142 1.00 72.13 N ATOM 555 CA GLU A 37 -2.559 -8.517 2.056 1.00 71.35 C ATOM 556 C GLU A 37 -2.392 -9.327 0.751 1.00 24.44 C ATOM 557 O GLU A 37 -2.694 -10.524 0.718 1.00 73.35 O ATOM 558 CB GLU A 37 -4.004 -7.999 2.217 1.00 44.30 C ATOM 559 CG GLU A 37 -4.277 -7.267 3.549 1.00 72.11 C ATOM 560 CD GLU A 37 -3.955 -8.103 4.801 1.00 73.43 C ATOM 561 OE1 GLU A 37 -4.832 -8.861 5.263 1.00 55.34 O ATOM 562 OE2 GLU A 37 -2.819 -8.009 5.335 1.00 33.24 O ATOM 0 H GLU A 37 -2.032 -6.479 2.011 1.00 72.13 H new ATOM 0 HA GLU A 37 -2.343 -9.203 2.875 1.00 71.35 H new ATOM 0 HB2 GLU A 37 -4.228 -7.322 1.393 1.00 44.30 H new ATOM 0 HB3 GLU A 37 -4.690 -8.842 2.133 1.00 44.30 H new ATOM 0 HG2 GLU A 37 -3.688 -6.350 3.575 1.00 72.11 H new ATOM 0 HG3 GLU A 37 -5.326 -6.972 3.581 1.00 72.11 H new ATOM 569 N LYS A 38 -1.910 -8.660 -0.317 1.00 72.41 N ATOM 570 CA LYS A 38 -1.461 -9.330 -1.555 1.00 53.14 C ATOM 571 C LYS A 38 -0.261 -10.237 -1.229 1.00 34.51 C ATOM 572 O LYS A 38 -0.239 -11.417 -1.584 1.00 2.02 O ATOM 573 CB LYS A 38 -1.068 -8.278 -2.649 1.00 62.11 C ATOM 574 CG LYS A 38 -2.170 -7.921 -3.662 1.00 12.41 C ATOM 575 CD LYS A 38 -3.428 -7.316 -3.036 1.00 32.31 C ATOM 576 CE LYS A 38 -4.490 -6.943 -4.092 1.00 33.55 C ATOM 577 NZ LYS A 38 -4.875 -8.096 -4.949 1.00 75.30 N ATOM 0 H LYS A 38 -1.821 -7.644 -0.346 1.00 72.41 H new ATOM 0 HA LYS A 38 -2.279 -9.932 -1.951 1.00 53.14 H new ATOM 0 HB2 LYS A 38 -0.751 -7.363 -2.149 1.00 62.11 H new ATOM 0 HB3 LYS A 38 -0.206 -8.657 -3.197 1.00 62.11 H new ATOM 0 HG2 LYS A 38 -1.765 -7.217 -4.389 1.00 12.41 H new ATOM 0 HG3 LYS A 38 -2.448 -8.821 -4.211 1.00 12.41 H new ATOM 0 HD2 LYS A 38 -3.856 -8.027 -2.329 1.00 32.31 H new ATOM 0 HD3 LYS A 38 -3.156 -6.426 -2.468 1.00 32.31 H new ATOM 0 HE2 LYS A 38 -5.377 -6.557 -3.589 1.00 33.55 H new ATOM 0 HE3 LYS A 38 -4.105 -6.140 -4.721 1.00 33.55 H new ATOM 0 HZ1 LYS A 38 -5.650 -7.814 -5.583 1.00 75.30 H new ATOM 0 HZ2 LYS A 38 -4.056 -8.396 -5.515 1.00 75.30 H new ATOM 0 HZ3 LYS A 38 -5.189 -8.885 -4.349 1.00 75.30 H new ATOM 591 N ASN A 39 0.697 -9.648 -0.494 1.00 0.31 N ATOM 592 CA ASN A 39 1.965 -10.288 -0.092 1.00 15.45 C ATOM 593 C ASN A 39 1.704 -11.496 0.848 1.00 10.41 C ATOM 594 O ASN A 39 2.484 -12.460 0.855 1.00 4.14 O ATOM 595 CB ASN A 39 2.874 -9.223 0.597 1.00 12.42 C ATOM 596 CG ASN A 39 4.346 -9.620 0.712 1.00 4.41 C ATOM 597 OD1 ASN A 39 4.894 -10.280 -0.164 1.00 30.14 O ATOM 598 ND2 ASN A 39 4.999 -9.205 1.792 1.00 33.12 N ATOM 0 H ASN A 39 0.611 -8.690 -0.154 1.00 0.31 H new ATOM 0 HA ASN A 39 2.472 -10.674 -0.976 1.00 15.45 H new ATOM 0 HB2 ASN A 39 2.806 -8.290 0.038 1.00 12.42 H new ATOM 0 HB3 ASN A 39 2.486 -9.025 1.596 1.00 12.42 H new ATOM 0 HD21 ASN A 39 5.986 -9.434 1.911 1.00 33.12 H new ATOM 0 HD22 ASN A 39 4.513 -8.657 2.502 1.00 33.12 H new ATOM 605 N LYS A 40 0.585 -11.430 1.620 1.00 4.01 N ATOM 606 CA LYS A 40 0.127 -12.535 2.504 1.00 71.21 C ATOM 607 C LYS A 40 -0.298 -13.756 1.673 1.00 3.43 C ATOM 608 O LYS A 40 -0.032 -14.903 2.049 1.00 53.32 O ATOM 609 CB LYS A 40 -1.096 -12.105 3.357 1.00 54.31 C ATOM 610 CG LYS A 40 -0.869 -10.918 4.302 1.00 13.23 C ATOM 611 CD LYS A 40 0.197 -11.182 5.389 1.00 52.41 C ATOM 612 CE LYS A 40 0.371 -9.972 6.326 1.00 11.10 C ATOM 613 NZ LYS A 40 -0.909 -9.572 6.973 1.00 62.10 N ATOM 0 H LYS A 40 -0.023 -10.611 1.646 1.00 4.01 H new ATOM 0 HA LYS A 40 0.966 -12.785 3.153 1.00 71.21 H new ATOM 0 HB2 LYS A 40 -1.916 -11.856 2.683 1.00 54.31 H new ATOM 0 HB3 LYS A 40 -1.420 -12.960 3.950 1.00 54.31 H new ATOM 0 HG2 LYS A 40 -0.569 -10.050 3.715 1.00 13.23 H new ATOM 0 HG3 LYS A 40 -1.813 -10.665 4.785 1.00 13.23 H new ATOM 0 HD2 LYS A 40 -0.089 -12.056 5.974 1.00 52.41 H new ATOM 0 HD3 LYS A 40 1.150 -11.414 4.914 1.00 52.41 H new ATOM 0 HE2 LYS A 40 1.105 -10.213 7.095 1.00 11.10 H new ATOM 0 HE3 LYS A 40 0.768 -9.130 5.759 1.00 11.10 H new ATOM 0 HZ1 LYS A 40 -0.707 -8.991 7.812 1.00 62.10 H new ATOM 0 HZ2 LYS A 40 -1.481 -9.022 6.300 1.00 62.10 H new ATOM 0 HZ3 LYS A 40 -1.434 -10.423 7.259 1.00 62.10 H new ATOM 627 N MET A 41 -0.977 -13.475 0.549 1.00 50.22 N ATOM 628 CA MET A 41 -1.488 -14.508 -0.379 1.00 51.11 C ATOM 629 C MET A 41 -0.380 -15.007 -1.325 1.00 71.01 C ATOM 630 O MET A 41 -0.620 -15.889 -2.160 1.00 50.14 O ATOM 631 CB MET A 41 -2.677 -13.934 -1.197 1.00 13.22 C ATOM 632 CG MET A 41 -3.846 -13.423 -0.345 1.00 22.53 C ATOM 633 SD MET A 41 -5.256 -12.876 -1.333 1.00 54.32 S ATOM 634 CE MET A 41 -4.543 -11.532 -2.278 1.00 44.33 C ATOM 0 H MET A 41 -1.190 -12.522 0.253 1.00 50.22 H new ATOM 0 HA MET A 41 -1.831 -15.359 0.209 1.00 51.11 H new ATOM 0 HB2 MET A 41 -2.313 -13.117 -1.819 1.00 13.22 H new ATOM 0 HB3 MET A 41 -3.046 -14.708 -1.871 1.00 13.22 H new ATOM 0 HG2 MET A 41 -4.169 -14.215 0.331 1.00 22.53 H new ATOM 0 HG3 MET A 41 -3.501 -12.595 0.275 1.00 22.53 H new ATOM 0 HE1 MET A 41 -5.288 -11.137 -2.969 1.00 44.33 H new ATOM 0 HE2 MET A 41 -4.222 -10.741 -1.600 1.00 44.33 H new ATOM 0 HE3 MET A 41 -3.685 -11.898 -2.841 1.00 44.33 H new ATOM 644 N GLY A 42 0.823 -14.419 -1.197 1.00 