USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 677 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 2 THR OG1 : rot -90:sc= -0.823 USER MOD Set 1.2: A 97 ASN : amide:sc= -0.709 K(o=-1.5,f=-2.3) USER MOD Set 2.1: A 61 HIS : no HD1:sc= -0.986 K(o=-1.6,f=-4.3) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= -0.616 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -1.18 USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0356 (180deg=0) USER MOD Single : A 3 SER OG : rot -113:sc= 0.0809 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 140:sc= -1.03 (180deg=-2.69!) USER MOD Single : A 12 SER OG : rot 55:sc= 1.08 USER MOD Single : A 16 THR OG1 : rot -22:sc= 0.118 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.587 X(o=-0.59,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 140:sc= 0.00541 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 123:sc= 0.73 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 49 SER OG : rot 23:sc= 0.00409 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 57 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.31) USER MOD Single : A 58 SER OG : rot 45:sc= 0.135 USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0176) USER MOD Single : A 66 ASN : amide:sc= -3.83 K(o=-3.8,f=-1.9) USER MOD Single : A 70 ASN : amide:sc= -1.65 K(o=-1.6,f=-2.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 28:sc= 0.104 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 CYS SG : rot -116:sc= 0.378 USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.17) USER MOD Single : A 100 SER OG : rot -160:sc= 0 USER MOD Single : A 101 CYS SG : rot 161:sc= -0.786 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.282 22.418 24.572 1.00 34.03 N ATOM 2 CA ALA A 1 -8.649 22.036 24.906 1.00 11.41 C ATOM 3 C ALA A 1 -9.468 21.773 23.647 1.00 43.12 C ATOM 4 O ALA A 1 -9.230 22.377 22.600 1.00 50.30 O ATOM 5 CB ALA A 1 -9.307 23.117 25.750 1.00 32.32 C ATOM 0 H1 ALA A 1 -6.986 23.212 25.175 1.00 34.03 H new ATOM 0 H2 ALA A 1 -6.647 21.609 24.728 1.00 34.03 H new ATOM 0 H3 ALA A 1 -7.236 22.706 23.574 1.00 34.03 H new ATOM 0 HA ALA A 1 -8.612 21.112 25.483 1.00 11.41 H new ATOM 0 HB1 ALA A 1 -10.327 22.819 25.992 1.00 32.32 H new ATOM 0 HB2 ALA A 1 -8.741 23.254 26.671 1.00 32.32 H new ATOM 0 HB3 ALA A 1 -9.325 24.053 25.192 1.00 32.32 H new ATOM 11 N THR A 2 -10.437 20.869 23.754 1.00 30.24 N ATOM 12 CA THR A 2 -11.291 20.525 22.624 1.00 53.15 C ATOM 13 C THR A 2 -12.624 19.956 23.096 1.00 12.11 C ATOM 14 O THR A 2 -12.749 19.505 24.235 1.00 41.42 O ATOM 15 CB THR A 2 -10.609 19.503 21.695 1.00 11.20 C ATOM 16 OG1 THR A 2 -11.458 19.213 20.580 1.00 24.22 O ATOM 17 CG2 THR A 2 -10.291 18.218 22.445 1.00 11.51 C ATOM 0 H THR A 2 -10.650 20.362 24.613 1.00 30.24 H new ATOM 0 HA THR A 2 -11.468 21.447 22.070 1.00 53.15 H new ATOM 0 HB THR A 2 -9.675 19.936 21.337 1.00 11.20 H new ATOM 0 HG1 THR A 2 -12.039 18.455 20.800 1.00 24.22 H new ATOM 0 HG21 THR A 2 -9.810 17.511 21.769 1.00 11.51 H new ATOM 0 HG22 THR A 2 -9.621 18.438 23.276 1.00 11.51 H new ATOM 0 HG23 THR A 2 -11.214 17.783 22.828 1.00 11.51 H new ATOM 25 N SER A 3 -13.617 19.979 22.213 1.00 1.20 N ATOM 26 CA SER A 3 -14.943 19.468 22.541 1.00 11.50 C ATOM 27 C SER A 3 -15.512 18.652 21.383 1.00 72.21 C ATOM 28 O SER A 3 -16.089 19.202 20.447 1.00 10.30 O ATOM 29 CB SER A 3 -15.889 20.622 22.879 1.00 12.34 C ATOM 30 OG SER A 3 -16.849 20.229 23.844 1.00 34.13 O ATOM 0 H SER A 3 -13.529 20.346 21.265 1.00 1.20 H new ATOM 0 HA SER A 3 -14.850 18.818 23.411 1.00 11.50 H new ATOM 0 HB2 SER A 3 -15.315 21.468 23.256 1.00 12.34 H new ATOM 0 HB3 SER A 3 -16.395 20.958 21.974 1.00 12.34 H new ATOM 0 HG SER A 3 -17.740 20.223 23.436 1.00 34.13 H new ATOM 36 N ALA A 4 -15.344 17.336 21.457 1.00 33.33 N ATOM 37 CA ALA A 4 -15.842 16.443 20.419 1.00 12.03 C ATOM 38 C ALA A 4 -15.982 15.017 20.941 1.00 42.23 C ATOM 39 O ALA A 4 -15.153 14.545 21.721 1.00 13.51 O ATOM 40 CB ALA A 4 -14.920 16.475 19.209 1.00 51.12 C ATOM 0 H ALA A 4 -14.867 16.865 22.225 1.00 33.33 H new ATOM 0 HA ALA A 4 -16.831 16.791 20.119 1.00 12.03 H new ATOM 0 HB1 ALA A 4 -15.304 15.803 18.441 1.00 51.12 H new ATOM 0 HB2 ALA A 4 -14.874 17.490 18.813 1.00 51.12 H new ATOM 0 HB3 ALA A 4 -13.921 16.155 19.504 1.00 51.12 H new ATOM 46 N THR A 5 -17.037 14.333 20.507 1.00 52.03 N ATOM 47 CA THR A 5 -17.287 12.962 20.933 1.00 54.21 C ATOM 48 C THR A 5 -17.370 12.022 19.736 1.00 3.31 C ATOM 49 O THR A 5 -17.749 12.431 18.639 1.00 20.51 O ATOM 50 CB THR A 5 -18.588 12.855 21.749 1.00 4.34 C ATOM 51 OG1 THR A 5 -18.611 13.857 22.770 1.00 52.44 O ATOM 52 CG2 THR A 5 -18.720 11.477 22.379 1.00 25.13 C ATOM 0 H THR A 5 -17.732 14.707 19.861 1.00 52.03 H new ATOM 0 HA THR A 5 -16.448 12.669 21.564 1.00 54.21 H new ATOM 0 HB THR A 5 -19.428 13.009 21.072 1.00 4.34 H new ATOM 0 HG1 THR A 5 -19.443 13.782 23.283 1.00 52.44 H new ATOM 0 HG21 THR A 5 -19.647 11.425 22.950 1.00 25.13 H new ATOM 0 HG22 THR A 5 -18.734 10.719 21.596 1.00 25.13 H new ATOM 0 HG23 THR A 5 -17.874 11.298 23.043 1.00 25.13 H new ATOM 60 N ALA A 6 -17.015 10.760 19.955 1.00 52.31 N ATOM 61 CA ALA A 6 -17.053 9.762 18.894 1.00 33.32 C ATOM 62 C ALA A 6 -18.072 8.671 19.203 1.00 23.44 C ATOM 63 O ALA A 6 -18.396 8.420 20.365 1.00 31.42 O ATOM 64 CB ALA A 6 -15.672 9.154 18.691 1.00 4.14 C ATOM 0 H ALA A 6 -16.698 10.405 20.857 1.00 52.31 H new ATOM 0 HA ALA A 6 -17.359 10.259 17.973 1.00 33.32 H new ATOM 0 HB1 ALA A 6 -15.715 8.410 17.895 1.00 4.14 H new ATOM 0 HB2 ALA A 6 -14.966 9.938 18.417 1.00 4.14 H new ATOM 0 HB3 ALA A 6 -15.345 8.678 19.615 1.00 4.14 H new ATOM 70 N THR A 7 -18.577 8.024 18.157 1.00 23.21 N ATOM 71 CA THR A 7 -19.562 6.961 18.317 1.00 14.21 C ATOM 72 C THR A 7 -19.204 5.748 17.466 1.00 43.21 C ATOM 73 O THR A 7 -19.256 5.803 16.236 1.00 72.35 O ATOM 74 CB THR A 7 -20.974 7.443 17.937 1.00 65.51 C ATOM 75 OG1 THR A 7 -21.075 8.860 18.119 1.00 55.22 O ATOM 76 CG2 THR A 7 -22.029 6.743 18.781 1.00 24.21 C ATOM 0 H THR A 7 -18.320 8.218 17.189 1.00 23.21 H new ATOM 0 HA THR A 7 -19.554 6.678 19.369 1.00 14.21 H new ATOM 0 HB THR A 7 -21.147 7.199 16.889 1.00 65.51 H new ATOM 0 HG1 THR A 7 -21.976 9.158 17.873 1.00 55.22 H new ATOM 0 HG21 THR A 7 -23.019 7.099 18.495 1.00 24.21 H new ATOM 0 HG22 THR A 7 -21.970 5.667 18.619 1.00 24.21 H new ATOM 0 HG23 THR A 7 -21.855 6.961 19.835 1.00 24.21 H new ATOM 84 N PHE A 8 -18.843 4.653 18.126 1.00 44.42 N ATOM 85 CA PHE A 8 -18.478 3.425 17.429 1.00 52.42 C ATOM 86 C PHE A 8 -19.715 2.725 16.875 1.00 74.31 C ATOM 87 O PHE A 8 -20.670 2.460 17.605 1.00 33.32 O ATOM 88 CB PHE A 8 -17.723 2.484 18.371 1.00 43.42 C ATOM 89 CG PHE A 8 -17.231 1.234 17.701 1.00 12.44 C ATOM 90 CD1 PHE A 8 -16.466 1.305 16.547 1.00 23.51 C ATOM 91 CD2 PHE A 8 -17.534 -0.013 18.223 1.00 73.55 C ATOM 92 CE1 PHE A 8 -16.012 0.155 15.929 1.00 53.44 C ATOM 93 CE2 PHE A 8 -17.082 -1.166 17.610 1.00 3.11 C ATOM 94 CZ PHE A 8 -16.320 -1.081 16.460 1.00 64.51 C ATOM 0 H PHE A 8 -18.795 4.591 19.143 1.00 44.42 H new ATOM 0 HA PHE A 8 -17.829 3.690 16.594 1.00 52.42 H new ATOM 0 HB2 PHE A 8 -16.873 3.016 18.799 1.00 43.42 H new ATOM 0 HB3 PHE A 8 -18.377 2.210 19.199 1.00 43.42 H new ATOM 0 HD1 PHE A 8 -16.222 2.269 16.126 1.00 23.51 H new ATOM 0 HD2 PHE A 8 -18.131 -0.085 19.120 1.00 73.55 H new ATOM 0 HE1 PHE A 8 -15.416 0.224 15.031 1.00 53.44 H new ATOM 0 HE2 PHE A 8 -17.324 -2.132 18.029 1.00 3.11 H new ATOM 0 HZ PHE A 8 -15.966 -1.980 15.978 1.00 64.51 H new ATOM 104 N ALA A 9 -19.689 2.429 15.580 1.00 65.23 N ATOM 105 CA ALA A 9 -20.808 1.758 14.928 1.00 63.10 C ATOM 106 C ALA A 9 -20.325 0.592 14.073 1.00 12.44 C ATOM 107 O ALA A 9 -19.149 0.514 13.716 1.00 52.10 O ATOM 108 CB ALA A 9 -21.594 2.747 14.081 1.00 24.54 C ATOM 0 H ALA A 9 -18.906 2.643 14.962 1.00 65.23 H new ATOM 0 HA ALA A 9 -21.463 1.359 15.703 1.00 63.10 H new ATOM 0 HB1 ALA A 9 -22.426 2.233 13.600 1.00 24.54 H new ATOM 0 HB2 ALA A 9 -21.979 3.545 14.716 1.00 24.54 H new ATOM 0 HB3 ALA A 9 -20.941 3.173 13.319 1.00 24.54 H new ATOM 114 N LYS A 10 -21.240 -0.315 13.746 1.00 12.21 N ATOM 115 CA LYS A 10 -20.909 -1.478 12.932 1.00 31.12 C ATOM 116 C LYS A 10 -21.393 -1.294 11.498 1.00 4.20 C ATOM 117 O LYS A 10 -22.333 -0.541 11.240 1.00 44.05 O ATOM 118 CB LYS A 10 -21.530 -2.741 13.533 1.00 70.11 C ATOM 119 CG LYS A 10 -20.541 -3.880 13.707 1.00 31.44 C ATOM 120 CD LYS A 10 -20.502 -4.776 12.480 1.00 3.32 C ATOM 121 CE LYS A 10 -19.103 -5.319 12.230 1.00 70.42 C ATOM 122 NZ LYS A 10 -18.668 -6.247 13.311 1.00 33.13 N ATOM 0 H LYS A 10 -22.218 -0.266 14.033 1.00 12.21 H new ATOM 0 HA LYS A 10 -19.824 -1.584 12.920 1.00 31.12 H new ATOM 0 HB2 LYS A 10 -21.964 -2.497 14.502 1.00 70.11 H new ATOM 0 HB3 LYS A 10 -22.347 -3.074 12.893 1.00 70.11 H new ATOM 0 HG2 LYS A 10 -19.547 -3.475 13.894 1.00 31.44 H new ATOM 0 HG3 LYS A 10 -20.815 -4.470 14.581 1.00 31.44 H new ATOM 0 HD2 LYS A 10 -21.197 -5.605 12.612 1.00 3.32 H new ATOM 0 HD3 LYS A 10 -20.837 -4.215 11.608 1.00 3.32 H new ATOM 0 HE2 LYS A 10 -19.081 -5.840 11.273 1.00 70.42 H new ATOM 0 HE3 LYS A 10 -18.399 -4.490 12.158 1.00 70.42 H new ATOM 0 HZ1 LYS A 10 -18.156 -7.050 12.894 1.00 33.13 H new ATOM 0 HZ2 LYS A 10 -18.042 -5.742 13.971 1.00 33.13 H new ATOM 0 HZ3 LYS A 10 -19.502 -6.597 13.824 1.00 33.13 H new ATOM 136 N THR A 11 -20.748 -1.988 10.566 1.00 12.32 N ATOM 137 CA THR A 11 -21.113 -1.901 9.157 1.00 74.44 C ATOM 138 C THR A 11 -21.500 -3.268 8.605 1.00 53.50 C ATOM 139 O THR A 11 -22.608 -3.453 8.101 1.00 75.02 O ATOM 140 CB THR A 11 -19.961 -1.325 8.312 1.00 33.00 C ATOM 141 OG1 THR A 11 -19.028 -0.642 9.157 1.00 21.15 O ATOM 142 CG2 THR A 11 -20.491 -0.368 7.255 1.00 73.03 C ATOM 0 H THR A 11 -19.969 -2.617 10.761 1.00 12.32 H new ATOM 0 HA THR A 11 -21.970 -1.230 9.093 1.00 74.44 H new ATOM 0 HB THR A 11 -19.458 -2.152 7.811 1.00 33.00 H new ATOM 0 HG1 THR A 11 -18.298 -0.280 8.613 1.00 21.15 H new ATOM 0 HG21 THR A 11 -19.659 0.026 6.671 1.00 73.03 H new ATOM 0 HG22 THR A 11 -21.178 -0.898 6.596 1.00 73.03 H new ATOM 0 HG23 THR A 11 -21.016 0.455 7.740 1.00 73.03 H new ATOM 150 N SER A 12 -20.580 -4.222 8.702 1.00 11.32 N ATOM 151 CA SER A 12 -20.825 -5.573 8.208 1.00 44.24 C ATOM 152 C SER A 12 -19.616 -6.469 8.457 1.00 51.41 C ATOM 153 