USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=38 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 94 CYS SG : rot 180:sc= 0.0208 USER MOD Set 1.2: A 104 THR OG1 : rot -150:sc= -0.627 USER MOD Set 2.1: A 61 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-2.3) USER MOD Set 2.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 11 THR OG1 : rot 170:sc= -0.142 USER MOD Set 3.2: A 21 SER OG : rot 84:sc= 0.769 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0785 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+ 136:sc= -0.421 (180deg=-2.53!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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= -1.49 X(o=-1.5,f=-1.7) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 89:sc= 1.21 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.053 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 121:sc= 0.682 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 49 SER OG : rot 25:sc= 0.0229 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 57 ASN : amide:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 58 SER OG : rot 29:sc= 0.786 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.623 (180deg=-1.03) USER MOD Single : A 66 ASN : amide:sc= -0.897 K(o=-0.9,f=-2) USER MOD Single : A 70 ASN : amide:sc= -2.06 K(o=-2.1,f=-2.8) 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 52:sc= 0.106 USER MOD Single : A 84 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.5) 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 7:sc= 0.205 USER MOD Single : A 93 ASN : amide:sc= -2.05 K(o=-2.1,f=-0.065) USER MOD Single : A 97 ASN : amide:sc= -0.0581 X(o=-0.058,f=-0.26) USER MOD Single : A 100 SER OG : rot -93:sc= 0.754 USER MOD Single : A 101 CYS SG : rot 168:sc= -0.134 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.450 18.375 28.451 1.00 32.41 N ATOM 2 CA ALA A 1 -19.265 19.762 28.857 1.00 0.44 C ATOM 3 C ALA A 1 -18.903 20.638 27.663 1.00 42.44 C ATOM 4 O ALA A 1 -17.896 21.347 27.681 1.00 15.15 O ATOM 5 CB ALA A 1 -18.191 19.859 29.930 1.00 34.01 C ATOM 0 H1 ALA A 1 -19.696 17.800 29.282 1.00 32.41 H new ATOM 0 H2 ALA A 1 -20.217 18.318 27.751 1.00 32.41 H new ATOM 0 H3 ALA A 1 -18.569 18.016 28.030 1.00 32.41 H new ATOM 0 HA ALA A 1 -20.207 20.124 29.268 1.00 0.44 H new ATOM 0 HB1 ALA A 1 -18.063 20.901 30.224 1.00 34.01 H new ATOM 0 HB2 ALA A 1 -18.490 19.271 30.798 1.00 34.01 H new ATOM 0 HB3 ALA A 1 -17.249 19.475 29.538 1.00 34.01 H new ATOM 11 N THR A 2 -19.732 20.589 26.625 1.00 13.23 N ATOM 12 CA THR A 2 -19.499 21.377 25.421 1.00 72.03 C ATOM 13 C THR A 2 -18.129 21.075 24.823 1.00 1.24 C ATOM 14 O THR A 2 -17.122 21.652 25.231 1.00 61.41 O ATOM 15 CB THR A 2 -19.598 22.887 25.711 1.00 2.53 C ATOM 16 OG1 THR A 2 -20.078 23.099 27.043 1.00 0.31 O ATOM 17 CG2 THR A 2 -20.526 23.568 24.717 1.00 75.12 C ATOM 0 H THR A 2 -20.572 20.011 26.594 1.00 13.23 H new ATOM 0 HA THR A 2 -20.274 21.100 24.706 1.00 72.03 H new ATOM 0 HB THR A 2 -18.603 23.321 25.611 1.00 2.53 H new ATOM 0 HG1 THR A 2 -20.137 24.061 27.220 1.00 0.31 H new ATOM 0 HG21 THR A 2 -20.581 24.633 24.941 1.00 75.12 H new ATOM 0 HG22 THR A 2 -20.142 23.429 23.706 1.00 75.12 H new ATOM 0 HG23 THR A 2 -21.522 23.130 24.790 1.00 75.12 H new ATOM 25 N SER A 3 -18.100 20.166 23.853 1.00 40.33 N ATOM 26 CA SER A 3 -16.853 19.785 23.200 1.00 62.43 C ATOM 27 C SER A 3 -17.111 18.784 22.079 1.00 44.52 C ATOM 28 O SER A 3 -18.257 18.531 21.710 1.00 32.45 O ATOM 29 CB SER A 3 -15.881 19.188 24.219 1.00 34.42 C ATOM 30 OG SER A 3 -15.999 17.776 24.270 1.00 23.14 O ATOM 0 H SER A 3 -18.925 19.680 23.502 1.00 40.33 H new ATOM 0 HA SER A 3 -16.409 20.682 22.768 1.00 62.43 H new ATOM 0 HB2 SER A 3 -14.859 19.461 23.955 1.00 34.42 H new ATOM 0 HB3 SER A 3 -16.079 19.609 25.205 1.00 34.42 H new ATOM 0 HG SER A 3 -15.366 17.418 24.927 1.00 23.14 H new ATOM 36 N ALA A 4 -16.036 18.218 21.540 1.00 51.43 N ATOM 37 CA ALA A 4 -16.144 17.244 20.462 1.00 3.43 C ATOM 38 C ALA A 4 -16.193 15.822 21.010 1.00 51.20 C ATOM 39 O ALA A 4 -15.412 15.457 21.890 1.00 54.40 O ATOM 40 CB ALA A 4 -14.982 17.398 19.491 1.00 64.13 C ATOM 0 H ALA A 4 -15.080 18.418 21.833 1.00 51.43 H new ATOM 0 HA ALA A 4 -17.076 17.432 19.928 1.00 3.43 H new ATOM 0 HB1 ALA A 4 -15.076 16.664 18.691 1.00 64.13 H new ATOM 0 HB2 ALA A 4 -14.994 18.401 19.066 1.00 64.13 H new ATOM 0 HB3 ALA A 4 -14.042 17.239 20.020 1.00 64.13 H new ATOM 46 N THR A 5 -17.115 15.020 20.485 1.00 45.15 N ATOM 47 CA THR A 5 -17.267 13.639 20.924 1.00 14.43 C ATOM 48 C THR A 5 -17.459 12.703 19.736 1.00 72.22 C ATOM 49 O THR A 5 -17.632 13.151 18.603 1.00 35.02 O ATOM 50 CB THR A 5 -18.459 13.482 21.886 1.00 40.42 C ATOM 51 OG1 THR A 5 -19.302 14.637 21.812 1.00 64.02 O ATOM 52 CG2 THR A 5 -17.979 13.289 23.316 1.00 30.02 C ATOM 0 H THR A 5 -17.768 15.304 19.755 1.00 45.15 H new ATOM 0 HA THR A 5 -16.350 13.372 21.449 1.00 14.43 H new ATOM 0 HB THR A 5 -19.025 12.599 21.588 1.00 40.42 H new ATOM 0 HG1 THR A 5 -20.059 14.529 22.425 1.00 64.02 H new ATOM 0 HG21 THR A 5 -18.839 13.180 23.977 1.00 30.02 H new ATOM 0 HG22 THR A 5 -17.361 12.393 23.375 1.00 30.02 H new ATOM 0 HG23 THR A 5 -17.393 14.155 23.623 1.00 30.02 H new ATOM 60 N ALA A 6 -17.430 11.402 20.003 1.00 51.32 N ATOM 61 CA ALA A 6 -17.604 10.403 18.956 1.00 62.45 C ATOM 62 C ALA A 6 -18.210 9.120 19.517 1.00 11.42 C ATOM 63 O ALA A 6 -18.209 8.898 20.728 1.00 4.32 O ATOM 64 CB ALA A 6 -16.273 10.109 18.280 1.00 51.53 C ATOM 0 H ALA A 6 -17.288 11.015 20.936 1.00 51.32 H new ATOM 0 HA ALA A 6 -18.294 10.806 18.214 1.00 62.45 H new ATOM 0 HB1 ALA A 6 -16.418 9.361 17.500 1.00 51.53 H new ATOM 0 HB2 ALA A 6 -15.880 11.024 17.837 1.00 51.53 H new ATOM 0 HB3 ALA A 6 -15.566 9.731 19.018 1.00 51.53 H new ATOM 70 N THR A 7 -18.726 8.278 18.627 1.00 4.11 N ATOM 71 CA THR A 7 -19.337 7.018 19.033 1.00 45.12 C ATOM 72 C THR A 7 -18.987 5.899 18.060 1.00 3.01 C ATOM 73 O THR A 7 -18.927 6.112 16.848 1.00 11.02 O ATOM 74 CB THR A 7 -20.870 7.141 19.126 1.00 61.12 C ATOM 75 OG1 THR A 7 -21.423 5.949 19.694 1.00 63.03 O ATOM 76 CG2 THR A 7 -21.477 7.385 17.753 1.00 63.44 C ATOM 0 H THR A 7 -18.733 8.446 17.621 1.00 4.11 H new ATOM 0 HA THR A 7 -18.939 6.777 20.019 1.00 45.12 H new ATOM 0 HB THR A 7 -21.107 7.991 19.766 1.00 61.12 H new ATOM 0 HG1 THR A 7 -22.397 6.036 19.751 1.00 63.03 H new ATOM 0 HG21 THR A 7 -22.560 7.468 17.844 1.00 63.44 H new ATOM 0 HG22 THR A 7 -21.075 8.309 17.337 1.00 63.44 H new ATOM 0 HG23 THR A 7 -21.231 6.553 17.093 1.00 63.44 H new ATOM 84 N PHE A 8 -18.756 4.705 18.596 1.00 24.24 N ATOM 85 CA PHE A 8 -18.412 3.551 17.773 1.00 61.51 C ATOM 86 C PHE A 8 -19.658 2.952 17.128 1.00 21.22 C ATOM 87 O PHE A 8 -20.715 2.869 17.752 1.00 34.42 O ATOM 88 CB PHE A 8 -17.701 2.491 18.617 1.00 44.11 C ATOM 89 CG PHE A 8 -17.322 1.262 17.841 1.00 40.52 C ATOM 90 CD1 PHE A 8 -16.258 1.289 16.952 1.00 64.24 C ATOM 91 CD2 PHE A 8 -18.027 0.081 18.000 1.00 33.35 C ATOM 92 CE1 PHE A 8 -15.908 0.160 16.237 1.00 54.41 C ATOM 93 CE2 PHE A 8 -17.680 -1.051 17.287 1.00 21.41 C ATOM 94 CZ PHE A 8 -16.619 -1.011 16.405 1.00 13.02 C ATOM 0 H PHE A 8 -18.801 4.511 19.596 1.00 24.24 H new ATOM 0 HA PHE A 8 -17.741 3.887 16.982 1.00 61.51 H new ATOM 0 HB2 PHE A 8 -16.802 2.928 19.052 1.00 44.11 H new ATOM 0 HB3 PHE A 8 -18.349 2.203 19.445 1.00 44.11 H new ATOM 0 HD1 PHE A 8 -15.697 2.202 16.817 1.00 64.24 H new ATOM 0 HD2 PHE A 8 -18.858 0.044 18.689 1.00 33.35 H new ATOM 0 HE1 PHE A 8 -15.078 0.194 15.547 1.00 54.41 H new ATOM 0 HE2 PHE A 8 -18.238 -1.966 17.420 1.00 21.41 H new ATOM 0 HZ PHE A 8 -16.346 -1.895 15.847 1.00 13.02 H new ATOM 104 N ALA A 9 -19.524 2.537 15.872 1.00 24.52 N ATOM 105 CA ALA A 9 -20.638 1.944 15.141 1.00 62.02 C ATOM 106 C ALA A 9 -20.176 0.756 14.304 1.00 31.30 C ATOM 107 O ALA A 9 -18.984 0.598 14.037 1.00 41.04 O ATOM 108 CB ALA A 9 -21.304 2.988 14.258 1.00 2.34 C ATOM 0 H ALA A 9 -18.656 2.600 15.340 1.00 24.52 H new ATOM 0 HA ALA A 9 -21.365 1.581 15.867 1.00 62.02 H new ATOM 0 HB1 ALA A 9 -22.134 2.532 13.718 1.00 2.34 H new ATOM 0 HB2 ALA A 9 -21.678 3.803 14.877 1.00 2.34 H new ATOM 0 HB3 ALA A 9 -20.578 3.378 13.545 1.00 2.34 H new ATOM 114 N LYS A 10 -21.125 -0.078 13.893 1.00 61.24 N ATOM 115 CA LYS A 10 -20.816 -1.252 13.087 1.00 4.22 C ATOM 116 C LYS A 10 -21.313 -1.074 11.655 1.00 71.21 C ATOM 117 O LYS A 10 -22.254 -0.321 11.402 1.00 54.11 O ATOM 118 CB LYS A 10 -21.446 -2.502 13.705 1.00 54.23 C ATOM 119 CG LYS A 10 -20.481 -3.667 13.836 1.00 12.32 C ATOM 120 CD LYS A 10 -20.630 -4.647 12.684 1.00 53.21 C ATOM 121 CE LYS A 10 -19.302 -5.297 12.329 1.00 73.55 C ATOM 122 NZ LYS A 10 -18.673 -5.953 13.508 1.00 75.44 N ATOM 0 H LYS A 10 -22.116 0.038 14.105 1.00 61.24 H new ATOM 0 HA LYS A 10 -19.733 -1.372 13.066 1.00 4.22 H new ATOM 0 HB2 LYS A 10 -21.837 -2.252 14.691 1.00 54.23 H new ATOM 0 HB3 LYS A 10 -22.295 -2.811 13.095 1.00 54.23 H new ATOM 0 HG2 LYS A 10 -19.458 -3.292 13.866 1.00 12.32 H new ATOM 0 HG3 LYS A 10 -20.659 -4.183 14.779 1.00 12.32 H new ATOM 0 HD2 LYS A 10 -21.353 -5.417 12.952 1.00 53.21 H new ATOM 0 HD3 LYS A 10 -21.026 -4.127 11.812 1.00 53.21 H new ATOM 0 HE2 LYS A 10 -19.458 -6.036 11.543 1.00 73.55 H new ATOM 0 HE3 LYS A 10 -18.624 -4.543 11.928 1.00 73.55 H new ATOM 0 HZ1 LYS A 10 -18.306 -6.886 13.231 1.00 75.44 H new ATOM 0 HZ2 LYS A 10 -17.891 -5.363 13.857 1.00 75.44 H new ATOM 0 HZ3 LYS A 10 -19.382 -6.069 14.260 1.00 75.44 H new ATOM 136 N THR A 11 -20.676 -1.774 10.721 1.00 11.02 N ATOM 137 CA THR A 11 -21.054 -1.694 9.316 1.00 22.11 C ATOM 138 C THR A 11 -21.504 -3.052 8.789 1.00 50.34 C ATOM 139 O THR A 11 -22.629 -3.203 8.316 1.00 24.43 O ATOM 140 CB THR A 11 -19.889 -1.180 8.449 1.00 52.41 C ATOM 141 OG1 THR A 11 -18.961 -0.451 9.260 1.00 15.52 O ATOM 142 CG2 THR A 11 -20.401 -0.287 7.328 1.00 31.14 C ATOM 0 H THR A 11 -19.896 -2.403 10.913 1.00 11.02 H new ATOM 0 HA THR A 11 -21.883 -0.990 9.252 1.00 22.11 H new ATOM 0 HB THR A 11 -19.387 -2.040 8.006 1.00 52.41 H new ATOM 0 HG1 THR A 11 -18.149 -0.266 8.743 1.00 15.52 H new ATOM 0 HG21 THR A 11 -19.560 0.064 6.729 1.00 31.14 H new ATOM 0 HG22 THR A 11 -21.085 -0.853 6.696 1.00 31.14 H new ATOM 0 HG23 THR A 11 -20.925 0.569 7.755 1.00 31.14 H new ATOM 150 N SER A 12 -20.616 -4.037 8.875 1.00 