51.11 N ATOM 645 CA GLY A 42 1.952 -14.733 -2.061 1.00 1.23 C ATOM 646 C GLY A 42 1.882 -14.016 -3.400 1.00 74.13 C ATOM 647 O GLY A 42 2.733 -14.243 -4.262 1.00 32.24 O ATOM 0 H GLY A 42 1.030 -13.714 -0.489 1.00 51.11 H new ATOM 0 HA2 GLY A 42 2.878 -14.460 -1.555 1.00 1.23 H new ATOM 0 HA3 GLY A 42 1.986 -15.809 -2.231 1.00 1.23 H new ATOM 651 N LYS A 43 0.868 -13.139 -3.574 1.00 42.21 N ATOM 652 CA LYS A 43 0.694 -12.311 -4.779 1.00 61.41 C ATOM 653 C LYS A 43 1.571 -11.058 -4.660 1.00 13.01 C ATOM 654 O LYS A 43 1.091 -9.924 -4.526 1.00 2.23 O ATOM 655 CB LYS A 43 -0.793 -11.945 -4.982 1.00 75.21 C ATOM 656 CG LYS A 43 -1.718 -13.162 -5.152 1.00 10.24 C ATOM 657 CD LYS A 43 -3.152 -12.752 -5.553 1.00 50.44 C ATOM 658 CE LYS A 43 -4.101 -13.945 -5.720 1.00 75.14 C ATOM 659 NZ LYS A 43 -5.429 -13.515 -6.226 1.00 74.51 N ATOM 0 H LYS A 43 0.143 -12.988 -2.873 1.00 42.21 H new ATOM 0 HA LYS A 43 1.007 -12.875 -5.657 1.00 61.41 H new ATOM 0 HB2 LYS A 43 -1.133 -11.360 -4.128 1.00 75.21 H new ATOM 0 HB3 LYS A 43 -0.883 -11.307 -5.861 1.00 75.21 H new ATOM 0 HG2 LYS A 43 -1.306 -13.826 -5.912 1.00 10.24 H new ATOM 0 HG3 LYS A 43 -1.750 -13.725 -4.219 1.00 10.24 H new ATOM 0 HD2 LYS A 43 -3.555 -12.080 -4.796 1.00 50.44 H new ATOM 0 HD3 LYS A 43 -3.114 -12.193 -6.488 1.00 50.44 H new ATOM 0 HE2 LYS A 43 -3.663 -14.666 -6.410 1.00 75.14 H new ATOM 0 HE3 LYS A 43 -4.222 -14.452 -4.763 1.00 75.14 H new ATOM 0 HZ1 LYS A 43 -6.047 -14.345 -6.328 1.00 74.51 H new ATOM 0 HZ2 LYS A 43 -5.856 -12.846 -5.554 1.00 74.51 H new ATOM 0 HZ3 LYS A 43 -5.315 -13.053 -7.151 1.00 74.51 H new ATOM 673 N VAL A 44 2.872 -11.306 -4.718 1.00 31.33 N ATOM 674 CA VAL A 44 3.909 -10.324 -4.412 1.00 74.35 C ATOM 675 C VAL A 44 4.075 -9.302 -5.556 1.00 40.20 C ATOM 676 O VAL A 44 4.490 -8.170 -5.321 1.00 0.54 O ATOM 677 CB VAL A 44 5.261 -11.059 -4.111 1.00 35.45 C ATOM 678 CG1 VAL A 44 6.360 -10.075 -3.691 1.00 21.10 C ATOM 679 CG2 VAL A 44 5.074 -12.147 -3.028 1.00 41.10 C ATOM 0 H VAL A 44 3.247 -12.216 -4.985 1.00 31.33 H new ATOM 0 HA VAL A 44 3.606 -9.765 -3.526 1.00 74.35 H new ATOM 0 HB VAL A 44 5.577 -11.540 -5.037 1.00 35.45 H new ATOM 0 HG11 VAL A 44 7.281 -10.622 -3.491 1.00 21.10 H new ATOM 0 HG12 VAL A 44 6.531 -9.357 -4.493 1.00 21.10 H new ATOM 0 HG13 VAL A 44 6.050 -9.546 -2.790 1.00 21.10 H new ATOM 0 HG21 VAL A 44 6.027 -12.640 -2.839 1.00 41.10 H new ATOM 0 HG22 VAL A 44 4.715 -11.686 -2.108 1.00 41.10 H new ATOM 0 HG23 VAL A 44 4.347 -12.882 -3.373 1.00 41.10 H new ATOM 689 N LYS A 45 3.718 -9.709 -6.787 1.00 71.21 N ATOM 690 CA LYS A 45 3.856 -8.857 -7.991 1.00 35.33 C ATOM 691 C LYS A 45 2.864 -7.678 -7.928 1.00 5.12 C ATOM 692 O LYS A 45 3.210 -6.552 -8.305 1.00 63.52 O ATOM 693 CB LYS A 45 3.654 -9.676 -9.302 1.00 63.10 C ATOM 694 CG LYS A 45 4.820 -10.621 -9.680 1.00 64.54 C ATOM 695 CD LYS A 45 5.126 -11.699 -8.612 1.00 53.44 C ATOM 696 CE LYS A 45 6.292 -12.614 -9.000 1.00 31.34 C ATOM 697 NZ LYS A 45 5.969 -13.485 -10.160 1.00 73.43 N ATOM 0 H LYS A 45 3.328 -10.631 -6.979 1.00 71.21 H new ATOM 0 HA LYS A 45 4.872 -8.463 -8.006 1.00 35.33 H new ATOM 0 HB2 LYS A 45 2.745 -10.269 -9.203 1.00 63.10 H new ATOM 0 HB3 LYS A 45 3.492 -8.979 -10.124 1.00 63.10 H new ATOM 0 HG2 LYS A 45 4.584 -11.115 -10.623 1.00 64.54 H new ATOM 0 HG3 LYS A 45 5.717 -10.025 -9.848 1.00 64.54 H new ATOM 0 HD2 LYS A 45 5.355 -11.210 -7.665 1.00 53.44 H new ATOM 0 HD3 LYS A 45 4.235 -12.305 -8.450 1.00 53.44 H new ATOM 0 HE2 LYS A 45 7.164 -12.005 -9.238 1.00 31.34 H new ATOM 0 HE3 LYS A 45 6.561 -13.236 -8.146 1.00 31.34 H new ATOM 0 HZ1 LYS A 45 6.783 -14.096 -10.372 1.00 73.43 H new ATOM 0 HZ2 LYS A 45 5.143 -14.075 -9.932 1.00 73.43 H new ATOM 0 HZ3 LYS A 45 5.754 -12.894 -10.989 1.00 73.43 H new ATOM 711 N GLU A 46 1.631 -7.963 -7.451 1.00 71.03 N ATOM 712 CA GLU A 46 0.610 -6.926 -7.188 1.00 51.12 C ATOM 713 C GLU A 46 1.041 -6.069 -5.995 1.00 0.41 C ATOM 714 O GLU A 46 0.902 -4.844 -6.028 1.00 14.34 O ATOM 715 CB GLU A 46 -0.788 -7.529 -6.884 1.00 54.52 C ATOM 716 CG GLU A 46 -1.406 -8.386 -8.000 1.00 12.33 C ATOM 717 CD GLU A 46 -2.830 -8.862 -7.666 1.00 33.02 C ATOM 718 OE1 GLU A 46 -2.995 -9.602 -6.678 1.00 43.33 O ATOM 719 OE2 GLU A 46 -3.796 -8.476 -8.362 1.00 10.42 O ATOM 0 H GLU A 46 1.318 -8.911 -7.239 1.00 71.03 H new ATOM 0 HA GLU A 46 0.529 -6.324 -8.093 1.00 51.12 H new ATOM 0 HB2 GLU A 46 -0.711 -8.139 -5.984 1.00 54.52 H new ATOM 0 HB3 GLU A 46 -1.473 -6.712 -6.658 1.00 54.52 H new ATOM 0 HG2 GLU A 46 -1.428 -7.809 -8.925 1.00 12.33 H new ATOM 0 HG3 GLU A 46 -0.771 -9.253 -8.180 1.00 12.33 H new ATOM 726 N ALA A 47 1.577 -6.751 -4.952 1.00 1.13 N ATOM 727 CA ALA A 47 2.029 -6.119 -3.700 1.00 13.50 C ATOM 728 C ALA A 47 3.018 -4.982 -3.980 1.00 72.43 C ATOM 729 O ALA A 47 2.868 -3.893 -3.435 1.00 61.15 O ATOM 730 CB ALA A 47 2.665 -7.174 -2.778 1.00 33.21 C ATOM 0 H ALA A 47 1.706 -7.763 -4.962 1.00 1.13 H new ATOM 0 HA ALA A 47 1.161 -5.689 -3.200 1.00 13.50 H new ATOM 0 HB1 ALA A 47 2.996 -6.698 -1.855 1.00 33.21 H new ATOM 0 HB2 ALA A 47 1.930 -7.945 -2.546 