O SER A 12 -18.483 -6.104 8.140 1.00 74.35 O ATOM 154 CB SER A 12 -21.152 -5.540 6.714 1.00 21.21 C ATOM 155 OG SER A 12 -22.552 -5.576 6.497 1.00 50.01 O ATOM 0 H SER A 12 -19.659 -4.085 9.118 1.00 11.32 H new ATOM 0 HA SER A 12 -21.677 -5.984 8.750 1.00 44.24 H new ATOM 0 HB2 SER A 12 -20.735 -4.638 6.267 1.00 21.21 H new ATOM 0 HB3 SER A 12 -20.682 -6.389 6.217 1.00 21.21 H new ATOM 0 HG SER A 12 -22.979 -4.847 6.994 1.00 50.01 H new ATOM 161 N ASP A 13 -19.865 -7.644 9.024 1.00 70.44 N ATOM 162 CA ASP A 13 -18.798 -8.594 9.316 1.00 43.31 C ATOM 163 C ASP A 13 -18.971 -9.872 8.501 1.00 44.34 C ATOM 164 O ASP A 13 -20.039 -10.485 8.510 1.00 35.30 O ATOM 165 CB ASP A 13 -18.774 -8.926 10.809 1.00 44.35 C ATOM 166 CG ASP A 13 -20.164 -8.973 11.413 1.00 62.45 C ATOM 167 OD1 ASP A 13 -20.699 -7.897 11.754 1.00 33.31 O ATOM 168 OD2 ASP A 13 -20.716 -10.085 11.546 1.00 3.14 O ATOM 0 H ASP A 13 -20.797 -7.962 9.291 1.00 70.44 H new ATOM 0 HA ASP A 13 -17.850 -8.133 9.040 1.00 43.31 H new ATOM 0 HB2 ASP A 13 -18.284 -9.888 10.957 1.00 44.35 H new ATOM 0 HB3 ASP A 13 -18.177 -8.181 11.335 1.00 44.35 H new ATOM 173 N TRP A 14 -17.916 -10.265 7.796 1.00 22.41 N ATOM 174 CA TRP A 14 -17.953 -11.470 6.974 1.00 74.42 C ATOM 175 C TRP A 14 -17.069 -12.561 7.568 1.00 14.42 C ATOM 176 O TRP A 14 -15.927 -12.745 7.146 1.00 51.50 O ATOM 177 CB TRP A 14 -17.505 -11.152 5.547 1.00 75.44 C ATOM 178 CG TRP A 14 -16.266 -10.310 5.487 1.00 65.21 C ATOM 179 CD1 TRP A 14 -14.987 -10.746 5.295 1.00 33.40 C ATOM 180 CD2 TRP A 14 -16.191 -8.887 5.623 1.00 4.31 C ATOM 181 NE1 TRP A 14 -14.121 -9.679 5.302 1.00 73.44 N ATOM 182 CE2 TRP A 14 -14.835 -8.528 5.501 1.00 71.13 C ATOM 183 CE3 TRP A 14 -17.138 -7.879 5.832 1.00 24.35 C ATOM 184 CZ2 TRP A 14 -14.404 -7.206 5.584 1.00 44.51 C ATOM 185 CZ3 TRP A 14 -16.710 -6.569 5.915 1.00 13.43 C ATOM 186 CH2 TRP A 14 -15.353 -6.241 5.789 1.00 71.54 C ATOM 0 H TRP A 14 -17.026 -9.768 7.777 1.00 22.41 H new ATOM 0 HA TRP A 14 -18.980 -11.834 6.951 1.00 74.42 H new ATOM 0 HB2 TRP A 14 -17.327 -12.086 5.013 1.00 75.44 H new ATOM 0 HB3 TRP A 14 -18.312 -10.636 5.027 1.00 75.44 H new ATOM 0 HD1 TRP A 14 -14.698 -11.778 5.158 1.00 33.40 H new ATOM 0 HE1 TRP A 14 -13.110 -9.735 5.179 1.00 73.44 H new ATOM 0 HE3 TRP A 14 -18.186 -8.121 5.927 1.00 24.35 H new ATOM 0 HZ2 TRP A 14 -13.359 -6.952 5.490 1.00 44.51 H new ATOM 0 HZ3 TRP A 14 -17.433 -5.784 6.080 1.00 13.43 H new ATOM 0 HH2 TRP A 14 -15.050 -5.206 5.855 1.00 71.54 H new ATOM 197 N GLY A 15 -17.602 -13.282 8.549 1.00 14.31 N ATOM 198 CA GLY A 15 -16.846 -14.346 9.183 1.00 72.11 C ATOM 199 C GLY A 15 -15.763 -13.818 10.104 1.00 0.44 C ATOM 200 O GLY A 15 -15.982 -13.652 11.304 1.00 21.14 O ATOM 0 H GLY A 15 -18.544 -13.148 8.916 1.00 14.31 H new ATOM 0 HA2 GLY A 15 -17.525 -14.981 9.752 1.00 72.11 H new ATOM 0 HA3 GLY A 15 -16.392 -14.973 8.415 1.00 72.11 H new ATOM 204 N THR A 16 -14.587 -13.554 9.541 1.00 33.23 N ATOM 205 CA THR A 16 -13.465 -13.045 10.319 1.00 42.42 C ATOM 206 C THR A 16 -13.310 -11.538 10.138 1.00 32.22 C ATOM 207 O THR A 16 -12.647 -10.874 10.934 1.00 4.21 O ATOM 208 CB THR A 16 -12.147 -13.736 9.922 1.00 63.23 C ATOM 209 OG1 THR A 16 -11.057 -13.175 10.662 1.00 51.55 O ATOM 210 CG2 THR A 16 -11.885 -13.587 8.431 1.00 11.14 C ATOM 0 H THR A 16 -14.388 -13.685 8.549 1.00 33.23 H new ATOM 0 HA THR A 16 -13.680 -13.263 11.365 1.00 42.42 H new ATOM 0 HB THR A 16 -12.235 -14.797 10.155 1.00 63.23 H new ATOM 0 HG1 THR A 16 -11.301 -12.279 10.975 1.00 51.55 H new ATOM 0 HG21 THR A 16 -10.949 -14.083 8.175 1.00 11.14 H new ATOM 0 HG22 THR A 16 -12.702 -14.042 7.871 1.00 11.14 H new ATOM 0 HG23 THR A 16 -11.816 -12.529 8.178 1.00 11.14 H new ATOM 218 N GLY A 17 -13.925 -11.006 9.086 1.00 71.53 N ATOM 219 CA GLY A 17 -13.844 -9.581 8.822 1.00 15.04 C ATOM 220 C GLY A 17 -14.946 -8.800 9.509 1.00 11.54 C ATOM 221 O GLY A 17 -16.004 -9.347 9.818 1.00 22.24 O ATOM 0 H GLY A 17 -14.478 -11.536 8.412 1.00 71.53 H new ATOM 0 HA2 GLY A 17 -12.876 -9.207 9.156 1.00 15.04 H new ATOM 0 HA3 GLY A 17 -13.898 -9.410 7.747 1.00 15.04 H new ATOM 225 N PHE A 18 -14.698 -7.517 9.748 1.00 52.34 N ATOM 226 CA PHE A 18 -15.677 -6.659 10.404 1.00 63.32 C ATOM 227 C PHE A 18 -15.630 -5.244 9.835 1.00 12.44 C ATOM 228 O PHE A 18 -14.562 -4.733 9.500 1.00 33.15 O ATOM 229 CB PHE A 18 -15.424 -6.621 11.913 1.00 1.02 C ATOM 230 CG PHE A 18 -14.327 -5.677 12.313 1.00 75.23 C ATOM 231 CD1 PHE A 18 -14.606 -4.351 12.600 1.00 44.30 C ATOM 232 CD2 PHE A 18 -13.016 -6.116 12.404 1.00 32.44 C ATOM 233 CE1 PHE A 18 -13.598 -3.480 12.969 1.00 44.13 C ATOM 234 CE2 PHE A 18 -12.004 -5.250 12.774 1.00 4.32 C ATOM 235 CZ PHE A 18 -12.296 -3.930 13.055 1.00 41.30 C ATOM 0 H PHE A 18 -13.827 -7.048 9.497 1.00 52.34 H new ATOM 0 HA PHE A 18 -16.668 -7.074 10.218 1.00 63.32 H new ATOM 0 HB2 PHE A 18 -16.344 -6.332 12.420 1.00 1.02 H new ATOM 0 HB3 PHE A 18 -15.172 -7.624 12.257 1.00 1.02 H new ATOM 0 HD1 PHE A 18 -15.623 -3.993 12.535 1.00 44.30 H new ATOM 0 HD2 PHE A 18 -12.782 -7.147 12.183 1.00 32.44 H new ATOM 0 HE1 PHE A 18 -13.829 -2.448 13.190 1.00 44.13 H new ATOM 0 HE2 PHE A 18 -10.986 -5.605 12.843 1.00 4.32 H new ATOM 0 HZ PHE A 18 -11.507 -3.251 13.342 1.00 41.30 H new ATOM 245 N GLY A 19 -16.797 -4.616 9.727 1.00 62.51 N ATOM 246 CA GLY A 19 -16.868 -3.267 9.197 1.00 55.31 C ATOM 247 C GLY A 19 -17.015 -2.223 10.285 1.00 32.51 C ATOM 248 O GLY A 19 -18.004 -2.214 11.017 1.00 25.00 O ATOM 0 H GLY A 19 -17.695 -5.018 9.997 1.00 62.51 H new ATOM 0 HA2 GLY A 19 -15.968 -3.060 8.618 1.00 55.31 H new ATOM 0 HA3 GLY A 19 -17.712 -3.194 8.511 1.00 55.31 H new ATOM 252 N GLY A 20 -16.027 -1.341 10.395 1.00 74.34 N ATOM 253 CA GLY A 20 -16.069 -0.301 11.407 1.00 41.14 C ATOM 254 C GLY A 20 -16.681 0.985 10.890 1.00 43.33 C ATOM 255 O GLY A 20 -16.612 1.279 9.696 1.00 55.31 O ATOM 0 H GLY A 20 -15.198 -1.328 9.801 1.00 74.34 H new ATOM 0 HA2 GLY A 20 -16.643 -0.655 12.263 1.00 41.14 H new ATOM 0 HA3 GLY A 20 -15.058 -0.102 11.761 1.00 41.14 H new ATOM 259 N SER A 21 -17.284 1.755 11.789 1.00 65.54 N ATOM 260 CA SER A 21 -17.917 3.015 11.418 1.00 5.45 C ATOM 261 C SER A 21 -17.863 4.012 12.571 1.00 41.40 C ATOM 262 O SER A 21 -18.704 3.985 13.469 1.00 21.13 O ATOM 263 CB SER A 21 -19.371 2.778 11.002 1.00 13.10 C ATOM 264 OG SER A 21 -19.561 3.068 9.628 1.00 25.23 O ATOM 0 H SER A 21 -17.348 1.528 12.781 1.00 65.54 H new ATOM 0 HA SER A 21 -17.368 3.432 10.574 1.00 5.45 H new ATOM 0 HB2 SER A 21 -19.645 1.742 11.200 1.00 13.10 H new ATOM 0 HB3 SER A 21 -20.031 3.403 11.604 1.00 13.10 H new ATOM 0 HG SER A 21 -20.497 2.907 9.386 1.00 25.23 H new ATOM 270 N TRP A 22 -16.868 4.891 12.538 1.00 30.41 N ATOM 271 CA TRP A 22 -16.702 5.898 13.580 1.00 65.13 C ATOM 272 C TRP A 22 -17.458 7.174 13.228 1.00 42.45 C ATOM 273 O TRP A 22 -17.415 7.640 12.089 1.00 13.11 O ATOM 274 CB TRP A 22 -15.219 6.209 13.788 1.00 20.44 C ATOM 275 CG TRP A 22 -14.435 5.040 14.302 1.00 75.12 C ATOM 276 CD1 TRP A 22 -13.671 4.178 13.568 1.00 71.41 C ATOM 277 CD2 TRP A 22 -14.337 4.605 15.663 1.00 64.22 C ATOM 278 NE1 TRP A 22 -13.105 3.234 14.391 1.00 23.41 N ATOM 279 CE2 TRP A 22 -13.499 3.475 15.681 1.00 35.32 C ATOM 280 CE3 TRP A 22 -14.876 5.063 16.869 1.00 5.04 C ATOM 281 CZ2 TRP A 22 -13.188 2.796 16.857 1.00 21.25 C ATOM 282 CZ3 TRP A 22 -14.568 4.389 18.035 1.00 34.11 C ATOM 283 CH2 TRP A 22 -13.730 3.266 18.022 1.00 22.10 C ATOM 0 H TRP A 22 -16.164 4.927 11.801 1.00 30.41 H new ATOM 0 HA TRP A 22 -17.114 5.497 14.506 1.00 65.13 H new ATOM 0 HB2 TRP A 22 -14.788 6.539 12.843 1.00 20.44 H new ATOM 0 HB3 TRP A 22 -15.124 7.038 14.489 1.00 20.44 H new ATOM 0 HD1 TRP A 22 -13.532 4.230 12.498 1.00 71.41 H new ATOM 0 HE1 TRP A 22 -12.491 2.477 14.090 1.00 23.41 H new ATOM 0 HE3 TRP A 22 -15.522 5.928 16.889 1.00 5.04 H new ATOM 0 HZ2 TRP A 22 -12.543 1.930 16.849 1.00 21.25 H new ATOM 0 HZ3 TRP A 22 -14.980 4.733 18.972 1.00 34.11 H new ATOM 0 HH2 TRP A 22 -13.507 2.761 18.950 1.00 22.10 H new ATOM 294 N THR A 23 -18.150 7.739 14.214 1.00 33.24 N ATOM 295 CA THR A 23 -18.915 8.962 14.007 1.00 23.34 C ATOM 296 C THR A 23 -18.340 10.114 14.822 1.00 44.11 C ATOM 297 O THR A 23 -18.565 10.208 16.028 1.00 70.31 O ATOM 298 CB THR A 23 -20.396 8.769 14.386 1.00 62.12 C ATOM 299 OG1 THR A 23 -20.928 7.621 13.715 1.00 11.34 O ATOM 300 CG2 THR A 23 -21.212 9.999 14.021 1.00 65.45 C ATOM 0 H THR A 23 -18.196 7.368 15.163 1.00 33.24 H new ATOM 0 HA THR A 23 -18.847 9.202 12.946 1.00 23.34 H new ATOM 0 HB THR A 23 -20.456 8.619 15.464 1.00 62.12 H new ATOM 0 HG1 THR A 23 -21.869 7.504 13.963 1.00 11.34 H new ATOM 0 HG21 THR A 23 -22.254 9.840 14.298 1.00 65.45 H new ATOM 0 HG22 THR A 23 -20.823 10.866 14.556 1.00 65.45 H new ATOM 0 HG23 THR A 23 -21.145 10.175 12.947 1.00 65.45 H new ATOM 308 N VAL A 24 -17.597 10.991 14.155 1.00 75.04 N ATOM 309 CA VAL A 24 -16.990 12.140 14.818 1.00 1.11 C ATOM 310 C VAL A 24 -17.933 13.337 14.815 1.00 44.03 C ATOM 311 O VAL A 24 -18.504 13.690 13.783 1.00 2.33 O ATOM 312 CB VAL A 24 -15.665 12.543 14.142 1.00 63.30 C ATOM 313 CG1 VAL A 24 -14.931 13.577 14.981 1.00 72.54 C ATOM 314 CG2 VAL A 24 -14.794 11.318 13.907 1.00 72.24 C ATOM 0 H VAL A 24 -17.401 10.928 13.156 1.00 75.04 H new ATOM 0 HA VAL A 24 -16.789 11.842 15.847 1.00 1.11 H new ATOM 0 HB VAL A 24 -15.891 12.991 13.174 1.00 63.30 H new ATOM 0 HG11 VAL A 24 -13.998 13.850 14.488 1.00 72.54 H new ATOM 0 HG12 VAL A 24 -15.555 14.464 15.093 1.00 72.54 H new ATOM 0 HG13 VAL A 24 -14.714 13.160 15.964 1.00 72.54 H new ATOM 0 HG21 VAL A 24 -13.862 11.620 13.429 1.00 72.24 H new ATOM 0 HG22 VAL A 24 -14.574 10.840 14.861 1.00 72.24 H new ATOM 0 HG23 VAL A 24 -15.321 10.615 13.262 1.00 72.24 H new ATOM 324 N LYS A 25 -18.094 13.959 15.978 1.00 71.15 N ATOM 325 CA LYS A 25 -18.968 15.119 16.112 1.00 53.42 C ATOM 326 C LYS A 25 -18.270 16.240 16.876 1.00 54.45 C ATOM 327 O LYS A 25 -17.743 16.027 17.967 1.00 21.24 O ATOM 328 CB LYS A 25 -20.262 14.729 16.828 1.00 62.10 C ATOM 329 CG LYS A 25 -21.265 15.865 16.935 1.00 52.50 C ATOM 330 CD LYS A 25 -22.691 15.366 16.781 1.00 3.22 C ATOM 331 CE LYS A 25 -23.249 14.858 18.101 1.00 22.24 C ATOM 332 NZ LYS A 25 -23.525 13.394 18.060 1.00 62.22 N ATOM 0 H LYS A 25 -17.630 13.679 16.842 1.00 71.15 H new ATOM 