1.25 N ATOM 151 CA SER A 12 -20.921 -5.383 8.404 1.00 3.24 C ATOM 152 C SER A 12 -19.735 -6.318 8.624 1.00 23.11 C ATOM 153 O SER A 12 -18.602 -5.996 8.266 1.00 1.11 O ATOM 154 CB SER A 12 -21.294 -5.355 6.920 1.00 11.14 C ATOM 155 OG SER A 12 -20.226 -5.828 6.117 1.00 43.42 O ATOM 0 H SER A 12 -19.680 -3.929 9.266 1.00 1.25 H new ATOM 0 HA SER A 12 -21.769 -5.758 8.978 1.00 3.24 H new ATOM 0 HB2 SER A 12 -22.179 -5.969 6.752 1.00 11.14 H new ATOM 0 HB3 SER A 12 -21.552 -4.338 6.626 1.00 11.14 H new ATOM 0 HG SER A 12 -20.490 -5.802 5.173 1.00 43.42 H new ATOM 161 N ASP A 13 -20.006 -7.476 9.215 1.00 15.11 N ATOM 162 CA ASP A 13 -18.962 -8.459 9.483 1.00 31.44 C ATOM 163 C ASP A 13 -19.200 -9.737 8.683 1.00 5.33 C ATOM 164 O ASP A 13 -20.288 -10.311 8.721 1.00 34.32 O ATOM 165 CB ASP A 13 -18.907 -8.782 10.977 1.00 13.25 C ATOM 166 CG ASP A 13 -20.280 -9.049 11.563 1.00 13.14 C ATOM 167 OD1 ASP A 13 -20.971 -8.074 11.921 1.00 62.15 O ATOM 168 OD2 ASP A 13 -20.662 -10.234 11.663 1.00 3.25 O ATOM 0 H ASP A 13 -20.939 -7.757 9.518 1.00 15.11 H new ATOM 0 HA ASP A 13 -18.008 -8.031 9.176 1.00 31.44 H new ATOM 0 HB2 ASP A 13 -18.272 -9.654 11.134 1.00 13.25 H new ATOM 0 HB3 ASP A 13 -18.444 -7.951 11.509 1.00 13.25 H new ATOM 173 N TRP A 14 -18.177 -10.173 7.958 1.00 31.40 N ATOM 174 CA TRP A 14 -18.275 -11.382 7.148 1.00 1.43 C ATOM 175 C TRP A 14 -17.414 -12.499 7.728 1.00 64.12 C ATOM 176 O TRP A 14 -16.294 -12.730 7.277 1.00 63.43 O ATOM 177 CB TRP A 14 -17.851 -11.091 5.707 1.00 60.20 C ATOM 178 CG TRP A 14 -16.589 -10.289 5.610 1.00 34.43 C ATOM 179 CD1 TRP A 14 -15.328 -10.769 5.394 1.00 62.05 C ATOM 180 CD2 TRP A 14 -16.465 -8.868 5.729 1.00 74.33 C ATOM 181 NE1 TRP A 14 -14.428 -9.730 5.370 1.00 71.04 N ATOM 182 CE2 TRP A 14 -15.101 -8.554 5.572 1.00 61.43 C ATOM 183 CE3 TRP A 14 -17.374 -7.829 5.950 1.00 32.15 C ATOM 184 CZ2 TRP A 14 -14.627 -7.246 5.632 1.00 75.02 C ATOM 185 CZ3 TRP A 14 -16.902 -6.533 6.009 1.00 4.21 C ATOM 186 CH2 TRP A 14 -15.539 -6.249 5.849 1.00 70.43 C ATOM 0 H TRP A 14 -17.270 -9.708 7.914 1.00 31.40 H new ATOM 0 HA TRP A 14 -19.315 -11.710 7.155 1.00 1.43 H new ATOM 0 HB2 TRP A 14 -17.715 -12.034 5.178 1.00 60.20 H new ATOM 0 HB3 TRP A 14 -18.654 -10.555 5.201 1.00 60.20 H new ATOM 0 HD1 TRP A 14 -15.076 -11.811 5.262 1.00 62.05 H new ATOM 0 HE1 TRP A 14 -13.422 -9.820 5.225 1.00 71.04 H new ATOM 0 HE3 TRP A 14 -18.427 -8.037 6.072 1.00 32.15 H new ATOM 0 HZ2 TRP A 14 -13.577 -7.026 5.512 1.00 75.02 H new ATOM 0 HZ3 TRP A 14 -17.596 -5.723 6.182 1.00 4.21 H new ATOM 0 HH2 TRP A 14 -15.202 -5.224 5.898 1.00 70.43 H new ATOM 197 N GLY A 15 -17.947 -13.189 8.732 1.00 73.43 N ATOM 198 CA GLY A 15 -17.213 -14.274 9.358 1.00 43.52 C ATOM 199 C GLY A 15 -16.085 -13.777 10.241 1.00 70.23 C ATOM 200 O GLY A 15 -16.264 -13.590 11.445 1.00 21.33 O ATOM 0 H GLY A 15 -18.873 -13.016 9.123 1.00 73.43 H new ATOM 0 HA2 GLY A 15 -17.899 -14.876 9.954 1.00 43.52 H new ATOM 0 HA3 GLY A 15 -16.805 -14.926 8.586 1.00 43.52 H new ATOM 204 N THR A 16 -14.917 -13.564 9.642 1.00 73.21 N ATOM 205 CA THR A 16 -13.755 -13.089 10.382 1.00 60.14 C ATOM 206 C THR A 16 -13.553 -11.591 10.187 1.00 11.43 C ATOM 207 O THR A 16 -12.847 -10.944 10.958 1.00 54.51 O ATOM 208 CB THR A 16 -12.474 -13.828 9.952 1.00 23.22 C ATOM 209 OG1 THR A 16 -11.354 -13.346 10.702 1.00 41.44 O ATOM 210 CG2 THR A 16 -12.214 -13.641 8.465 1.00 3.10 C ATOM 0 H THR A 16 -14.751 -13.713 8.647 1.00 73.21 H new ATOM 0 HA THR A 16 -13.947 -13.293 11.435 1.00 60.14 H new ATOM 0 HB THR A 16 -12.612 -14.891 10.149 1.00 23.22 H new ATOM 0 HG1 THR A 16 -10.544 -13.822 10.423 1.00 41.44 H new ATOM 0 HG21 THR A 16 -11.304 -14.172 8.185 1.00 3.10 H new ATOM 0 HG22 THR A 16 -13.055 -14.037 7.896 1.00 3.10 H new ATOM 0 HG23 THR A 16 -12.096 -12.580 8.247 1.00 3.10 H new ATOM 218 N GLY A 17 -14.180 -11.044 9.150 1.00 1.34 N ATOM 219 CA GLY A 17 -14.057 -9.626 8.871 1.00 42.33 C ATOM 220 C GLY A 17 -15.114 -8.802 9.579 1.00 5.03 C ATOM 221 O GLY A 17 -16.186 -9.309 9.914 1.00 52.13 O ATOM 0 H GLY A 17 -14.772 -11.559 8.498 1.00 1.34 H new ATOM 0 HA2 GLY A 17 -13.068 -9.283 9.177 1.00 42.33 H new ATOM 0 HA3 GLY A 17 -14.133 -9.462 7.796 1.00 42.33 H new ATOM 225 N PHE A 18 -14.815 -7.528 9.808 1.00 44.51 N ATOM 226 CA PHE A 18 -15.748 -6.632 10.483 1.00 11.43 C ATOM 227 C PHE A 18 -15.676 -5.226 9.893 1.00 31.04 C ATOM 228 O PHE A 18 -14.603 -4.750 9.527 1.00 12.33 O ATOM 229 CB PHE A 18 -15.448 -6.585 11.982 1.00 75.20 C ATOM 230 CG PHE A 18 -14.332 -5.645 12.341 1.00 4.05 C ATOM 231 CD1 PHE A 18 -13.019 -6.086 12.370 1.00 44.44 C ATOM 232 CD2 PHE A 18 -14.598 -4.320 12.649 1.00 75.51 C ATOM 233 CE1 PHE A 18 -11.991 -5.222 12.699 1.00 31.13 C ATOM 234 CE2 PHE A 18 -13.573 -3.453 12.978 1.00 64.35 C ATOM 235 CZ PHE A 18 -12.269 -3.905 13.005 1.00 13.03 C ATOM 0 H PHE A 18 -13.934 -7.092 9.536 1.00 44.51 H new ATOM 0 HA PHE A 18 -16.756 -7.018 10.333 1.00 11.43 H new ATOM 0 HB2 PHE A 18 -16.350 -6.286 12.516 1.00 75.20 H new ATOM 0 HB3 PHE A 18 -15.192 -7.588 12.325 1.00 75.20 H new ATOM 0 HD1 PHE A 18 -12.796 -7.116 12.133 1.00 44.44 H new ATOM 0 HD2 PHE A 18 -15.617 -3.961 12.632 1.00 75.51 H new ATOM 0 HE1 PHE A 18 -10.971 -5.577 12.717 1.00 31.13 H new ATOM 0 HE2 PHE A 18 -13.792 -2.422 13.214 1.00 64.35 H new ATOM 0 HZ PHE A 18 -11.468 -3.229 13.265 1.00 13.03 H new ATOM 245 N GLY A 19 -16.828 -4.568 9.805 1.00 75.30 N ATOM 246 CA GLY A 19 -16.874 -3.225 9.259 1.00 24.21 C ATOM 247 C GLY A 19 -16.953 -2.163 10.338 1.00 2.23 C ATOM 248 O GLY A 19 -17.930 -2.095 11.082 1.00 4.40 O ATOM 0 H GLY A 19 -17.730 -4.941 10.102 1.00 75.30 H new ATOM 0 HA2 GLY A 19 -15.987 -3.054 8.649 1.00 24.21 H new ATOM 0 HA3 GLY A 19 -17.737 -3.134 8.600 1.00 24.21 H new ATOM 252 N GLY A 20 -15.919 -1.332 10.423 1.00 51.23 N ATOM 253 CA GLY A 20 -15.894 -0.280 11.423 1.00 62.13 C ATOM 254 C GLY A 20 -16.522 1.007 10.928 1.00 24.02 C ATOM 255 O GLY A 20 -16.391 1.359 9.755 1.00 20.23 O ATOM 0 H GLY A 20 -15.099 -1.368 9.818 1.00 51.23 H new ATOM 0 HA2 GLY A 20 -16.422 -0.618 12.315 1.00 62.13 H new ATOM 0 HA3 GLY A 20 -14.862 -0.087 11.717 1.00 62.13 H new ATOM 259 N SER A 21 -17.209 1.712 11.821 1.00 54.22 N ATOM 260 CA SER A 21 -17.865 2.965 11.466 1.00 63.42 C ATOM 261 C SER A 21 -17.799 3.959 12.622 1.00 61.40 C ATOM 262 O SER A 21 -18.632 3.931 13.527 1.00 63.33 O ATOM 263 CB SER A 21 -19.323 2.709 11.081 1.00 41.43 C ATOM 264 OG SER A 21 -19.437 2.374 9.709 1.00 51.43 O ATOM 0 H SER A 21 -17.326 1.437 12.796 1.00 54.22 H new ATOM 0 HA SER A 21 -17.340 3.393 10.612 1.00 63.42 H new ATOM 0 HB2 SER A 21 -19.727 1.901 11.691 1.00 41.43 H new ATOM 0 HB3 SER A 21 -19.919 3.596 11.293 1.00 41.43 H new ATOM 0 HG SER A 21 -19.269 1.416 9.591 1.00 51.43 H new ATOM 270 N TRP A 22 -16.803 4.835 12.583 1.00 53.24 N ATOM 271 CA TRP A 22 -16.626 5.840 13.627 1.00 25.32 C ATOM 272 C TRP A 22 -17.375 7.122 13.280 1.00 50.20 C ATOM 273 O TRP A 22 -17.280 7.626 12.160 1.00 14.23 O ATOM 274 CB TRP A 22 -15.140 6.140 13.828 1.00 32.41 C ATOM 275 CG TRP A 22 -14.359 4.964 14.332 1.00 44.12 C ATOM 276 CD1 TRP A 22 -13.613 4.095 13.587 1.00 63.34 C ATOM 277 CD2 TRP A 22 -14.250 4.528 15.692 1.00 13.02 C ATOM 278 NE1 TRP A 22 -13.047 3.144 14.403 1.00 42.54 N ATOM 279 CE2 TRP A 22 -13.421 3.389 15.698 1.00 12.22 C ATOM 280 CE3 TRP A 22 -14.769 4.989 16.904 1.00 71.24 C ATOM 281 CZ2 TRP A 22 -13.102 2.706 16.869 1.00 40.41 C ATOM 282 CZ3 TRP A 22 -14.452 4.310 18.065 1.00 70.32 C ATOM 283 CH2 TRP A 22 -13.624 3.179 18.042 1.00 43.54 C ATOM 0 H TRP A 22 -16.105 4.871 11.840 1.00 53.24 H new ATOM 0 HA TRP A 22 -17.037 5.441 14.555 1.00 25.32 H new ATOM 0 HB2 TRP A 22 -14.713 6.472 12.882 1.00 32.41 H new ATOM 0 HB3 TRP A 22 -15.035 6.965 14.532 1.00 32.41 H new ATOM 0 HD1 TRP A 22 -13.487 4.147 12.516 1.00 63.34 H new ATOM 0 HE1 TRP A 22 -12.446 2.380 14.094 1.00 42.54 H new ATOM 0 HE3 TRP A 22 -15.406 5.860 16.933 1.00 71.24 H new ATOM 0 HZ2 TRP A 22 -12.465 1.834 16.852 1.00 40.41 H new ATOM 0 HZ3 TRP A 22 -14.849 4.657 19.007 1.00 70.32 H new ATOM 0 HH2 TRP A 22 -13.394 2.672 18.967 1.00 43.54 H new ATOM 294 N THR A 23 -18.120 7.647 14.247 1.00 74.05 N ATOM 295 CA THR A 23 -18.885 8.871 14.044 1.00 33.30 C ATOM 296 C THR A 23 -18.300 10.025 14.850 1.00 43.12 C ATOM 297 O THR A 23 -18.266 9.982 16.080 1.00 72.40 O ATOM 298 CB THR A 23 -20.362 8.681 14.437 1.00 22.11 C ATOM 299 OG1 THR A 23 -20.956 7.659 13.630 1.00 34.33 O ATOM 300 CG2 THR A 23 -21.137 9.980 14.270 1.00 33.01 C ATOM 0 H THR A 23 -18.210 7.243 15.179 1.00 74.05 H new ATOM 0 HA THR A 23 -18.827 9.108 12.982 1.00 33.30 H new ATOM 0 HB THR A 23 -20.401 8.384 15.485 1.00 22.11 H new ATOM 0 HG1 THR A 23 -21.894 7.543 13.887 1.00 34.33 H new ATOM 0 HG21 THR A 23 -22.178 9.822 14.553 1.00 33.01 H new ATOM 0 HG22 THR A 23 -20.700 10.749 14.907 1.00 33.01 H new ATOM 0 HG23 THR A 23 -21.089 10.301 13.229 1.00 33.01 H new ATOM 308 N VAL A 24 -17.842 11.058 14.150 1.00 22.24 N ATOM 309 CA VAL A 24 -17.261 12.225 14.801 1.00 50.34 C ATOM 310 C VAL A 24 -18.151 13.451 14.629 1.00 64.33 C ATOM 311 O VAL A 24 -18.604 13.754 13.525 1.00 23.03 O ATOM 312 CB VAL A 24 -15.860 12.541 14.243 1.00 24.25 C ATOM 313 CG1 VAL A 24 -15.180 13.613 15.080 1.00 42.00 C ATOM 314 CG2 VAL A 24 -15.014 11.278 14.188 1.00 13.44 C ATOM 0 H VAL A 24 -17.862 11.110 13.132 1.00 22.24 H new ATOM 0 HA VAL A 24 -17.177 11.985 15.861 1.00 50.34 H new ATOM 0 HB VAL A 24 -15.969 12.924 13.228 1.00 24.25 H new ATOM 0 HG11 VAL A 24 -14.192 13.822 14.670 1.00 42.00 H new ATOM 0 HG12 VAL A 24 -15.780 14.523 15.063 1.00 42.00 H new ATOM 0 HG13 VAL A 24 -15.080 13.263 16.108 1.00 42.00 H new ATOM 0 HG21 VAL A 24 -14.027 11.518 13.792 1.00 13.44 H new ATOM 0 HG22 VAL A 24 -14.911 10.865 15.191 1.00 13.44 H new ATOM 0 HG23 VAL A 24 -15.496 10.545 13.541 1.00 13.44 H new ATOM 324 N LYS A 25 -18.400 14.154 15.730 1.00 34.24 N ATOM 325 CA LYS A 25 -19.235 15.349 15.702 1.00 31.43 C ATOM 326 C LYS A 25 -18.634 16.452 16.567 1.00 30.03 C ATOM 327 O LYS A 25 -18.167 16.199 17.676 1.00 52.03 O ATOM 328 CB LYS A 25 -20.649 15.018 16.188 1.00 54.51 C ATOM 329 CG LYS A 25 -21.634 16.161 16.013 1.00 23.34 C ATOM 330 CD LYS A 25 -23.003 15.655 15.587 1.00 40.44 C ATOM 331 CE LYS A 25 -23.940 15.515 16.777 1.00 14.54 C ATOM 