USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 636 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 61 HIS : no HD1:sc= -1.42 K(o=-1.6,f=-6.5!) USER MOD Set 1.2: A 63 THR OG1 : rot -149:sc= -0.217 USER MOD Set 2.1: A 11 THR OG1 : rot 68:sc= 1.34 USER MOD Set 2.2: A 21 SER OG : rot 94:sc= 0.656 USER MOD Single : A 5 THR OG1 : rot -26:sc= 0.302 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 0.106 (180deg=-0.492) 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= -2.11! C(o=-2.1!,f=-2.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.014 USER MOD Single : A 33 SER OG : rot -72:sc= 1.19 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 45 THR OG1 : rot 79:sc= -0.313 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00593) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 70 ASN : amide:sc= -2.28 K(o=-2.3,f=-3.4) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 30:sc= 0.108 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00539 USER MOD Single : A 84 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.9!) 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 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 94 CYS SG : rot -107:sc= 0.879 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.404 K(o=-0.4,f=-0.94) USER MOD Single : A 100 SER OG : rot 76:sc= 0.114 USER MOD Single : A 101 CYS SG : rot -130:sc= -0.398 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.496 15.163 20.544 1.00 64.10 N ATOM 47 CA THR A 5 -17.839 13.830 21.021 1.00 23.40 C ATOM 48 C THR A 5 -17.852 12.822 19.878 1.00 73.30 C ATOM 49 O THR A 5 -18.082 13.181 18.724 1.00 63.23 O ATOM 50 CB THR A 5 -19.215 13.819 21.716 1.00 0.43 C ATOM 51 OG1 THR A 5 -20.155 14.584 20.952 1.00 3.15 O ATOM 52 CG2 THR A 5 -19.116 14.387 23.123 1.00 30.22 C ATOM 0 HA THR A 5 -17.073 13.546 21.742 1.00 23.40 H new ATOM 0 HB THR A 5 -19.556 12.786 21.782 1.00 0.43 H new ATOM 0 HG1 THR A 5 -19.678 15.263 20.431 1.00 3.15 H new ATOM 0 HG21 THR A 5 -20.099 14.369 23.593 1.00 30.22 H new ATOM 0 HG22 THR A 5 -18.422 13.786 23.710 1.00 30.22 H new ATOM 0 HG23 THR A 5 -18.755 15.415 23.076 1.00 30.22 H new ATOM 60 N ALA A 6 -17.601 11.559 20.207 1.00 62.41 N ATOM 61 CA ALA A 6 -17.586 10.498 19.207 1.00 13.12 C ATOM 62 C ALA A 6 -18.184 9.211 19.764 1.00 31.35 C ATOM 63 O ALA A 6 -18.329 9.054 20.976 1.00 61.33 O ATOM 64 CB ALA A 6 -16.166 10.255 18.717 1.00 64.33 C ATOM 0 H ALA A 6 -17.405 11.246 21.158 1.00 62.41 H new ATOM 0 HA ALA A 6 -18.199 10.817 18.364 1.00 13.12 H new ATOM 0 HB1 ALA A 6 -16.170 9.460 17.971 1.00 64.33 H new ATOM 0 HB2 ALA A 6 -15.773 11.169 18.272 1.00 64.33 H new ATOM 0 HB3 ALA A 6 -15.537 9.961 19.557 1.00 64.33 H new ATOM 70 N THR A 7 -18.530 8.289 18.870 1.00 43.11 N ATOM 71 CA THR A 7 -19.114 7.016 19.272 1.00 1.44 C ATOM 72 C THR A 7 -18.770 5.914 18.275 1.00 52.52 C ATOM 73 O THR A 7 -18.634 6.167 17.077 1.00 55.32 O ATOM 74 CB THR A 7 -20.646 7.116 19.399 1.00 75.20 C ATOM 75 OG1 THR A 7 -21.011 8.396 19.927 1.00 45.42 O ATOM 76 CG2 THR A 7 -21.186 6.017 20.302 1.00 74.25 C ATOM 0 H THR A 7 -18.416 8.401 17.863 1.00 43.11 H new ATOM 0 HA THR A 7 -18.691 6.768 20.245 1.00 1.44 H new ATOM 0 HB THR A 7 -21.080 6.996 18.406 1.00 75.20 H new ATOM 0 HG1 THR