0 HA LYS A 25 -19.208 15.479 15.112 1.00 53.42 H new ATOM 0 HB2 LYS A 25 -20.724 13.896 16.297 1.00 62.10 H new ATOM 0 HB3 LYS A 25 -20.020 14.374 17.830 1.00 62.10 H new ATOM 0 HG2 LYS A 25 -21.154 16.360 17.900 1.00 52.50 H new ATOM 0 HG3 LYS A 25 -21.055 16.611 16.168 1.00 52.50 H new ATOM 0 HD2 LYS A 25 -23.321 16.172 16.405 1.00 3.22 H new ATOM 0 HD3 LYS A 25 -22.720 14.566 16.041 1.00 3.22 H new ATOM 0 HE2 LYS A 25 -22.540 15.072 18.901 1.00 22.24 H new ATOM 0 HE3 LYS A 25 -24.168 15.394 18.337 1.00 22.24 H new ATOM 0 HZ1 LYS A 25 -23.904 13.086 18.978 1.00 62.22 H new ATOM 0 HZ2 LYS A 25 -24.220 13.193 17.313 1.00 62.22 H new ATOM 0 HZ3 LYS A 25 -22.643 12.880 17.860 1.00 62.22 H new ATOM 346 N ASN A 26 -18.271 17.436 16.295 1.00 2.12 N ATOM 347 CA ASN A 26 -17.639 18.592 16.922 1.00 31.04 C ATOM 348 C ASN A 26 -18.687 19.591 17.403 1.00 20.32 C ATOM 349 O ASN A 26 -19.610 19.942 16.668 1.00 61.42 O ATOM 350 CB ASN A 26 -16.683 19.271 15.940 1.00 75.21 C ATOM 351 CG ASN A 26 -15.999 18.279 15.019 1.00 55.14 C ATOM 352 OD1 ASN A 26 -16.245 18.262 13.813 1.00 43.03 O ATOM 353 ND2 ASN A 26 -15.132 17.446 15.585 1.00 63.14 N ATOM 0 H ASN A 26 -18.702 17.630 15.391 1.00 2.12 H new ATOM 0 HA ASN A 26 -17.074 18.242 17.786 1.00 31.04 H new ATOM 0 HB2 ASN A 26 -17.235 19.996 15.342 1.00 75.21 H new ATOM 0 HB3 ASN A 26 -15.928 19.826 16.497 1.00 75.21 H new ATOM 0 HD21 ASN A 26 -14.640 16.758 15.015 1.00 63.14 H new ATOM 0 HD22 ASN A 26 -14.958 17.495 16.589 1.00 63.14 H new ATOM 360 N THR A 27 -18.537 20.046 18.643 1.00 63.33 N ATOM 361 CA THR A 27 -19.470 21.003 19.223 1.00 41.15 C ATOM 362 C THR A 27 -18.971 21.509 20.572 1.00 54.53 C ATOM 363 O THR A 27 -18.752 20.728 21.496 1.00 30.21 O ATOM 364 CB THR A 27 -20.869 20.386 19.405 1.00 5.42 C ATOM 365 OG1 THR A 27 -21.721 21.301 20.102 1.00 70.41 O ATOM 366 CG2 THR A 27 -20.787 19.075 20.173 1.00 13.41 C ATOM 0 H THR A 27 -17.778 19.767 19.265 1.00 63.33 H new ATOM 0 HA THR A 27 -19.538 21.839 18.526 1.00 41.15 H new ATOM 0 HB THR A 27 -21.284 20.184 18.418 1.00 5.42 H new ATOM 0 HG1 THR A 27 -22.609 20.902 20.212 1.00 70.41 H new ATOM 0 HG21 THR A 27 -21.787 18.658 20.289 1.00 13.41 H new ATOM 0 HG22 THR A 27 -20.162 18.371 19.625 1.00 13.41 H new ATOM 0 HG23 THR A 27 -20.353 19.256 21.156 1.00 13.41 H new ATOM 374 N GLY A 28 -18.793 22.823 20.679 1.00 1.14 N ATOM 375 CA GLY A 28 -18.322 23.410 21.920 1.00 2.35 C ATOM 376 C GLY A 28 -17.165 24.366 21.705 1.00 62.22 C ATOM 377 O GLY A 28 -17.353 25.583 21.677 1.00 53.50 O ATOM 0 H GLY A 28 -18.967 23.491 19.928 1.00 1.14 H new ATOM 0 HA2 GLY A 28 -19.143 23.940 22.402 1.00 2.35 H new ATOM 0 HA3 GLY A 28 -18.012 22.616 22.600 1.00 2.35 H new ATOM 381 N THR A 29 -15.965 23.815 21.556 1.00 52.43 N ATOM 382 CA THR A 29 -14.773 24.628 21.346 1.00 14.11 C ATOM 383 C THR A 29 -14.929 25.532 20.129 1.00 64.44 C ATOM 384 O THR A 29 -15.865 25.377 19.344 1.00 64.33 O ATOM 385 CB THR A 29 -13.520 23.751 21.161 1.00 20.32 C ATOM 386 OG1 THR A 29 -13.905 22.394 20.910 1.00 61.22 O ATOM 387 CG2 THR A 29 -12.630 23.811 22.393 1.00 33.33 C ATOM 0 H THR A 29 -15.792 22.810 21.577 1.00 52.43 H new ATOM 0 HA THR A 29 -14.650 25.242 22.238 1.00 14.11 H new ATOM 0 HB THR A 29 -12.959 24.133 20.308 1.00 20.32 H new ATOM 0 HG1 THR A 29 -13.321 22.010 20.223 1.00 61.22 H new ATOM 0 HG21 THR A 29 -11.752 23.184 22.238 1.00 33.33 H new ATOM 0 HG22 THR A 29 -12.315 24.840 22.565 1.00 33.33 H new ATOM 0 HG23 THR A 29 -13.184 23.452 23.260 1.00 33.33 H new ATOM 395 N THR A 30 -14.007 26.478 19.976 1.00 65.42 N ATOM 396 CA THR A 30 -14.044 27.407 18.855 1.00 62.33 C ATOM 397 C THR A 30 -13.949 26.668 17.525 1.00 43.51 C ATOM 398 O THR A 30 -14.050 25.443 17.477 1.00 21.04 O ATOM 399 CB THR A 30 -12.902 28.436 18.941 1.00 10.31 C ATOM 400 OG1 THR A 30 -11.654 27.811 18.621 1.00 2.41 O ATOM 401 CG2 THR A 30 -12.827 29.047 20.331 1.00 74.55 C ATOM 0 H THR A 30 -13.225 26.620 20.616 1.00 65.42 H new ATOM 0 HA THR A 30 -14.999 27.930 18.909 1.00 62.33 H new ATOM 0 HB THR A 30 -13.105 29.231 18.223 1.00 10.31 H new ATOM 0 HG1 THR A 30 -10.933 28.473 18.676 1.00 2.41 H new ATOM 0 HG21 THR A 30 -12.013 29.771 20.367 1.00 74.55 H new ATOM 0 HG22 THR A 30 -13.768 29.548 20.560 1.00 74.55 H new ATOM 0 HG23 THR A 30 -12.647 28.261 21.065 1.00 74.55 H new ATOM 409 N SER A 31 -13.753 27.422 16.448 1.00 22.24 N ATOM 410 CA SER A 31 -13.647 26.837 15.115 1.00 65.12 C ATOM 411 C SER A 31 -12.722 25.624 15.127 1.00 23.03 C ATOM 412 O SER A 31 -11.552 25.724 15.497 1.00 41.23 O ATOM 413 CB SER A 31 -13.131 27.878 14.119 1.00 32.24 C ATOM 414 OG SER A 31 -13.917 27.888 12.940 1.00 72.13 O ATOM 0 H SER A 31 -13.664 28.438 16.472 1.00 22.24 H new ATOM 0 HA SER A 31 -14.640 26.511 14.807 1.00 65.12 H new ATOM 0 HB2 SER A 31 -13.147 28.866 14.579 1.00 32.24 H new ATOM 0 HB3 SER A 31 -12.093 27.661 13.866 1.00 32.24 H new ATOM 0 HG SER A 31 -13.568 28.562 12.320 1.00 72.13 H new ATOM 420 N LEU A 32 -13.255 24.479 14.718 1.00 24.31 N ATOM 421 CA LEU A 32 -12.479 23.243 14.680 1.00 50.24 C ATOM 422 C LEU A 32 -11.352 23.340 13.656 1.00 64.44 C ATOM 423 O LEU A 32 -11.585 23.651 12.489 1.00 3.00 O ATOM 424 CB LEU A 32 -13.386 22.058 14.346 1.00 44.25 C ATOM 425 CG LEU A 32 -13.835 21.202 15.530 1.00 63.34 C ATOM 426 CD1 LEU A 32 -12.635 20.561 16.211 1.00 25.52 C ATOM 427 CD2 LEU A 32 -14.629 22.039 16.523 1.00 43.31 C ATOM 0 H LEU A 32 -14.222 24.379 14.408 1.00 24.31 H new ATOM 0 HA LEU A 32 -12.039 23.089 15.665 1.00 50.24 H new ATOM 0 HB2 LEU A 32 -14.274 22.437 13.840 1.00 44.25 H new ATOM 0 HB3 LEU A 32 -12.865 21.416 13.636 1.00 44.25 H new ATOM 0 HG LEU A 32 -14.481 20.408 15.155 1.00 63.34 H new ATOM 0 HD11 LEU A 32 -12.974 19.955 17.051 1.00 25.52 H new ATOM 0 HD12 LEU A 32 -12.107 19.928 15.498 1.00 25.52 H new ATOM 0 HD13 LEU A 32 -11.963 21.339 16.572 1.00 25.52 H new ATOM 0 HD21 LEU A 32 -14.940 21.413 17.359 1.00 43.31 H new ATOM 0 HD22 LEU A 32 -14.006 22.854 16.892 1.00 43.31 H new ATOM 0 HD23 LEU A 32 -15.510 22.450 16.030 1.00 43.31 H new ATOM 439 N SER A 33 -10.130 23.070 14.104 1.00 11.35 N ATOM 440 CA SER A 33 -8.966 23.128 13.227 1.00 0.42 C ATOM 441 C SER A 33 -8.787 21.813 12.473 1.00 52.14 C ATOM 442 O SER A 33 -8.178 21.776 11.404 1.00 72.21 O ATOM 443 CB SER A 33 -7.706 23.440 14.037 1.00 52.33 C ATOM 444 OG SER A 33 -6.828 24.284 13.311 1.00 31.21 O ATOM 0 H SER A 33 -9.920 22.809 15.068 1.00 11.35 H new ATOM 0 HA SER A 33 -9.129 23.924 12.500 1.00 0.42 H new ATOM 0 HB2 SER A 33 -7.983 23.920 14.976 1.00 52.33 H new ATOM 0 HB3 SER A 33 -7.195 22.512 14.292 1.00 52.33 H new ATOM 0 HG SER A 33 -6.032 24.470 13.851 1.00 31.21 H new ATOM 450 N SER A 34 -9.322 20.736 13.040 1.00 45.31 N ATOM 451 CA SER A 34 -9.219 19.419 12.424 1.00 65.34 C ATOM 452 C SER A 34 -9.895 18.360 13.291 1.00 73.04 C ATOM 453 O SER A 34 -10.270 18.625 14.433 1.00 74.22 O ATOM 454 CB SER A 34 -7.752 19.050 12.200 1.00 10.31 C ATOM 455 OG SER A 34 -7.320 18.080 13.139 1.00 10.24 O ATOM 0 H SER A 34 -9.831 20.750 13.924 1.00 45.31 H new ATOM 0 HA SER A 34 -9.728 19.455 11.461 1.00 65.34 H new ATOM 0 HB2 SER A 34 -7.621 18.665 11.189 1.00 10.31 H new ATOM 0 HB3 SER A 34 -7.132 19.943 12.284 1.00 10.31 H new ATOM 0 HG SER A 34 -6.379 17.860 12.973 1.00 10.24 H new ATOM 461 N TRP A 35 -10.044 17.161 12.741 1.00 4.34 N ATOM 462 CA TRP A 35 -10.674 16.062 13.463 1.00 30.44 C ATOM 463 C TRP A 35 -9.890 14.768 13.276 1.00 62.13 C ATOM 464 O TRP A 35 -9.455 14.447 12.170 1.00 4.13 O ATOM 465 CB TRP A 35 -12.116 15.872 12.989 1.00 2.12 C ATOM 466 CG TRP A 35 -12.217 15.381 11.576 1.00 33.42 C ATOM 467 CD1 TRP A 35 -12.446 16.135 10.460 1.00 32.41 C ATOM 468 CD2 TRP A 35 -12.094 14.027 11.129 1.00 35.24 C ATOM 469 NE1 TRP A 35 -12.473 15.331 9.347 1.00 35.20 N ATOM 470 CE2 TRP A 35 -12.258 14.033 9.730 1.00 30.33 C ATOM 471 CE3 TRP A 35 -11.858 12.809 11.773 1.00 74.23 C ATOM 472 CZ2 TRP A 35 -12.195 12.869 8.968 1.00 62.23 C ATOM 473 CZ3 TRP A 35 -11.796 11.655 11.017 1.00 4.52 C ATOM 474 CH2 TRP A 35 -11.963 11.691 9.625 1.00 45.35 C ATOM 0 H TRP A 35 -9.737 16.925 11.797 1.00 4.34 H new ATOM 0 HA TRP A 35 -10.678 16.313 14.524 1.00 30.44 H new ATOM 0 HB2 TRP A 35 -12.617 15.164 13.649 1.00 2.12 H new ATOM 0 HB3 TRP A 35 -12.647 16.820 13.076 1.00 2.12 H new ATOM 0 HD1 TRP A 35 -12.585 17.206 10.454 1.00 32.41 H new ATOM 0 HE1 TRP A 35 -12.628 15.649 8.390 1.00 35.20 H new ATOM 0 HE3 TRP A 35 -11.726 12.771 12.844 1.00 74.23 H new ATOM 0 HZ2 TRP A 35 -12.325 12.895 7.896 1.00 62.23 H new ATOM 0 HZ3 TRP A 35 -11.616 10.709 11.506 1.00 4.52 H new ATOM 0 HH2 TRP A 35 -11.907 10.772 9.061 1.00 45.35 H new ATOM 485 N THR A 36 -9.711 14.027 14.365 1.00 35.33 N ATOM 486 CA THR A 36 -8.978 12.768 14.322 1.00 3.34 C ATOM 487 C THR A 36 -9.447 11.819 15.418 1.00 0.12 C ATOM 488 O THR A 36 -9.782 12.248 16.522 1.00 42.11 O ATOM 489 CB THR A 36 -7.462 12.995 14.469 1.00 41.21 C ATOM 490 OG1 THR A 36 -7.056 14.122 13.683 1.00 65.03 O ATOM 491 CG2 THR A 36 -6.684 11.762 14.034 1.00 62.13 C ATOM 0 H THR A 36 -10.064 14.278 15.289 1.00 35.33 H new ATOM 0 HA THR A 36 -9.178 12.320 13.349 1.00 3.34 H new ATOM 0 HB THR A 36 -7.248 13.189 15.520 1.00 41.21 H new ATOM 0 HG1 THR A 36 -6.091 14.260 13.783 1.00 65.03 H new ATOM 0 HG21 THR A 36 -5.616 11.947 14.147 1.00 62.13 H new ATOM 0 HG22 THR A 36 -6.973 10.913 14.653 1.00 62.13 H new ATOM 0 HG23 THR A 36 -6.905 11.542 12.990 1.00 62.13 H new ATOM 499 N VAL A 37 -9.469 10.527 15.108 1.00 2.35 N ATOM 500 CA VAL A 37 -9.896 9.517 16.068 1.00 32.51 C ATOM 501 C VAL A 37 -8.882 8.382 16.160 1.00 54.04 C ATOM 502 O VAL A 37 -8.786 7.548 15.261 1.00 20.30 O ATOM 503 CB VAL A 37 -11.270 8.932 15.694 1.00 23.40 C ATOM 504 CG1 VAL A 37 -11.790 8.033 16.807 1.00 13.32 C ATOM 505 CG2 VAL A 37 -12.261 10.048 15.395 1.00 72.33 C ATOM 0 H VAL A 37 -9.196 10.155 14.198 1.00 2.35 H new ATOM 0 HA VAL A 37 -9.971 10.013 17.036 1.00 32.51 H new ATOM 0 HB VAL A 37 -11.154 8.327 14.794 1.00 23.40 H new ATOM 0 HG11 VAL A 37 -12.762 7.629 16.524 1.00 13.32 H new ATOM 0 HG12 VAL A 37 -11.090 7.214 16.970 1.00 13.32 H new ATOM 0 HG13 VAL A 37 -11.891 8.612 17.725 1.00 13.32 H new ATOM 0 HG21 VAL A 37 -13.227 9.616 15.132 1.00 72.33 H new ATOM 0 HG22 VAL A 37 -12.373 10.680 16.276 1.00 72.33 