332 NZ LYS A 25 -24.859 14.354 16.624 1.00 4.13 N ATOM 0 H LYS A 25 -18.035 13.916 16.652 1.00 34.24 H new ATOM 0 HA LYS A 25 -19.284 15.705 14.673 1.00 31.43 H new ATOM 0 HB2 LYS A 25 -21.016 14.147 15.646 1.00 54.51 H new ATOM 0 HB3 LYS A 25 -20.607 14.743 17.242 1.00 54.51 H new ATOM 0 HG2 LYS A 25 -21.724 16.712 16.949 1.00 23.34 H new ATOM 0 HG3 LYS A 25 -21.254 16.859 15.267 1.00 23.34 H new ATOM 0 HD2 LYS A 25 -23.436 16.342 14.860 1.00 40.44 H new ATOM 0 HD3 LYS A 25 -22.897 14.691 15.090 1.00 40.44 H new ATOM 0 HE2 LYS A 25 -23.354 15.397 17.689 1.00 14.54 H new ATOM 0 HE3 LYS A 25 -24.524 16.428 16.889 1.00 14.54 H new ATOM 0 HZ1 LYS A 25 -25.482 14.292 17.455 1.00 4.13 H new ATOM 0 HZ2 LYS A 25 -25.436 14.478 15.768 1.00 4.13 H new ATOM 0 HZ3 LYS A 25 -24.303 13.479 16.543 1.00 4.13 H new ATOM 346 N ASN A 26 -18.652 17.677 16.050 1.00 52.04 N ATOM 347 CA ASN A 26 -18.109 18.820 16.776 1.00 35.23 C ATOM 348 C ASN A 26 -19.186 19.872 17.017 1.00 42.45 C ATOM 349 O ASN A 26 -19.973 20.189 16.125 1.00 11.45 O ATOM 350 CB ASN A 26 -16.942 19.436 16.000 1.00 70.00 C ATOM 351 CG ASN A 26 -17.148 19.369 14.499 1.00 75.41 C ATOM 352 OD1 ASN A 26 -17.716 20.280 13.898 1.00 41.25 O ATOM 353 ND2 ASN A 26 -16.683 18.286 13.887 1.00 1.14 N ATOM 0 H ASN A 26 -19.036 17.903 15.133 1.00 52.04 H new ATOM 0 HA ASN A 26 -17.748 18.467 17.742 1.00 35.23 H new ATOM 0 HB2 ASN A 26 -16.818 20.476 16.301 1.00 70.00 H new ATOM 0 HB3 ASN A 26 -16.020 18.916 16.261 1.00 70.00 H new ATOM 0 HD21 ASN A 26 -16.790 18.185 12.878 1.00 1.14 H new ATOM 0 HD22 ASN A 26 -16.218 17.555 14.426 1.00 1.14 H new ATOM 360 N THR A 27 -19.216 20.414 18.231 1.00 13.00 N ATOM 361 CA THR A 27 -20.196 21.430 18.591 1.00 70.14 C ATOM 362 C THR A 27 -19.834 22.101 19.911 1.00 74.50 C ATOM 363 O THR A 27 -19.037 21.575 20.687 1.00 42.44 O ATOM 364 CB THR A 27 -21.611 20.830 18.705 1.00 43.34 C ATOM 365 OG1 THR A 27 -21.528 19.423 18.948 1.00 31.30 O ATOM 366 CG2 THR A 27 -22.409 21.085 17.435 1.00 63.13 C ATOM 0 H THR A 27 -18.572 20.165 18.982 1.00 13.00 H new ATOM 0 HA THR A 27 -20.187 22.174 17.794 1.00 70.14 H new ATOM 0 HB THR A 27 -22.121 21.312 19.539 1.00 43.34 H new ATOM 0 HG1 THR A 27 -22.431 19.050 19.021 1.00 31.30 H new ATOM 0 HG21 THR A 27 -23.404 20.653 17.538 1.00 63.13 H new ATOM 0 HG22 THR A 27 -22.495 22.159 17.269 1.00 63.13 H new ATOM 0 HG23 THR A 27 -21.900 20.626 16.587 1.00 63.13 H new ATOM 374 N GLY A 28 -20.425 23.266 20.160 1.00 10.23 N ATOM 375 CA GLY A 28 -20.151 23.990 21.387 1.00 32.40 C ATOM 376 C GLY A 28 -19.108 25.074 21.201 1.00 22.22 C ATOM 377 O GLY A 28 -19.420 26.175 20.745 1.00 31.41 O ATOM 0 H GLY A 28 -21.089 23.721 19.533 1.00 10.23 H new ATOM 0 HA2 GLY A 28 -21.074 24.438 21.755 1.00 32.40 H new ATOM 0 HA3 GLY A 28 -19.811 23.290 22.150 1.00 32.40 H new ATOM 381 N THR A 29 -17.865 24.765 21.557 1.00 21.33 N ATOM 382 CA THR A 29 -16.774 25.722 21.430 1.00 60.10 C ATOM 383 C THR A 29 -16.648 26.225 19.996 1.00 45.42 C ATOM 384 O THR A 29 -17.296 25.708 19.086 1.00 32.54 O ATOM 385 CB THR A 29 -15.431 25.105 21.865 1.00 11.13 C ATOM 386 OG1 THR A 29 -15.310 23.777 21.341 1.00 63.10 O ATOM 387 CG2 THR A 29 -15.318 25.070 23.381 1.00 0.21 C ATOM 0 H THR A 29 -17.589 23.859 21.936 1.00 21.33 H new ATOM 0 HA THR A 29 -17.010 26.559 22.087 1.00 60.10 H new ATOM 0 HB THR A 29 -14.626 25.725 21.471 1.00 11.13 H new ATOM 0 HG1 THR A 29 -14.453 23.392 21.620 1.00 63.10 H new ATOM 0 HG21 THR A 29 -14.362 24.630 23.665 1.00 0.21 H new ATOM 0 HG22 THR A 29 -15.382 26.085 23.774 1.00 0.21 H new ATOM 0 HG23 THR A 29 -16.129 24.470 23.793 1.00 0.21 H new ATOM 395 N THR A 30 -15.809 27.239 19.801 1.00 23.32 N ATOM 396 CA THR A 30 -15.599 27.812 18.478 1.00 21.02 C ATOM 397 C THR A 30 -15.080 26.764 17.500 1.00 23.42 C ATOM 398 O THR A 30 -14.969 25.586 17.840 1.00 4.34 O ATOM 399 CB THR A 30 -14.606 28.988 18.526 1.00 32.21 C ATOM 400 OG1 THR A 30 -13.308 28.518 18.907 1.00 21.02 O ATOM 401 CG2 THR A 30 -15.074 30.052 19.509 1.00 20.44 C ATOM 0 H THR A 30 -15.265 27.679 20.543 1.00 23.32 H new ATOM 0 HA THR A 30 -16.567 28.177 18.135 1.00 21.02 H new ATOM 0 HB THR A 30 -14.554 29.432 17.532 1.00 32.21 H new ATOM 0 HG1 THR A 30 -12.682 29.272 18.934 1.00 21.02 H new ATOM 0 HG21 THR A 30 -14.357 30.873 19.526 1.00 20.44 H new ATOM 0 HG22 THR A 30 -16.049 30.429 19.200 1.00 20.44 H new ATOM 0 HG23 THR A 30 -15.152 29.618 20.506 1.00 20.44 H new ATOM 409 N SER A 31 -14.763 27.199 16.285 1.00 63.42 N ATOM 410 CA SER A 31 -14.259 26.298 15.256 1.00 33.40 C ATOM 411 C SER A 31 -13.091 25.471 15.785 1.00 32.12 C ATOM 412 O SER A 31 -12.281 25.954 16.578 1.00 61.04 O ATOM 413 CB SER A 31 -13.821 27.090 14.023 1.00 71.43 C ATOM 414 OG SER A 31 -12.677 26.507 13.422 1.00 63.31 O ATOM 0 H SER A 31 -14.847 28.172 15.989 1.00 63.42 H new ATOM 0 HA SER A 31 -15.065 25.620 14.975 1.00 33.40 H new ATOM 0 HB2 SER A 31 -14.637 27.125 13.301 1.00 71.43 H new ATOM 0 HB3 SER A 31 -13.602 28.119 14.307 1.00 71.43 H new ATOM 0 HG SER A 31 -12.958 25.833 12.768 1.00 63.31 H new ATOM 420 N LEU A 32 -13.008 24.222 15.340 1.00 23.24 N ATOM 421 CA LEU A 32 -11.940 23.326 15.767 1.00 71.00 C ATOM 422 C LEU A 32 -10.687 23.531 14.922 1.00 74.11 C ATOM 423 O LEU A 32 -10.632 24.431 14.084 1.00 52.02 O ATOM 424 CB LEU A 32 -12.400 21.870 15.672 1.00 73.43 C ATOM 425 CG LEU A 32 -13.821 21.582 16.157 1.00 71.14 C ATOM 426 CD1 LEU A 32 -14.789 21.556 14.984 1.00 34.21 C ATOM 427 CD2 LEU A 32 -13.868 20.266 16.920 1.00 4.41 C ATOM 0 H LEU A 32 -13.668 23.807 14.683 1.00 23.24 H new ATOM 0 HA LEU A 32 -11.698 23.557 16.804 1.00 71.00 H new ATOM 0 HB2 LEU A 32 -12.321 21.552 14.632 1.00 73.43 H new ATOM 0 HB3 LEU A 32 -11.709 21.253 16.247 1.00 73.43 H new ATOM 0 HG LEU A 32 -14.123 22.381 16.834 1.00 71.14 H new ATOM 0 HD11 LEU A 32 -15.796 21.350 15.348 1.00 34.21 H new ATOM 0 HD12 LEU A 32 -14.776 22.522 14.480 1.00 34.21 H new ATOM 0 HD13 LEU A 32 -14.490 20.777 14.283 1.00 34.21 H new ATOM 0 HD21 LEU A 32 -14.887 20.077 17.258 1.00 4.41 H new ATOM 0 HD22 LEU A 32 -13.546 19.455 16.267 1.00 4.41 H new ATOM 0 HD23 LEU A 32 -13.204 20.322 17.783 1.00 4.41 H new ATOM 439 N SER A 33 -9.682 22.690 15.148 1.00 3.04 N ATOM 440 CA SER A 33 -8.429 22.780 14.408 1.00 31.42 C ATOM 441 C SER A 33 -8.201 21.524 13.571 1.00 51.24 C ATOM 442 O SER A 33 -7.534 21.567 12.537 1.00 43.42 O ATOM 443 CB SER A 33 -7.258 22.985 15.370 1.00 74.25 C ATOM 444 OG SER A 33 -6.967 24.363 15.533 1.00 20.22 O ATOM 0 H SER A 33 -9.712 21.939 15.838 1.00 3.04 H new ATOM 0 HA SER A 33 -8.493 23.636 13.737 1.00 31.42 H new ATOM 0 HB2 SER A 33 -7.497 22.544 16.338 1.00 74.25 H new ATOM 0 HB3 SER A 33 -6.377 22.466 14.991 1.00 74.25 H new ATOM 0 HG SER A 33 -6.216 24.468 16.154 1.00 20.22 H new ATOM 450 N SER A 34 -8.758 20.408 14.028 1.00 30.33 N ATOM 451 CA SER A 34 -8.613 19.138 13.325 1.00 53.00 C ATOM 452 C SER A 34 -9.324 18.017 14.075 1.00 1.02 C ATOM 453 O SER A 34 -9.517 18.092 15.289 1.00 52.22 O ATOM 454 CB SER A 34 -7.131 18.793 13.153 1.00 62.51 C ATOM 455 OG SER A 34 -6.937 17.390 13.109 1.00 74.52 O ATOM 0 H SER A 34 -9.314 20.357 14.882 1.00 30.33 H new ATOM 0 HA SER A 34 -9.072 19.241 12.342 1.00 53.00 H new ATOM 0 HB2 SER A 34 -6.753 19.245 12.236 1.00 62.51 H new ATOM 0 HB3 SER A 34 -6.557 19.217 13.977 1.00 62.51 H new ATOM 0 HG SER A 34 -5.983 17.195 12.997 1.00 74.52 H new ATOM 461 N TRP A 35 -9.713 16.979 13.344 1.00 15.01 N ATOM 462 CA TRP A 35 -10.404 15.840 13.940 1.00 41.30 C ATOM 463 C TRP A 35 -9.680 14.537 13.622 1.00 32.33 C ATOM 464 O TRP A 35 -9.364 14.255 12.465 1.00 62.32 O ATOM 465 CB TRP A 35 -11.847 15.773 13.436 1.00 35.11 C ATOM 466 CG TRP A 35 -11.951 15.451 11.976 1.00 1.05 C ATOM 467 CD1 TRP A 35 -12.005 16.341 10.942 1.00 53.42 C ATOM 468 CD2 TRP A 35 -12.017 14.147 11.388 1.00 34.52 C ATOM 469 NE1 TRP A 35 -12.099 15.669 9.747 1.00 61.21 N ATOM 470 CE2 TRP A 35 -12.108 14.322 9.994 1.00 13.22 C ATOM 471 CE3 TRP A 35 -12.005 12.848 11.904 1.00 25.20 C ATOM 472 CZ2 TRP A 35 -12.188 13.247 9.113 1.00 4.50 C ATOM 473 CZ3 TRP A 35 -12.085 11.783 11.029 1.00 1.35 C ATOM 474 CH2 TRP A 35 -12.176 11.987 9.645 1.00 75.11 C ATOM 0 H TRP A 35 -9.562 16.902 12.338 1.00 15.01 H new ATOM 0 HA TRP A 35 -10.410 15.975 15.022 1.00 41.30 H new ATOM 0 HB2 TRP A 35 -12.389 15.019 14.007 1.00 35.11 H new ATOM 0 HB3 TRP A 35 -12.336 16.729 13.626 1.00 35.11 H new ATOM 0 HD1 TRP A 35 -11.978 17.415 11.048 1.00 53.42 H new ATOM 0 HE1 TRP A 35 -12.153 16.103 8.826 1.00 61.21 H new ATOM 0 HE3 TRP A 35 -11.934 12.680 12.969 1.00 25.20 H new ATOM 0 HZ2 TRP A 35 -12.257 13.403 8.047 1.00 4.50 H new ATOM 0 HZ3 TRP A 35 -12.077 10.775 11.417 1.00 1.35 H new ATOM 0 HH2 TRP A 35 -12.238 11.133 8.987 1.00 75.11 H new ATOM 485 N THR A 36 -9.417 13.743 14.656 1.00 63.11 N ATOM 486 CA THR A 36 -8.730 12.470 14.486 1.00 74.34 C ATOM 487 C THR A 36 -9.123 11.482 15.579 1.00 63.45 C ATOM 488 O THR A 36 -8.951 11.755 16.768 1.00 0.40 O ATOM 489 CB THR A 36 -7.200 12.651 14.502 1.00 73.10 C ATOM 490 OG1 THR A 36 -6.807 13.575 13.481 1.00 42.11 O ATOM 491 CG2 THR A 36 -6.495 11.320 14.286 1.00 61.42 C ATOM 0 H THR A 36 -9.670 13.960 15.620 1.00 63.11 H new ATOM 0 HA THR A 36 -9.033 12.075 13.516 1.00 74.34 H new ATOM 0 HB THR A 36 -6.912 13.042 15.478 1.00 73.10 H new ATOM 0 HG1 THR A 36 -5.834 13.687 13.498 1.00 42.11 H new ATOM 0 HG21 THR A 36 -5.416 11.473 14.301 1.00 61.42 H new ATOM 0 HG22 THR A 36 -6.774 10.627 15.080 1.00 61.42 H new ATOM 0 HG23 THR A 36 -6.789 10.905 13.322 1.00 61.42 H new ATOM 499 N VAL A 37 -9.653 10.334 15.171 1.00 74.10 N ATOM 500 CA VAL A 37 -10.069 9.305 16.115 1.00 74.31 C ATOM 501 C VAL A 37 -9.040 8.182 16.195 1.00 5.41 C ATOM 502 O VAL A 37 -8.871 7.415 15.248 1.00 53.51 O ATOM 503 CB VAL A 37 -11.436 8.708 15.729 1.00 73.32 C ATOM 504 CG1 VAL A 37 -11.988 7.860 16.865 1.00 62.34 C ATOM 505 CG2 VAL A 37 -12.411 9.812 15.353 1.00 1.12 C ATOM 0 H VAL A 37 -9.805 10.093 14.191 1.00 74.10 H new ATOM 0 HA VAL A 37 -10.153 9.786 17.090 1.00 74.31 H new ATOM 0 HB VAL A 37 -11.300 8.064 14.860 1.00 73.32 H new ATOM 0 HG11 VAL A 37 -12.954 7.447 16.574 1.00 62.34 H new ATOM 0 HG12 VAL A 37 -11.295 7.047 17.082 1.00 62.34 H new ATOM 0 HG13 VAL A 37 -12.111 8.478 17.754 1.00 62.34 H new ATOM 0 HG21 VAL