1.00 33.21 H new ATOM 0 HB3 ALA A 47 3.520 -7.628 -3.280 1.00 33.21 H new ATOM 736 N ILE A 48 3.984 -5.265 -4.883 1.00 51.44 N ATOM 737 CA ILE A 48 4.968 -4.298 -5.396 1.00 71.45 C ATOM 738 C ILE A 48 4.270 -3.037 -5.923 1.00 71.34 C ATOM 739 O ILE A 48 4.601 -1.934 -5.493 1.00 62.44 O ATOM 740 CB ILE A 48 5.847 -4.960 -6.536 1.00 34.24 C ATOM 741 CG1 ILE A 48 6.766 -6.080 -5.948 1.00 12.30 C ATOM 742 CG2 ILE A 48 6.683 -3.917 -7.324 1.00 63.41 C ATOM 743 CD1 ILE A 48 7.468 -6.928 -6.997 1.00 12.43 C ATOM 0 H ILE A 48 4.100 -6.197 -5.282 1.00 51.44 H new ATOM 0 HA ILE A 48 5.622 -4.007 -4.574 1.00 71.45 H new ATOM 0 HB ILE A 48 5.155 -5.412 -7.247 1.00 34.24 H new ATOM 0 HG12 ILE A 48 7.518 -5.618 -5.308 1.00 12.30 H new ATOM 0 HG13 ILE A 48 6.165 -6.731 -5.314 1.00 12.30 H new ATOM 0 HG21 ILE A 48 7.266 -4.424 -8.093 1.00 63.41 H new ATOM 0 HG22 ILE A 48 6.015 -3.195 -7.793 1.00 63.41 H new ATOM 0 HG23 ILE A 48 7.356 -3.399 -6.641 1.00 63.41 H new ATOM 0 HD11 ILE A 48 8.084 -7.680 -6.504 1.00 12.43 H new ATOM 0 HD12 ILE A 48 6.725 -7.422 -7.623 1.00 12.43 H new ATOM 0 HD13 ILE A 48 8.099 -6.291 -7.617 1.00 12.43 H new ATOM 755 N GLU A 49 3.277 -3.230 -6.812 1.00 3.33 N ATOM 756 CA GLU A 49 2.551 -2.125 -7.465 1.00 73.14 C ATOM 757 C GLU A 49 1.865 -1.211 -6.444 1.00 51.51 C ATOM 758 O GLU A 49 1.916 0.016 -6.568 1.00 52.04 O ATOM 759 CB GLU A 49 1.501 -2.674 -8.463 1.00 73.45 C ATOM 760 CG GLU A 49 2.071 -3.636 -9.516 1.00 53.23 C ATOM 761 CD GLU A 49 3.242 -3.044 -10.324 1.00 42.24 C ATOM 762 OE1 GLU A 49 2.994 -2.213 -11.228 1.00 55.53 O ATOM 763 OE2 GLU A 49 4.411 -3.403 -10.059 1.00 20.51 O ATOM 0 H GLU A 49 2.956 -4.155 -7.097 1.00 3.33 H new ATOM 0 HA GLU A 49 3.289 -1.534 -8.007 1.00 73.14 H new ATOM 0 HB2 GLU A 49 0.720 -3.188 -7.904 1.00 73.45 H new ATOM 0 HB3 GLU A 49 1.028 -1.835 -8.973 1.00 73.45 H new ATOM 0 HG2 GLU A 49 2.407 -4.547 -9.020 1.00 53.23 H new ATOM 0 HG3 GLU A 49 1.275 -3.922 -10.203 1.00 53.23 H new ATOM 770 N TYR A 50 1.256 -1.831 -5.422 1.00 34.44 N ATOM 771 CA TYR A 50 0.554 -1.113 -4.358 1.00 10.23 C ATOM 772 C TYR A 50 1.529 -0.387 -3.428 1.00 52.23 C ATOM 773 O TYR A 50 1.197 0.684 -2.943 1.00 20.12 O ATOM 774 CB TYR A 50 -0.344 -2.071 -3.558 1.00 15.24 C ATOM 775 CG TYR A 50 -1.595 -2.519 -4.317 1.00 20.14 C ATOM 776 CD1 TYR A 50 -2.673 -1.646 -4.494 1.00 62.44 C ATOM 777 CD2 TYR A 50 -1.694 -3.793 -4.865 1.00 75.11 C ATOM 778 CE1 TYR A 50 -3.798 -2.039 -5.184 1.00 33.01 C ATOM 779 CE2 TYR A 50 -2.809 -4.186 -5.558 1.00 75.33 C ATOM 780 CZ TYR A 50 -3.860 -3.311 -5.715 1.00 41.32 C ATOM 781 OH TYR A 50 -4.971 -3.707 -6.414 1.00 63.22 O ATOM 0 H TYR A 50 1.239 -2.845 -5.314 1.00 34.44 H new ATOM 0 HA TYR A 50 -0.075 -0.358 -4.831 1.00 10.23 H new ATOM 0 HB2 TYR A 50 0.236 -2.951 -3.279 1.00 15.24 H new ATOM 0 HB3 TYR A 50 -0.647 -1.583 -2.632 1.00 15.24 H new ATOM 0 HD1 TYR A 50 -2.622 -0.648 -4.083 1.00 62.44 H new ATOM 0 HD2 TYR A 50 -0.876 -4.487 -4.742 1.00 75.11 H new ATOM 0 HE1 TYR A 50 -4.626 -1.357 -5.309 1.00 33.01 H new ATOM 0 HE2 TYR A 50 -2.863 -5.179 -5.980 1.00 75.33 H new ATOM 0 HH TYR A 50 -4.853 -4.630 -6.721 1.00 63.22 H new ATOM 791 N PHE A 51 2.722 -0.971 -3.192 1.00 13.42 N ATOM 792 CA PHE A 51 3.774 -0.326 -2.374 1.00 62.50 C ATOM 793 C PHE A 51 4.424 0.828 -3.153 1.00 52.21 C ATOM 794 O PHE A 51 4.920 1.769 -2.546 1.00 44.52 O ATOM 795 CB PHE A 51 4.882 -1.317 -1.939 1.00 22.05 C ATOM 796 CG PHE A 51 4.451 -2.509 -1.093 1.00 51.53 C ATOM 797 CD1 PHE A 51 3.439 -2.403 -0.137 1.00 32.05 C ATOM 798 CD2 PHE A 51 5.089 -3.743 -1.247 1.00 4.44 C ATOM 799 CE1 PHE A 51 3.079 -3.494 0.628 1.00 60.22 C ATOM 800 CE2 PHE A 51 4.723 -4.831 -0.484 1.00 44.43 C ATOM 801 CZ PHE A 51 3.719 -4.708 0.453 1.00 51.10 C ATOM 0 H PHE A 51 2.982 -1.888 -3.556 1.00 13.42 H new ATOM 0 HA PHE A 51 3.281 0.048 -1.477 1.00 62.50 H new ATOM 0 HB2 PHE A 51 5.368 -1.697 -2.837 1.00 22.05 H new ATOM 0 HB3 PHE A 51 5.635 -0.760 -1.381 1.00 22.05 H new ATOM 0 HD1 PHE A 51 2.934 -1.459 0.005 1.00 32.05 H new ATOM 0 HD2 PHE A 51 5.880 -3.846 -1.975 1.00 4.44 H new ATOM 0 HE1 PHE A 51 2.295 -3.400 1.365 1.00 60.22 H new ATOM 0 HE2 PHE A 51 5.222 -5.779 -0.620 1.00 44.43 H new ATOM 0 HZ PHE A 51 3.432 -5.560 1.051 1.00 51.10 H new ATOM 811 N LEU A 52 4.433 0.723 -4.499 1.00 15.23 N ATOM 812 CA LEU A 52 4.982 1.768 -5.392 1.00 74.11 C ATOM 813 C LEU A 52 4.085 3.011 -5.324 1.00 51.13 C ATOM 814 O LEU A 52 4.560 4.130 -5.104 1.00 61.52 O ATOM 815 CB LEU A 52 5.081 1.260 -6.864 1.00 14.34 C ATOM 816 CG LEU A 52 6.200 0.216 -7.173 1.00 4.33 C ATOM 817 CD1 LEU A 52 6.049 -0.362 -8.594 1.00 12.54 C ATOM 818 CD2 LEU A 52 7.604 0.833 -6.981 1.00 43.33 C ATOM 0 H LEU A 52 4.061 -0.086 -4.997 1.00 15.23 H new ATOM 0 HA LEU A 52 5.989 2.018 -5.058 1.00 74.11 H new ATOM 0 HB2 LEU A 52 4.122 0.821 -7.137 1.00 14.34 H new ATOM 0 HB3 LEU A 52 5.233 2.123 -7.512 1.00 14.34 H new ATOM 0 HG LEU A 52 6.089 -0.604 -6.463 1.00 4.33 H new ATOM 0 HD11 LEU A 52 6.843 -1.086 -8.779 1.00 12.54 H new ATOM 0 HD12 LEU A 52 5.081 -0.854 -8.686 1.00 12.54 H