H new ATOM 0 HG23 VAL A 37 -11.893 10.648 14.562 1.00 72.33 H new ATOM 515 N GLU A 38 -8.126 8.359 17.254 1.00 22.01 N ATOM 516 CA GLU A 38 -7.118 7.326 17.463 1.00 5.52 C ATOM 517 C GLU A 38 -7.437 6.497 18.703 1.00 75.32 C ATOM 518 O GLU A 38 -7.770 7.040 19.756 1.00 72.20 O ATOM 519 CB GLU A 38 -5.731 7.957 17.601 1.00 12.24 C ATOM 520 CG GLU A 38 -5.503 8.640 18.938 1.00 74.10 C ATOM 521 CD GLU A 38 -4.232 9.468 18.961 1.00 62.42 C ATOM 522 OE1 GLU A 38 -4.123 10.407 18.146 1.00 61.04 O ATOM 523 OE2 GLU A 38 -3.349 9.177 19.794 1.00 64.23 O ATOM 0 H GLU A 38 -8.193 9.043 18.008 1.00 22.01 H new ATOM 0 HA GLU A 38 -7.125 6.667 16.595 1.00 5.52 H new ATOM 0 HB2 GLU A 38 -4.974 7.184 17.464 1.00 12.24 H new ATOM 0 HB3 GLU A 38 -5.591 8.685 16.802 1.00 12.24 H new ATOM 0 HG2 GLU A 38 -6.355 9.282 19.164 1.00 74.10 H new ATOM 0 HG3 GLU A 38 -5.455 7.886 19.724 1.00 74.10 H new ATOM 530 N TRP A 39 -7.333 5.180 18.570 1.00 25.22 N ATOM 531 CA TRP A 39 -7.612 4.275 19.680 1.00 11.32 C ATOM 532 C TRP A 39 -6.513 3.225 19.814 1.00 62.15 C ATOM 533 O TRP A 39 -5.618 3.140 18.975 1.00 51.33 O ATOM 534 CB TRP A 39 -8.965 3.592 19.480 1.00 64.21 C ATOM 535 CG TRP A 39 -9.663 4.012 18.223 1.00 2.24 C ATOM 536 CD1 TRP A 39 -10.759 4.822 18.125 1.00 40.55 C ATOM 537 CD2 TRP A 39 -9.315 3.642 16.884 1.00 53.04 C ATOM 538 NE1 TRP A 39 -11.112 4.978 16.806 1.00 52.45 N ATOM 539 CE2 TRP A 39 -10.242 4.265 16.025 1.00 40.01 C ATOM 540 CE3 TRP A 39 -8.309 2.847 16.328 1.00 3.23 C ATOM 541 CZ2 TRP A 39 -10.191 4.115 14.642 1.00 51.32 C ATOM 542 CZ3 TRP A 39 -8.261 2.699 14.954 1.00 72.03 C ATOM 543 CH2 TRP A 39 -9.196 3.331 14.124 1.00 60.01 C ATOM 0 H TRP A 39 -7.058 4.715 17.705 1.00 25.22 H new ATOM 0 HA TRP A 39 -7.642 4.863 20.598 1.00 11.32 H new ATOM 0 HB2 TRP A 39 -8.819 2.512 19.462 1.00 64.21 H new ATOM 0 HB3 TRP A 39 -9.605 3.814 20.334 1.00 64.21 H new ATOM 0 HD1 TRP A 39 -11.272 5.273 18.961 1.00 40.55 H new ATOM 0 HE1 TRP A 39 -11.895 5.535 16.464 1.00 52.45 H new ATOM 0 HE3 TRP A 39 -7.583 2.357 16.960 1.00 3.23 H new ATOM 0 HZ2 TRP A 39 -10.911 4.600 14.000 1.00 51.32 H new ATOM 0 HZ3 TRP A 39 -7.489 2.086 14.513 1.00 72.03 H new ATOM 0 HH2 TRP A 39 -9.130 3.197 13.054 1.00 60.01 H new ATOM 554 N ASP A 40 -6.589 2.430 20.876 1.00 41.25 N ATOM 555 CA ASP A 40 -5.602 1.385 21.119 1.00 75.14 C ATOM 556 C ASP A 40 -6.114 0.031 20.640 1.00 14.22 C ATOM 557 O ASP A 40 -7.232 -0.372 20.962 1.00 1.01 O ATOM 558 CB ASP A 40 -5.259 1.316 22.608 1.00 35.01 C ATOM 559 CG ASP A 40 -3.764 1.379 22.861 1.00 63.32 C ATOM 560 OD1 ASP A 40 -3.096 0.334 22.724 1.00 72.14 O ATOM 561 OD2 ASP A 40 -3.266 2.474 23.198 1.00 15.44 O ATOM 0 H ASP A 40 -7.323 2.489 21.581 1.00 41.25 H new ATOM 0 HA ASP A 40 -4.702 1.632 20.556 1.00 75.14 H new ATOM 0 HB2 ASP A 40 -5.748 2.139 23.129 1.00 35.01 H new ATOM 0 HB3 ASP A 40 -5.657 0.392 23.027 1.00 35.01 H new ATOM 566 N PHE A 41 -5.289 -0.668 19.867 1.00 4.43 N ATOM 567 CA PHE A 41 -5.659 -1.976 19.340 1.00 72.01 C ATOM 568 C PHE A 41 -4.785 -3.072 19.943 1.00 23.42 C ATOM 569 O PHE A 41 -3.895 -3.620 19.292 1.00 24.22 O ATOM 570 CB PHE A 41 -5.534 -1.989 17.815 1.00 24.54 C ATOM 571 CG PHE A 41 -6.814 -1.648 17.105 1.00 72.23 C ATOM 572 CD1 PHE A 41 -7.713 -0.753 17.663 1.00 14.10 C ATOM 573 CD2 PHE A 41 -7.117 -2.221 15.882 1.00 1.33 C ATOM 574 CE1 PHE A 41 -8.890 -0.438 17.013 1.00 23.53 C ATOM 575 CE2 PHE A 41 -8.293 -1.909 15.226 1.00 10.11 C ATOM 576 CZ PHE A 41 -9.181 -1.016 15.793 1.00 43.32 C ATOM 0 H PHE A 41 -4.360 -0.350 19.592 1.00 4.43 H new ATOM 0 HA PHE A 41 -6.696 -2.171 19.614 1.00 72.01 H new ATOM 0 HB2 PHE A 41 -4.762 -1.280 17.516 1.00 24.54 H new ATOM 0 HB3 PHE A 41 -5.202 -2.976 17.494 1.00 24.54 H new ATOM 0 HD1 PHE A 41 -7.491 -0.297 18.616 1.00 14.10 H new ATOM 0 HD2 PHE A 41 -6.426 -2.920 15.435 1.00 1.33 H new ATOM 0 HE1 PHE A 41 -9.583 0.260 17.459 1.00 23.53 H new ATOM 0 HE2 PHE A 41 -8.517 -2.363 14.272 1.00 10.11 H new ATOM 0 HZ PHE A 41 -10.101 -0.770 15.283 1.00 43.32 H new ATOM 586 N PRO A 42 -5.043 -3.400 21.217 1.00 71.54 N ATOM 587 CA PRO A 42 -4.291 -4.432 21.937 1.00 31.24 C ATOM 588 C PRO A 42 -4.586 -5.834 21.414 1.00 63.22 C ATOM 589 O PRO A 42 -3.671 -6.604 21.120 1.00 3.44 O ATOM 590 CB PRO A 42 -4.780 -4.286 23.380 1.00 22.23 C ATOM 591 CG PRO A 42 -6.137 -3.684 23.261 1.00 63.40 C ATOM 592 CD PRO A 42 -6.089 -2.787 22.054 1.00 32.34 C ATOM 0 HA PRO A 42 -3.214 -4.306 21.823 1.00 31.24 H new ATOM 0 HB2 PRO A 42 -4.818 -5.251 23.885 1.00 22.23 H new ATOM 0 HB3 PRO A 42 -4.114 -3.649 23.961 1.00 22.23 H new ATOM 0 HG2 PRO A 42 -6.897 -4.456 23.143 1.00 63.40 H new ATOM 0 HG3 PRO A 42 -6.393 -3.119 24.157 1.00 63.40 H new ATOM 0 HD2 PRO A 42 -7.049 -2.755 21.539 1.00 32.34 H new ATOM 0 HD3 PRO A 42 -5.838 -1.761 22.325 1.00 32.34 H new ATOM 600 N THR A 43 -5.870 -6.161 21.301 1.00 53.21 N ATOM 601 CA THR A 43 -6.285 -7.471 20.815 1.00 51.41 C ATOM 602 C THR A 43 -6.053 -7.599 19.314 1.00 41.54 C ATOM 603 O THR A 43 -6.186 -6.628 18.570 1.00 63.13 O ATOM 604 CB THR A 43 -7.772 -7.737 21.117 1.00 54.01 C ATOM 605 OG1 THR A 43 -8.595 -6.884 20.315 1.00 64.13 O ATOM 606 CG2 THR A 43 -8.075 -7.504 22.590 1.00 55.41 C ATOM 0 H THR A 43 -6.640 -5.536 21.540 1.00 53.21 H new ATOM 0 HA THR A 43 -5.678 -8.209 21.338 1.00 51.41 H new ATOM 0 HB THR A 43 -7.988 -8.778 20.878 1.00 54.01 H new ATOM 0 HG1 THR A 43 -9.539 -7.061 20.512 1.00 64.13 H new ATOM 0 HG21 THR A 43 -9.131 -7.698 22.779 1.00 55.41 H new ATOM 0 HG22 THR A 43 -7.468 -8.176 23.197 1.00 55.41 H new ATOM 0 HG23 THR A 43 -7.843 -6.471 22.850 1.00 55.41 H new ATOM 614 N GLY A 44 -5.705 -8.804 18.873 1.00 71.55 N ATOM 615 CA GLY A 44 -5.460 -9.037 17.463 1.00 54.11 C ATOM 616 C GLY A 44 -6.427 -8.279 16.574 1.00 33.32 C ATOM 617 O GLY A 44 -7.558 -8.718 16.358 1.00 53.22 O ATOM 0 H GLY A 44 -5.588 -9.624 19.469 1.00 71.55 H new ATOM 0 HA2 GLY A 44 -4.440 -8.740 17.221 1.00 54.11 H new ATOM 0 HA3 GLY A 44 -5.540 -10.104 17.255 1.00 54.11 H new ATOM 621 N THR A 45 -5.984 -7.137 16.058 1.00 22.34 N ATOM 622 CA THR A 45 -6.819 -6.316 15.190 1.00 32.40 C ATOM 623 C THR A 45 -5.968 -5.452 14.267 1.00 41.23 C ATOM 624 O THR A 45 -4.822 -5.131 14.581 1.00 64.13 O ATOM 625 CB THR A 45 -7.754 -5.407 16.009 1.00 43.04 C ATOM 626 OG1 THR A 45 -7.031 -4.802 17.087 1.00 13.13 O ATOM 627 CG2 THR A 45 -8.931 -6.197 16.561 1.00 2.11 C ATOM 0 H THR A 45 -5.051 -6.760 16.226 1.00 22.34 H new ATOM 0 HA THR A 45 -7.421 -6.999 14.590 1.00 32.40 H new ATOM 0 HB THR A 45 -8.137 -4.629 15.348 1.00 43.04 H new ATOM 0 HG1 THR A 45 -7.107 -3.827 17.025 1.00 13.13 H new ATOM 0 HG21 THR A 45 -9.577 -5.533 17.136 1.00 2.11 H new ATOM 0 HG22 THR A 45 -9.497 -6.630 15.736 1.00 2.11 H new ATOM 0 HG23 THR A 45 -8.563 -6.994 17.207 1.00 2.11 H new ATOM 635 N LYS A 46 -6.537 -5.077 13.125 1.00 70.34 N ATOM 636 CA LYS A 46 -5.832 -4.249 12.155 1.00 51.35 C ATOM 637 C LYS A 46 -6.759 -3.834 11.017 1.00 70.34 C ATOM 638 O LYS A 46 -7.453 -4.668 10.435 1.00 44.51 O ATOM 639 CB LYS A 46 -4.623 -4.999 11.595 1.00 14.55 C ATOM 640 CG LYS A 46 -4.929 -6.433 11.194 1.00 12.42 C ATOM 641 CD LYS A 46 -4.194 -7.427 12.077 1.00 0.04 C ATOM 642 CE LYS A 46 -2.699 -7.421 11.799 1.00 2.34 C ATOM 643 NZ LYS A 46 -1.908 -7.124 13.025 1.00 3.34 N ATOM 0 H LYS A 46 -7.485 -5.334 12.850 1.00 70.34 H new ATOM 0 HA LYS A 46 -5.488 -3.350 12.666 1.00 51.35 H new ATOM 0 HB2 LYS A 46 -4.242 -4.461 10.727 1.00 14.55 H new ATOM 0 HB3 LYS A 46 -3.829 -5.001 12.342 1.00 14.55 H new ATOM 0 HG2 LYS A 46 -6.003 -6.609 11.261 1.00 12.42 H new ATOM 0 HG3 LYS A 46 -4.645 -6.589 10.153 1.00 12.42 H new ATOM 0 HD2 LYS A 46 -4.371 -7.185 13.125 1.00 0.04 H new ATOM 0 HD3 LYS A 46 -4.592 -8.428 11.910 1.00 0.04 H new ATOM 0 HE2 LYS A 46 -2.400 -8.390 11.400 1.00 2.34 H new ATOM 0 HE3 LYS A 46 -2.475 -6.678 11.033 1.00 2.34 H new ATOM 0 HZ1 LYS A 46 -0.894 -7.129 12.794 1.00 3.34 H new ATOM 0 HZ2 LYS A 46 -2.175 -6.188 13.392 1.00 3.34 H new ATOM 0 HZ3 LYS A 46 -2.102 -7.847 13.747 1.00 3.34 H new ATOM 657 N VAL A 47 -6.766 -2.542 10.705 1.00 74.10 N ATOM 658 CA VAL A 47 -7.606 -2.018 9.634 1.00 22.40 C ATOM 659 C VAL A 47 -6.998 -2.309 8.267 1.00 65.05 C ATOM 660 O VAL A 47 -5.992 -1.712 7.883 1.00 13.35 O ATOM 661 CB VAL A 47 -7.817 -0.499 9.779 1.00 14.33 C ATOM 662 CG1 VAL A 47 -8.618 0.042 8.604 1.00 73.55 C ATOM 663 CG2 VAL A 47 -8.504 -0.181 11.098 1.00 43.10 C ATOM 0 H VAL A 47 -6.199 -1.839 11.179 1.00 74.10 H new ATOM 0 HA VAL A 47 -8.570 -2.520 9.713 1.00 22.40 H new ATOM 0 HB VAL A 47 -6.842 -0.011 9.778 1.00 14.33 H new ATOM 0 HG11 VAL A 47 -8.758 1.116 8.723 1.00 73.55 H new ATOM 0 HG12 VAL A 47 -8.080 -0.154 7.676 1.00 73.55 H new ATOM 0 HG13 VAL A 47 -9.591 -0.449 8.570 1.00 73.55 H new ATOM 0 HG21 VAL A 47 -8.645 0.896 11.184 1.00 43.10 H new ATOM 0 HG22 VAL A 47 -9.473 -0.678 11.132 1.00 43.10 H new ATOM 0 HG23 VAL A 47 -7.886 -0.533 11.924 1.00 43.10 H new ATOM 673 N THR A 48 -7.617 -3.229 7.534 1.00 34.42 N ATOM 674 CA THR A 48 -7.137 -3.600 6.209 1.00 3.33 C ATOM 675 C THR A 48 -7.330 -2.460 5.215 1.00 25.32 C ATOM 676 O THR A 48 -6.426 -2.133 4.447 1.00 51.13 O ATOM 677 CB THR A 48 -7.859 -4.853 5.680 1.00 22.41 C ATOM 678 OG1 THR A 48 -8.259 -5.687 6.774 1.00 51.43 O ATOM 679 CG2 THR A 48 -6.959 -5.641 4.740 1.00 0.41 C ATOM 0 H THR A 48 -8.452 -3.731 7.836 1.00 34.42 H new ATOM 0 HA THR A 48 -6.073 -3.817 6.308 1.00 3.33 H new ATOM 0 HB THR A 48 -8.741 -4.530 5.127 1.00 22.41 H new ATOM 0 HG1 THR A 48 -8.719 -6.481 6.429 1.00 51.43 H new ATOM 0 HG21 THR A 48 -7.491 -6.521 4.380 1.00 0.41 H new ATOM 0 HG22 THR A 48 -6.679 -5.014 3.893 1.00 0.41 H new ATOM 0 HG23 THR A 48 -6.061 -5.953 5.273 1.00 0.41 H new ATOM 687 N SER A 49 -8.516 -1.857 5.236 1.00 12.25 N ATOM 688 CA SER A 49 -8.828 -0.755 4.334 1.00 31.33 C ATOM 689 C SER A 49 -9.664 0.307 5.043 1.00 34.01 C ATOM 690 O SER A 49 -10.335 0.023 6.035 1.00 22.11 O ATOM 691 CB SER A 49 -9.577 -1.271 3.103 1.00 70.30 C ATOM 692 OG SER A 49 -8.674 -1.743 2.118 1.00 41.31 O ATOM 0 H SER A 49 -9.275 -2.113 5.867 1.00 12.25 H new ATOM 0 HA SER A 49 -7.889 -0.302 4.016 1.00 31.33 H new ATOM 0 HB2 SER A 49 -10.254 -2.074 3.395 1.00 70.30 H new ATOM 0 HB3 SER A 49 -10.191 -0.473 2.686 1.00 70.30 H new ATOM 0 HG SER A 49 -7.823 -1.981 