A 37 -13.371 9.373 15.083 1.00 1.12 H new ATOM 0 HG22 VAL A 37 -12.545 10.484 16.201 1.00 1.12 H new ATOM 0 HG23 VAL A 37 -12.017 10.372 14.505 1.00 1.12 H new ATOM 515 N GLU A 38 -8.357 8.092 17.331 1.00 21.02 N ATOM 516 CA GLU A 38 -7.344 7.063 17.533 1.00 12.11 C ATOM 517 C GLU A 38 -7.730 6.138 18.685 1.00 21.12 C ATOM 518 O GLU A 38 -8.441 6.540 19.605 1.00 24.11 O ATOM 519 CB GLU A 38 -5.983 7.703 17.813 1.00 33.25 C ATOM 520 CG GLU A 38 -5.712 8.945 16.981 1.00 1.00 C ATOM 521 CD GLU A 38 -6.113 10.223 17.693 1.00 61.10 C ATOM 522 OE1 GLU A 38 -7.018 10.165 18.552 1.00 15.12 O ATOM 523 OE2 GLU A 38 -5.523 11.281 17.391 1.00 13.10 O ATOM 0 H GLU A 38 -8.486 8.719 18.125 1.00 21.02 H new ATOM 0 HA GLU A 38 -7.278 6.471 16.620 1.00 12.11 H new ATOM 0 HB2 GLU A 38 -5.924 7.964 18.870 1.00 33.25 H new ATOM 0 HB3 GLU A 38 -5.200 6.970 17.622 1.00 33.25 H new ATOM 0 HG2 GLU A 38 -4.651 8.988 16.735 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -6.255 8.872 16.039 1.00 1.00 H new ATOM 530 N TRP A 39 -7.255 4.899 18.624 1.00 63.14 N ATOM 531 CA TRP A 39 -7.551 3.917 19.661 1.00 73.31 C ATOM 532 C TRP A 39 -6.444 2.872 19.753 1.00 62.21 C ATOM 533 O TRP A 39 -5.557 2.818 18.901 1.00 2.24 O ATOM 534 CB TRP A 39 -8.890 3.235 19.380 1.00 45.11 C ATOM 535 CG TRP A 39 -9.565 3.739 18.139 1.00 72.24 C ATOM 536 CD1 TRP A 39 -10.636 4.584 18.075 1.00 54.51 C ATOM 537 CD2 TRP A 39 -9.213 3.427 16.787 1.00 45.04 C ATOM 538 NE1 TRP A 39 -10.971 4.816 16.763 1.00 41.12 N ATOM 539 CE2 TRP A 39 -10.113 4.119 15.953 1.00 64.20 C ATOM 540 CE3 TRP A 39 -8.225 2.633 16.200 1.00 3.34 C ATOM 541 CZ2 TRP A 39 -10.054 4.038 14.565 1.00 14.40 C ATOM 542 CZ3 TRP A 39 -8.168 2.554 14.821 1.00 12.11 C ATOM 543 CH2 TRP A 39 -9.077 3.253 14.016 1.00 54.45 C ATOM 0 H TRP A 39 -6.664 4.551 17.869 1.00 63.14 H new ATOM 0 HA TRP A 39 -7.611 4.441 20.615 1.00 73.31 H new ATOM 0 HB2 TRP A 39 -8.730 2.161 19.287 1.00 45.11 H new ATOM 0 HB3 TRP A 39 -9.553 3.386 20.232 1.00 45.11 H new ATOM 0 HD1 TRP A 39 -11.144 5.007 18.929 1.00 54.51 H new ATOM 0 HE1 TRP A 39 -11.735 5.411 16.443 1.00 41.12 H new ATOM 0 HE3 TRP A 39 -7.519 2.091 16.812 1.00 3.34 H new ATOM 0 HZ2 TRP A 39 -10.755 4.576 13.943 1.00 14.40 H new ATOM 0 HZ3 TRP A 39 -7.409 1.942 14.356 1.00 12.11 H new ATOM 0 HH2 TRP A 39 -9.005 3.171 12.942 1.00 54.45 H new ATOM 554 N ASP A 40 -6.502 2.045 20.791 1.00 14.44 N ATOM 555 CA ASP A 40 -5.504 1.000 20.992 1.00 23.04 C ATOM 556 C ASP A 40 -6.011 -0.343 20.474 1.00 42.13 C ATOM 557 O ASP A 40 -7.132 -0.752 20.774 1.00 65.12 O ATOM 558 CB ASP A 40 -5.146 0.887 22.474 1.00 74.32 C ATOM 559 CG ASP A 40 -6.148 0.055 23.250 1.00 51.00 C ATOM 560 OD1 ASP A 40 -7.363 0.314 23.118 1.00 32.05 O ATOM 561 OD2 ASP A 40 -5.718 -0.855 23.989 1.00 3.01 O ATOM 0 H ASP A 40 -7.229 2.078 21.506 1.00 14.44 H new ATOM 0 HA ASP A 40 -4.611 1.271 20.430 1.00 23.04 H new ATOM 0 HB2 ASP A 40 -4.156 0.443 22.573 1.00 74.32 H new ATOM 0 HB3 ASP A 40 -5.093 1.885 22.909 1.00 74.32 H new ATOM 566 N PHE A 41 -5.178 -1.023 19.694 1.00 15.41 N ATOM 567 CA PHE A 41 -5.542 -2.318 19.132 1.00 74.03 C ATOM 568 C PHE A 41 -4.668 -3.427 19.712 1.00 2.33 C ATOM 569 O PHE A 41 -3.772 -3.955 19.053 1.00 4.53 O ATOM 570 CB PHE A 41 -5.408 -2.293 17.608 1.00 64.42 C ATOM 571 CG PHE A 41 -6.685 -1.939 16.901 1.00 24.22 C ATOM 572 CD1 PHE A 41 -7.591 -1.062 17.475 1.00 42.33 C ATOM 573 CD2 PHE A 41 -6.981 -2.484 15.661 1.00 34.20 C ATOM 574 CE1 PHE A 41 -8.767 -0.735 16.827 1.00 65.31 C ATOM 575 CE2 PHE A 41 -8.155 -2.161 15.008 1.00 62.23 C ATOM 576 CZ PHE A 41 -9.049 -1.285 15.591 1.00 43.31 C ATOM 0 H PHE A 41 -4.246 -0.699 19.437 1.00 15.41 H new ATOM 0 HA PHE A 41 -6.580 -2.521 19.395 1.00 74.03 H new ATOM 0 HB2 PHE A 41 -4.637 -1.574 17.331 1.00 64.42 H new ATOM 0 HB3 PHE A 41 -5.071 -3.271 17.265 1.00 64.42 H new ATOM 0 HD1 PHE A 41 -7.376 -0.629 18.441 1.00 42.33 H new ATOM 0 HD2 PHE A 41 -6.285 -3.169 15.200 1.00 34.20 H new ATOM 0 HE1 PHE A 41 -9.465 -0.050 17.286 1.00 65.31 H new ATOM 0 HE2 PHE A 41 -8.373 -2.593 14.043 1.00 62.23 H new ATOM 0 HZ PHE A 41 -9.967 -1.030 15.082 1.00 43.31 H new ATOM 586 N PRO A 42 -4.934 -3.789 20.975 1.00 33.51 N ATOM 587 CA PRO A 42 -4.184 -4.839 21.673 1.00 43.33 C ATOM 588 C PRO A 42 -4.471 -6.226 21.112 1.00 5.24 C ATOM 589 O PRO A 42 -3.551 -6.987 20.805 1.00 63.13 O ATOM 590 CB PRO A 42 -4.683 -4.731 23.116 1.00 70.33 C ATOM 591 CG PRO A 42 -6.041 -4.130 23.003 1.00 23.51 C ATOM 592 CD PRO A 42 -5.988 -3.203 21.821 1.00 54.04 C ATOM 0 HA PRO A 42 -3.107 -4.709 21.569 1.00 43.33 H new ATOM 0 HB2 PRO A 42 -4.722 -5.709 23.596 1.00 70.33 H new ATOM 0 HB3 PRO A 42 -4.023 -4.107 23.718 1.00 70.33 H new ATOM 0 HG2 PRO A 42 -6.798 -4.901 22.860 1.00 23.51 H new ATOM 0 HG3 PRO A 42 -6.305 -3.589 23.912 1.00 23.51 H new ATOM 0 HD2 PRO A 42 -6.945 -3.161 21.300 1.00 54.04 H new ATOM 0 HD3 PRO A 42 -5.743 -2.184 22.120 1.00 54.04 H new ATOM 600 N THR A 43 -5.753 -6.552 20.977 1.00 15.12 N ATOM 601 CA THR A 43 -6.161 -7.850 20.453 1.00 74.52 C ATOM 602 C THR A 43 -5.939 -7.929 18.947 1.00 64.01 C ATOM 603 O THR A 43 -6.085 -6.936 18.235 1.00 75.23 O ATOM 604 CB THR A 43 -7.643 -8.138 20.758 1.00 1.02 C ATOM 605 OG1 THR A 43 -8.467 -7.111 20.195 1.00 22.35 O ATOM 606 CG2 THR A 43 -7.880 -8.221 22.258 1.00 63.10 C ATOM 0 H THR A 43 -6.527 -5.935 21.223 1.00 15.12 H new ATOM 0 HA THR A 43 -5.544 -8.599 20.948 1.00 74.52 H new ATOM 0 HB THR A 43 -7.904 -9.098 20.312 1.00 1.02 H new ATOM 0 HG1 THR A 43 -9.408 -7.302 20.392 1.00 22.35 H new ATOM 0 HG21 THR A 43 -8.934 -8.425 22.449 1.00 63.10 H new ATOM 0 HG22 THR A 43 -7.273 -9.023 22.678 1.00 63.10 H new ATOM 0 HG23 THR A 43 -7.604 -7.275 22.723 1.00 63.10 H new ATOM 614 N GLY A 44 -5.586 -9.117 18.467 1.00 23.22 N ATOM 615 CA GLY A 44 -5.351 -9.303 17.047 1.00 24.33 C ATOM 616 C GLY A 44 -6.328 -8.523 16.190 1.00 12.13 C ATOM 617 O GLY A 44 -7.458 -8.960 15.968 1.00 10.42 O ATOM 0 H GLY A 44 -5.459 -9.954 19.036 1.00 23.22 H new ATOM 0 HA2 GLY A 44 -4.334 -8.993 16.807 1.00 24.33 H new ATOM 0 HA3 GLY A 44 -5.427 -10.363 16.805 1.00 24.33 H new ATOM 621 N THR A 45 -5.894 -7.363 15.708 1.00 2.21 N ATOM 622 CA THR A 45 -6.739 -6.519 14.873 1.00 10.40 C ATOM 623 C THR A 45 -5.900 -5.621 13.971 1.00 51.24 C ATOM 624 O THR A 45 -4.752 -5.304 14.288 1.00 12.02 O ATOM 625 CB THR A 45 -7.674 -5.640 15.726 1.00 55.15 C ATOM 626 OG1 THR A 45 -6.949 -5.080 16.826 1.00 45.03 O ATOM 627 CG2 THR A 45 -8.851 -6.450 16.247 1.00 35.30 C ATOM 0 H THR A 45 -4.962 -6.987 15.882 1.00 2.21 H new ATOM 0 HA THR A 45 -7.341 -7.187 14.257 1.00 10.40 H new ATOM 0 HB THR A 45 -8.057 -4.837 15.097 1.00 55.15 H new ATOM 0 HG1 THR A 45 -6.988 -4.102 16.780 1.00 45.03 H new ATOM 0 HG21 THR A 45 -9.497 -5.809 16.846 1.00 35.30 H new ATOM 0 HG22 THR A 45 -9.417 -6.851 15.406 1.00 35.30 H new ATOM 0 HG23 THR A 45 -8.484 -7.271 16.862 1.00 35.30 H new ATOM 635 N LYS A 46 -6.477 -5.212 12.847 1.00 5.13 N ATOM 636 CA LYS A 46 -5.784 -4.348 11.899 1.00 33.13 C ATOM 637 C LYS A 46 -6.720 -3.907 10.779 1.00 0.43 C ATOM 638 O LYS A 46 -7.411 -4.728 10.175 1.00 64.23 O ATOM 639 CB LYS A 46 -4.571 -5.074 11.310 1.00 50.15 C ATOM 640 CG LYS A 46 -4.896 -6.450 10.757 1.00 74.34 C ATOM 641 CD LYS A 46 -4.055 -7.529 11.419 1.00 71.23 C ATOM 642 CE LYS A 46 -2.617 -7.499 10.922 1.00 24.34 C ATOM 643 NZ LYS A 46 -2.448 -8.289 9.671 1.00 53.24 N ATOM 0 H LYS A 46 -7.425 -5.466 12.570 1.00 5.13 H new ATOM 0 HA LYS A 46 -5.445 -3.461 12.434 1.00 33.13 H new ATOM 0 HB2 LYS A 46 -4.144 -4.464 10.515 1.00 50.15 H new ATOM 0 HB3 LYS A 46 -3.807 -5.173 12.081 1.00 50.15 H new ATOM 0 HG2 LYS A 46 -5.953 -6.665 10.912 1.00 74.34 H new ATOM 0 HG3 LYS A 46 -4.723 -6.461 9.681 1.00 74.34 H new ATOM 0 HD2 LYS A 46 -4.070 -7.391 12.500 1.00 71.23 H new ATOM 0 HD3 LYS A 46 -4.491 -8.507 11.216 1.00 71.23 H new ATOM 0 HE2 LYS A 46 -2.315 -6.467 10.744 1.00 24.34 H new ATOM 0 HE3 LYS A 46 -1.957 -7.895 11.694 1.00 24.34 H new ATOM 0 HZ1 LYS A 46 -1.455 -8.244 9.364 1.00 53.24 H new ATOM 0 HZ2 LYS A 46 -2.712 -9.279 9.848 1.00 53.24 H new ATOM 0 HZ3 LYS A 46 -3.059 -7.896 8.927 1.00 53.24 H new ATOM 657 N VAL A 47 -6.735 -2.607 10.504 1.00 50.41 N ATOM 658 CA VAL A 47 -7.585 -2.057 9.454 1.00 14.31 C ATOM 659 C VAL A 47 -7.007 -2.346 8.073 1.00 21.43 C ATOM 660 O VAL A 47 -6.035 -1.721 7.650 1.00 11.15 O ATOM 661 CB VAL A 47 -7.762 -0.536 9.615 1.00 65.13 C ATOM 662 CG1 VAL A 47 -8.569 0.032 8.457 1.00 43.31 C ATOM 663 CG2 VAL A 47 -8.426 -0.215 10.946 1.00 13.13 C ATOM 0 H VAL A 47 -6.168 -1.915 10.994 1.00 50.41 H new ATOM 0 HA VAL A 47 -8.557 -2.541 9.547 1.00 14.31 H new ATOM 0 HB VAL A 47 -6.777 -0.069 9.605 1.00 65.13 H new ATOM 0 HG11 VAL A 47 -8.684 1.108 8.587 1.00 43.31 H new ATOM 0 HG12 VAL A 47 -8.049 -0.167 7.520 1.00 43.31 H new ATOM 0 HG13 VAL A 47 -9.552 -0.438 8.434 1.00 43.31 H new ATOM 0 HG21 VAL A 47 -8.543 0.864 11.043 1.00 13.13 H new ATOM 0 HG22 VAL A 47 -9.405 -0.692 10.988 1.00 13.13 H new ATOM 0 HG23 VAL A 47 -7.806 -0.587 11.761 1.00 13.13 H new ATOM 673 N THR A 48 -7.613 -3.301 7.372 1.00 3.13 N ATOM 674 CA THR A 48 -7.160 -3.674 6.038 1.00 72.43 C ATOM 675 C THR A 48 -7.300 -2.511 5.064 1.00 41.01 C ATOM 676 O THR A 48 -6.371 -2.197 4.320 1.00 43.54 O ATOM 677 CB THR A 48 -7.947 -4.882 5.496 1.00 1.23 C ATOM 678 OG1 THR A 48 -8.388 -5.707 6.580 1.00 1.42 O ATOM 679 CG2 THR A 48 -7.090 -5.703 4.544 1.00 42.22 C ATOM 0 H THR A 48 -8.419 -3.830 7.707 1.00 3.13 H new ATOM 0 HA THR A 48 -6.108 -3.945 6.125 1.00 72.43 H new ATOM 0 HB THR A 48 -8.813 -4.507 4.950 1.00 1.23 H new ATOM 0 HG1 THR A 48 -8.889 -6.472 6.226 1.00 1.42 H new ATOM 0 HG21 THR A 48 -7.667 -6.551 4.174 1.00 42.22 H new ATOM 0 HG22 THR A 48 -6.780 -5.081 3.704 1.00 42.22 H new ATOM 0 HG23 THR A 48 -6.208 -6.067 5.071 1.00 42.22 H new ATOM 687 N SER A 49 -8.468 -1.875 5.073 1.00 35.01 N ATOM 688 CA SER A 49 -8.730 -0.747 4.187 1.00 1.23 C ATOM 689 C SER A 49 -9.606 0.294 4.877 1.00 52.21 C ATOM 690 O SER A 49 -10.393 -0.032 5.766 1.00 51.41 O ATOM 691 CB SER A 49 -9.409 -1.228 2.902 1.00 12.31 C ATOM 692 OG SER A 49 -8.449 -1.626 1.937 1.00 42.10 O ATOM 0 H SER A 49 -9.247 -2.122 5.684 1.00 35.01 H new ATOM 0 HA SER A 49 -7.775 -0.285 3.936 1.00 1.23 H new ATOM 0 HB2 SER A 49 -10.071 -2.064 3.128 1.00 