new ATOM 0 HD13 LEU A 52 6.116 0.445 -9.324 1.00 12.54 H new ATOM 0 HD21 LEU A 52 8.364 0.084 -7.203 1.00 43.33 H new ATOM 0 HD22 LEU A 52 7.724 1.682 -7.654 1.00 43.33 H new ATOM 0 HD23 LEU A 52 7.716 1.169 -5.950 1.00 43.33 H new ATOM 830 N ARG A 53 2.773 2.767 -5.494 1.00 75.24 N ATOM 831 CA ARG A 53 1.737 3.806 -5.429 1.00 14.10 C ATOM 832 C ARG A 53 1.691 4.429 -4.023 1.00 41.01 C ATOM 833 O ARG A 53 1.770 5.648 -3.892 1.00 64.44 O ATOM 834 CB ARG A 53 0.359 3.209 -5.814 1.00 0.14 C ATOM 835 CG ARG A 53 0.255 2.729 -7.280 1.00 74.42 C ATOM 836 CD ARG A 53 -1.057 1.981 -7.558 1.00 53.50 C ATOM 837 NE ARG A 53 -2.250 2.803 -7.263 1.00 30.11 N ATOM 838 CZ ARG A 53 -3.490 2.325 -7.064 1.00 14.34 C ATOM 839 NH1 ARG A 53 -3.744 1.017 -7.129 1.00 25.11 N ATOM 840 NH2 ARG A 53 -4.478 3.163 -6.784 1.00 4.42 N ATOM 0 H ARG A 53 2.402 1.835 -5.682 1.00 75.24 H new ATOM 0 HA ARG A 53 1.982 4.594 -6.141 1.00 14.10 H new ATOM 0 HB2 ARG A 53 0.144 2.369 -5.154 1.00 0.14 H new ATOM 0 HB3 ARG A 53 -0.411 3.960 -5.635 1.00 0.14 H new ATOM 0 HG2 ARG A 53 0.329 3.588 -7.947 1.00 74.42 H new ATOM 0 HG3 ARG A 53 1.098 2.076 -7.507 1.00 74.42 H new ATOM 0 HD2 ARG A 53 -1.081 1.673 -8.603 1.00 53.50 H new ATOM 0 HD3 ARG A 53 -1.088 1.072 -6.957 1.00 53.50 H new ATOM 0 HE ARG A 53 -2.122 3.813 -7.206 1.00 30.11 H new ATOM 0 HH11 ARG A 53 -2.990 0.361 -7.333 1.00 25.11 H new ATOM 0 HH12 ARG A 53 -4.692 0.673 -6.975 1.00 25.11 H new ATOM 0 HH21 ARG A 53 -4.295 4.164 -6.721 1.00 4.42 H new ATOM 0 HH22 ARG A 53 -5.421 2.806 -6.632 1.00 4.42 H new ATOM 854 N ALA A 54 1.652 3.560 -2.991 1.00 35.21 N ATOM 855 CA ALA A 54 1.543 3.960 -1.576 1.00 65.51 C ATOM 856 C ALA A 54 2.711 4.849 -1.153 1.00 12.31 C ATOM 857 O ALA A 54 2.495 5.926 -0.595 1.00 31.24 O ATOM 858 CB ALA A 54 1.497 2.717 -0.677 1.00 14.21 C ATOM 0 H ALA A 54 1.696 2.549 -3.121 1.00 35.21 H new ATOM 0 HA ALA A 54 0.620 4.530 -1.465 1.00 65.51 H new ATOM 0 HB1 ALA A 54 1.417 3.025 0.366 1.00 14.21 H new ATOM 0 HB2 ALA A 54 0.634 2.107 -0.943 1.00 14.21 H new ATOM 0 HB3 ALA A 54 2.408 2.135 -0.814 1.00 14.21 H new ATOM 864 N LYS A 55 3.940 4.379 -1.464 1.00 3.12 N ATOM 865 CA LYS A 55 5.193 5.088 -1.153 1.00 42.34 C ATOM 866 C LYS A 55 5.192 6.486 -1.773 1.00 14.25 C ATOM 867 O LYS A 55 5.524 7.462 -1.102 1.00 1.14 O ATOM 868 CB LYS A 55 6.419 4.297 -1.683 1.00 32.05 C ATOM 869 CG LYS A 55 7.774 5.007 -1.480 1.00 63.01 C ATOM 870 CD LYS A 55 8.948 4.288 -2.178 1.00 53.33 C ATOM 871 CE LYS A 55 10.264 5.074 -2.050 1.00 12.20 C ATOM 872 NZ LYS A 55 11.377 4.445 -2.810 1.00 44.41 N ATOM 0 H LYS A 55 4.087 3.490 -1.942 1.00 3.12 H new ATOM 0 HA LYS A 55 5.263 5.175 -0.069 1.00 42.34 H new ATOM 0 HB2 LYS A 55 6.453 3.328 -1.186 1.00 32.05 H new ATOM 0 HB3 LYS A 55 6.279 4.105 -2.747 1.00 32.05 H new ATOM 0 HG2 LYS A 55 7.703 6.026 -1.860 1.00 63.01 H new ATOM 0 HG3 LYS A 55 7.983 5.078 -0.413 1.00 63.01 H new ATOM 0 HD2 LYS A 55 9.075 3.296 -1.744 1.00 53.33 H new ATOM 0 HD3 LYS A 55 8.711 4.147 -3.233 1.00 53.33 H new ATOM 0 HE2 LYS A 55 10.112 6.092 -2.409 1.00 12.20 H new ATOM 0 HE3 LYS A 55 10.541 5.145 -0.998 1.00 12.20 H new ATOM 0 HZ1 LYS A 55 12.241 5.011 -2.692 1.00 44.41 H new ATOM 0 HZ2 LYS A 55 11.542 3.483 -2.451 1.00 44.41 H new ATOM 0 HZ3 LYS A 55 11.127 4.400 -3.819 1.00 44.41 H new ATOM 886 N LYS A 56 4.796 6.547 -3.056 1.00 0.54 N ATOM 887 CA LYS A 56 4.783 7.784 -3.845 1.00 61.40 C ATOM 888 C LYS A 56 3.758 8.791 -3.280 1.00 20.43 C ATOM 889 O LYS A 56 3.952 10.009 -3.367 1.00 54.12 O ATOM 890 CB LYS A 56 4.491 7.453 -5.330 1.00 73.11 C ATOM 891 CG LYS A 56 4.745 8.620 -6.305 1.00 1.13 C ATOM 892 CD LYS A 56 4.525 8.217 -7.780 1.00 10.43 C ATOM 893 CE LYS A 56 4.914 9.336 -8.763 1.00 60.10 C ATOM 894 NZ LYS A 56 6.344 9.737 -8.624 1.00 22.11 N ATOM 0 H LYS A 56 4.474 5.731 -3.576 1.00 0.54 H new ATOM 0 HA LYS A 56 5.764 8.255 -3.781 1.00 61.40 H new ATOM 0 HB2 LYS A 56 5.108 6.605 -5.629 1.00 73.11 H new ATOM 0 HB3 LYS A 56 3.451 7.139 -5.422 1.00 73.11 H new ATOM 0 HG2 LYS A 56 4.082 9.449 -6.055 1.00 1.13 H new ATOM 0 HG3 LYS A 56 5.766 8.979 -6.178 1.00 1.13 H new ATOM 0 HD2 LYS A 56 5.111 7.325 -8.000 1.00 10.43 H new ATOM 0 HD3 LYS A 56 3.477 7.955 -7.929 1.00 10.43 H new ATOM 0 HE2 LYS A 56 4.730 9.001 -9.784 1.00 60.10 H new ATOM 0 HE3 LYS A 56 4.277 10.204 -8.593 1.00 60.10 H new ATOM 0 HZ1 LYS A 56 6.625 10.310 -9.445 1.00 22.11 H new ATOM 0 HZ2 LYS A 56 6.465 10.295 -7.755 1.00 22.11 H new ATOM 0 HZ3 LYS A 56 6.940 8.886 -8.575 1.00 22.11 H new ATOM 908 N VAL A 57 2.663 8.266 -2.700 1.00 25.34 N ATOM 909 CA VAL A 57 1.658 9.082 -2.009 1.00 11.22 C ATOM 910 C VAL A 57 2.224 9.602 -0.662 1.00 64.20 C ATOM 911 O VAL A 57 1.954 10.743 -0.281 1.00 14.12 O ATOM 912 CB VAL A 57 0.312 8.293 -1.799 1.00 3.03 C ATOM 913 CG1 VAL A 57 -0.706 9.139 -1.024 1.00 41.14 C ATOM 914 CG2 VAL A 57 -0.296 7.844 -3.152 1.00 1.12 C ATOM 0 H VAL A 57 2.454 7.268 -2.699 1.00 25.34 H new ATOM 0 HA VAL A 57 1.426 9.940 -2.640 1.00 11.22 H new ATOM 0 HB VAL A 57 0.546 7.403 -1.215 1.00 3.03 H new ATOM 0 HG11 VAL A 57 -1.627 8.571 -0.893 1.00 41.14 H new ATOM 0 HG12 VAL A 57 -0.296 9.397 -0.047 1.00 41.14 H new ATOM 0 HG13 VAL A 57 -0.919 10.052 -1.580 1.00 41.14 H new ATOM 0 HG21 VAL A 57 -1.224 7.302 -2.972 1.00 1.12 H new ATOM 0 HG22 VAL A 57 -0.501 8.720 -3.767 1.00 1.12 H new ATOM 0 HG23 VAL A 57 0.409 7.194 -3.670 1.00 1.12 H new ATOM 924 N PHE A 58 3.036 8.770 0.035 1.00 24.45 N ATOM 925 CA PHE A 58 3.733 9.188 1.280 1.00 35.23 C ATOM 926 C PHE A 58 4.809 10.251 0.973 1.00 21.51 C ATOM 927 O PHE A 58 5.095 11.108 1.807 1.00 23.12 O ATOM 928 CB PHE A 58 4.379 7.985 2.023 1.00 32.32 C ATOM 929 CG PHE A 58 3.386 6.961 2.593 1.00 64.23 C ATOM 930 CD1 PHE A 58 2.346 7.363 3.436 1.00 62.30 C ATOM 931 CD2 PHE A 58 3.505 5.597 2.304 1.00 41.22 C ATOM 932 CE1 PHE A 58 1.463 6.435 3.961 1.00 51.22 C ATOM 933 CE2 PHE A 58 2.626 4.677 2.835 1.00 42.13 C ATOM 934 CZ PHE A 58 1.607 5.093 3.663 1.00 52.11 C ATOM 0 H PHE A 58 3.225 7.807 -0.242 1.00 24.45 H new ATOM 0 HA PHE A 58 2.976 9.618 1.936 1.00 35.23 H new ATOM 0 HB2 PHE A 58 5.051 7.472 1.335 1.00 32.32 H new ATOM 0 HB3 PHE A 58 4.990 8.368 2.840 1.00 32.32 H new ATOM 0 HD1 PHE A 58 2.230 8.409 3.680 1.00 62.30 H new ATOM 0 HD2 PHE A 58 4.299 5.259 1.654 1.00 41.22 H new ATOM 0 HE1 PHE A 58 0.660 6.760 4.605 1.00 51.22 H new ATOM 0 HE2 PHE A 58 2.737 3.628 2.601 1.00 42.13 H new ATOM 0 HZ PHE A 58 0.921 4.371 4.079 1.00 52.11 H new ATOM 944 N ASP A 59 5.396 10.183 -0.237 1.00 22.11 N ATOM 945 CA ASP A 59 6.351 11.196 -0.731 1.00 31.54 C ATOM 946 C ASP A 59 5.620 12.513 -1.027 1.00 72.23 C ATOM 947 O ASP A 59 6.180 13.600 -0.834 1.00 24.43 O ATOM 948 CB ASP A 59 7.106 10.704 -1.998 1.00 42.43 C ATOM 949 CG ASP A 59 8.027 9.499 -1.737 1.00 14.34 C ATOM 950 OD1 ASP A 59 8.857 9.573 -0.811 1.00 60.21 O ATOM 951 OD2 ASP A 59 7.953 8.494 -2.477 1.00 41.41 O ATOM 0 H ASP A 59 5.223 9.427 -0.899 1.00 22.11 H new ATOM 0 HA ASP A 59 7.091 11.364 0.051 1.00 31.54 H new ATOM 0 HB2 ASP A 59 6.378 10.435 -2.763 1.00 42.43 H new ATOM 0 HB3 ASP A 59 7.701 11.525 -2.398 1.00 42.43 H new ATOM 956 N ALA A 60 4.364 12.395 -1.498 1.00 12.34 N ATOM 957 CA ALA A 60 3.477 13.549 -1.742 1.00 35.24 C ATOM 958 C ALA A 60 3.054 14.203 -0.409 1.00 52.03 C ATOM 959 O ALA A 60 2.883 15.422 -0.332 1.00 13.24 O ATOM 960 CB ALA A 60 2.256 13.109 -2.565 1.00 73.34 C ATOM 0 H ALA A 60 3.935 11.497 -1.720 1.00 12.34 H new ATOM 0 HA ALA A 60 4.021 14.299 -2.316 1.00 35.24 H new ATOM 0 HB1 ALA A 60 1.607 13.967 -2.740 1.00 73.34 H new ATOM 0 HB2 ALA A 60 2.588 12.704 -3.521 1.00 73.34 H new ATOM 0 HB3 ALA A 60 1.706 12.343 -2.018 1.00 73.34 H new ATOM 966 N GLU A 61 2.913 13.372 0.641 1.00 24.22 N ATOM 967 CA GLU A 61 2.644 13.839 2.012 1.00 73.41 C ATOM 968 C GLU A 61 3.935 14.353 2.690 1.00 24.12 C ATOM 969 O GLU A 61 3.866 15.023 3.728 1.00 31.10 O ATOM 970 CB GLU A 61 2.037 12.684 2.859 1.00 63.23 C ATOM 971 CG GLU A 61 0.686 12.149 2.352 1.00 10.22 C ATOM 972 CD GLU A 61 -0.433 13.210 2.363 1.00 24.31 C ATOM 973 OE1 GLU A 61 -0.809 13.668 3.461 1.00 4.30 O ATOM 974 OE2 GLU A 61 -0.940 13.590 1.287 1.00 71.31 O ATOM 0 H GLU A 61 2.983 12.358 0.561 1.00 24.22 H new ATOM 0 HA GLU A 61 1.933 14.663 1.953 1.00 73.41 H new ATOM 0 HB2 GLU A 61 2.750 11.860 2.887 1.00 63.23 H new ATOM 0 HB3 GLU A 61 1.912 13.032 3.884 1.00 63.23 H new ATOM 0 HG2 GLU A 61 0.810 11.772 1.337 1.00 10.22 H new ATOM 0 HG3 GLU A 61 0.382 11.304 2.970 1.00 10.22 H new ATOM 981 N HIS A 62 5.102 14.018 2.078 1.00 43.32 N ATOM 982 CA HIS A 62 6.458 14.301 2.609 1.00 74.40 C ATOM 983 C HIS A 62 6.732 13.535 3.929 1.00 71.21 C ATOM 984 O HIS A 62 7.645 13.884 4.683 1.00 61.11 O ATOM 985 CB HIS A 62 6.712 15.829 2.767 1.00 40.33 C ATOM 986 CG HIS A 62 6.644 16.610 1.482 1.00 32.24 C ATOM 987 ND1 HIS A 62 5.893 17.752 1.334 1.00 34.51 N ATOM 988 CD2 HIS A 62 7.252 16.411 0.293 1.00 71.41 C ATOM 989 CE1 HIS A 62 6.057 18.226 0.121 1.00 2.22 C ATOM 990 NE2 HIS A 62 6.874 17.430 -0.535 1.00 60.25 N ATOM 0 H HIS A 62 5.124 13.533 1.181 1.00 43.32 H new ATOM 0 HA HIS A 62 7.171 13.933 1.871 1.00 74.40 H new ATOM 0 HB2 HIS A 62 5.979 16.236 3.464 1.00 40.33 H new ATOM 0 HB3 HIS A 62 7.694 15.977 3.215 1.00 40.33 H new ATOM 0 HD2 HIS A 62 7.915 15.596 0.042 1.00 71.41 H new ATOM 0 HE1 HIS A 62 5.598 19.121 -0.273 1.00 2.22 H new ATOM 0 HE2 HIS A 62 7.175 17.553 -1.502 1.00 60.25 H new ATOM 999 N ASP A 63 5.960 12.457 4.143 1.00 73.12 N ATOM 1000 CA ASP A 63 6.076 11.563 5.306 1.00 4.14 C ATOM 1001 C ASP A 63 7.195 10.535 5.046 1.00 3.11 C ATOM 1002 O ASP A 63 7.006 9.590 4.265 1.00 0.43 O ATOM 1003 CB ASP A 63 4.718 10.852 5.558 1.00 5.13 C ATOM 1004 CG ASP A 63 4.711 10.002 6.841 1.00 30.15 C ATOM 1005 OD1 ASP A 63 4.570 10.573 7.943 1.00 34.53 O ATOM 1006 OD2 ASP A 63 4.866 8.770 6.762 1.00 31.51 O ATOM 0 H ASP A 63 5.221 12.177 3.498 1.00 73.12 H new ATOM 0 HA ASP A 63 6.330 12.140 6.195 1.00 4.14 H new ATOM 0 HB2 ASP A 63 3.929 11.601 5.621 1.00 5.13 H new ATOM 0 HB3 ASP A 63 4.485 10.214 4.705 1.00 5.13 H new ATOM 1011 N THR A 64 8.368 10.756 5.663 1.00 32.32 N ATOM 1012 CA THR A 64 