2.542 1.00 41.31 H new ATOM 698 N ALA A 50 -9.618 1.530 4.527 1.00 15.54 N ATOM 699 CA ALA A 50 -10.370 2.634 5.107 1.00 62.55 C ATOM 700 C ALA A 50 -10.699 3.688 4.056 1.00 13.31 C ATOM 701 O ALA A 50 -10.028 3.784 3.029 1.00 75.10 O ATOM 702 CB ALA A 50 -9.592 3.257 6.257 1.00 32.51 C ATOM 0 H ALA A 50 -9.066 1.781 3.707 1.00 15.54 H new ATOM 0 HA ALA A 50 -11.310 2.237 5.491 1.00 62.55 H new ATOM 0 HB1 ALA A 50 -10.166 4.081 6.681 1.00 32.51 H new ATOM 0 HB2 ALA A 50 -9.415 2.505 7.026 1.00 32.51 H new ATOM 0 HB3 ALA A 50 -8.637 3.632 5.889 1.00 32.51 H new ATOM 708 N TRP A 51 -11.735 4.477 4.319 1.00 21.31 N ATOM 709 CA TRP A 51 -12.152 5.524 3.394 1.00 30.33 C ATOM 710 C TRP A 51 -12.580 6.777 4.148 1.00 41.34 C ATOM 711 O TRP A 51 -13.127 6.695 5.248 1.00 5.43 O ATOM 712 CB TRP A 51 -13.300 5.027 2.513 1.00 41.25 C ATOM 713 CG TRP A 51 -14.391 4.351 3.286 1.00 24.55 C ATOM 714 CD1 TRP A 51 -15.327 4.950 4.079 1.00 22.33 C ATOM 715 CD2 TRP A 51 -14.658 2.945 3.340 1.00 12.32 C ATOM 716 NE1 TRP A 51 -16.160 4.001 4.622 1.00 74.33 N ATOM 717 CE2 TRP A 51 -15.771 2.764 4.185 1.00 11.15 C ATOM 718 CE3 TRP A 51 -14.066 1.821 2.756 1.00 43.11 C ATOM 719 CZ2 TRP A 51 -16.300 1.505 4.458 1.00 41.45 C ATOM 720 CZ3 TRP A 51 -14.593 0.574 3.028 1.00 35.42 C ATOM 721 CH2 TRP A 51 -15.701 0.423 3.873 1.00 5.03 C ATOM 0 H TRP A 51 -12.301 4.411 5.165 1.00 21.31 H new ATOM 0 HA TRP A 51 -11.301 5.776 2.762 1.00 30.33 H new ATOM 0 HB2 TRP A 51 -13.721 5.871 1.966 1.00 41.25 H new ATOM 0 HB3 TRP A 51 -12.905 4.332 1.772 1.00 41.25 H new ATOM 0 HD1 TRP A 51 -15.402 6.013 4.254 1.00 22.33 H new ATOM 0 HE1 TRP A 51 -16.942 4.189 5.249 1.00 74.33 H new ATOM 0 HE3 TRP A 51 -13.212 1.926 2.104 1.00 43.11 H new ATOM 0 HZ2 TRP A 51 -17.154 1.387 5.109 1.00 41.45 H new ATOM 0 HZ3 TRP A 51 -14.143 -0.301 2.582 1.00 35.42 H new ATOM 0 HH2 TRP A 51 -16.089 -0.566 4.066 1.00 5.03 H new ATOM 732 N ASP A 52 -12.327 7.937 3.551 1.00 70.01 N ATOM 733 CA ASP A 52 -12.688 9.209 4.166 1.00 71.42 C ATOM 734 C ASP A 52 -11.909 9.427 5.460 1.00 13.05 C ATOM 735 O ASP A 52 -12.252 10.291 6.265 1.00 63.10 O ATOM 736 CB ASP A 52 -14.191 9.256 4.448 1.00 54.33 C ATOM 737 CG ASP A 52 -14.841 10.516 3.910 1.00 11.13 C ATOM 738 OD1 ASP A 52 -15.195 10.536 2.713 1.00 5.43 O ATOM 739 OD2 ASP A 52 -14.997 11.481 4.686 1.00 34.50 O ATOM 0 H ASP A 52 -11.873 8.022 2.642 1.00 70.01 H new ATOM 0 HA ASP A 52 -12.432 10.007 3.469 1.00 71.42 H new ATOM 0 HB2 ASP A 52 -14.669 8.384 4.001 1.00 54.33 H new ATOM 0 HB3 ASP A 52 -14.358 9.195 5.523 1.00 54.33 H new ATOM 744 N ALA A 53 -10.858 8.636 5.653 1.00 4.25 N ATOM 745 CA ALA A 53 -10.030 8.742 6.847 1.00 51.10 C ATOM 746 C ALA A 53 -8.794 7.855 6.740 1.00 42.41 C ATOM 747 O ALA A 53 -8.883 6.633 6.858 1.00 12.24 O ATOM 748 CB ALA A 53 -10.838 8.378 8.083 1.00 62.22 C ATOM 0 H ALA A 53 -10.560 7.914 4.997 1.00 4.25 H new ATOM 0 HA ALA A 53 -9.696 9.776 6.936 1.00 51.10 H new ATOM 0 HB1 ALA A 53 -10.207 8.461 8.968 1.00 62.22 H new ATOM 0 HB2 ALA A 53 -11.686 9.057 8.176 1.00 62.22 H new ATOM 0 HB3 ALA A 53 -11.201 7.354 7.992 1.00 62.22 H new ATOM 754 N THR A 54 -7.642 8.478 6.513 1.00 4.41 N ATOM 755 CA THR A 54 -6.389 7.744 6.387 1.00 41.22 C ATOM 756 C THR A 54 -6.013 7.069 7.701 1.00 41.32 C ATOM 757 O THR A 54 -5.323 7.654 8.537 1.00 0.22 O ATOM 758 CB THR A 54 -5.237 8.671 5.952 1.00 22.05 C ATOM 759 OG1 THR A 54 -5.525 9.242 4.671 1.00 30.34 O ATOM 760 CG2 THR A 54 -3.923 7.907 5.889 1.00 20.13 C ATOM 0 H THR A 54 -7.551 9.489 6.413 1.00 4.41 H new ATOM 0 HA THR A 54 -6.543 6.983 5.622 1.00 41.22 H new ATOM 0 HB THR A 54 -5.141 9.467 6.690 1.00 22.05 H new ATOM 0 HG1 THR A 54 -4.789 9.831 4.402 1.00 30.34 H new ATOM 0 HG21 THR A 54 -3.124 8.581 5.580 1.00 20.13 H new ATOM 0 HG22 THR A 54 -3.692 7.498 6.873 1.00 20.13 H new ATOM 0 HG23 THR A 54 -4.009 7.093 5.169 1.00 20.13 H new ATOM 768 N VAL A 55 -6.470 5.833 7.877 1.00 24.30 N ATOM 769 CA VAL A 55 -6.180 5.077 9.089 1.00 70.53 C ATOM 770 C VAL A 55 -4.791 4.451 9.027 1.00 74.23 C ATOM 771 O VAL A 55 -4.507 3.627 8.157 1.00 71.32 O ATOM 772 CB VAL A 55 -7.222 3.965 9.321 1.00 41.42 C ATOM 773 CG1 VAL A 55 -6.905 3.193 10.592 1.00 23.32 C ATOM 774 CG2 VAL A 55 -8.623 4.555 9.379 1.00 34.14 C ATOM 0 H VAL A 55 -7.042 5.334 7.196 1.00 24.30 H new ATOM 0 HA VAL A 55 -6.221 5.782 9.919 1.00 70.53 H new ATOM 0 HB VAL A 55 -7.180 3.269 8.483 1.00 41.42 H new ATOM 0 HG11 VAL A 55 -7.651 2.412 10.739 1.00 23.32 H new ATOM 0 HG12 VAL A 55 -5.918 2.739 10.506 1.00 23.32 H new ATOM 0 HG13 VAL A 55 -6.919 3.873 11.444 1.00 23.32 H new ATOM 0 HG21 VAL A 55 -9.347 3.757 9.543 1.00 34.14 H new ATOM 0 HG22 VAL A 55 -8.682 5.273 10.197 1.00 34.14 H new ATOM 0 HG23 VAL A 55 -8.845 5.058 8.438 1.00 34.14 H new ATOM 784 N THR A 56 -3.928 4.846 9.958 1.00 52.43 N ATOM 785 CA THR A 56 -2.567 4.326 10.009 1.00 22.10 C ATOM 786 C THR A 56 -2.366 3.434 11.229 1.00 61.15 C ATOM 787 O THR A 56 -3.257 3.303 12.067 1.00 1.01 O ATOM 788 CB THR A 56 -1.530 5.463 10.042 1.00 43.45 C ATOM 789 OG1 THR A 56 -0.213 4.932 9.862 1.00 44.21 O ATOM 790 CG2 THR A 56 -1.601 6.221 11.360 1.00 42.43 C ATOM 0 H THR A 56 -4.148 5.525 10.687 1.00 52.43 H new ATOM 0 HA THR A 56 -2.420 3.738 9.103 1.00 22.10 H new ATOM 0 HB THR A 56 -1.756 6.154 9.230 1.00 43.45 H new ATOM 0 HG1 THR A 56 0.440 5.663 9.883 1.00 44.21 H new ATOM 0 HG21 THR A 56 -0.859 7.020 11.361 1.00 42.43 H new ATOM 0 HG22 THR A 56 -2.596 6.650 11.480 1.00 42.43 H new ATOM 0 HG23 THR A 56 -1.399 5.537 12.184 1.00 42.43 H new ATOM 798 N ASN A 57 -1.188 2.824 11.322 1.00 64.51 N ATOM 799 CA ASN A 57 -0.871 1.944 12.441 1.00 74.44 C ATOM 800 C ASN A 57 0.520 2.246 12.993 1.00 44.13 C ATOM 801 O ASN A 57 1.349 2.850 12.314 1.00 55.23 O ATOM 802 CB ASN A 57 -0.951 0.480 12.005 1.00 13.25 C ATOM 803 CG ASN A 57 0.328 0.002 11.345 1.00 10.02 C ATOM 804 OD1 ASN A 57 1.252 -0.456 12.016 1.00 72.30 O ATOM 805 ND2 ASN A 57 0.387 0.109 10.022 1.00 32.33 N ATOM 0 H ASN A 57 -0.439 2.923 10.637 1.00 64.51 H new ATOM 0 HA ASN A 57 -1.603 2.122 13.229 1.00 74.44 H new ATOM 0 HB2 ASN A 57 -1.163 -0.144 12.873 1.00 13.25 H new ATOM 0 HB3 ASN A 57 -1.783 0.355 11.312 1.00 13.25 H new ATOM 0 HD21 ASN A 57 1.223 -0.195 9.523 1.00 32.33 H new ATOM 0 HD22 ASN A 57 -0.404 0.495 9.506 1.00 32.33 H new ATOM 812 N SER A 58 0.765 1.822 14.228 1.00 54.30 N ATOM 813 CA SER A 58 2.053 2.050 14.873 1.00 12.11 C ATOM 814 C SER A 58 2.236 1.117 16.066 1.00 13.42 C ATOM 815 O SER A 58 1.938 1.479 17.203 1.00 52.31 O ATOM 816 CB SER A 58 2.169 3.507 15.326 1.00 34.51 C ATOM 817 OG SER A 58 2.988 4.252 14.443 1.00 15.12 O ATOM 0 H SER A 58 0.089 1.319 14.802 1.00 54.30 H new ATOM 0 HA SER A 58 2.838 1.840 14.147 1.00 12.11 H new ATOM 0 HB2 SER A 58 1.177 3.956 15.373 1.00 34.51 H new ATOM 0 HB3 SER A 58 2.585 3.546 16.333 1.00 34.51 H new ATOM 0 HG SER A 58 2.750 4.038 13.517 1.00 15.12 H new ATOM 823 N GLY A 59 2.730 -0.089 15.796 1.00 65.14 N ATOM 824 CA GLY A 59 2.945 -1.056 16.856 1.00 64.15 C ATOM 825 C GLY A 59 1.646 -1.627 17.391 1.00 51.04 C ATOM 826 O GLY A 59 1.131 -2.613 16.864 1.00 23.21 O ATOM 0 H GLY A 59 2.985 -0.412 14.863 1.00 65.14 H new ATOM 0 HA2 GLY A 59 3.569 -1.868 16.482 1.00 64.15 H new ATOM 0 HA3 GLY A 59 3.493 -0.582 17.670 1.00 64.15 H new ATOM 830 N ASP A 60 1.118 -1.009 18.442 1.00 23.15 N ATOM 831 CA ASP A 60 -0.127 -1.462 19.049 1.00 24.44 C ATOM 832 C ASP A 60 -1.138 -0.323 19.135 1.00 41.22 C ATOM 833 O ASP A 60 -2.112 -0.396 19.884 1.00 32.41 O ATOM 834 CB ASP A 60 0.137 -2.032 20.444 1.00 40.31 C ATOM 835 CG ASP A 60 0.638 -3.462 20.401 1.00 44.11 C ATOM 836 OD1 ASP A 60 0.254 -4.196 19.467 1.00 2.31 O ATOM 837 OD2 ASP A 60 1.413 -3.847 21.301 1.00 3.23 O ATOM 0 H ASP A 60 1.533 -0.193 18.891 1.00 23.15 H new ATOM 0 HA ASP A 60 -0.544 -2.246 18.417 1.00 24.44 H new ATOM 0 HB2 ASP A 60 0.871 -1.409 20.955 1.00 40.31 H new ATOM 0 HB3 ASP A 60 -0.781 -1.989 21.030 1.00 40.31 H new ATOM 842 N HIS A 61 -0.898 0.733 18.362 1.00 73.20 N ATOM 843 CA HIS A 61 -1.786 1.890 18.352 1.00 4.45 C ATOM 844 C HIS A 61 -2.191 2.250 16.926 1.00 2.43 C ATOM 845 O HIS A 61 -1.413 2.077 15.987 1.00 52.30 O ATOM 846 CB HIS A 61 -1.108 3.086 19.019 1.00 43.32 C ATOM 847 CG HIS A 61 -1.915 4.346 18.952 1.00 51.53 C ATOM 848 ND1 HIS A 61 -2.777 4.742 19.953 1.00 60.12 N ATOM 849 CD2 HIS A 61 -1.986 5.302 17.997 1.00 42.21 C ATOM 850 CE1 HIS A 61 -3.344 5.886 19.615 1.00 23.25 C ATOM 851 NE2 HIS A 61 -2.882 6.248 18.432 1.00 54.12 N ATOM 0 H HIS A 61 -0.097 0.811 17.735 1.00 73.20 H new ATOM 0 HA HIS A 61 -2.684 1.633 18.913 1.00 4.45 H new ATOM 0 HB2 HIS A 61 -0.911 2.845 20.064 1.00 43.32 H new ATOM 0 HB3 HIS A 61 -0.142 3.257 18.544 1.00 43.32 H new ATOM 0 HD2 HIS A 61 -1.440 5.318 17.066 1.00 42.21 H new ATOM 0 HE1 HIS A 61 -4.064 6.433 20.206 1.00 23.25 H new ATOM 0 HE2 HIS A 61 -3.147 7.092 17.924 1.00 54.12 H new ATOM 859 N TRP A 62 -3.412 2.750 16.770 1.00 21.41 N ATOM 860 CA TRP A 62 -3.920 3.133 15.458 1.00 61.34 C ATOM 861 C TRP A 62 -4.554 4.519 15.503 1.00 74.13 C ATOM 862 O TRP A 62 -5.085 4.937 16.533 1.00 53.32 O ATOM 863 CB TRP A 62 -4.942 2.108 14.964 1.00 74.25 C ATOM 864 CG TRP A 62 -4.322 0.814 14.528 1.00 51.10 C ATOM 865 CD1 TRP A 62 -3.715 -0.113 15.325 1.00 31.22 C ATOM 866 CD2 TRP A 62 -4.249 0.308 13.191 1.00 3.22 C ATOM 867 NE1 TRP A 62 -3.268 -1.166 14.564 1.00 2.14 N ATOM 868 CE2 TRP A 62 -3.584 -0.933 13.251 1.00 61.35 C ATOM 869 CE3 TRP A 62 -4.682 0.780 11.949 1.00 73.34 C ATOM 870 CZ2 TRP A 62 -3.342 -1.703 12.117 1.00 71.11 C ATOM 871 CZ3 TRP A 62 -4.440 0.013 10.824 1.00 42.04 C ATOM 872 CH2 TRP A 62 -3.776 -1.217 10.915 1.00 30.11 C ATOM 0 H TRP A 62 -4.068 2.900 17.536 1.00 21.41 H new ATOM 0 HA TRP A 62 -3.079 3.160 14.765 1.00 61.34 H new ATOM 0 HB2 TRP A 62 -5.660 1.909 15.760 1.00 74.25 H new ATOM 0 HB3 TRP A 62 -5.500 2.534 14.130 1.00 74.25 H new ATOM 0 HD1 TRP A 62 -3.603 -0.031 16.396 1.00 31.22 H new ATOM 0 HE1 TRP A 62 -2.780 -1.988 14.919 1.00 2.14 H new ATOM 0 HE3 TRP A 62 -5.196 1.726 11.869 1.00 73.34 H new ATOM 0 HZ2 TRP A 62 -2.829 -2.651 12.184 1.00 71.11 H new ATOM 0 HZ3 TRP A 62 -4.769 0.369 9.859 1.00 42.04 H new ATOM 0 HH2 TRP A 62 -3.603 -1.793 10.018 1.00 30.11 H new ATOM 883 N THR A 63 -4.494 5.230 14.381 1.00 21.13 N