12.31 H new ATOM 0 HB3 SER A 49 -10.030 -0.430 2.494 1.00 12.31 H new ATOM 0 HG SER A 49 -7.619 -1.885 2.389 1.00 42.10 H new ATOM 698 N ALA A 50 -9.461 1.549 4.462 1.00 23.41 N ATOM 699 CA ALA A 50 -10.238 2.638 5.039 1.00 22.12 C ATOM 700 C ALA A 50 -10.619 3.663 3.976 1.00 61.23 C ATOM 701 O ALA A 50 -10.029 3.700 2.896 1.00 21.53 O ATOM 702 CB ALA A 50 -9.460 3.305 6.163 1.00 70.32 C ATOM 0 H ALA A 50 -8.813 1.836 3.729 1.00 23.41 H new ATOM 0 HA ALA A 50 -11.157 2.218 5.448 1.00 22.12 H new ATOM 0 HB1 ALA A 50 -10.053 4.117 6.584 1.00 70.32 H new ATOM 0 HB2 ALA A 50 -9.244 2.572 6.940 1.00 70.32 H new ATOM 0 HB3 ALA A 50 -8.525 3.705 5.771 1.00 70.32 H new ATOM 708 N TRP A 51 -11.608 4.492 4.288 1.00 64.34 N ATOM 709 CA TRP A 51 -12.068 5.518 3.359 1.00 42.21 C ATOM 710 C TRP A 51 -12.540 6.760 4.107 1.00 71.21 C ATOM 711 O TRP A 51 -13.107 6.661 5.196 1.00 12.22 O ATOM 712 CB TRP A 51 -13.200 4.973 2.485 1.00 74.21 C ATOM 713 CG TRP A 51 -14.272 4.279 3.268 1.00 65.54 C ATOM 714 CD1 TRP A 51 -15.205 4.864 4.078 1.00 34.31 C ATOM 715 CD2 TRP A 51 -14.523 2.870 3.318 1.00 10.41 C ATOM 716 NE1 TRP A 51 -16.019 3.902 4.627 1.00 63.22 N ATOM 717 CE2 TRP A 51 -15.622 2.672 4.175 1.00 31.52 C ATOM 718 CE3 TRP A 51 -13.926 1.757 2.719 1.00 1.32 C ATOM 719 CZ2 TRP A 51 -16.134 1.406 4.449 1.00 11.03 C ATOM 720 CZ3 TRP A 51 -14.435 0.502 2.990 1.00 41.03 C ATOM 721 CH2 TRP A 51 -15.530 0.334 3.848 1.00 72.22 C ATOM 0 H TRP A 51 -12.107 4.474 5.177 1.00 64.34 H new ATOM 0 HA TRP A 51 -11.229 5.798 2.723 1.00 42.21 H new ATOM 0 HB2 TRP A 51 -13.644 5.795 1.924 1.00 74.21 H new ATOM 0 HB3 TRP A 51 -12.784 4.277 1.756 1.00 74.21 H new ATOM 0 HD1 TRP A 51 -15.290 5.925 4.260 1.00 34.31 H new ATOM 0 HE1 TRP A 51 -16.793 4.076 5.267 1.00 63.22 H new ATOM 0 HE3 TRP A 51 -13.082 1.876 2.056 1.00 1.32 H new ATOM 0 HZ2 TRP A 51 -16.977 1.275 5.111 1.00 11.03 H new ATOM 0 HZ3 TRP A 51 -13.981 -0.365 2.533 1.00 41.03 H new ATOM 0 HH2 TRP A 51 -15.905 -0.661 4.039 1.00 72.22 H new ATOM 732 N ASP A 52 -12.302 7.926 3.517 1.00 62.45 N ATOM 733 CA ASP A 52 -12.705 9.188 4.130 1.00 15.42 C ATOM 734 C ASP A 52 -11.960 9.417 5.441 1.00 41.25 C ATOM 735 O ASP A 52 -12.346 10.266 6.244 1.00 31.10 O ATOM 736 CB ASP A 52 -14.214 9.201 4.376 1.00 23.42 C ATOM 737 CG ASP A 52 -14.836 10.553 4.087 1.00 3.00 C ATOM 738 OD1 ASP A 52 -14.175 11.579 4.354 1.00 20.41 O ATOM 739 OD2 ASP A 52 -15.983 10.586 3.596 1.00 2.22 O ATOM 0 H ASP A 52 -11.833 8.025 2.617 1.00 62.45 H new ATOM 0 HA ASP A 52 -12.451 9.995 3.443 1.00 15.42 H new ATOM 0 HB2 ASP A 52 -14.688 8.445 3.750 1.00 23.42 H new ATOM 0 HB3 ASP A 52 -14.413 8.927 5.412 1.00 23.42 H new ATOM 744 N ALA A 53 -10.892 8.654 5.650 1.00 62.24 N ATOM 745 CA ALA A 53 -10.093 8.775 6.864 1.00 44.21 C ATOM 746 C ALA A 53 -8.831 7.925 6.778 1.00 3.03 C ATOM 747 O ALA A 53 -8.884 6.701 6.901 1.00 31.42 O ATOM 748 CB ALA A 53 -10.918 8.379 8.080 1.00 14.21 C ATOM 0 H ALA A 53 -10.560 7.946 4.995 1.00 62.24 H new ATOM 0 HA ALA A 53 -9.790 9.817 6.968 1.00 44.21 H new ATOM 0 HB1 ALA A 53 -10.309 8.474 8.979 1.00 14.21 H new ATOM 0 HB2 ALA A 53 -11.787 9.033 8.159 1.00 14.21 H new ATOM 0 HB3 ALA A 53 -11.250 7.346 7.974 1.00 14.21 H new ATOM 754 N THR A 54 -7.695 8.581 6.562 1.00 72.54 N ATOM 755 CA THR A 54 -6.418 7.885 6.458 1.00 22.53 C ATOM 756 C THR A 54 -6.081 7.155 7.753 1.00 23.31 C ATOM 757 O THR A 54 -5.498 7.734 8.669 1.00 53.14 O ATOM 758 CB THR A 54 -5.274 8.857 6.116 1.00 71.44 C ATOM 759 OG1 THR A 54 -5.490 9.435 4.825 1.00 5.04 O ATOM 760 CG2 THR A 54 -3.932 8.143 6.140 1.00 11.21 C ATOM 0 H THR A 54 -7.633 9.594 6.456 1.00 72.54 H new ATOM 0 HA THR A 54 -6.520 7.158 5.652 1.00 22.53 H new ATOM 0 HB THR A 54 -5.261 9.646 6.868 1.00 71.44 H new ATOM 0 HG1 THR A 54 -4.758 10.053 4.617 1.00 5.04 H new ATOM 0 HG21 THR A 54 -3.139 8.850 5.895 1.00 11.21 H new ATOM 0 HG22 THR A 54 -3.757 7.731 7.134 1.00 11.21 H new ATOM 0 HG23 THR A 54 -3.936 7.335 5.408 1.00 11.21 H new ATOM 768 N VAL A 55 -6.452 5.880 7.823 1.00 44.21 N ATOM 769 CA VAL A 55 -6.187 5.071 9.007 1.00 15.31 C ATOM 770 C VAL A 55 -4.798 4.447 8.945 1.00 33.23 C ATOM 771 O VAL A 55 -4.529 3.581 8.111 1.00 21.33 O ATOM 772 CB VAL A 55 -7.234 3.953 9.168 1.00 52.45 C ATOM 773 CG1 VAL A 55 -6.915 3.095 10.383 1.00 22.44 C ATOM 774 CG2 VAL A 55 -8.632 4.545 9.274 1.00 11.15 C ATOM 0 H VAL A 55 -6.937 5.386 7.074 1.00 44.21 H new ATOM 0 HA VAL A 55 -6.244 5.738 9.867 1.00 15.31 H new ATOM 0 HB VAL A 55 -7.200 3.316 8.284 1.00 52.45 H new ATOM 0 HG11 VAL A 55 -7.665 2.310 10.481 1.00 22.44 H new ATOM 0 HG12 VAL A 55 -5.931 2.643 10.261 1.00 22.44 H new ATOM 0 HG13 VAL A 55 -6.920 3.716 11.279 1.00 22.44 H new ATOM 0 HG21 VAL A 55 -9.360 3.741 9.387 1.00 11.15 H new ATOM 0 HG22 VAL A 55 -8.683 5.205 10.140 1.00 11.15 H new ATOM 0 HG23 VAL A 55 -8.856 5.113 8.371 1.00 11.15 H new ATOM 784 N THR A 56 -3.915 4.891 9.834 1.00 72.54 N ATOM 785 CA THR A 56 -2.552 4.376 9.882 1.00 24.21 C ATOM 786 C THR A 56 -2.301 3.602 11.171 1.00 42.35 C ATOM 787 O THR A 56 -3.065 3.710 12.128 1.00 74.52 O ATOM 788 CB THR A 56 -1.518 5.513 9.768 1.00 32.31 C ATOM 789 OG1 THR A 56 -0.192 4.978 9.846 1.00 30.31 O ATOM 790 CG2 THR A 56 -1.721 6.540 10.872 1.00 4.11 C ATOM 0 H THR A 56 -4.120 5.607 10.531 1.00 72.54 H new ATOM 0 HA THR A 56 -2.438 3.704 9.031 1.00 24.21 H new ATOM 0 HB THR A 56 -1.655 6.005 8.805 1.00 32.31 H new ATOM 0 HG1 THR A 56 0.459 5.706 9.771 1.00 30.31 H new ATOM 0 HG21 THR A 56 -0.980 7.333 10.772 1.00 4.11 H new ATOM 0 HG22 THR A 56 -2.721 6.966 10.793 1.00 4.11 H new ATOM 0 HG23 THR A 56 -1.607 6.058 11.843 1.00 4.11 H new ATOM 798 N ASN A 57 -1.225 2.823 11.188 1.00 13.35 N ATOM 799 CA ASN A 57 -0.872 2.030 12.360 1.00 62.12 C ATOM 800 C ASN A 57 0.523 2.390 12.862 1.00 42.42 C ATOM 801 O ASN A 57 1.326 2.970 12.130 1.00 23.23 O ATOM 802 CB ASN A 57 -0.938 0.538 12.032 1.00 22.43 C ATOM 803 CG ASN A 57 0.348 0.024 11.416 1.00 32.13 C ATOM 804 OD1 ASN A 57 0.554 0.126 10.206 1.00 35.33 O ATOM 805 ND2 ASN A 57 1.221 -0.533 12.248 1.00 12.35 N ATOM 0 H ASN A 57 -0.582 2.724 10.403 1.00 13.35 H new ATOM 0 HA ASN A 57 -1.591 2.254 13.148 1.00 62.12 H new ATOM 0 HB2 ASN A 57 -1.151 -0.022 12.942 1.00 22.43 H new ATOM 0 HB3 ASN A 57 -1.765 0.356 11.345 1.00 22.43 H new ATOM 0 HD21 ASN A 57 2.104 -0.898 11.891 1.00 12.35 H new ATOM 0 HD22 ASN A 57 1.008 -0.596 13.244 1.00 12.35 H new ATOM 812 N SER A 58 0.804 2.043 14.114 1.00 5.15 N ATOM 813 CA SER A 58 2.101 2.333 14.713 1.00 64.42 C ATOM 814 C SER A 58 2.360 1.424 15.911 1.00 12.03 C ATOM 815 O SER A 58 2.089 1.790 17.053 1.00 73.05 O ATOM 816 CB SER A 58 2.170 3.798 15.148 1.00 2.11 C ATOM 817 OG SER A 58 2.546 4.633 14.066 1.00 4.23 O ATOM 0 H SER A 58 0.151 1.561 14.732 1.00 5.15 H new ATOM 0 HA SER A 58 2.870 2.147 13.963 1.00 64.42 H new ATOM 0 HB2 SER A 58 1.200 4.112 15.534 1.00 2.11 H new ATOM 0 HB3 SER A 58 2.887 3.906 15.961 1.00 2.11 H new ATOM 0 HG SER A 58 2.248 4.231 13.224 1.00 4.23 H new ATOM 823 N GLY A 59 2.887 0.233 15.639 1.00 20.11 N ATOM 824 CA GLY A 59 3.175 -0.712 16.703 1.00 45.13 C ATOM 825 C GLY A 59 1.925 -1.385 17.233 1.00 22.43 C ATOM 826 O GLY A 59 1.488 -2.405 16.699 1.00 25.42 O ATOM 0 H GLY A 59 3.119 -0.094 14.701 1.00 20.11 H new ATOM 0 HA2 GLY A 59 3.864 -1.471 16.334 1.00 45.13 H new ATOM 0 HA3 GLY A 59 3.679 -0.194 17.519 1.00 45.13 H new ATOM 830 N ASP A 60 1.349 -0.817 18.287 1.00 12.41 N ATOM 831 CA ASP A 60 0.142 -1.370 18.889 1.00 62.21 C ATOM 832 C ASP A 60 -0.950 -0.309 18.991 1.00 32.10 C ATOM 833 O ASP A 60 -1.967 -0.512 19.655 1.00 1.41 O ATOM 834 CB ASP A 60 0.452 -1.935 20.277 1.00 42.13 C ATOM 835 CG ASP A 60 1.015 -3.341 20.216 1.00 74.25 C ATOM 836 OD1 ASP A 60 1.029 -3.928 19.115 1.00 11.32 O ATOM 837 OD2 ASP A 60 1.442 -3.855 21.272 1.00 30.22 O ATOM 0 H ASP A 60 1.699 0.026 18.742 1.00 12.41 H new ATOM 0 HA ASP A 60 -0.218 -2.175 18.249 1.00 62.21 H new ATOM 0 HB2 ASP A 60 1.165 -1.283 20.781 1.00 42.13 H new ATOM 0 HB3 ASP A 60 -0.458 -1.937 20.877 1.00 42.13 H new ATOM 842 N HIS A 61 -0.731 0.822 18.329 1.00 62.23 N ATOM 843 CA HIS A 61 -1.696 1.916 18.345 1.00 22.45 C ATOM 844 C HIS A 61 -2.117 2.290 16.927 1.00 61.21 C ATOM 845 O HIS A 61 -1.325 2.196 15.989 1.00 61.52 O ATOM 846 CB HIS A 61 -1.106 3.135 19.053 1.00 41.23 C ATOM 847 CG HIS A 61 -1.934 4.374 18.903 1.00 23.10 C ATOM 848 ND1 HIS A 61 -2.788 4.834 19.884 1.00 34.13 N ATOM 849 CD2 HIS A 61 -2.035 5.252 17.878 1.00 50.40 C ATOM 850 CE1 HIS A 61 -3.378 5.939 19.468 1.00 51.02 C ATOM 851 NE2 HIS A 61 -2.938 6.215 18.253 1.00 62.05 N ATOM 0 H HIS A 61 0.106 1.005 17.775 1.00 62.23 H new ATOM 0 HA HIS A 61 -2.578 1.581 18.890 1.00 22.45 H new ATOM 0 HB2 HIS A 61 -0.993 2.910 20.113 1.00 41.23 H new ATOM 0 HB3 HIS A 61 -0.107 3.325 18.660 1.00 41.23 H new ATOM 0 HD1 HIS A 61 -2.940 4.390 20.789 1.00 34.13 H new ATOM 0 HD2 HIS A 61 -1.504 5.204 16.939 1.00 50.40 H new ATOM 0 HE1 HIS A 61 -4.098 6.519 20.026 1.00 51.02 H new ATOM 859 N TRP A 62 -3.367 2.714 16.778 1.00 1.42 N ATOM 860 CA TRP A 62 -3.892 3.102 15.474 1.00 50.02 C ATOM 861 C TRP A 62 -4.525 4.487 15.532 1.00 3.31 C ATOM 862 O TRP A 62 -4.942 4.947 16.596 1.00 22.04 O ATOM 863 CB TRP A 62 -4.919 2.078 14.989 1.00 63.52 C ATOM 864 CG TRP A 62 -4.302 0.806 14.491 1.00 41.44 C ATOM 865 CD1 TRP A 62 -3.675 -0.149 15.239 1.00 62.44 C ATOM 866 CD2 TRP A 62 -4.249 0.353 13.134 1.00 63.45 C ATOM 867 NE1 TRP A 62 -3.238 -1.169 14.430 1.00 53.24 N ATOM 868 CE2 TRP A 62 -3.578 -0.884 13.133 1.00 32.40 C ATOM 869 CE3 TRP A 62 -4.707 0.872 11.920 1.00 54.31 C ATOM 870 CZ2 TRP A 62 -3.353 -1.609 11.966 1.00 61.13 C ATOM 871 CZ3 TRP A 62 -4.482 0.153 10.761 1.00 31.42 C ATOM 872 CH2 TRP A 62 -3.811 -1.077 10.791 1.00 31.33 C ATOM 0 H TRP A 62 -4.036 2.798 17.544 1.00 1.42 H new ATOM 0 HA TRP A 62 -3.060 3.133 14.770 1.00 50.02 H new ATOM 0 HB2 TRP A 62 -5.603 1.846 15.805 1.00 63.52 H new ATOM 0 HB3 TRP A 62 -5.514 2.521 14.191 1.00 63.52 H new ATOM 0 HD1 TRP A 62 -3.542 -0.108 16.310 1.00 62.44 H new ATOM 0 HE1 TRP A 62 -2.741 -2.003 14.743 1.00 53.24 H new ATOM 0 HE3 TRP A 62 -5.227 1.818 11.888 1.00 54.31 H new ATOM 0 HZ2 TRP A 62 -2.836 -2.557 11.987 1.00 61.13 H new ATOM 0 HZ3 TRP A 62 -4.829 0.546 9.817 1.00 31.42 H new ATOM 0 HH2 TRP A 62 -3.652 -1.616 