9.571 9.950 5.410 1.00 2.50 C ATOM 1013 C THR A 64 9.415 8.505 5.936 1.00 33.13 C ATOM 1014 O THR A 64 9.841 7.563 5.265 1.00 1.25 O ATOM 1015 CB THR A 64 10.859 10.618 6.016 1.00 20.20 C ATOM 1016 OG1 THR A 64 12.034 9.866 5.657 1.00 53.01 O ATOM 1017 CG2 THR A 64 10.797 10.750 7.549 1.00 21.20 C ATOM 0 H THR A 64 8.507 11.497 6.350 1.00 32.32 H new ATOM 0 HA THR A 64 9.692 9.904 4.328 1.00 2.50 H new ATOM 0 HB THR A 64 10.910 11.622 5.595 1.00 20.20 H new ATOM 0 HG1 THR A 64 12.827 10.295 6.040 1.00 53.01 H new ATOM 0 HG21 THR A 64 11.713 11.218 7.911 1.00 21.20 H new ATOM 0 HG22 THR A 64 9.941 11.365 7.827 1.00 21.20 H new ATOM 0 HG23 THR A 64 10.694 9.761 7.995 1.00 21.20 H new ATOM 1025 N ASP A 65 8.774 8.342 7.116 1.00 22.11 N ATOM 1026 CA ASP A 65 8.622 7.037 7.792 1.00 11.53 C ATOM 1027 C ASP A 65 7.861 6.044 6.908 1.00 64.33 C ATOM 1028 O ASP A 65 8.322 4.920 6.700 1.00 1.14 O ATOM 1029 CB ASP A 65 7.890 7.218 9.151 1.00 4.35 C ATOM 1030 CG ASP A 65 7.694 5.897 9.929 1.00 24.41 C ATOM 1031 OD1 ASP A 65 8.640 5.460 10.614 1.00 10.25 O ATOM 1032 OD2 ASP A 65 6.604 5.274 9.841 1.00 43.53 O ATOM 0 H ASP A 65 8.347 9.115 7.626 1.00 22.11 H new ATOM 0 HA ASP A 65 9.617 6.633 7.976 1.00 11.53 H new ATOM 0 HB2 ASP A 65 8.457 7.914 9.770 1.00 4.35 H new ATOM 0 HB3 ASP A 65 6.916 7.672 8.972 1.00 4.35 H new ATOM 1037 N GLY A 66 6.703 6.493 6.389 1.00 13.40 N ATOM 1038 CA GLY A 66 5.828 5.659 5.574 1.00 71.12 C ATOM 1039 C GLY A 66 6.423 5.323 4.219 1.00 34.43 C ATOM 1040 O GLY A 66 6.231 4.212 3.723 1.00 4.02 O ATOM 0 H GLY A 66 6.357 7.442 6.528 1.00 13.40 H new ATOM 0 HA2 GLY A 66 5.614 4.734 6.110 1.00 71.12 H new ATOM 0 HA3 GLY A 66 4.877 6.172 5.430 1.00 71.12 H new ATOM 1044 N ALA A 67 7.139 6.292 3.617 1.00 23.14 N ATOM 1045 CA ALA A 67 7.810 6.095 2.322 1.00 1.13 C ATOM 1046 C ALA A 67 8.911 5.029 2.428 1.00 35.22 C ATOM 1047 O ALA A 67 9.009 4.143 1.581 1.00 64.11 O ATOM 1048 CB ALA A 67 8.383 7.420 1.827 1.00 61.12 C ATOM 0 H ALA A 67 7.267 7.224 4.012 1.00 23.14 H new ATOM 0 HA ALA A 67 7.075 5.739 1.600 1.00 1.13 H new ATOM 0 HB1 ALA A 67 8.878 7.267 0.868 1.00 61.12 H new ATOM 0 HB2 ALA A 67 7.576 8.143 1.707 1.00 61.12 H new ATOM 0 HB3 ALA A 67 9.104 7.798 2.552 1.00 61.12 H new ATOM 1054 N ARG A 68 9.714 5.125 3.502 1.00 41.54 N ATOM 1055 CA ARG A 68 10.810 4.182 3.788 1.00 70.14 C ATOM 1056 C ARG A 68 10.258 2.796 4.184 1.00 33.04 C ATOM 1057 O ARG A 68 10.890 1.771 3.920 1.00 71.12 O ATOM 1058 CB ARG A 68 11.720 4.740 4.915 1.00 52.41 C ATOM 1059 CG ARG A 68 12.480 6.040 4.550 1.00 54.14 C ATOM 1060 CD ARG A 68 13.280 6.608 5.737 1.00 64.01 C ATOM 1061 NE ARG A 68 14.229 5.621 6.283 1.00 33.02 N ATOM 1062 CZ ARG A 68 14.902 5.735 7.439 1.00 52.04 C ATOM 1063 NH1 ARG A 68 14.767 6.809 8.225 1.00 0.23 N ATOM 1064 NH2 ARG A 68 15.704 4.747 7.809 1.00 51.32 N ATOM 0 H ARG A 68 9.621 5.863 4.200 1.00 41.54 H new ATOM 0 HA ARG A 68 11.403 4.065 2.881 1.00 70.14 H new ATOM 0 HB2 ARG A 68 11.108 4.929 5.797 1.00 52.41 H new ATOM 0 HB3 ARG A 68 12.447 3.975 5.189 1.00 52.41 H new ATOM 0 HG2 ARG A 68 13.159 5.840 3.721 1.00 54.14 H new ATOM 0 HG3 ARG A 68 11.767 6.789 4.205 1.00 54.14 H new ATOM 0 HD2 ARG A 68 13.824 7.496 5.416 1.00 64.01 H new ATOM 0 HD3 ARG A 68 12.592 6.922 6.522 1.00 64.01 H new ATOM 0 HE ARG A 68 14.388 4.776 5.734 1.00 33.02 H new ATOM 0 HH11 ARG A 68 14.141 7.566 7.951 1.00 0.23 H new ATOM 0 HH12 ARG A 68 15.290 6.871 9.099 1.00 0.23 H new ATOM 0 HH21 ARG A 68 15.801 3.920 7.219 1.00 51.32 H new ATOM 0 HH22 ARG A 68 16.225 4.813 8.684 1.00 51.32 H new ATOM 1078 N ARG A 69 9.075 2.793 4.820 1.00 51.03 N ATOM 1079 CA ARG A 69 8.409 1.567 5.297 1.00 3.20 C ATOM 1080 C ARG A 69 7.806 0.785 4.114 1.00 34.21 C ATOM 1081 O ARG A 69 7.846 -0.452 4.087 1.00 1.24 O ATOM 1082 CB ARG A 69 7.323 1.954 6.332 1.00 4.42 C ATOM 1083 CG ARG A 69 6.690 0.785 7.099 1.00 54.44 C ATOM 1084 CD ARG A 69 5.688 1.266 8.161 1.00 71.51 C ATOM 1085 NE ARG A 69 6.309 2.182 9.147 1.00 33.41 N ATOM 1086 CZ ARG A 69 6.798 1.816 10.342 1.00 20.12 C ATOM 1087 NH1 ARG A 69 6.754 0.549 10.744 1.00 20.50 N ATOM 1088 NH2 ARG A 69 7.331 2.733 11.131 1.00 42.21 N ATOM 0 H ARG A 69 8.550 3.645 5.019 1.00 51.03 H new ATOM 0 HA ARG A 69 9.138 0.914 5.778 1.00 3.20 H new ATOM 0 HB2 ARG A 69 7.763 2.642 7.053 1.00 4.42 H new ATOM 0 HB3 ARG A 69 6.532 2.497 5.815 1.00 4.42 H new ATOM 0 HG2 ARG A 69 6.184 0.123 6.397 1.00 54.44 H new ATOM 0 HG3 ARG A 69 7.474 0.200 7.580 1.00 54.44 H new ATOM 0 HD2 ARG A 69 4.857 1.773 7.670 1.00 71.51 H new ATOM 0 HD3 ARG A 69 5.272 0.404 8.682 1.00 71.51 H new ATOM 0 HE ARG A 69 6.370 3.169 8.897 1.00 33.41 H new ATOM 0 HH11 ARG A 69 6.344 -0.164 10.141 1.00 20.50 H new ATOM 0 HH12 ARG A 69 7.131 0.290 11.656 1.00 20.50 H new ATOM 0 HH21 ARG A 69 7.367 3.707 10.829 1.00 42.21 H new ATOM 0 HH22 ARG A 69 7.706 2.467 12.042 1.00 42.21 H new ATOM 1102 N ALA A 70 7.266 1.527 3.128 1.00 5.41 N ATOM 1103 CA ALA A 70 6.727 0.952 1.885 1.00 3.12 C ATOM 1104 C ALA A 70 7.866 0.513 0.960 1.00 0.21 C ATOM 1105 O ALA A 70 7.728 -0.461 0.217 