ATOM 884 CA THR A 63 -5.061 6.569 14.294 1.00 25.34 C ATOM 885 C THR A 63 -5.701 6.807 12.931 1.00 42.43 C ATOM 886 O THR A 63 -5.219 6.311 11.913 1.00 41.52 O ATOM 887 CB THR A 63 -3.992 7.649 14.542 1.00 71.24 C ATOM 888 OG1 THR A 63 -3.403 7.467 15.835 1.00 11.23 O ATOM 889 CG2 THR A 63 -4.597 9.042 14.446 1.00 60.54 C ATOM 0 H THR A 63 -4.058 4.900 13.520 1.00 21.13 H new ATOM 0 HA THR A 63 -5.825 6.640 15.069 1.00 25.34 H new ATOM 0 HB THR A 63 -3.223 7.551 13.776 1.00 71.24 H new ATOM 0 HG1 THR A 63 -2.723 8.157 15.985 1.00 11.23 H new ATOM 0 HG21 THR A 63 -3.823 9.788 14.625 1.00 60.54 H new ATOM 0 HG22 THR A 63 -5.019 9.188 13.451 1.00 60.54 H new ATOM 0 HG23 THR A 63 -5.384 9.149 15.193 1.00 60.54 H new ATOM 897 N ALA A 64 -6.790 7.570 12.918 1.00 74.33 N ATOM 898 CA ALA A 64 -7.494 7.876 11.679 1.00 72.13 C ATOM 899 C ALA A 64 -7.569 9.382 11.448 1.00 11.33 C ATOM 900 O ALA A 64 -8.210 10.106 12.209 1.00 45.11 O ATOM 901 CB ALA A 64 -8.891 7.274 11.703 1.00 50.22 C ATOM 0 H ALA A 64 -7.203 7.987 13.752 1.00 74.33 H new ATOM 0 HA ALA A 64 -6.935 7.435 10.854 1.00 72.13 H new ATOM 0 HB1 ALA A 64 -9.405 7.511 10.771 1.00 50.22 H new ATOM 0 HB2 ALA A 64 -8.819 6.192 11.813 1.00 50.22 H new ATOM 0 HB3 ALA A 64 -9.451 7.688 12.542 1.00 50.22 H new ATOM 907 N LYS A 65 -6.908 9.847 10.393 1.00 54.20 N ATOM 908 CA LYS A 65 -6.899 11.267 10.061 1.00 4.22 C ATOM 909 C LYS A 65 -7.223 11.482 8.586 1.00 20.14 C ATOM 910 O LYS A 65 -6.711 10.774 7.719 1.00 70.03 O ATOM 911 CB LYS A 65 -5.537 11.881 10.389 1.00 33.51 C ATOM 912 CG LYS A 65 -4.371 11.160 9.735 1.00 20.30 C ATOM 913 CD LYS A 65 -3.882 10.002 10.589 1.00 52.44 C ATOM 914 CE LYS A 65 -2.602 10.359 11.331 1.00 63.10 C ATOM 915 NZ LYS A 65 -2.805 11.499 12.268 1.00 22.14 N ATOM 0 H LYS A 65 -6.372 9.261 9.753 1.00 54.20 H new ATOM 0 HA LYS A 65 -7.665 11.759 10.660 1.00 4.22 H new ATOM 0 HB2 LYS A 65 -5.532 12.924 10.072 1.00 33.51 H new ATOM 0 HB3 LYS A 65 -5.396 11.876 11.470 1.00 33.51 H new ATOM 0 HG2 LYS A 65 -4.674 10.789 8.756 1.00 20.30 H new ATOM 0 HG3 LYS A 65 -3.554 11.862 9.570 1.00 20.30 H new ATOM 0 HD2 LYS A 65 -4.655 9.726 11.306 1.00 52.44 H new ATOM 0 HD3 LYS A 65 -3.707 9.131 9.957 1.00 52.44 H new ATOM 0 HE2 LYS A 65 -2.250 9.490 11.887 1.00 63.10 H new ATOM 0 HE3 LYS A 65 -1.824 10.614 10.612 1.00 63.10 H new ATOM 0 HZ1 LYS A 65 -1.941 11.647 12.827 1.00 22.14 H new ATOM 0 HZ2 LYS A 65 -3.018 12.361 11.726 1.00 22.14 H new ATOM 0 HZ3 LYS A 65 -3.598 11.287 12.906 1.00 22.14 H new ATOM 929 N ASN A 66 -8.075 12.464 8.308 1.00 14.30 N ATOM 930 CA ASN A 66 -8.465 12.773 6.938 1.00 0.33 C ATOM 931 C ASN A 66 -8.145 14.224 6.594 1.00 73.42 C ATOM 932 O ASN A 66 -7.505 14.507 5.582 1.00 3.50 O ATOM 933 CB ASN A 66 -9.959 12.508 6.739 1.00 35.23 C ATOM 934 CG ASN A 66 -10.286 12.081 5.321 1.00 23.31 C ATOM 935 OD1 ASN A 66 -11.182 12.638 4.685 1.00 14.24 O ATOM 936 ND2 ASN A 66 -9.561 11.088 4.820 1.00 24.44 N ATOM 0 H ASN A 66 -8.508 13.059 9.014 1.00 14.30 H new ATOM 0 HA ASN A 66 -7.895 12.126 6.271 1.00 0.33 H new ATOM 0 HB2 ASN A 66 -10.283 11.733 7.433 1.00 35.23 H new ATOM 0 HB3 ASN A 66 -10.521 13.410 6.983 1.00 35.23 H new ATOM 0 HD21 ASN A 66 -9.736 10.757 3.871 1.00 24.44 H new ATOM 0 HD22 ASN A 66 -8.829 10.656 5.384 1.00 24.44 H new ATOM 943 N VAL A 67 -8.594 15.141 7.445 1.00 71.04 N ATOM 944 CA VAL A 67 -8.353 16.563 7.233 1.00 63.53 C ATOM 945 C VAL A 67 -7.100 17.024 7.968 1.00 73.12 C ATOM 946 O VAL A 67 -7.070 18.110 8.547 1.00 65.20 O ATOM 947 CB VAL A 67 -9.551 17.411 7.704 1.00 60.42 C ATOM 948 CG1 VAL A 67 -10.804 17.046 6.921 1.00 33.31 C ATOM 949 CG2 VAL A 67 -9.776 17.232 9.198 1.00 52.14 C ATOM 0 H VAL A 67 -9.127 14.924 8.288 1.00 71.04 H new ATOM 0 HA VAL A 67 -8.215 16.704 6.161 1.00 63.53 H new ATOM 0 HB VAL A 67 -9.327 18.461 7.517 1.00 60.42 H new ATOM 0 HG11 VAL A 67 -11.639 17.655 7.267 1.00 33.31 H new ATOM 0 HG12 VAL A 67 -10.636 17.230 5.860 1.00 33.31 H new ATOM 0 HG13 VAL A 67 -11.035 15.992 7.075 1.00 33.31 H new ATOM 0 HG21 VAL A 67 -10.626 17.838 9.513 1.00 52.14 H new ATOM 0 HG22 VAL A 67 -9.979 16.183 9.412 1.00 52.14 H new ATOM 0 HG23 VAL A 67 -8.885 17.547 9.741 1.00 52.14 H new ATOM 959 N GLY A 68 -6.064 16.191 7.941 1.00 51.40 N ATOM 960 CA GLY A 68 -4.820 16.530 8.607 1.00 44.32 C ATOM 961 C GLY A 68 -4.042 17.603 7.869 1.00 34.44 C ATOM 962 O GLY A 68 -2.966 18.010 8.309 1.00 3.51 O ATOM 0 H GLY A 68 -6.064 15.287 7.469 1.00 51.40 H new ATOM 0 HA2 GLY A 68 -5.035 16.872 9.619 1.00 44.32 H new ATOM 0 HA3 GLY A 68 -4.204 15.635 8.697 1.00 44.32 H new ATOM 966 N TRP A 69 -4.583 18.057 6.745 1.00 65.11 N ATOM 967 CA TRP A 69 -3.930 19.087 5.944 1.00 22.44 C ATOM 968 C TRP A 69 -4.618 20.435 6.126 1.00 41.32 C ATOM 969 O TRP A 69 -3.992 21.485 5.988 1.00 11.12 O ATOM 970 CB TRP A 69 -3.937 18.692 4.467 1.00 3.12 C ATOM 971 CG TRP A 69 -5.167 17.938 4.058 1.00 52.22 C ATOM 972 CD1 TRP A 69 -5.371 16.592 4.154 1.00 4.35 C ATOM 973 CD2 TRP A 69 -6.359 18.488 3.487 1.00 61.25 C ATOM 974 NE1 TRP A 69 -6.620 16.272 3.677 1.00 13.12 N ATOM 975 CE2 TRP A 69 -7.246 17.418 3.263 1.00 31.32 C ATOM 976 CE3 TRP A 69 -6.765 19.782 3.147 1.00 72.12 C ATOM 977 CZ2 TRP A 69 -8.512 17.602 2.713 1.00 55.23 C ATOM 978 CZ3 TRP A 69 -8.021 19.963 2.600 1.00 61.03 C ATOM 979 CH2 TRP A 69 -8.883 18.879 2.389 1.00 13.35 C ATOM 0 H TRP A 69 -5.472 17.729 6.367 1.00 65.11 H new ATOM 0 HA TRP A 69 -2.898 19.178 6.284 1.00 22.44 H new ATOM 0 HB2 TRP A 69 -3.852 19.592 3.858 1.00 3.12 H new ATOM 0 HB3 TRP A 69 -3.059 18.081 4.258 1.00 3.12 H new ATOM 0 HD1 TRP A 69 -4.657 15.883 4.547 1.00 4.35 H new ATOM 0 HE1 TRP A 69 -7.017 15.333 3.638 1.00 13.12 H new ATOM 0 HE3 TRP A 69 -6.109 20.625 3.309 1.00 72.12 H new ATOM 0 HZ2 TRP A 69 -9.177 16.767 2.548 1.00 55.23 H new ATOM 0 HZ3 TRP A 69 -8.344 20.958 2.330 1.00 61.03 H new ATOM 0 HH2 TRP A 69 -9.859 19.054 1.962 1.00 13.35 H new ATOM 990 N ASN A 70 -5.909 20.399 6.438 1.00 22.44 N ATOM 991 CA ASN A 70 -6.682 21.620 6.639 1.00 15.42 C ATOM 992 C ASN A 70 -7.515 21.533 7.914 1.00 12.32 C ATOM 993 O ASN A 70 -7.230 22.210 8.901 1.00 72.42 O ATOM 994 CB ASN A 70 -7.594 21.874 5.436 1.00 73.23 C ATOM 995 CG ASN A 70 -6.904 22.671 4.346 1.00 63.24 C ATOM 996 OD1 ASN A 70 -5.688 22.859 4.374 1.00 71.22 O ATOM 997 ND2 ASN A 70 -7.681 23.146 3.380 1.00 1.24 N ATOM 0 H ASN A 70 -6.442 19.538 6.557 1.00 22.44 H new ATOM 0 HA ASN A 70 -5.984 22.451 6.739 1.00 15.42 H new ATOM 0 HB2 ASN A 70 -7.928 20.920 5.029 1.00 73.23 H new ATOM 0 HB3 ASN A 70 -8.485 22.409 5.765 1.00 73.23 H new ATOM 0 HD21 ASN A 70 -7.274 23.692 2.620 1.00 1.24 H new ATOM 0 HD22 ASN A 70 -8.685 22.965 3.398 1.00 1.24 H new ATOM 1004 N GLY A 71 -8.546 20.695 7.885 1.00 34.23 N ATOM 1005 CA GLY A 71 -9.404 20.534 9.044 1.00 23.14 C ATOM 1006 C GLY A 71 -10.143 21.809 9.400 1.00 13.55 C ATOM 1007 O GLY A 71 -10.716 21.922 10.484 1.00 41.30 O ATOM 0 H GLY A 71 -8.803 20.124 7.079 1.00 34.23 H new ATOM 0 HA2 GLY A 71 -10.126 19.741 8.850 1.00 23.14 H new ATOM 0 HA3 GLY A 71 -8.803 20.216 9.896 1.00 23.14 H new ATOM 1011 N THR A 72 -10.129 22.773 8.485 1.00 53.33 N ATOM 1012 CA THR A 72 -10.800 24.048 8.709 1.00 14.42 C ATOM 1013 C THR A 72 -12.314 23.897 8.614 1.00 72.11 C ATOM 1014 O THR A 72 -12.889 23.965 7.527 1.00 15.23 O ATOM 1015 CB THR A 72 -10.338 25.112 7.695 1.00 11.10 C ATOM 1016 OG1 THR A 72 -11.159 26.279 7.801 1.00 41.44 O ATOM 1017 CG2 THR A 72 -10.399 24.569 6.275 1.00 22.24 C ATOM 0 H THR A 72 -9.661 22.695 7.582 1.00 53.33 H new ATOM 0 HA THR A 72 -10.532 24.373 9.714 1.00 14.42 H new ATOM 0 HB THR A 72 -9.305 25.374 7.922 1.00 11.10 H new ATOM 0 HG1 THR A 72 -10.858 26.951 7.154 1.00 41.44 H new ATOM 0 HG21 THR A 72 -10.068 25.338 5.577 1.00 22.24 H new ATOM 0 HG22 THR A 72 -9.749 23.698 6.190 1.00 22.24 H new ATOM 0 HG23 THR A 72 -11.424 24.281 6.039 1.00 22.24 H new ATOM 1025 N LEU A 73 -12.956 23.692 9.759 1.00 54.41 N ATOM 1026 CA LEU A 73 -14.405 23.531 9.805 1.00 54.15 C ATOM 1027 C LEU A 73 -14.992 24.241 11.021 1.00 72.24 C ATOM 1028 O LEU A 73 -14.330 24.385 12.048 1.00 4.20 O ATOM 1029 CB LEU A 73 -14.773 22.046 9.840 1.00 53.44 C ATOM 1030 CG LEU A 73 -14.660 21.359 11.202 1.00 44.34 C ATOM 1031 CD1 LEU A 73 -16.038 20.974 11.719 1.00 61.13 C ATOM 1032 CD2 LEU A 73 -13.762 20.135 11.109 1.00 51.15 C ATOM 0 H LEU A 73 -12.496 23.633 10.668 1.00 54.41 H new ATOM 0 HA LEU A 73 -14.825 23.981 8.906 1.00 54.15 H new ATOM 0 HB2 LEU A 73 -15.798 21.938 9.484 1.00 53.44 H new ATOM 0 HB3 LEU A 73 -14.133 21.517 9.134 1.00 53.44 H new ATOM 0 HG LEU A 73 -14.212 22.060 11.906 1.00 44.34 H new ATOM 0 HD11 LEU A 73 -15.940 20.486 12.689 1.00 61.13 H new ATOM 0 HD12 LEU A 73 -16.651 21.869 11.824 1.00 61.13 H new ATOM 0 HD13 LEU A 73 -16.513 20.290 11.015 1.00 61.13 H new ATOM 0 HD21 LEU A 73 -13.693 19.659 12.087 1.00 51.15 H new ATOM 0 HD22 LEU A 73 -14.181 19.430 10.391 1.00 51.15 H new ATOM 0 HD23 LEU A 73 -12.767 20.438 10.782 1.00 51.15 H new ATOM 1044 N ALA A 74 -16.241 24.680 10.897 1.00 31.00 N ATOM 1045 CA ALA A 74 -16.920 25.370 11.987 1.00 55.43 C ATOM 1046 C ALA A 74 -16.865 24.553 13.273 1.00 50.21 C ATOM 1047 O ALA A 74 -16.582 23.356 13.264 1.00 34.33 O ATOM 1048 CB ALA A 74 -18.363 25.666 11.607 1.00 54.54 C ATOM 0 H ALA A 74 -16.803 24.570 10.053 1.00 31.00 H new ATOM 0 HA ALA A 74 -16.403 26.313 12.165 1.00 55.43 H new ATOM 0 HB1 ALA A 74 -18.858 26.181 12.430 1.00 54.54 H new ATOM 0 HB2 ALA A 74 -18.383 26.298 10.719 1.00 54.54 H new ATOM 0 HB3 ALA A 74 -18.884 24.731 11.399 1.00 54.54 H new ATOM 1054 N PRO A 75 -17.143 25.213 14.407 1.00 53.52 N ATOM 1055 CA PRO A 75 -17.132 24.566 15.722 1.00 72.14 C ATOM 1056 C PRO A 75 -18.287 23.586 15.895 1.00 62.21 C ATOM 1057 O PRO A 75 -18.345 22.848 16.878 1.00 14.22 O ATOM 1058 CB PRO A 75 -17.276 25.740 16.696 1.00 2.04 C ATOM 1059 CG PRO A 75 -17.965 26.801 15.909 1.00 71.53 C ATOM 1060 CD PRO A 75 -17.488 26.643 14.492 1.00 20.44 C ATOM 0 HA PRO A 75 -16.231 23.973 15.877 1.00 72.14 H new ATOM 0 HB2 PRO A 75 -17.857 25.457 17.574 1.00 2.04 H new ATOM 0 HB3 PRO A 75 -16.304 26.080 17.053 1.00 2.04 H new ATOM 0 HG2 PRO A 75 -19.048 26.691 15.971 1.00 71.53 H new ATOM 0 HG3 PRO A 75 -17.723 27.792 16.294 1.00 71.53 H new ATOM 0 HD2 PRO A 75 -18.263 26.913 13.774 