9.869 1.00 31.33 H new ATOM 883 N THR A 63 -4.595 5.151 14.382 1.00 12.22 N ATOM 884 CA THR A 63 -5.177 6.485 14.302 1.00 35.32 C ATOM 885 C THR A 63 -5.800 6.732 12.933 1.00 64.05 C ATOM 886 O THR A 63 -5.335 6.204 11.925 1.00 15.22 O ATOM 887 CB THR A 63 -4.123 7.575 14.579 1.00 31.51 C ATOM 888 OG1 THR A 63 -4.658 8.864 14.263 1.00 43.24 O ATOM 889 CG2 THR A 63 -2.863 7.328 13.763 1.00 43.44 C ATOM 0 H THR A 63 -4.255 4.786 13.492 1.00 12.22 H new ATOM 0 HA THR A 63 -5.953 6.538 15.066 1.00 35.32 H new ATOM 0 HB THR A 63 -3.864 7.540 15.637 1.00 31.51 H new ATOM 0 HG1 THR A 63 -3.983 9.551 14.443 1.00 43.24 H new ATOM 0 HG21 THR A 63 -2.133 8.110 13.975 1.00 43.44 H new ATOM 0 HG22 THR A 63 -2.443 6.358 14.028 1.00 43.44 H new ATOM 0 HG23 THR A 63 -3.109 7.339 12.701 1.00 43.44 H new ATOM 897 N ALA A 64 -6.855 7.540 12.907 1.00 42.10 N ATOM 898 CA ALA A 64 -7.540 7.859 11.661 1.00 40.42 C ATOM 899 C ALA A 64 -7.726 9.366 11.507 1.00 24.05 C ATOM 900 O ALA A 64 -8.369 10.011 12.336 1.00 13.02 O ATOM 901 CB ALA A 64 -8.886 7.151 11.601 1.00 12.33 C ATOM 0 H ALA A 64 -7.253 7.985 13.734 1.00 42.10 H new ATOM 0 HA ALA A 64 -6.921 7.509 10.835 1.00 40.42 H new ATOM 0 HB1 ALA A 64 -9.386 7.399 10.665 1.00 12.33 H new ATOM 0 HB2 ALA A 64 -8.733 6.073 11.656 1.00 12.33 H new ATOM 0 HB3 ALA A 64 -9.504 7.473 12.439 1.00 12.33 H new ATOM 907 N LYS A 65 -7.159 9.921 10.441 1.00 61.21 N ATOM 908 CA LYS A 65 -7.262 11.352 10.178 1.00 33.44 C ATOM 909 C LYS A 65 -7.513 11.616 8.696 1.00 34.34 C ATOM 910 O LYS A 65 -6.997 10.905 7.834 1.00 21.11 O ATOM 911 CB LYS A 65 -5.985 12.067 10.625 1.00 0.11 C ATOM 912 CG LYS A 65 -4.740 11.202 10.534 1.00 33.33 C ATOM 913 CD LYS A 65 -4.436 10.810 9.098 1.00 23.54 C ATOM 914 CE LYS A 65 -2.983 10.397 8.929 1.00 13.42 C ATOM 915 NZ LYS A 65 -2.579 9.366 9.924 1.00 10.04 N ATOM 0 H LYS A 65 -6.623 9.402 9.745 1.00 61.21 H new ATOM 0 HA LYS A 65 -8.107 11.741 10.747 1.00 33.44 H new ATOM 0 HB2 LYS A 65 -5.844 12.958 10.013 1.00 0.11 H new ATOM 0 HB3 LYS A 65 -6.109 12.404 11.654 1.00 0.11 H new ATOM 0 HG2 LYS A 65 -3.890 11.741 10.952 1.00 33.33 H new ATOM 0 HG3 LYS A 65 -4.875 10.304 11.136 1.00 33.33 H new ATOM 0 HD2 LYS A 65 -5.086 9.988 8.799 1.00 23.54 H new ATOM 0 HD3 LYS A 65 -4.657 11.648 8.437 1.00 23.54 H new ATOM 0 HE2 LYS A 65 -2.831 10.009 7.922 1.00 13.42 H new ATOM 0 HE3 LYS A 65 -2.342 11.273 9.033 1.00 13.42 H new ATOM 0 HZ1 LYS A 65 -1.889 8.719 9.492 1.00 10.04 H new ATOM 0 HZ2 LYS A 65 -2.149 9.830 10.750 1.00 10.04 H new ATOM 0 HZ3 LYS A 65 -3.416 8.828 10.226 1.00 10.04 H new ATOM 929 N ASN A 66 -8.306 12.642 8.408 1.00 72.42 N ATOM 930 CA ASN A 66 -8.624 13.000 7.031 1.00 12.25 C ATOM 931 C ASN A 66 -8.235 14.446 6.741 1.00 71.23 C ATOM 932 O ASN A 66 -7.807 14.776 5.635 1.00 32.24 O ATOM 933 CB ASN A 66 -10.116 12.798 6.761 1.00 14.34 C ATOM 934 CG ASN A 66 -10.382 12.235 5.378 1.00 1.54 C ATOM 935 OD1 ASN A 66 -9.617 11.413 4.872 1.00 70.51 O ATOM 936 ND2 ASN A 66 -11.470 12.677 4.758 1.00 32.41 N ATOM 0 H ASN A 66 -8.741 13.241 9.110 1.00 72.42 H new ATOM 0 HA ASN A 66 -8.051 12.349 6.371 1.00 12.25 H new ATOM 0 HB2 ASN A 66 -10.530 12.124 7.511 1.00 14.34 H new ATOM 0 HB3 ASN A 66 -10.634 13.751 6.868 1.00 14.34 H new ATOM 0 HD21 ASN A 66 -11.700 12.335 3.825 1.00 32.41 H new ATOM 0 HD22 ASN A 66 -12.076 13.359 5.215 1.00 32.41 H new ATOM 943 N VAL A 67 -8.385 15.306 7.744 1.00 24.04 N ATOM 944 CA VAL A 67 -8.048 16.717 7.597 1.00 1.11 C ATOM 945 C VAL A 67 -6.591 16.975 7.964 1.00 1.42 C ATOM 946 O VAL A 67 -6.272 17.963 8.623 1.00 51.11 O ATOM 947 CB VAL A 67 -8.951 17.604 8.475 1.00 22.44 C ATOM 948 CG1 VAL A 67 -10.367 17.638 7.921 1.00 3.03 C ATOM 949 CG2 VAL A 67 -8.946 17.110 9.914 1.00 42.04 C ATOM 0 H VAL A 67 -8.737 15.050 8.666 1.00 24.04 H new ATOM 0 HA VAL A 67 -8.207 16.973 6.549 1.00 1.11 H new ATOM 0 HB VAL A 67 -8.556 18.620 8.462 1.00 22.44 H new ATOM 0 HG11 VAL A 67 -10.990 18.269 8.554 1.00 3.03 H new ATOM 0 HG12 VAL A 67 -10.352 18.042 6.909 1.00 3.03 H new ATOM 0 HG13 VAL A 67 -10.775 16.627 7.903 1.00 3.03 H new ATOM 0 HG21 VAL A 67 -9.589 17.748 10.520 1.00 42.04 H new ATOM 0 HG22 VAL A 67 -9.316 16.085 9.948 1.00 42.04 H new ATOM 0 HG23 VAL A 67 -7.930 17.142 10.306 1.00 42.04 H new ATOM 959 N GLY A 68 -5.710 16.078 7.532 1.00 5.22 N ATOM 960 CA GLY A 68 -4.296 16.227 7.823 1.00 12.11 C ATOM 961 C GLY A 68 -3.620 17.237 6.917 1.00 23.52 C ATOM 962 O GLY A 68 -2.412 17.452 7.011 1.00 42.24 O ATOM 0 H GLY A 68 -5.950 15.251 6.986 1.00 5.22 H new ATOM 0 HA2 GLY A 68 -4.173 16.535 8.861 1.00 12.11 H new ATOM 0 HA3 GLY A 68 -3.803 15.261 7.717 1.00 12.11 H new ATOM 966 N TRP A 69 -4.400 17.855 6.038 1.00 53.33 N ATOM 967 CA TRP A 69 -3.868 18.847 5.110 1.00 72.23 C ATOM 968 C TRP A 69 -4.404 20.237 5.433 1.00 65.22 C ATOM 969 O TRP A 69 -3.810 21.245 5.054 1.00 50.12 O ATOM 970 CB TRP A 69 -4.224 18.471 3.671 1.00 64.33 C ATOM 971 CG TRP A 69 -5.561 17.804 3.544 1.00 51.13 C ATOM 972 CD1 TRP A 69 -5.819 16.465 3.616 1.00 62.05 C ATOM 973 CD2 TRP A 69 -6.820 18.446 3.321 1.00 63.51 C ATOM 974 NE1 TRP A 69 -7.163 16.236 3.452 1.00 23.03 N ATOM 975 CE2 TRP A 69 -7.800 17.435 3.270 1.00 72.30 C ATOM 976 CE3 TRP A 69 -7.218 19.776 3.163 1.00 2.53 C ATOM 977 CZ2 TRP A 69 -9.148 17.714 3.065 1.00 42.21 C ATOM 978 CZ3 TRP A 69 -8.556 20.053 2.958 1.00 60.42 C ATOM 979 CH2 TRP A 69 -9.509 19.025 2.912 1.00 52.54 C ATOM 0 H TRP A 69 -5.402 17.687 5.948 1.00 53.33 H new ATOM 0 HA TRP A 69 -2.783 18.863 5.216 1.00 72.23 H new ATOM 0 HB2 TRP A 69 -4.215 19.370 3.055 1.00 64.33 H new ATOM 0 HB3 TRP A 69 -3.456 17.806 3.276 1.00 64.33 H new ATOM 0 HD1 TRP A 69 -5.075 15.699 3.778 1.00 62.05 H new ATOM 0 HE1 TRP A 69 -7.614 15.321 3.464 1.00 23.03 H new ATOM 0 HE3 TRP A 69 -6.492 20.574 3.200 1.00 2.53 H new ATOM 0 HZ2 TRP A 69 -9.883 16.924 3.028 1.00 42.21 H new ATOM 0 HZ3 TRP A 69 -8.873 21.078 2.831 1.00 60.42 H new ATOM 0 HH2 TRP A 69 -10.548 19.273 2.753 1.00 52.54 H new ATOM 990 N ASN A 70 -5.532 20.284 6.136 1.00 34.03 N ATOM 991 CA ASN A 70 -6.148 21.551 6.509 1.00 5.10 C ATOM 992 C ASN A 70 -6.464 21.584 8.001 1.00 62.52 C ATOM 993 O ASN A 70 -5.829 22.309 8.765 1.00 51.20 O ATOM 994 CB ASN A 70 -7.427 21.779 5.700 1.00 21.12 C ATOM 995 CG ASN A 70 -7.181 22.599 4.448 1.00 34.15 C ATOM 996 OD1 ASN A 70 -6.049 22.707 3.976 1.00 63.54 O ATOM 997 ND2 ASN A 70 -8.243 23.181 3.905 1.00 5.31 N ATOM 0 H ASN A 70 -6.037 19.459 6.458 1.00 34.03 H new ATOM 0 HA ASN A 70 -5.440 22.349 6.288 1.00 5.10 H new ATOM 0 HB2 ASN A 70 -7.854 20.816 5.422 1.00 21.12 H new ATOM 0 HB3 ASN A 70 -8.163 22.286 6.324 1.00 21.12 H new ATOM 0 HD21 ASN A 70 -8.140 23.746 3.062 1.00 5.31 H new ATOM 0 HD22 ASN A 70 -9.162 23.064 4.331 1.00 5.31 H new ATOM 1004 N GLY A 71 -7.452 20.792 8.408 1.00 70.51 N ATOM 1005 CA GLY A 71 -7.835 20.745 9.807 1.00 35.32 C ATOM 1006 C GLY A 71 -8.918 21.750 10.147 1.00 11.53 C ATOM 1007 O GLY A 71 -9.815 21.465 10.940 1.00 34.40 O ATOM 0 H GLY A 71 -7.993 20.183 7.794 1.00 70.51 H new ATOM 0 HA2 GLY A 71 -8.185 19.742 10.051 1.00 35.32 H new ATOM 0 HA3 GLY A 71 -6.959 20.936 10.427 1.00 35.32 H new ATOM 1011 N THR A 72 -8.834 22.933 9.544 1.00 25.54 N ATOM 1012 CA THR A 72 -9.812 23.986 9.789 1.00 22.44 C ATOM 1013 C THR A 72 -11.235 23.463 9.623 1.00 44.11 C ATOM 1014 O THR A 72 -11.690 23.213 8.505 1.00 54.43 O ATOM 1015 CB THR A 72 -9.602 25.179 8.838 1.00 52.34 C ATOM 1016 OG1 THR A 72 -10.729 26.060 8.901 1.00 10.00 O ATOM 1017 CG2 THR A 72 -9.402 24.703 7.408 1.00 11.43 C ATOM 0 H THR A 72 -8.099 23.185 8.883 1.00 25.54 H new ATOM 0 HA THR A 72 -9.667 24.320 10.817 1.00 22.44 H new ATOM 0 HB THR A 72 -8.706 25.714 9.154 1.00 52.34 H new ATOM 0 HG1 THR A 72 -10.587 26.817 8.295 1.00 10.00 H new ATOM 0 HG21 THR A 72 -9.256 25.564 6.755 1.00 11.43 H new ATOM 0 HG22 THR A 72 -8.525 24.057 7.359 1.00 11.43 H new ATOM 0 HG23 THR A 72 -10.281 24.147 7.083 1.00 11.43 H new ATOM 1025 N LEU A 73 -11.934 23.300 10.740 1.00 41.43 N ATOM 1026 CA LEU A 73 -13.307 22.809 10.719 1.00 63.11 C ATOM 1027 C LEU A 73 -14.248 23.788 11.413 1.00 42.22 C ATOM 1028 O LEU A 73 -13.865 24.460 12.371 1.00 14.44 O ATOM 1029 CB LEU A 73 -13.390 21.440 11.395 1.00 32.32 C ATOM 1030 CG LEU A 73 -14.479 20.499 10.876 1.00 64.33 C ATOM 1031 CD1 LEU A 73 -14.161 20.042 9.461 1.00 55.34 C ATOM 1032 CD2 LEU A 73 -14.636 19.302 11.803 1.00 62.11 C ATOM 0 H LEU A 73 -11.572 23.501 11.672 1.00 41.43 H new ATOM 0 HA LEU A 73 -13.616 22.714 9.678 1.00 63.11 H new ATOM 0 HB2 LEU A 73 -12.426 20.944 11.284 1.00 32.32 H new ATOM 0 HB3 LEU A 73 -13.549 21.593 12.462 1.00 32.32 H new ATOM 0 HG LEU A 73 -15.423 21.044 10.856 1.00 64.33 H new ATOM 0 HD11 LEU A 73 -14.947 19.374 9.109 1.00 55.34 H new ATOM 0 HD12 LEU A 73 -14.101 20.909 8.803 1.00 55.34 H new ATOM 0 HD13 LEU A 73 -13.207 19.515 9.455 1.00 55.34 H new ATOM 0 HD21 LEU A 73 -15.415 18.644 11.418 1.00 62.11 H new ATOM 0 HD22 LEU A 73 -13.694 18.757 11.856 1.00 62.11 H new ATOM 0 HD23 LEU A 73 -14.912 19.647 12.799 1.00 62.11 H new ATOM 1044 N ALA A 74 -15.482 23.864 10.925 1.00 31.00 N ATOM 1045 CA ALA A 74 -16.479 24.758 11.501 1.00 33.41 C ATOM 1046 C ALA A 74 -16.764 24.397 12.954 1.00 64.12 C ATOM 1047 O ALA A 74 -16.490 23.286 13.409 1.00 20.13 O ATOM 1048 CB ALA A 74 -17.761 24.716 10.682 1.00 40.13 C ATOM 0 H ALA A 74 -15.815 23.317 10.131 1.00 31.00 H new ATOM 0 HA ALA A 74 -16.080 25.772 11.478 1.00 33.41 H new ATOM 0 HB1 ALA A 74 -18.497 25.388 11.123 1.00 40.13 H new ATOM 0 HB2 ALA A 74 -17.550 25.030 9.660 1.00 40.13 H new ATOM 0 HB3 ALA A 74 -18.156 23.700 10.676 1.00 40.13 H new ATOM 1054 N PRO A 75 -17.329 25.356 13.703 1.00 61.41 N ATOM 1055 CA PRO A 75 -17.664 25.163 15.117 1.00 24.30 C ATOM 1056 C PRO A 75 -18.825 24.193 15.310 1.00 10.35 C ATOM 1057 O PRO A 75 -19.137 23.798 16.432 1.00 71.24 O ATOM 1058 CB PRO A 75 -18.057 26.567 15.584 1.00 32.34 C ATOM 1059 CG PRO A 75 -18.513 27.263 14.349 1.00 64.20 C ATOM 1060 CD PRO A 75 -17.683 26.704 13.227 1.00 75.24 C ATOM 0 HA PRO A 75 -16.835 24.730 15.677 1.00 24.30 H new ATOM 0 HB2 PRO A 75 -18.849 26.528 16.332 1.00 32.34 H new ATOM 0 HB3 PRO A 75 -17.212 27.083 16.040 1.00 32.34 H new ATOM 0 HG2 PRO A 75 -19.575 27.089 14.173 1.00 64.20 H new ATOM 0 HG3 PRO A 75 -18.376 28.341 14.436 