1.00 0.30 O ATOM 1106 CB ALA A 70 5.795 1.956 1.190 1.00 13.31 C ATOM 0 H ALA A 70 7.192 2.543 3.173 1.00 5.41 H new ATOM 0 HA ALA A 70 6.140 0.068 2.132 1.00 3.12 H new ATOM 0 HB1 ALA A 70 5.405 1.515 0.273 1.00 13.31 H new ATOM 0 HB2 ALA A 70 4.967 2.204 1.854 1.00 13.31 H new ATOM 0 HB3 ALA A 70 6.351 2.862 0.949 1.00 13.31 H new ATOM 1112 N ALA A 71 8.995 1.242 1.035 1.00 61.33 N ATOM 1113 CA ALA A 71 10.230 0.904 0.315 1.00 24.21 C ATOM 1114 C ALA A 71 10.905 -0.342 0.921 1.00 20.44 C ATOM 1115 O ALA A 71 11.599 -1.081 0.212 1.00 40.12 O ATOM 1116 CB ALA A 71 11.190 2.100 0.332 1.00 2.33 C ATOM 0 H ALA A 71 9.073 2.087 1.601 1.00 61.33 H new ATOM 0 HA ALA A 71 9.972 0.671 -0.718 1.00 24.21 H new ATOM 0 HB1 ALA A 71 12.103 1.841 -0.204 1.00 2.33 H new ATOM 0 HB2 ALA A 71 10.716 2.954 -0.151 1.00 2.33 H new ATOM 0 HB3 ALA A 71 11.434 2.356 1.363 1.00 2.33 H new ATOM 1122 N LYS A 72 10.707 -0.552 2.241 1.00 74.20 N ATOM 1123 CA LYS A 72 11.209 -1.740 2.946 1.00 53.34 C ATOM 1124 C LYS A 72 10.391 -2.969 2.546 1.00 20.54 C ATOM 1125 O LYS A 72 10.946 -4.039 2.289 1.00 12.23 O ATOM 1126 CB LYS A 72 11.144 -1.569 4.484 1.00 74.31 C ATOM 1127 CG LYS A 72 11.725 -2.778 5.258 1.00 25.20 C ATOM 1128 CD LYS A 72 11.555 -2.677 6.789 1.00 50.33 C ATOM 1129 CE LYS A 72 12.134 -3.908 7.508 1.00 44.25 C ATOM 1130 NZ LYS A 72 11.938 -3.857 8.979 1.00 25.13 N ATOM 0 H LYS A 72 10.197 0.097 2.840 1.00 74.20 H new ATOM 0 HA LYS A 72 12.253 -1.871 2.660 1.00 53.34 H new ATOM 0 HB2 LYS A 72 11.690 -0.669 4.766 1.00 74.31 H new ATOM 0 HB3 LYS A 72 10.107 -1.419 4.783 1.00 74.31 H new ATOM 0 HG2 LYS A 72 11.240 -3.689 4.907 1.00 25.20 H new ATOM 0 HG3 LYS A 72 12.786 -2.871 5.025 1.00 25.20 H new ATOM 0 HD2 LYS A 72 12.051 -1.777 7.152 1.00 50.33 H new ATOM 0 HD3 LYS A 72 10.497 -2.578 7.032 1.00 50.33 H new ATOM 0 HE2 LYS A 72 11.663 -4.809 7.114 1.00 44.25 H new ATOM 0 HE3 LYS A 72 13.199 -3.983 7.290 1.00 44.25 H new ATOM 0 HZ1 LYS A 72 12.346 -4.709 9.413 1.00 25.13 H new ATOM 0 HZ2 LYS A 72 12.409 -3.013 9.363 1.00 25.13 H new ATOM 0 HZ3 LYS A 72 10.921 -3.813 9.192 1.00 25.13 H new ATOM 1144 N SER A 73 9.061 -2.793 2.518 1.00 0.32 N ATOM 1145 CA SER A 73 8.125 -3.830 2.088 1.00 2.45 C ATOM 1146 C SER A 73 8.353 -4.188 0.601 1.00 43.15 C ATOM 1147 O SER A 73 8.084 -5.317 0.200 1.00 11.14 O ATOM 1148 CB SER A 73 6.680 -3.361 2.340 1.00 3.14 C ATOM 1149 OG SER A 73 6.459 -3.102 3.715 1.00 73.22 O ATOM 0 H SER A 73 8.608 -1.922 2.795 1.00 0.32 H new ATOM 0 HA SER A 73 8.299 -4.735 2.670 1.00 2.45 H new ATOM 0 HB2 SER A 73 6.481 -2.459 1.761 1.00 3.14 H new ATOM 0 HB3 SER A 73 5.982 -4.123 1.994 1.00 3.14 H new ATOM 0 HG SER A 73 6.929 -2.281 3.973 1.00 73.22 H new ATOM 1155 N LEU A 74 8.830 -3.199 -0.193 1.00 54.43 N ATOM 1156 CA LEU A 74 9.297 -3.414 -1.576 1.00 21.12 C ATOM 1157 C LEU A 74 10.561 -4.281 -1.601 1.00 41.23 C ATOM 1158 O LEU A 74 10.633 -5.209 -2.399 1.00 41.31 O ATOM 1159 CB LEU A 74 9.531 -2.054 -2.305 1.00 60.44 C ATOM 1160 CG LEU A 74 8.261 -1.454 -2.966 1.00 34.33 C ATOM 1161 CD1 LEU A 74 8.442 0.011 -3.373 1.00 65.23 C ATOM 1162 CD2 LEU A 74 7.834 -2.309 -4.178 1.00 71.22 C ATOM 0 H LEU A 74 8.900 -2.228 0.113 1.00 54.43 H new ATOM 0 HA LEU A 74 8.516 -3.950 -2.115 1.00 21.12 H new ATOM 0 HB2 LEU A 74 9.927 -1.335 -1.588 1.00 60.44 H new ATOM 0 HB3 LEU A 74 10.294 -2.193 -3.071 1.00 60.44 H new ATOM 0 HG LEU A 74 7.470 -1.474 -2.216 1.00 34.33 H new ATOM 0 HD11 LEU A 74 7.523 0.378 -3.830 1.00 65.23 H new ATOM 0 HD12 LEU A 74 8.672 0.608 -2.491 1.00 65.23 H new ATOM 0 HD13 LEU A 74 9.260 0.091 -4.089 1.00 65.23 H new ATOM 0 HD21 LEU A 74 6.942 -1.877 -4.632 1.00 71.22 H new ATOM 0 HD22 LEU A 74 8.641 -2.330 -4.911 1.00 71.22 H new ATOM 0 HD23 LEU A 74 7.617 -3.325 -3.848 1.00 71.22 H new ATOM 1174 N SER A 75 11.537 -3.980 -0.720 1.00 43.21 N ATOM 1175 CA SER A 75 12.799 -4.743 -0.626 1.00 63.15 C ATOM 1176 C SER A 75 12.504 -6.220 -0.325 1.00 61.15 C ATOM 1177 O SER A 75 12.961 -7.113 -1.046 1.00 41.03 O ATOM 1178 CB SER A 75 13.725 -4.120 0.456 1.00 75.41 C ATOM 1179 OG SER A 75 14.992 -4.765 0.507 1.00 35.14 O ATOM 0 H SER A 75 11.474 -3.207 -0.058 1.00 43.21 H new ATOM 0 HA SER A 75 13.319 -4.692 -1.583 1.00 63.15 H new ATOM 0 HB2 SER A 75 13.866 -3.060 0.246 1.00 75.41 H new ATOM 0 HB3 SER A 75 13.242 -4.191 1.431 1.00 75.41 H new ATOM 0 HG SER A 75 14.867 -5.716 0.708 1.00 35.14 H new ATOM 1185 N GLU A 76 11.666 -6.446 0.701 1.00 72.22 N ATOM 1186 CA GLU A 76 11.201 -7.782 1.097 1.00 50.25 C ATOM 1187 C GLU A 76 10.400 -8.463 -0.029 1.00 11.32 C ATOM 1188 O GLU A 76 10.503 -9.677 -0.221 1.00 11.13 O ATOM 1189 CB GLU A 76 10.342 -7.677 2.382 1.00 74.52 C ATOM 1190 CG GLU A 76 11.114 -7.193 3.631 1.00 24.24 C ATOM 1191 CD GLU A 76 12.274 -8.128 4.043 1.00 50.12 C ATOM 1192 OE1 GLU A 76 12.009 -9.308 4.366 1.00 22.20 O ATOM 1193 OE2 GLU A 76 13.447 -7.692 4.052 1.00 2.44 O ATOM 0 H GLU A 76 11.290 -5.698 1.283 1.00 72.22 H new ATOM 0 HA GLU A 76 12.077 -8.400 1.295 1.00 50.25 H new ATOM 0 HB2 GLU A 76 9.513 -6.994 2.195 1.00 74.52 H new ATOM 