1.00 20.44 H new ATOM 0 HD3 PRO A 75 -16.626 27.278 14.285 1.00 20.44 H new ATOM 1068 N GLY A 76 -19.205 23.584 14.934 1.00 53.43 N ATOM 1069 CA GLY A 76 -20.345 22.690 14.999 1.00 22.21 C ATOM 1070 C GLY A 76 -20.565 21.934 13.703 1.00 63.40 C ATOM 1071 O GLY A 76 -20.859 22.534 12.670 1.00 15.43 O ATOM 0 H GLY A 76 -19.179 24.186 14.111 1.00 53.43 H new ATOM 0 HA2 GLY A 76 -20.198 21.978 15.811 1.00 22.21 H new ATOM 0 HA3 GLY A 76 -21.240 23.265 15.237 1.00 22.21 H new ATOM 1075 N ALA A 77 -20.422 20.614 13.759 1.00 12.13 N ATOM 1076 CA ALA A 77 -20.607 19.776 12.580 1.00 13.11 C ATOM 1077 C ALA A 77 -20.423 18.301 12.921 1.00 55.30 C ATOM 1078 O ALA A 77 -20.018 17.957 14.032 1.00 63.30 O ATOM 1079 CB ALA A 77 -19.641 20.190 11.481 1.00 51.32 C ATOM 0 H ALA A 77 -20.179 20.102 14.607 1.00 12.13 H new ATOM 0 HA ALA A 77 -21.627 19.915 12.222 1.00 13.11 H new ATOM 0 HB1 ALA A 77 -19.791 19.556 10.607 1.00 51.32 H new ATOM 0 HB2 ALA A 77 -19.822 21.230 11.210 1.00 51.32 H new ATOM 0 HB3 ALA A 77 -18.617 20.081 11.837 1.00 51.32 H new ATOM 1085 N SER A 78 -20.722 17.434 11.960 1.00 11.34 N ATOM 1086 CA SER A 78 -20.592 15.995 12.159 1.00 62.01 C ATOM 1087 C SER A 78 -19.965 15.331 10.938 1.00 34.33 C ATOM 1088 O SER A 78 -20.379 15.574 9.804 1.00 33.52 O ATOM 1089 CB SER A 78 -21.961 15.374 12.445 1.00 71.12 C ATOM 1090 OG SER A 78 -22.675 16.133 13.406 1.00 12.10 O ATOM 0 H SER A 78 -21.056 17.703 11.035 1.00 11.34 H new ATOM 0 HA SER A 78 -19.938 15.829 13.015 1.00 62.01 H new ATOM 0 HB2 SER A 78 -22.537 15.316 11.522 1.00 71.12 H new ATOM 0 HB3 SER A 78 -21.833 14.353 12.805 1.00 71.12 H new ATOM 0 HG SER A 78 -23.547 15.716 13.570 1.00 12.10 H new ATOM 1096 N VAL A 79 -18.963 14.491 11.178 1.00 71.41 N ATOM 1097 CA VAL A 79 -18.278 13.790 10.098 1.00 74.33 C ATOM 1098 C VAL A 79 -17.892 12.377 10.520 1.00 14.44 C ATOM 1099 O VAL A 79 -17.010 12.186 11.358 1.00 10.30 O ATOM 1100 CB VAL A 79 -17.012 14.545 9.653 1.00 32.32 C ATOM 1101 CG1 VAL A 79 -16.401 13.885 8.427 1.00 55.44 C ATOM 1102 CG2 VAL A 79 -17.333 16.007 9.379 1.00 72.11 C ATOM 0 H VAL A 79 -18.608 14.279 12.110 1.00 71.41 H new ATOM 0 HA VAL A 79 -18.974 13.739 9.261 1.00 74.33 H new ATOM 0 HB VAL A 79 -16.281 14.503 10.460 1.00 32.32 H new ATOM 0 HG11 VAL A 79 -15.507 14.432 8.127 1.00 55.44 H new ATOM 0 HG12 VAL A 79 -16.134 12.855 8.663 1.00 55.44 H new ATOM 0 HG13 VAL A 79 -17.123 13.894 7.611 1.00 55.44 H new ATOM 0 HG21 VAL A 79 -16.427 16.526 9.066 1.00 72.11 H new ATOM 0 HG22 VAL A 79 -18.081 16.073 8.589 1.00 72.11 H new ATOM 0 HG23 VAL A 79 -17.721 16.470 10.286 1.00 72.11 H new ATOM 1112 N SER A 80 -18.558 11.387 9.934 1.00 3.44 N ATOM 1113 CA SER A 80 -18.287 9.990 10.250 1.00 74.04 C ATOM 1114 C SER A 80 -17.479 9.327 9.138 1.00 3.42 C ATOM 1115 O SER A 80 -17.775 9.497 7.954 1.00 35.30 O ATOM 1116 CB SER A 80 -19.597 9.230 10.466 1.00 0.53 C ATOM 1117 OG SER A 80 -20.325 9.116 9.255 1.00 44.42 O ATOM 0 H SER A 80 -19.290 11.527 9.237 1.00 3.44 H new ATOM 0 HA SER A 80 -17.701 9.959 11.169 1.00 74.04 H new ATOM 0 HB2 SER A 80 -19.384 8.237 10.861 1.00 0.53 H new ATOM 0 HB3 SER A 80 -20.202 9.746 11.211 1.00 0.53 H new ATOM 0 HG SER A 80 -21.157 8.625 9.419 1.00 44.42 H new ATOM 1123 N PHE A 81 -16.456 8.573 9.527 1.00 32.00 N ATOM 1124 CA PHE A 81 -15.603 7.886 8.564 1.00 5.23 C ATOM 1125 C PHE A 81 -15.672 6.374 8.760 1.00 11.22 C ATOM 1126 O PHE A 81 -15.453 5.869 9.859 1.00 22.50 O ATOM 1127 CB PHE A 81 -14.157 8.365 8.699 1.00 74.40 C ATOM 1128 CG PHE A 81 -13.530 8.015 10.019 1.00 23.54 C ATOM 1129 CD1 PHE A 81 -13.722 8.824 11.128 1.00 43.40 C ATOM 1130 CD2 PHE A 81 -12.751 6.877 10.152 1.00 51.11 C ATOM 1131 CE1 PHE A 81 -13.148 8.506 12.344 1.00 41.25 C ATOM 1132 CE2 PHE A 81 -12.175 6.553 11.366 1.00 64.33 C ATOM 1133 CZ PHE A 81 -12.373 7.369 12.463 1.00 55.24 C ATOM 0 H PHE A 81 -16.198 8.422 10.502 1.00 32.00 H new ATOM 0 HA PHE A 81 -15.963 8.122 7.563 1.00 5.23 H new ATOM 0 HB2 PHE A 81 -13.562 7.929 7.896 1.00 74.40 H new ATOM 0 HB3 PHE A 81 -14.127 9.447 8.567 1.00 74.40 H new ATOM 0 HD1 PHE A 81 -14.328 9.714 11.041 1.00 43.40 H new ATOM 0 HD2 PHE A 81 -12.592 6.236 9.298 1.00 51.11 H new ATOM 0 HE1 PHE A 81 -13.305 9.146 13.200 1.00 41.25 H new ATOM 0 HE2 PHE A 81 -11.571 5.663 11.457 1.00 64.33 H new ATOM 0 HZ PHE A 81 -11.923 7.118 13.412 1.00 55.24 H new ATOM 1143 N GLY A 82 -15.977 5.657 7.682 1.00 0.01 N ATOM 1144 CA GLY A 82 -16.070 4.211 7.755 1.00 21.55 C ATOM 1145 C GLY A 82 -14.803 3.524 7.286 1.00 51.11 C ATOM 1146 O GLY A 82 -13.883 4.175 6.789 1.00 65.01 O ATOM 0 H GLY A 82 -16.161 6.052 6.760 1.00 0.01 H new ATOM 0 HA2 GLY A 82 -16.281 3.915 8.783 1.00 21.55 H new ATOM 0 HA3 GLY A 82 -16.909 3.873 7.147 1.00 21.55 H new ATOM 1150 N PHE A 83 -14.753 2.206 7.443 1.00 72.34 N ATOM 1151 CA PHE A 83 -13.587 1.431 7.034 1.00 31.32 C ATOM 1152 C PHE A 83 -13.841 -0.065 7.205 1.00 22.11 C ATOM 1153 O PHE A 83 -14.893 -0.474 7.694 1.00 60.31 O ATOM 1154 CB PHE A 83 -12.360 1.847 7.848 1.00 12.55 C ATOM 1155 CG PHE A 83 -12.332 1.265 9.232 1.00 24.35 C ATOM 1156 CD1 PHE A 83 -12.954 1.916 10.285 1.00 4.44 C ATOM 1157 CD2 PHE A 83 -11.685 0.065 9.481 1.00 4.52 C ATOM 1158 CE1 PHE A 83 -12.930 1.382 11.559 1.00 51.32 C ATOM 1159 CE2 PHE A 83 -11.657 -0.473 10.753 1.00 13.23 C ATOM 1160 CZ PHE A 83 -12.282 0.186 11.794 1.00 14.53 C ATOM 0 H PHE A 83 -15.506 1.652 7.850 1.00 72.34 H new ATOM 0 HA PHE A 83 -13.400 1.632 5.979 1.00 31.32 H new ATOM 0 HB2 PHE A 83 -11.460 1.540 7.315 1.00 12.55 H new ATOM 0 HB3 PHE A 83 -12.333 2.934 7.919 1.00 12.55 H new ATOM 0 HD1 PHE A 83 -13.463 2.852 10.108 1.00 4.44 H new ATOM 0 HD2 PHE A 83 -11.197 -0.456 8.671 1.00 4.52 H new ATOM 0 HE1 PHE A 83 -13.418 1.900 12.371 1.00 51.32 H new ATOM 0 HE2 PHE A 83 -11.147 -1.408 10.933 1.00 13.23 H new ATOM 0 HZ PHE A 83 -12.264 -0.233 12.789 1.00 14.53 H new ATOM 1170 N ASN A 84 -12.870 -0.874 6.797 1.00 15.11 N ATOM 1171 CA ASN A 84 -12.988 -2.324 6.903 1.00 74.54 C ATOM 1172 C ASN A 84 -11.773 -2.918 7.611 1.00 42.04 C ATOM 1173 O ASN A 84 -10.633 -2.685 7.212 1.00 25.31 O ATOM 1174 CB ASN A 84 -13.137 -2.947 5.515 1.00 23.35 C ATOM 1175 CG ASN A 84 -14.482 -2.639 4.884 1.00 35.54 C ATOM 1176 OD1 ASN A 84 -14.558 -2.235 3.725 1.00 4.24 O ATOM 1177 ND2 ASN A 84 -15.551 -2.832 5.649 1.00 41.33 N ATOM 0 H ASN A 84 -11.992 -0.551 6.390 1.00 15.11 H new ATOM 0 HA ASN A 84 -13.877 -2.549 7.492 1.00 74.54 H new ATOM 0 HB2 ASN A 84 -12.342 -2.578 4.867 1.00 23.35 H new ATOM 0 HB3 ASN A 84 -13.012 -4.027 5.589 1.00 23.35 H new ATOM 0 HD21 ASN A 84 -16.483 -2.644 5.280 1.00 41.33 H new ATOM 0 HD22 ASN A 84 -15.440 -3.169 6.605 1.00 41.33 H new ATOM 1184 N GLY A 85 -12.027 -3.687 8.666 1.00 24.44 N ATOM 1185 CA GLY A 85 -10.947 -4.304 9.412 1.00 50.24 C ATOM 1186 C GLY A 85 -11.105 -5.806 9.529 1.00 34.34 C ATOM 1187 O GLY A 85 -12.196 -6.340 9.328 1.00 2.45 O ATOM 0 H GLY A 85 -12.962 -3.893 9.017 1.00 24.44 H new ATOM 0 HA2 GLY A 85 -9.998 -4.079 8.925 1.00 50.24 H new ATOM 0 HA3 GLY A 85 -10.904 -3.868 10.410 1.00 50.24 H new ATOM 1191 N SER A 86 -10.013 -6.491 9.853 1.00 32.51 N ATOM 1192 CA SER A 86 -10.034 -7.943 9.991 1.00 11.13 C ATOM 1193 C SER A 86 -9.889 -8.353 11.452 1.00 62.25 C ATOM 1194 O SER A 86 -8.826 -8.193 12.051 1.00 30.01 O ATOM 1195 CB SER A 86 -8.914 -8.572 9.159 1.00 11.30 C ATOM 1196 OG SER A 86 -9.075 -9.977 9.066 1.00 43.11 O ATOM 0 H SER A 86 -9.103 -6.064 10.025 1.00 32.51 H new ATOM 0 HA SER A 86 -10.995 -8.303 9.625 1.00 11.13 H new ATOM 0 HB2 SER A 86 -8.910 -8.136 8.160 1.00 11.30 H new ATOM 0 HB3 SER A 86 -7.949 -8.343 9.610 1.00 11.30 H new ATOM 0 HG SER A 86 -8.348 -10.355 8.528 1.00 43.11 H new ATOM 1202 N GLY A 87 -10.968 -8.882 12.023 1.00 74.12 N ATOM 1203 CA GLY A 87 -10.940 -9.306 13.411 1.00 11.02 C ATOM 1204 C GLY A 87 -12.311 -9.268 14.055 1.00 72.44 C ATOM 1205 O GLY A 87 -13.340 -9.294 13.379 1.00 35.50 O ATOM 0 H GLY A 87 -11.860 -9.024 11.549 1.00 74.12 H new ATOM 0 HA2 GLY A 87 -10.542 -10.319 13.471 1.00 11.02 H new ATOM 0 HA3 GLY A 87 -10.261 -8.663 13.971 1.00 11.02 H new ATOM 1209 N PRO A 88 -12.338 -9.206 15.395 1.00 13.14 N ATOM 1210 CA PRO A 88 -13.587 -9.165 16.160 1.00 60.51 C ATOM 1211 C PRO A 88 -14.330 -7.845 15.988 1.00 52.55 C ATOM 1212 O PRO A 88 -15.558 -7.812 15.949 1.00 43.22 O ATOM 1213 CB PRO A 88 -13.121 -9.330 17.610 1.00 14.12 C ATOM 1214 CG PRO A 88 -11.718 -8.831 17.615 1.00 50.13 C ATOM 1215 CD PRO A 88 -11.151 -9.173 16.265 1.00 52.12 C ATOM 0 HA PRO A 88 -14.290 -9.932 15.833 1.00 60.51 H new ATOM 0 HB2 PRO A 88 -13.747 -8.758 18.295 1.00 14.12 H new ATOM 0 HB3 PRO A 88 -13.172 -10.372 17.926 1.00 14.12 H new ATOM 0 HG2 PRO A 88 -11.687 -7.756 17.790 1.00 50.13 H new ATOM 0 HG3 PRO A 88 -11.140 -9.300 18.411 1.00 50.13 H new ATOM 0 HD2 PRO A 88 -10.429 -8.427 15.932 1.00 52.12 H new ATOM 0 HD3 PRO A 88 -10.635 -10.133 16.277 1.00 52.12 H new ATOM 1223 N GLY A 89 -13.574 -6.755 15.883 1.00 54.14 N ATOM 1224 CA GLY A 89 -14.178 -5.446 15.715 1.00 54.41 C ATOM 1225 C GLY A 89 -14.528 -4.795 17.038 1.00 75.01 C ATOM 1226 O GLY A 89 -15.444 -3.977 17.111 1.00 64.53 O ATOM 0 H GLY A 89 -12.554 -6.756 15.911 1.00 54.14 H new ATOM 0 HA2 GLY A 89 -13.492 -4.801 15.166 1.00 54.41 H new ATOM 0 HA3 GLY A 89 -15.080 -5.540 15.110 1.00 54.41 H new ATOM 1230 N SER A 90 -13.797 -5.159 18.087 1.00 11.44 N ATOM 1231 CA SER A 90 -14.039 -4.609 19.415 1.00 51.34 C ATOM 1232 C SER A 90 -12.876 -3.726 19.857 1.00 72.13 C ATOM 1233 O SER A 90 -12.036 -4.119 20.667 1.00 23.44 O ATOM 1234 CB SER A 90 -14.251 -5.736 20.427 1.00 50.14 C ATOM 1235 OG SER A 90 -15.620 -6.092 20.514 1.00 70.21 O ATOM 0 H SER A 90 -13.032 -5.833 18.042 1.00 11.44 H new ATOM 0 HA SER A 90 -14.940 -3.998 19.369 1.00 51.34 H new ATOM 0 HB2 SER A 90 -13.663 -6.606 20.135 1.00 50.14 H new ATOM 0 HB3 SER A 90 -13.891 -5.422 21.407 1.00 50.14 H new ATOM 0 HG SER A 90 -15.729 -6.815 21.166 1.00 70.21 H new ATOM 1241 N PRO A 91 -12.823 -2.501 19.313 1.00 11.25 N ATOM 1242 CA PRO A 91 -11.768 -1.535 19.636 1.00 10.33 C ATOM 1243 C PRO A 91 -11.885 -1.004 21.060 1.00 63.30 C ATOM 1244 O PRO A 91 -12.895 -1.216 21.730 1.00 61.24 O ATOM 1245 CB PRO A 91 -11.997 -0.409 18.624 1.00 14.32 C ATOM 1246 CG PRO A 91 -13.441 -0.503 18.272 1.00 63.43 C