1.00 64.20 H new ATOM 0 HD2 PRO A 75 -18.244 26.666 12.293 1.00 75.24 H new ATOM 0 HD3 PRO A 75 -16.796 27.311 13.042 1.00 75.24 H new ATOM 1068 N GLY A 76 -19.462 23.813 14.206 1.00 24.42 N ATOM 1069 CA GLY A 76 -20.582 22.892 14.277 1.00 4.33 C ATOM 1070 C GLY A 76 -20.751 22.087 13.003 1.00 61.21 C ATOM 1071 O GLY A 76 -21.029 22.644 11.941 1.00 14.22 O ATOM 0 H GLY A 76 -19.223 24.126 13.265 1.00 24.42 H new ATOM 0 HA2 GLY A 76 -20.437 22.212 15.116 1.00 4.33 H new ATOM 0 HA3 GLY A 76 -21.497 23.451 14.474 1.00 4.33 H new ATOM 1075 N ALA A 77 -20.582 20.774 13.108 1.00 21.54 N ATOM 1076 CA ALA A 77 -20.719 19.891 11.956 1.00 64.44 C ATOM 1077 C ALA A 77 -20.520 18.433 12.356 1.00 2.55 C ATOM 1078 O ALA A 77 -20.139 18.135 13.488 1.00 10.32 O ATOM 1079 CB ALA A 77 -19.727 20.283 10.871 1.00 41.10 C ATOM 0 H ALA A 77 -20.350 20.297 13.979 1.00 21.54 H new ATOM 0 HA ALA A 77 -21.731 19.998 11.564 1.00 64.44 H new ATOM 0 HB1 ALA A 77 -19.840 19.616 10.017 1.00 41.10 H new ATOM 0 HB2 ALA A 77 -19.917 21.309 10.558 1.00 41.10 H new ATOM 0 HB3 ALA A 77 -18.712 20.205 11.261 1.00 41.10 H new ATOM 1085 N SER A 78 -20.782 17.527 11.419 1.00 2.35 N ATOM 1086 CA SER A 78 -20.636 16.098 11.675 1.00 45.42 C ATOM 1087 C SER A 78 -19.847 15.424 10.557 1.00 4.32 C ATOM 1088 O SER A 78 -20.132 15.620 9.375 1.00 20.05 O ATOM 1089 CB SER A 78 -22.011 15.441 11.812 1.00 34.41 C ATOM 1090 OG SER A 78 -23.029 16.272 11.284 1.00 31.03 O ATOM 0 H SER A 78 -21.096 17.757 10.476 1.00 2.35 H new ATOM 0 HA SER A 78 -20.087 15.975 12.609 1.00 45.42 H new ATOM 0 HB2 SER A 78 -22.013 14.483 11.292 1.00 34.41 H new ATOM 0 HB3 SER A 78 -22.215 15.234 12.862 1.00 34.41 H new ATOM 0 HG SER A 78 -23.897 15.828 11.382 1.00 31.03 H new ATOM 1096 N VAL A 79 -18.852 14.629 10.939 1.00 23.14 N ATOM 1097 CA VAL A 79 -18.022 13.924 9.970 1.00 35.34 C ATOM 1098 C VAL A 79 -17.786 12.479 10.397 1.00 5.41 C ATOM 1099 O VAL A 79 -17.071 12.216 11.363 1.00 32.22 O ATOM 1100 CB VAL A 79 -16.661 14.622 9.784 1.00 20.30 C ATOM 1101 CG1 VAL A 79 -15.794 13.848 8.802 1.00 71.12 C ATOM 1102 CG2 VAL A 79 -16.857 16.056 9.320 1.00 5.25 C ATOM 0 H VAL A 79 -18.602 14.457 11.913 1.00 23.14 H new ATOM 0 HA VAL A 79 -18.561 13.936 9.023 1.00 35.34 H new ATOM 0 HB VAL A 79 -16.148 14.643 10.746 1.00 20.30 H new ATOM 0 HG11 VAL A 79 -14.837 14.356 8.683 1.00 71.12 H new ATOM 0 HG12 VAL A 79 -15.625 12.840 9.181 1.00 71.12 H new ATOM 0 HG13 VAL A 79 -16.298 13.793 7.837 1.00 71.12 H new ATOM 0 HG21 VAL A 79 -15.885 16.534 9.194 1.00 5.25 H new ATOM 0 HG22 VAL A 79 -17.390 16.061 8.369 1.00 5.25 H new ATOM 0 HG23 VAL A 79 -17.436 16.603 10.064 1.00 5.25 H new ATOM 1112 N SER A 80 -18.392 11.547 9.669 1.00 1.24 N ATOM 1113 CA SER A 80 -18.251 10.127 9.973 1.00 50.14 C ATOM 1114 C SER A 80 -17.419 9.422 8.905 1.00 45.32 C ATOM 1115 O SER A 80 -17.625 9.625 7.709 1.00 13.51 O ATOM 1116 CB SER A 80 -19.626 9.468 10.081 1.00 4.12 C ATOM 1117 OG SER A 80 -19.528 8.059 9.964 1.00 44.31 O ATOM 0 H SER A 80 -18.985 11.749 8.864 1.00 1.24 H new ATOM 0 HA SER A 80 -17.736 10.035 10.929 1.00 50.14 H new ATOM 0 HB2 SER A 80 -20.082 9.726 11.037 1.00 4.12 H new ATOM 0 HB3 SER A 80 -20.281 9.856 9.301 1.00 4.12 H new ATOM 0 HG SER A 80 -18.852 7.725 10.590 1.00 44.31 H new ATOM 1123 N PHE A 81 -16.478 8.595 9.348 1.00 65.41 N ATOM 1124 CA PHE A 81 -15.614 7.860 8.432 1.00 10.23 C ATOM 1125 C PHE A 81 -15.705 6.358 8.685 1.00 30.13 C ATOM 1126 O PHE A 81 -15.671 5.906 9.829 1.00 5.30 O ATOM 1127 CB PHE A 81 -14.164 8.326 8.580 1.00 4.11 C ATOM 1128 CG PHE A 81 -13.504 7.841 9.839 1.00 21.42 C ATOM 1129 CD1 PHE A 81 -12.868 6.610 9.873 1.00 22.02 C ATOM 1130 CD2 PHE A 81 -13.521 8.614 10.988 1.00 55.33 C ATOM 1131 CE1 PHE A 81 -12.259 6.161 11.029 1.00 32.32 C ATOM 1132 CE2 PHE A 81 -12.913 8.170 12.147 1.00 72.50 C ATOM 1133 CZ PHE A 81 -12.282 6.941 12.168 1.00 44.20 C ATOM 0 H PHE A 81 -16.294 8.417 10.335 1.00 65.41 H new ATOM 0 HA PHE A 81 -15.951 8.061 7.415 1.00 10.23 H new ATOM 0 HB2 PHE A 81 -13.590 7.979 7.721 1.00 4.11 H new ATOM 0 HB3 PHE A 81 -14.137 9.416 8.562 1.00 4.11 H new ATOM 0 HD1 PHE A 81 -12.848 5.995 8.986 1.00 22.02 H new ATOM 0 HD2 PHE A 81 -14.015 9.574 10.978 1.00 55.33 H new ATOM 0 HE1 PHE A 81 -11.765 5.201 11.042 1.00 32.32 H new ATOM 0 HE2 PHE A 81 -12.931 8.783 13.036 1.00 72.50 H new ATOM 0 HZ PHE A 81 -11.808 6.591 13.073 1.00 44.20 H new ATOM 1143 N GLY A 82 -15.822 5.588 7.607 1.00 53.21 N ATOM 1144 CA GLY A 82 -15.916 4.146 7.732 1.00 63.50 C ATOM 1145 C GLY A 82 -14.667 3.438 7.245 1.00 25.44 C ATOM 1146 O GLY A 82 -13.747 4.072 6.728 1.00 63.34 O ATOM 0 H GLY A 82 -15.853 5.938 6.649 1.00 53.21 H new ATOM 0 HA2 GLY A 82 -16.094 3.886 8.776 1.00 63.50 H new ATOM 0 HA3 GLY A 82 -16.776 3.791 7.164 1.00 63.50 H new ATOM 1150 N PHE A 83 -14.634 2.120 7.410 1.00 30.42 N ATOM 1151 CA PHE A 83 -13.488 1.324 6.985 1.00 44.12 C ATOM 1152 C PHE A 83 -13.760 -0.165 7.173 1.00 52.43 C ATOM 1153 O PHE A 83 -14.800 -0.556 7.700 1.00 1.32 O ATOM 1154 CB PHE A 83 -12.240 1.731 7.772 1.00 33.00 C ATOM 1155 CG PHE A 83 -12.194 1.158 9.159 1.00 54.02 C ATOM 1156 CD1 PHE A 83 -11.612 -0.078 9.394 1.00 25.23 C ATOM 1157 CD2 PHE A 83 -12.729 1.856 10.229 1.00 62.30 C ATOM 1158 CE1 PHE A 83 -11.570 -0.608 10.669 1.00 54.14 C ATOM 1159 CE2 PHE A 83 -12.688 1.332 11.508 1.00 11.11 C ATOM 1160 CZ PHE A 83 -12.106 0.099 11.728 1.00 65.40 C ATOM 0 H PHE A 83 -15.388 1.580 7.835 1.00 30.42 H new ATOM 0 HA PHE A 83 -13.318 1.512 5.925 1.00 44.12 H new ATOM 0 HB2 PHE A 83 -11.354 1.409 7.225 1.00 33.00 H new ATOM 0 HB3 PHE A 83 -12.198 2.818 7.835 1.00 33.00 H new ATOM 0 HD1 PHE A 83 -11.187 -0.633 8.571 1.00 25.23 H new ATOM 0 HD2 PHE A 83 -13.184 2.821 10.062 1.00 62.30 H new ATOM 0 HE1 PHE A 83 -11.118 -1.574 10.838 1.00 54.14 H new ATOM 0 HE2 PHE A 83 -13.110 1.886 12.333 1.00 11.11 H new ATOM 0 HZ PHE A 83 -12.070 -0.312 12.726 1.00 65.40 H new ATOM 1170 N ASN A 84 -12.814 -0.992 6.738 1.00 40.41 N ATOM 1171 CA ASN A 84 -12.950 -2.440 6.857 1.00 65.35 C ATOM 1172 C ASN A 84 -11.757 -3.039 7.594 1.00 23.32 C ATOM 1173 O ASN A 84 -10.608 -2.825 7.213 1.00 15.40 O ATOM 1174 CB ASN A 84 -13.082 -3.075 5.472 1.00 35.44 C ATOM 1175 CG ASN A 84 -14.386 -2.712 4.790 1.00 25.34 C ATOM 1176 OD1 ASN A 84 -14.404 -2.331 3.620 1.00 33.21 O ATOM 1177 ND2 ASN A 84 -15.489 -2.829 5.521 1.00 74.52 N ATOM 0 H ASN A 84 -11.946 -0.685 6.300 1.00 40.41 H new ATOM 0 HA ASN A 84 -13.851 -2.650 7.432 1.00 65.35 H new ATOM 0 HB2 ASN A 84 -12.248 -2.755 4.848 1.00 35.44 H new ATOM 0 HB3 ASN A 84 -13.013 -4.159 5.565 1.00 35.44 H new ATOM 0 HD21 ASN A 84 -16.396 -2.599 5.116 1.00 74.52 H new ATOM 0 HD22 ASN A 84 -15.429 -3.149 6.488 1.00 74.52 H new ATOM 1184 N GLY A 85 -12.040 -3.795 8.651 1.00 50.13 N ATOM 1185 CA GLY A 85 -10.980 -4.415 9.425 1.00 2.30 C ATOM 1186 C GLY A 85 -11.147 -5.917 9.538 1.00 45.30 C ATOM 1187 O GLY A 85 -12.264 -6.431 9.469 1.00 43.10 O ATOM 0 H GLY A 85 -12.984 -3.989 8.985 1.00 50.13 H new ATOM 0 HA2 GLY A 85 -10.019 -4.193 8.962 1.00 2.30 H new ATOM 0 HA3 GLY A 85 -10.961 -3.979 10.424 1.00 2.30 H new ATOM 1191 N SER A 86 -10.036 -6.624 9.710 1.00 54.41 N ATOM 1192 CA SER A 86 -10.063 -8.077 9.826 1.00 52.04 C ATOM 1193 C SER A 86 -9.900 -8.508 11.281 1.00 43.22 C ATOM 1194 O SER A 86 -8.824 -8.377 11.863 1.00 43.11 O ATOM 1195 CB SER A 86 -8.958 -8.699 8.971 1.00 32.44 C ATOM 1196 OG SER A 86 -9.492 -9.292 7.800 1.00 32.21 O ATOM 0 H SER A 86 -9.104 -6.214 9.772 1.00 54.41 H new ATOM 0 HA SER A 86 -11.030 -8.428 9.467 1.00 52.04 H new ATOM 0 HB2 SER A 86 -8.232 -7.934 8.696 1.00 32.44 H new ATOM 0 HB3 SER A 86 -8.424 -9.451 9.552 1.00 32.44 H new ATOM 0 HG SER A 86 -8.765 -9.681 7.270 1.00 32.21 H new ATOM 1202 N GLY A 87 -10.979 -9.024 11.863 1.00 52.43 N ATOM 1203 CA GLY A 87 -10.936 -9.467 13.245 1.00 41.45 C ATOM 1204 C GLY A 87 -12.295 -9.409 13.914 1.00 71.21 C ATOM 1205 O GLY A 87 -13.336 -9.418 13.257 1.00 52.11 O ATOM 0 H GLY A 87 -11.881 -9.143 11.403 1.00 52.43 H new ATOM 0 HA2 GLY A 87 -10.558 -10.489 13.284 1.00 41.45 H new ATOM 0 HA3 GLY A 87 -10.234 -8.846 13.801 1.00 41.45 H new ATOM 1209 N PRO A 88 -12.296 -9.350 15.254 1.00 45.23 N ATOM 1210 CA PRO A 88 -13.530 -9.290 16.042 1.00 61.33 C ATOM 1211 C PRO A 88 -14.255 -7.958 15.886 1.00 23.14 C ATOM 1212 O PRO A 88 -15.484 -7.909 15.848 1.00 32.15 O ATOM 1213 CB PRO A 88 -13.040 -9.466 17.483 1.00 3.01 C ATOM 1214 CG PRO A 88 -11.630 -8.987 17.464 1.00 3.13 C ATOM 1215 CD PRO A 88 -11.093 -9.335 16.103 1.00 71.00 C ATOM 0 HA PRO A 88 -14.251 -10.044 15.726 1.00 61.33 H new ATOM 0 HB2 PRO A 88 -13.645 -8.887 18.181 1.00 3.01 H new ATOM 0 HB3 PRO A 88 -13.100 -10.508 17.797 1.00 3.01 H new ATOM 0 HG2 PRO A 88 -11.580 -7.912 17.640 1.00 3.13 H new ATOM 0 HG3 PRO A 88 -11.044 -9.466 18.249 1.00 3.13 H new ATOM 0 HD2 PRO A 88 -10.367 -8.599 15.758 1.00 71.00 H new ATOM 0 HD3 PRO A 88 -10.591 -10.302 16.105 1.00 71.00 H new ATOM 1223 N GLY A 89 -13.486 -6.877 15.793 1.00 34.43 N ATOM 1224 CA GLY A 89 -14.073 -5.559 15.640 1.00 73.44 C ATOM 1225 C GLY A 89 -14.405 -4.915 16.972 1.00 5.13 C ATOM 1226 O GLY A 89 -15.310 -4.084 17.059 1.00 2.33 O ATOM 0 H GLY A 89 -12.466 -6.891 15.821 1.00 34.43 H new ATOM 0 HA2 GLY A 89 -13.382 -4.918 15.092 1.00 73.44 H new ATOM 0 HA3 GLY A 89 -14.980 -5.636 15.041 1.00 73.44 H new ATOM 1230 N SER A 90 -13.673 -5.298 18.013 1.00 12.43 N ATOM 1231 CA SER A 90 -13.898 -4.756 19.347 1.00 53.31 C ATOM 1232 C SER A 90 -12.727 -3.881 19.782 1.00 63.02 C ATOM 1233 O SER A 90 -11.862 -4.296 20.555 1.00 3.32 O ATOM 1234 CB SER A 90 -14.104 -5.890 20.353 1.00 71.40 C ATOM 1235 OG SER A 90 -15.482 -6.116 20.593 1.00 71.15 O ATOM 0 H SER A 90 -12.919 -5.982 17.958 1.00 12.43 H new ATOM 0 HA SER A 90 -14.797 -4.140 19.316 1.00 53.31 H new ATOM 0 HB2 SER A 90 -13.643 -6.803 19.976 1.00 71.40 H new ATOM 0 HB3 SER A 90 -13.604 -5.644 21.290 1.00 71.40 H new ATOM 0 HG SER A 90 -15.586 -6.847 21.238 1.00 71.15 H new ATOM 1241 N PRO A 91 -12.697 -2.639 19.276 1.00 0.41 N ATOM 1242 CA PRO A 91 -11.638 -1.678 19.599 1.00 52.41 C ATOM 1243 C PRO A 91 -11.715 -1.193 21.042 1.00 4.25 C ATOM 1244 O PRO A 91 -12.677 -1.483 21.754 1.00 41.43 O ATOM 1245 CB PRO A 91 -11.901 -0.522 18.631 1.00 65.20 C ATOM 1246 CG PRO A 91 -13.356 -0.613 18.319 1.00 54.41 C ATOM 1247 CD PRO A 91 -13.694 -2.078 18.350 1.00 24.21 C ATOM 0 HA PRO A 91 -10.645 -2.117 19.500 1.00 52.41 H new ATOM 0 HB2 PRO A 91 -11.652 0.438 19.084 1.00 65.20 H new ATOM 0 HB3 PRO A 91 -11.296 -0.615 17.729 1.00 65.20 H new ATOM 0 HG2 PRO A 91 -13.947 -0.060 19.049 1.00 54.41 H new ATOM 0 HG3 PRO A 91 -13.573 -0.183 17.341 1.00 54.41 H new ATOM 0 HD2 PRO A 91 -14.711 -2.248 18.703 1.00 24.21 H new ATOM 0 HD3 PRO A 91 -13.621 -2.528 17.360 1.00 24.21 H new ATOM 1255 N SER A 92 -10.697 -0.452 21.468 1.00 34.04 N ATOM 1256 CA SER A 92 -10.648 0.069 22.828 1.00 44.34 C ATOM 1257 C SER A 92 -9.916 1.408 22.870 1.00 31.21 C ATOM 1258 O SER A 92 -9.308 1.826 21.886 1.00 44.35 O ATOM 1259 CB SER A 92 -9.958 -0.931 23.758 1.00 25.24 C ATOM 1260 OG SER A 92 -10.794 -2.046 24.015 1.00 33.11 O ATOM 0 H SER A 92 -9.895 -0.199 20.890 1.00 34.04 H new ATOM 0 HA SER A 92 -11.672 0.222 23.168 1.00 44.34 H new ATOM 0 HB2 SER A 92 -9.025 -1.268 23.307 1.00 25.24 H new ATOM 0 HB3 SER A 92 -9.700 -0.441 24.697 1.00 25.24 H new ATOM 0 HG SER A 92 -11.598 -1.987 23.458 1.00 33.11 H new ATOM 1266 N ASN A 93 -9.980 2.074 24.019 1.00 52.52 N ATOM 1267 CA ASN A 93 -9.324 3.366 24.190 1.00 41.12 C ATOM 1268 C ASN A 93 -9.766 4.349 23.110 1.00 22.33 C ATOM 1269 O ASN A 93 -8.937 4.957 22.432 1.00 61.41 O ATOM 1270 CB ASN A 93 -7.804 3.198 24.151 1.00 55.31 C ATOM 1271 CG ASN A 93 -7.264 2.527 25.399 1.00 22.20 C ATOM 1272 OD1 ASN A 93 -6.453 3.102 26.126 1.00 40.14 O ATOM 1273 ND2 ASN A 93 -7.712 1.303 25.653 1.00 63.55 N ATOM 0 H ASN A 93 -10.479 1.741 24.844 1.00 52.52 H new ATOM 0 HA ASN A 93 -9.614 3.767 25.161 1.00 41.12 H new ATOM 0 HB2 ASN A 93 -7.529 2.608 23.277 1.00 55.31 H new ATOM 0 HB3 ASN A 93 -7.336 4.176 24.036 1.00 55.31 H new ATOM 0 HD21 ASN A 93 -7.384 0.801 26.478 1.00 63.55 H new ATOM 0 HD22 ASN A 93 -8.384 0.865 25.023 1.00 63.55 H new ATOM 1280 N CYS A 94 -11.077 4.499 22.956 1.00 63.21 N ATOM 1281 CA CYS A 94 -11.630 5.407 21.958 1.00 44.35 C ATOM 1282 C CYS A 94 -11.350 6.859 22.331 1.00 43.42 C ATOM 1283 O CYS A 94 -12.124 7.487 23.054 1.00 60.14 O ATOM 1284 CB CYS A 94 -13.137 5.186 21.816 1.00 62.14 C ATOM 1285 SG CYS A 94 -13.615 3.451 21.647 1.00 21.44 S ATOM 0 H CYS A 94 -11.776 4.004 23.509 1.00 63.21 H new ATOM 0 HA CYS A 94 -11.148 5.196 21.003 1.00 44.35 H new ATOM 0 HB2 CYS A 94 -13.639 5.607 22.687 1.00 62.14 H new ATOM 0 HB3 CYS A 94 -13.494 5.737 20.946 1.00 62.14 H new ATOM 0 HG CYS A 94 -14.907 3.366 21.535 1.00 21.44 H new ATOM 1291 N LYS A 95 -10.238 7.388 21.832 1.00 45.33 N ATOM 1292 CA LYS A 95 -9.853 8.767 22.112 1.00 62.44 C ATOM 1293 C LYS A 95 -9.682 9.557 20.818 1.00 73.23 C ATOM 1294 O LYS A 95 -9.214 9.025 19.812 1.00 4.13 O ATOM 1295 CB LYS A 95 -8.554 8.802 22.920 1.00 71.32 C ATOM 1296 CG LYS A 95 -7.359 8.234 22.175 1.00 50.20 C ATOM 1297 CD LYS A 95 -6.863 6.947 22.813 1.00 63.43 C ATOM 1298 CE LYS A 95 -5.589 7.176 23.609 1.00 75.13 C ATOM 1299 NZ LYS A 95 -4.390 7.253 22.728 1.00 31.50 N ATOM 0 H LYS A 95 -9.587 6.883 21.231 1.00 45.33 H new ATOM 0 HA LYS A 95 -10.649 9.229 22.696 1.00 62.44 H new ATOM 0 HB2 LYS A 95 -8.339 9.833 23.202 1.00 71.32 H new ATOM 0 HB3 LYS A 95 -8.695 8.241 23.844 1.00 71.32 H new ATOM 0 HG2 LYS A 95 -7.633 8.044 21.137 1.00 50.20 H new ATOM 0 HG3 LYS A 95 -6.554 8.969 22.163 1.00 50.20 H new ATOM 0 HD2 LYS A 95 -7.635 6.543 23.468 1.00 63.43 H new ATOM 0 HD3 LYS A 95 -6.681 6.202 22.038 1.00 63.43 H new ATOM 0 HE2 LYS A 95 -5.679 8.100 24.181 1.00 75.13 H new ATOM 0 HE3 LYS A 95 -5.460 6.367 24.328 1.00 75.13 H new ATOM 0 HZ1 LYS A 95 -3.542 7.410 23.309 1.00 31.50 H new ATOM 0 HZ2 LYS A 95 -4.289 6.362 22.201 1.00 31.50 H new ATOM 0 HZ3 LYS A 95 -4.501 8.041 22.058 1.00 31.50 H new ATOM 1313 N LEU A 96 -10.061 10.830 20.854 1.00 3.43 N ATOM 1314 CA LEU A 96 -9.947 11.695 19.684 1.00 73.42 C ATOM 1315 C LEU A 96 -9.602 13.123 20.095 1.00 12.52 C ATOM 1316 O LEU A 96 -9.862 13.535 21.224 1.00 3.01 O ATOM 1317 CB LEU A 96 -11.252 11.682 18.888 1.00 5.21 C ATOM 1318 CG LEU A 96 -12.417 12.466 19.494 1.00 73.41 C ATOM 1319 CD1 LEU A 96 -12.735 13.690 18.649 1.00 34.51 C ATOM 1320 CD2 LEU A 96 -13.644 11.577 19.632 1.00 53.21 C ATOM 0 H LEU A 96 -10.450 11.286 21.680 1.00 3.43 H new ATOM 0 HA LEU A 96 -9.142 11.313 19.056 1.00 73.42 H new ATOM 0 HB2 LEU A 96 -11.051 12.080 17.893 1.00 5.21 H new ATOM 0 HB3 LEU A 96 -11.565 10.646 18.760 1.00 5.21 H new ATOM 0 HG LEU A 96 -12.124 12.803 20.488 1.00 73.41 H new ATOM 0 HD11 LEU A 96 -13.566 14.235 19.096 1.00 34.51 H new ATOM 0 HD12 LEU A 96 -11.860 14.338 18.603 1.00 34.51 H new ATOM 0 HD13 LEU A 96 -13.007 13.376 17.641 1.00 34.51 H new ATOM 0 HD21 LEU A 96 -14.463 12.152 20.065 1.00 53.21 H new ATOM 0 HD22 LEU A 96 -13.939 11.209 18.649 1.00 53.21 H new ATOM 0 HD23 LEU A 96 -13.411 10.733 20.281 1.00 53.21 H new ATOM 1332 N ASN A 97 -9.014 13.874 19.168 1.00 0.45 N ATOM 1333 CA ASN A 97 -8.635 15.257 19.432 1.00 34.21 C ATOM 1334 C ASN A 97 -7.527 15.326 20.479 1.00 32.51 C ATOM 1335 O ASN A 97 -7.459 16.270 21.264 1.00 53.11 O ATOM 1336 CB ASN A 97 -9.849 16.059 19.905 1.00 3.04 C ATOM 1337 CG ASN A 97 -9.674 17.550 19.692 1.00 71.14 C ATOM 1338 OD1 ASN A 97 -9.232 18.269 20.590 1.00 4.12 O ATOM 1339 ND2 ASN A 97 -10.021 18.023 18.500 1.00 60.35 N ATOM 0 H ASN A 97 -8.790 13.547 18.228 1.00 0.45 H new ATOM 0 HA ASN A 97 -8.262 15.689 18.504 1.00 34.21 H new ATOM 0 HB2 ASN A 97 -10.736 15.720 19.370 1.00 3.04 H new ATOM 0 HB3 ASN A 97 -10.021 15.863 20.963 1.00 3.04 H new ATOM 0 HD21 ASN A 97 -9.926 19.018 18.299 1.00 60.35 H new ATOM 0 HD22 ASN A 97 -10.383 17.391 17.786 1.00 60.35 H new ATOM 1346 N GLY A 98 -6.660 14.318 20.484 1.00 4.04 N ATOM 1347 CA GLY A 98 -5.567 14.283 21.437 1.00 20.11 C ATOM 1348 C GLY A 98 -6.023 13.895 22.829 1.00 30.31 C ATOM 1349 O GLY A 98 -5.592 14.484 23.820 1.00 12.53 O ATOM 0 H GLY A 98 -6.696 13.524 19.844 1.00 4.04 H new ATOM 0 HA2 GLY A 98 -4.813 13.574 21.094 1.00 20.11 H new ATOM 0 HA3 GLY A 98 -5.090 15.262 21.474 1.00 20.11 H new ATOM 1353 N GLY A 99 -6.902 12.898 22.906 1.00 42.34 N ATOM 1354 CA GLY A 99 -7.404 12.450 24.191 1.00 21.01 C ATOM 1355 C GLY A 99 -8.706 13.127 24.574 1.00 55.42 C ATOM 1356 O GLY A 99 -8.734 13.968 25.473 1.00 4.11 O ATOM 0 H GLY A 99 -7.274 12.394 22.101 1.00 42.34 H new ATOM 0 HA2 GLY A 99 -7.554 11.371 24.163 1.00 21.01 H new ATOM 0 HA3 GLY A 99 -6.656 12.648 24.959 1.00 21.01 H new ATOM 1360 N SER A 100 -9.784 12.763 23.889 1.00 11.22 N ATOM 1361 CA SER A 100 -11.093 13.346 24.158 1.00 23.21 C ATOM 1362 C SER A 100 -12.209 12.411 23.698 1.00 73.01 C ATOM 1363 O SER A 100 -12.194 11.918 22.570 1.00 25.22 O ATOM 1364 CB SER A 100 -11.227 14.700 23.457 1.00 73.44 C ATOM 1365 OG SER A 100 -12.039 14.598 22.302 1.00 25.31 O ATOM 0 H SER A 100 -9.777 12.067 23.143 1.00 11.22 H new ATOM 0 HA SER A 100 -11.184 13.492 25.234 1.00 23.21 H new ATOM 0 HB2 SER A 100 -11.657 15.428 24.145 1.00 73.44 H new ATOM 0 HB3 SER A 100 -10.239 15.069 23.180 1.00 73.44 H new ATOM 0 HG SER A 100 -11.475 14.425 21.520 1.00 25.31 H new ATOM 1371 N CYS A 101 -13.173 12.173 24.581 1.00 12.14 N ATOM 1372 CA CYS A 101 -14.296 11.296 24.267 1.00 55.25 C ATOM 1373 C CYS A 101 -15.244 11.182 25.457 1.00 43.20 C ATOM 1374 O CYS A 101 -14.825 11.286 26.610 1.00 12.43 O ATOM 1375 CB CYS A 101 -13.792 9.909 23.867 1.00 1.52 C ATOM 1376 SG CYS A 101 -14.600 9.225 22.402 1.00 2.11 S ATOM 0 H CYS A 101 -13.200 12.574 25.518 1.00 12.14 H new ATOM 0 HA CYS A 101 -14.842 11.731 23.430 1.00 55.25 H new ATOM 0 HB2 CYS A 101 -12.719 9.963 23.685 1.00 1.52 H new ATOM 0 HB3 CYS A 101 -13.940 9.225 24.703 1.00 1.52 H new ATOM 0 HG CYS A 101 -13.942 8.182 21.990 1.00 2.11 H new ATOM 1382 N ASP A 102 -16.523 10.970 25.168 1.00 41.44 N ATOM 1383 CA ASP A 102 -17.532 10.843 26.214 1.00 54.11 C ATOM 1384 C ASP A 102 -18.342 9.563 26.034 1.00 5.42 C ATOM 1385 O ASP A 102 -19.359 9.553 25.340 1.00 35.12 O ATOM 1386 CB ASP A 102 -18.463 12.056 26.206 1.00 12.53 C ATOM 1387 CG ASP A 102 -19.236 12.202 27.501 1.00 20.10 C ATOM 1388 OD1 ASP A 102 -19.098 11.321 28.376 1.00 51.44 O ATOM 1389 OD2 ASP A 102 -19.979 13.196 27.641 1.00 65.12 O ATOM 0 H ASP A 102 -16.886 10.882 24.219 1.00 41.44 H new ATOM 0 HA ASP A 102 -17.019 10.796 27.175 1.00 54.11 H new ATOM 0 HB2 ASP A 102 -17.877 12.959 26.033 1.00 12.53 H new ATOM 0 HB3 ASP A 102 -19.164 11.967 25.376 1.00 12.53 H new ATOM 1394 N GLY A 103 -17.885 8.485 26.662 1.00 31.05 N ATOM 1395 CA GLY A 103 -18.580 7.214 26.557 1.00 54.22 C ATOM 1396 C GLY A 103 -17.748 6.155 25.861 1.00 33.03 C ATOM 1397 O GLY A 103 -18.282 5.298 25.156 1.00 63.12 O ATOM 0 H GLY A 103 -17.046 8.468 27.242 1.00 31.05 H new ATOM 0 HA2 GLY A 103 -18.846 6.865 27.555 1.00 54.22 H new ATOM 0 HA3 GLY A 103 -19.512 7.357 26.010 1.00 54.22 H new ATOM 1401 N THR A 104 -16.434 6.213 26.056 1.00 41.43 N ATOM 1402 CA THR A 104 -15.527 5.254 25.439 1.00 72.22 C ATOM 1403 C THR A 104 -15.511 3.939 26.211 1.00 12.21 C ATOM 1404 O THR A 104 -15.931 3.880 27.365 1.00 73.54 O ATOM 1405 CB THR A 104 -14.091 5.808 25.363 1.00 12.43 C ATOM 1406 OG1 THR A 104 -13.212 4.817 24.819 1.00 32.33 O ATOM 1407 CG2 THR A 104 -13.599 6.230 26.738 1.00 22.21 C ATOM 0 H THR A 104 -15.975 6.915 26.637 1.00 41.43 H new ATOM 0 HA THR A 104 -15.894 5.076 24.428 1.00 72.22 H new ATOM 0 HB THR A 104 -14.097 6.683 24.714 1.00 12.43 H new ATOM 0 HG1 THR A 104 -12.312 4.940 25.188 1.00 32.33 H new ATOM 0 HG21 THR A 104 -12.583 6.617 26.658 1.00 22.21 H new ATOM 0 HG22 THR A 104 -14.253 7.006 27.136 1.00 22.21 H new ATOM 0 HG23 THR A 104 -13.607 5.370 27.407 1.00 22.21 H new ATOM 1415 N SER A 105 -15.021 2.885 25.564 1.00 43.21 N ATOM 1416 CA SER A 105 -14.954 1.570 26.188 1.00 33.31 C ATOM 1417 C SER A 105 -13.530 1.024 26.152 1.00 11.14 C ATOM 1418 O SER A 105 -12.642 1.619 25.544 1.00 71.42 O ATOM 1419 CB SER A 105 -15.903 0.598 25.484 1.00 1.00 C ATOM 1420 OG SER A 105 -16.527 -0.270 26.415 1.00 25.14 O ATOM 0 H SER A 105 -14.665 2.917 24.609 1.00 43.21 H new ATOM 0 HA SER A 105 -15.259 1.674 27.229 1.00 33.31 H new ATOM 0 HB2 SER A 105 -16.663 1.158 24.938 1.00 1.00 H new ATOM 0 HB3 SER A 105 -15.350 0.012 24.750 1.00 1.00 H new ATOM 0 HG SER A 105 -17.130 -0.880 25.940 1.00 25.14 H new TER 1426 SER A 105