0 HB3 GLU A 76 9.908 -8.654 2.595 1.00 74.52 H new ATOM 0 HG2 GLU A 76 11.512 -6.197 3.438 1.00 24.24 H new ATOM 0 HG3 GLU A 76 10.418 -7.102 4.465 1.00 24.24 H new ATOM 1200 N ALA A 77 9.620 -7.656 -0.770 1.00 24.45 N ATOM 1201 CA ALA A 77 8.797 -8.138 -1.881 1.00 72.13 C ATOM 1202 C ALA A 77 9.668 -8.696 -3.015 1.00 5.33 C ATOM 1203 O ALA A 77 9.425 -9.797 -3.495 1.00 44.34 O ATOM 1204 CB ALA A 77 7.885 -7.015 -2.401 1.00 53.04 C ATOM 0 H ALA A 77 9.546 -6.651 -0.611 1.00 24.45 H new ATOM 0 HA ALA A 77 8.172 -8.950 -1.510 1.00 72.13 H new ATOM 0 HB1 ALA A 77 7.280 -7.390 -3.227 1.00 53.04 H new ATOM 0 HB2 ALA A 77 7.231 -6.676 -1.597 1.00 53.04 H new ATOM 0 HB3 ALA A 77 8.496 -6.182 -2.748 1.00 53.04 H new ATOM 1210 N TYR A 78 10.710 -7.945 -3.404 1.00 15.45 N ATOM 1211 CA TYR A 78 11.618 -8.351 -4.488 1.00 44.03 C ATOM 1212 C TYR A 78 12.406 -9.609 -4.111 1.00 51.42 C ATOM 1213 O TYR A 78 12.743 -10.397 -4.983 1.00 11.53 O ATOM 1214 CB TYR A 78 12.575 -7.199 -4.878 1.00 72.10 C ATOM 1215 CG TYR A 78 11.872 -6.062 -5.633 1.00 52.02 C ATOM 1216 CD1 TYR A 78 11.291 -6.286 -6.884 1.00 44.41 C ATOM 1217 CD2 TYR A 78 11.766 -4.783 -5.093 1.00 50.23 C ATOM 1218 CE1 TYR A 78 10.641 -5.274 -7.558 1.00 3.05 C ATOM 1219 CE2 TYR A 78 11.115 -3.780 -5.761 1.00 25.02 C ATOM 1220 CZ TYR A 78 10.553 -4.023 -6.992 1.00 0.35 C ATOM 1221 OH TYR A 78 9.891 -3.018 -7.664 1.00 11.13 O ATOM 0 H TYR A 78 10.946 -7.047 -2.981 1.00 15.45 H new ATOM 0 HA TYR A 78 11.005 -8.588 -5.357 1.00 44.03 H new ATOM 0 HB2 TYR A 78 13.037 -6.797 -3.976 1.00 72.10 H new ATOM 0 HB3 TYR A 78 13.379 -7.596 -5.498 1.00 72.10 H new ATOM 0 HD1 TYR A 78 11.352 -7.268 -7.330 1.00 44.41 H new ATOM 0 HD2 TYR A 78 12.206 -4.578 -4.128 1.00 50.23 H new ATOM 0 HE1 TYR A 78 10.202 -5.463 -8.527 1.00 3.05 H new ATOM 0 HE2 TYR A 78 11.043 -2.797 -5.320 1.00 25.02 H new ATOM 0 HH TYR A 78 9.916 -2.196 -7.131 1.00 11.13 H new ATOM 1231 N GLN A 79 12.680 -9.778 -2.811 1.00 75.30 N ATOM 1232 CA GLN A 79 13.318 -10.990 -2.262 1.00 55.52 C ATOM 1233 C GLN A 79 12.376 -12.212 -2.352 1.00 70.35 C ATOM 1234 O GLN A 79 12.841 -13.357 -2.465 1.00 40.45 O ATOM 1235 CB GLN A 79 13.741 -10.716 -0.793 1.00 25.50 C ATOM 1236 CG GLN A 79 14.872 -9.664 -0.650 1.00 35.52 C ATOM 1237 CD GLN A 79 14.924 -8.942 0.704 1.00 31.21 C ATOM 1238 OE1 GLN A 79 15.360 -7.792 0.777 1.00 12.22 O ATOM 1239 NE2 GLN A 79 14.489 -9.583 1.777 1.00 61.12 N ATOM 0 H GLN A 79 12.465 -9.076 -2.103 1.00 75.30 H new ATOM 0 HA GLN A 79 14.202 -11.228 -2.854 1.00 55.52 H new ATOM 0 HB2 GLN A 79 12.870 -10.377 -0.232 1.00 25.50 H new ATOM 0 HB3 GLN A 79 14.069 -11.651 -0.339 1.00 25.50 H new ATOM 0 HG2 GLN A 79 15.829 -10.158 -0.818 1.00 35.52 H new ATOM 0 HG3 GLN A 79 14.755 -8.919 -1.437 1.00 35.52 H new ATOM 0 HE21 GLN A 79 14.132 -10.535 1.693 1.00 61.12 H new ATOM 0 HE22 GLN A 79 14.510 -9.125 2.688 1.00 61.12 H new ATOM 1248 N LYS A 80 11.053 -11.957 -2.281 1.00 14.13 N ATOM 1249 CA LYS A 80 10.010 -13.002 -2.404 1.00 12.51 C ATOM 1250 C LYS A 80 9.712 -13.336 -3.882 1.00 61.54 C ATOM 1251 O LYS A 80 9.274 -14.452 -4.198 1.00 33.21 O ATOM 1252 CB LYS A 80 8.727 -12.569 -1.644 1.00 12.34 C ATOM 1253 CG LYS A 80 8.892 -12.543 -0.103 1.00 32.04 C ATOM 1254 CD LYS A 80 7.599 -12.152 0.656 1.00 14.43 C ATOM 1255 CE LYS A 80 6.396 -13.065 0.321 1.00 54.25 C ATOM 1256 NZ LYS A 80 6.689 -14.510 0.523 1.00 60.31 N ATOM 0 H LYS A 80 10.675 -11.021 -2.137 1.00 14.13 H new ATOM 0 HA LYS A 80 10.386 -13.917 -1.946 1.00 12.51 H new ATOM 0 HB2 LYS A 80 8.431 -11.577 -1.985 1.00 12.34 H new ATOM 0 HB3 LYS A 80 7.916 -13.250 -1.902 1.00 12.34 H new ATOM 0 HG2 LYS A 80 9.218 -13.527 0.235 1.00 32.04 H new ATOM 0 HG3 LYS A 80 9.682 -11.839 0.157 1.00 32.04 H new ATOM 0 HD2 LYS A 80 7.789 -12.191 1.729 1.00 14.43 H new ATOM 0 HD3 LYS A 80 7.342 -11.120 0.415 1.00 14.43 H new ATOM 0 HE2 LYS A 80 5.547 -12.782 0.943 1.00 54.25 H new ATOM 0 HE3 LYS A 80 6.100 -12.901 -0.715 1.00 54.25 H new ATOM 0 HZ1 LYS A 80 5.842 -15.071 0.299 1.00 60.31 H new ATOM 0 HZ2 LYS A 80 7.469 -14.797 -0.102 1.00 60.31 H new ATOM 0 HZ3 LYS A 80 6.961 -14.674 1.513 1.00 60.31 H new ATOM 1270 N VAL A 81 9.947 -12.361 -4.774 1.00 32.10 N ATOM 1271 CA VAL A 81 9.896 -12.557 -6.237 1.00 45.13 C ATOM 1272 C VAL A 81 11.122 -13.373 -6.691 1.00 31.33 C ATOM 1273 O VAL A 81 11.008 -14.332 -7.463 1.00 11.34 O ATOM 1274 CB VAL A 81 9.869 -11.162 -6.981 1.00 5.33 C ATOM 1275 CG1 VAL A 81 10.059 -11.303 -8.509 1.00 34.32 C ATOM 1276 CG2 VAL A 81 8.564 -10.397 -6.666 1.00 63.24 C ATOM 0 H VAL A 81 10.180 -11.406 -4.501 1.00 32.10 H new ATOM 0 HA VAL A 81 8.986 -13.101 -6.489 1.00 45.13 H new ATOM 0 HB VAL A 81 10.715 -10.588 -6.604 1.00 5.33 H new ATOM 0 HG11 VAL A 81 10.032 -10.316 -8.972 1.00 34.32 H new ATOM 0 HG12 VAL A 81 11.020 -11.774 -8.714 1.00 34.32 H new ATOM 0 HG13 VAL A 81 9.258 -11.918 -8.920 1.00 34.32 H new ATOM 0 HG21 VAL A 81 8.568 -9.440 -7.189 1.00 63.24 H new ATOM 0 HG22 VAL A 81 7.708 -10.987 -6.995 1.00 63.24 H new ATOM 0 HG23 VAL A 81 8.494 -10.223 -5.592 1.00 63.24 H new