ATOM 1247 CD PRO A 91 -13.790 -1.964 18.341 1.00 3.32 C ATOM 0 HA PRO A 91 -10.775 -1.981 19.580 1.00 10.33 H new ATOM 0 HB2 PRO A 91 -11.757 0.564 19.053 1.00 14.32 H new ATOM 0 HB3 PRO A 91 -11.366 -0.534 17.744 1.00 14.32 H new ATOM 0 HG2 PRO A 91 -14.050 0.077 18.965 1.00 63.43 H new ATOM 0 HG3 PRO A 91 -13.626 -0.104 17.275 1.00 63.43 H new ATOM 0 HD2 PRO A 91 -14.818 -2.116 18.671 1.00 3.32 H new ATOM 0 HD3 PRO A 91 -13.692 -2.447 17.369 1.00 3.32 H new ATOM 1255 N SER A 92 -10.845 -0.312 21.516 1.00 24.35 N ATOM 1256 CA SER A 92 -10.831 0.247 22.862 1.00 33.51 C ATOM 1257 C SER A 92 -10.024 1.540 22.904 1.00 42.33 C ATOM 1258 O SER A 92 -9.328 1.883 21.949 1.00 3.21 O ATOM 1259 CB SER A 92 -10.246 -0.764 23.851 1.00 22.12 C ATOM 1260 OG SER A 92 -11.252 -1.629 24.351 1.00 2.33 O ATOM 0 H SER A 92 -10.002 -0.126 20.973 1.00 24.35 H new ATOM 0 HA SER A 92 -11.859 0.471 23.147 1.00 33.51 H new ATOM 0 HB2 SER A 92 -9.469 -1.350 23.360 1.00 22.12 H new ATOM 0 HB3 SER A 92 -9.772 -0.236 24.678 1.00 22.12 H new ATOM 0 HG SER A 92 -11.966 -1.720 23.686 1.00 2.33 H new ATOM 1266 N ASN A 93 -10.123 2.257 24.019 1.00 73.44 N ATOM 1267 CA ASN A 93 -9.402 3.513 24.188 1.00 43.54 C ATOM 1268 C ASN A 93 -9.795 4.514 23.105 1.00 14.44 C ATOM 1269 O ASN A 93 -8.934 5.120 22.464 1.00 22.24 O ATOM 1270 CB ASN A 93 -7.892 3.270 24.151 1.00 0.44 C ATOM 1271 CG ASN A 93 -7.348 2.811 25.489 1.00 31.33 C ATOM 1272 OD1 ASN A 93 -7.285 1.614 25.769 1.00 21.42 O ATOM 1273 ND2 ASN A 93 -6.950 3.764 26.324 1.00 41.22 N ATOM 0 H ASN A 93 -10.696 1.989 24.819 1.00 73.44 H new ATOM 0 HA ASN A 93 -9.671 3.929 25.159 1.00 43.54 H new ATOM 0 HB2 ASN A 93 -7.666 2.520 23.393 1.00 0.44 H new ATOM 0 HB3 ASN A 93 -7.386 4.188 23.852 1.00 0.44 H new ATOM 0 HD21 ASN A 93 -6.574 3.516 27.239 1.00 41.22 H new ATOM 0 HD22 ASN A 93 -7.020 4.744 26.050 1.00 41.22 H new ATOM 1280 N CYS A 94 -11.096 4.681 22.905 1.00 5.44 N ATOM 1281 CA CYS A 94 -11.603 5.608 21.899 1.00 22.45 C ATOM 1282 C CYS A 94 -11.251 7.047 22.259 1.00 61.23 C ATOM 1283 O CYS A 94 -11.949 7.692 23.042 1.00 21.24 O ATOM 1284 CB CYS A 94 -13.119 5.461 21.757 1.00 40.00 C ATOM 1285 SG CYS A 94 -13.679 3.753 21.563 1.00 1.24 S ATOM 0 H CYS A 94 -11.820 4.187 23.426 1.00 5.44 H new ATOM 0 HA CYS A 94 -11.131 5.365 20.947 1.00 22.45 H new ATOM 0 HB2 CYS A 94 -13.599 5.892 22.636 1.00 40.00 H new ATOM 0 HB3 CYS A 94 -13.451 6.041 20.896 1.00 40.00 H new ATOM 0 HG CYS A 94 -14.221 3.605 20.391 1.00 1.24 H new ATOM 1291 N LYS A 95 -10.163 7.547 21.684 1.00 53.22 N ATOM 1292 CA LYS A 95 -9.716 8.910 21.943 1.00 62.42 C ATOM 1293 C LYS A 95 -9.654 9.718 20.651 1.00 13.05 C ATOM 1294 O LYS A 95 -8.942 9.355 19.714 1.00 51.32 O ATOM 1295 CB LYS A 95 -8.343 8.899 22.618 1.00 10.41 C ATOM 1296 CG LYS A 95 -8.407 8.736 24.126 1.00 10.13 C ATOM 1297 CD LYS A 95 -8.565 7.278 24.522 1.00 35.30 C ATOM 1298 CE LYS A 95 -8.641 7.116 26.033 1.00 74.13 C ATOM 1299 NZ LYS A 95 -7.374 7.529 26.700 1.00 12.35 N ATOM 0 H LYS A 95 -9.573 7.027 21.034 1.00 53.22 H new ATOM 0 HA LYS A 95 -10.438 9.381 22.610 1.00 62.42 H new ATOM 0 HB2 LYS A 95 -7.748 8.088 22.198 1.00 10.41 H new ATOM 0 HB3 LYS A 95 -7.825 9.829 22.383 1.00 10.41 H new ATOM 0 HG2 LYS A 95 -7.500 9.140 24.576 1.00 10.13 H new ATOM 0 HG3 LYS A 95 -9.243 9.314 24.520 1.00 10.13 H new ATOM 0 HD2 LYS A 95 -9.468 6.872 24.066 1.00 35.30 H new ATOM 0 HD3 LYS A 95 -7.725 6.702 24.135 1.00 35.30 H new ATOM 0 HE2 LYS A 95 -9.467 7.712 26.421 1.00 74.13 H new ATOM 0 HE3 LYS A 95 -8.857 6.076 26.276 1.00 74.13 H new ATOM 0 HZ1 LYS A 95 -7.387 7.218 27.692 1.00 12.35 H new ATOM 0 HZ2 LYS A 95 -6.566 7.093 26.211 1.00 12.35 H new ATOM 0 HZ3 LYS A 95 -7.284 8.564 26.663 1.00 12.35 H new ATOM 1313 N LEU A 96 -10.403 10.815 20.607 1.00 34.23 N ATOM 1314 CA LEU A 96 -10.430 11.675 19.430 1.00 3.04 C ATOM 1315 C LEU A 96 -10.079 13.113 19.797 1.00 25.43 C ATOM 1316 O LEU A 96 -10.252 13.532 20.941 1.00 63.21 O ATOM 1317 CB LEU A 96 -11.811 11.628 18.772 1.00 31.23 C ATOM 1318 CG LEU A 96 -12.866 12.569 19.357 1.00 34.14 C ATOM 1319 CD1 LEU A 96 -13.083 13.762 18.439 1.00 23.52 C ATOM 1320 CD2 LEU A 96 -14.174 11.825 19.588 1.00 52.51 C ATOM 0 H LEU A 96 -10.999 11.129 21.373 1.00 34.23 H new ATOM 0 HA LEU A 96 -9.684 11.307 18.725 1.00 3.04 H new ATOM 0 HB2 LEU A 96 -11.695 11.858 17.713 1.00 31.23 H new ATOM 0 HB3 LEU A 96 -12.188 10.607 18.837 1.00 31.23 H new ATOM 0 HG LEU A 96 -12.506 12.937 20.318 1.00 34.14 H new ATOM 0 HD11 LEU A 96 -13.837 14.421 18.871 1.00 23.52 H new ATOM 0 HD12 LEU A 96 -12.147 14.308 18.324 1.00 23.52 H new ATOM 0 HD13 LEU A 96 -13.422 13.413 17.463 1.00 23.52 H new ATOM 0 HD21 LEU A 96 -14.913 12.509 20.004 1.00 52.51 H new ATOM 0 HD22 LEU A 96 -14.539 11.429 18.641 1.00 52.51 H new ATOM 0 HD23 LEU A 96 -14.007 11.003 20.285 1.00 52.51 H new ATOM 1332 N ASN A 97 -9.587 13.865 18.818 1.00 75.15 N ATOM 1333 CA ASN A 97 -9.213 15.258 19.039 1.00 34.14 C ATOM 1334 C ASN A 97 -8.071 15.361 20.046 1.00 14.32 C ATOM 1335 O ASN A 97 -7.929 16.368 20.739 1.00 4.50 O ATOM 1336 CB ASN A 97 -10.418 16.059 19.534 1.00 23.32 C ATOM 1337 CG ASN A 97 -10.724 17.251 18.646 1.00 32.25 C ATOM 1338 OD1 ASN A 97 -11.833 17.385 18.130 1.00 3.25 O ATOM 1339 ND2 ASN A 97 -9.739 18.121 18.465 1.00 54.33 N ATOM 0 H ASN A 97 -9.438 13.534 17.865 1.00 75.15 H new ATOM 0 HA ASN A 97 -8.875 15.673 18.089 1.00 34.14 H new ATOM 0 HB2 ASN A 97 -11.291 15.408 19.577 1.00 23.32 H new ATOM 0 HB3 ASN A 97 -10.228 16.405 20.550 1.00 23.32 H new ATOM 0 HD21 ASN A 97 -9.885 18.942 17.878 1.00 54.33 H new ATOM 0 HD22 ASN A 97 -8.835 17.969 18.913 1.00 54.33 H new ATOM 1346 N GLY A 98 -7.258 14.311 20.121 1.00 43.23 N ATOM 1347 CA GLY A 98 -6.139 14.305 21.046 1.00 1.33 C ATOM 1348 C GLY A 98 -6.543 13.875 22.442 1.00 11.33 C ATOM 1349 O GLY A 98 -6.106 14.463 23.430 1.00 31.13 O ATOM 0 H GLY A 98 -7.354 13.466 19.559 1.00 43.23 H new ATOM 0 HA2 GLY A 98 -5.366 13.634 20.672 1.00 1.33 H new ATOM 0 HA3 GLY A 98 -5.702 15.302 21.089 1.00 1.33 H new ATOM 1353 N GLY A 99 -7.383 12.848 22.523 1.00 63.13 N ATOM 1354 CA GLY A 99 -7.834 12.359 23.814 1.00 23.01 C ATOM 1355 C GLY A 99 -9.146 12.984 24.244 1.00 22.53 C ATOM 1356 O GLY A 99 -9.184 13.785 25.178 1.00 34.10 O ATOM 0 H GLY A 99 -7.759 12.346 21.719 1.00 63.13 H new ATOM 0 HA2 GLY A 99 -7.948 11.276 23.769 1.00 23.01 H new ATOM 0 HA3 GLY A 99 -7.072 12.568 24.565 1.00 23.01 H new ATOM 1360 N SER A 100 -10.226 12.618 23.560 1.00 24.11 N ATOM 1361 CA SER A 100 -11.546 13.153 23.873 1.00 32.35 C ATOM 1362 C SER A 100 -12.643 12.203 23.401 1.00 33.40 C ATOM 1363 O SER A 100 -12.626 11.735 22.262 1.00 40.34 O ATOM 1364 CB SER A 100 -11.731 14.526 23.225 1.00 10.52 C ATOM 1365 OG SER A 100 -12.110 15.497 24.184 1.00 24.41 O ATOM 0 H SER A 100 -10.213 11.954 22.786 1.00 24.11 H new ATOM 0 HA SER A 100 -11.621 13.258 24.955 1.00 32.35 H new ATOM 0 HB2 SER A 100 -10.803 14.831 22.742 1.00 10.52 H new ATOM 0 HB3 SER A 100 -12.491 14.464 22.446 1.00 10.52 H new ATOM 0 HG SER A 100 -12.523 16.261 23.730 1.00 24.41 H new ATOM 1371 N CYS A 101 -13.595 11.922 24.284 1.00 74.15 N ATOM 1372 CA CYS A 101 -14.700 11.027 23.960 1.00 50.44 C ATOM 1373 C CYS A 101 -15.679 10.929 25.124 1.00 40.21 C ATOM 1374 O CYS A 101 -15.424 11.451 26.209 1.00 43.11 O ATOM 1375 CB CYS A 101 -14.170 9.638 23.604 1.00 52.01 C ATOM 1376 SG CYS A 101 -15.083 8.818 22.276 1.00 35.01 S ATOM 0 H CYS A 101 -13.624 12.301 25.230 1.00 74.15 H new ATOM 0 HA CYS A 101 -15.228 11.438 23.099 1.00 50.44 H new ATOM 0 HB2 CYS A 101 -13.123 9.724 23.312 1.00 52.01 H new ATOM 0 HB3 CYS A 101 -14.202 9.010 24.494 1.00 52.01 H new ATOM 0 HG CYS A 101 -14.358 7.860 21.778 1.00 35.01 H new ATOM 1382 N ASP A 102 -16.801 10.257 24.891 1.00 60.04 N ATOM 1383 CA ASP A 102 -17.821 10.090 25.920 1.00 52.41 C ATOM 1384 C ASP A 102 -18.183 8.619 26.093 1.00 32.33 C ATOM 1385 O ASP A 102 -19.163 8.139 25.526 1.00 21.31 O ATOM 1386 CB ASP A 102 -19.071 10.897 25.566 1.00 43.52 C ATOM 1387 CG ASP A 102 -19.898 11.248 26.787 1.00 41.35 C ATOM 1388 OD1 ASP A 102 -19.330 11.280 27.898 1.00 65.43 O ATOM 1389 OD2 ASP A 102 -21.113 11.492 26.630 1.00 53.00 O ATOM 0 H ASP A 102 -17.027 9.819 23.998 1.00 60.04 H new ATOM 0 HA ASP A 102 -17.415 10.459 26.862 1.00 52.41 H new ATOM 0 HB2 ASP A 102 -18.776 11.813 25.055 1.00 43.52 H new ATOM 0 HB3 ASP A 102 -19.683 10.326 24.868 1.00 43.52 H new ATOM 1394 N GLY A 103 -17.381 7.905 26.880 1.00 23.01 N ATOM 1395 CA GLY A 103 -17.633 6.495 27.112 1.00 43.13 C ATOM 1396 C GLY A 103 -16.573 5.607 26.492 1.00 5.11 C ATOM 1397 O GLY A 103 -16.890 4.632 25.809 1.00 41.35 O ATOM 0 H GLY A 103 -16.562 8.279 27.360 1.00 23.01 H new ATOM 0 HA2 GLY A 103 -17.676 6.309 28.185 1.00 43.13 H new ATOM 0 HA3 GLY A 103 -18.608 6.231 26.703 1.00 43.13 H new ATOM 1401 N THR A 104 -15.308 5.945 26.727 1.00 24.43 N ATOM 1402 CA THR A 104 -14.198 5.173 26.183 1.00 22.41 C ATOM 1403 C THR A 104 -14.082 3.817 26.872 1.00 62.02 C ATOM 1404 O THR A 104 -14.514 3.651 28.012 1.00 72.32 O ATOM 1405 CB THR A 104 -12.864 5.927 26.332 1.00 53.13 C ATOM 1406 OG1 THR A 104 -11.810 5.188 25.705 1.00 32.23 O ATOM 1407 CG2 THR A 104 -12.529 6.151 27.800 1.00 32.14 C ATOM 0 H THR A 104 -15.028 6.748 27.290 1.00 24.43 H new ATOM 0 HA THR A 104 -14.406 5.023 25.124 1.00 22.41 H new ATOM 0 HB THR A 104 -12.965 6.898 25.846 1.00 53.13 H new ATOM 0 HG1 THR A 104 -10.966 5.676 25.803 1.00 32.23 H new ATOM 0 HG21 THR A 104 -11.582 6.685 27.880 1.00 32.14 H new ATOM 0 HG22 THR A 104 -13.318 6.739 28.268 1.00 32.14 H new ATOM 0 HG23 THR A 104 -12.446 5.189 28.305 1.00 32.14 H new ATOM 1415 N SER A 105 -13.496 2.851 26.172 1.00 40.45 N ATOM 1416 CA SER A 105 -13.325 1.509 26.715 1.00 43.23 C ATOM 1417 C SER A 105 -11.896 1.299 27.206 1.00 62.21 C ATOM 1418 O SER A 105 -11.003 0.973 26.426 1.00 22.13 O ATOM 1419 CB SER A 105 -13.673 0.460 25.656 1.00 31.51 C ATOM 1420 OG SER A 105 -14.908 0.759 25.028 1.00 35.11 O ATOM 0 H SER A 105 -13.132 2.973 25.227 1.00 40.45 H new ATOM 0 HA SER A 105 -14.001 1.398 27.563 1.00 43.23 H new ATOM 0 HB2 SER A 105 -12.882 0.418 24.908 1.00 31.51 H new ATOM 0 HB3 SER A 105 -13.726 -0.525 26.119 1.00 31.51 H new ATOM 0 HG SER A 105 -15.107 0.075 24.355 1.00 35.11 H new TER 1426 SER A 105