A 7 -21.986 8.452 20.003 1.00 45.42 H new ATOM 0 HG21 THR A 7 -22.270 6.107 20.377 1.00 74.25 H new ATOM 0 HG22 THR A 7 -20.931 5.044 19.883 1.00 74.25 H new ATOM 0 HG23 THR A 7 -20.745 6.112 21.294 1.00 74.25 H new ATOM 84 N PHE A 8 -18.631 4.692 18.776 1.00 73.10 N ATOM 85 CA PHE A 8 -18.303 3.551 17.929 1.00 13.11 C ATOM 86 C PHE A 8 -19.568 2.900 17.379 1.00 20.14 C ATOM 87 O PHE A 8 -20.603 2.869 18.044 1.00 50.13 O ATOM 88 CB PHE A 8 -17.487 2.523 18.717 1.00 2.52 C ATOM 89 CG PHE A 8 -17.266 1.237 17.972 1.00 60.31 C ATOM 90 CD1 PHE A 8 -16.368 1.176 16.919 1.00 23.43 C ATOM 91 CD2 PHE A 8 -17.957 0.089 18.327 1.00 2.33 C ATOM 92 CE1 PHE A 8 -16.162 -0.007 16.233 1.00 23.34 C ATOM 93 CE2 PHE A 8 -17.756 -1.096 17.645 1.00 50.45 C ATOM 94 CZ PHE A 8 -16.858 -1.144 16.596 1.00 44.33 C ATOM 0 H PHE A 8 -18.740 4.466 19.765 1.00 73.10 H new ATOM 0 HA PHE A 8 -17.708 3.912 17.090 1.00 13.11 H new ATOM 0 HB2 PHE A 8 -16.520 2.957 18.973 1.00 2.52 H new ATOM 0 HB3 PHE A 8 -17.998 2.307 19.655 1.00 2.52 H new ATOM 0 HD1 PHE A 8 -15.823 2.062 16.630 1.00 23.43 H new ATOM 0 HD2 PHE A 8 -18.660 0.121 19.146 1.00 2.33 H new ATOM 0 HE1 PHE A 8 -15.458 -0.042 15.415 1.00 23.34 H new ATOM 0 HE2 PHE A 8 -18.300 -1.984 17.932 1.00 50.45 H new ATOM 0 HZ PHE A 8 -16.700 -2.069 16.061 1.00 44.33 H new ATOM 104 N ALA A 9 -19.476 2.381 16.159 1.00 32.32 N ATOM 105 CA ALA A 9 -20.612 1.728 15.519 1.00 61.14 C ATOM 106 C ALA A 9 -20.157 0.568 14.641 1.00 55.23 C ATOM 107 O ALA A 9 -18.980 0.464 14.294 1.00 32.12 O ATOM 108 CB ALA A 9 -21.404 2.735 14.699 1.00 23.42 C ATOM 0 H ALA A 9 -18.627 2.400 15.594 1.00 32.32 H new ATOM 0 HA ALA A 9 -21.256 1.325 16.301 1.00 61.14 H new ATOM 0 HB1 ALA A 9 -22.249 2.235 14.226 1.00 23.42 H new ATOM 0 HB2 ALA A 9 -21.770 3.528 15.351 1.00 23.42 H new ATOM 0 HB3 ALA A 9 -20.761 3.165 13.931 1.00 23.42 H new ATOM 114 N LYS A 10 -21.095 -0.302 14.284 1.00 14.11 N ATOM 115 CA LYS A 10 -20.790 -1.455 13.445 1.00 71.51 C ATOM 116 C LYS A 10 -21.390 -1.288 12.053 1.00 32.43 C ATOM 117 O LYS A 10 -22.521 -0.825 11.903 1.00 73.35 O ATOM 118 CB LYS A 10 -21.321 -2.736 14.091 1.00 33.24 C ATOM 119 CG LYS A 10 -20.234 -3.613 14.690 1.00 41.25 C ATOM 120 CD LYS A 10 -19.303 -4.154 13.620 1.00 12.24 C ATOM 121 CE LYS A 10 -20.026 -5.111 12.683 1.00 54.44 C ATOM 122 NZ LYS A 10 -20.712 -6.203 13.427 1.00 60.44 N ATOM 0 H LYS A 10 -22.074 -0.231 14.563 1.00 14.11 H new ATOM 0 HA LYS A 10 -19.707 -1.527 13.348 1.00 71.51 H new ATOM 0 HB2 LYS A 10 -22.033 -2.470 14.872 1.00 33.24 H new ATOM 0 HB3 LYS A 10 -21.868 -3.310 13.343 1.00 33.24 H new ATOM 0 HG2 LYS A 10 -19.660 -3.038 15.416 1.00 41.25 H new ATOM 0 HG3 LYS A 10 -20.691 -4.443 15.230 1.00 41.25 H new ATOM 0 HD2 LYS A 10 -18.887 -3.326 13.046 1.00 12.24 H new ATOM 0 HD3 LYS A 10 -18.465 -4.668 14.091 1.00 12.24 H new ATOM 0 HE2 LYS A 10 -20.757 -4.558 12.093 1.00 54.44 H new ATOM 0 HE3 LYS A 10 -19.311 -5.542 11.982 1.00 54.44 H new ATOM 0 HZ1 LYS A 10 -20.821 -7.031 12.807 1.00 60.44 H new ATOM 0 HZ2 LYS A 10 -20.146 -6.465 14.259 1.00 60.44 H new ATOM 0 HZ3 LYS A 10 -21.650 -5.877 13.736 1.00 60.44 H new ATOM 136 N THR A 11 -20.626 -1.671 11.034 1.00 70.32 N ATOM 137 CA THR A 11 -21.082 -1.564 9.654 1.00 61.31 C ATOM 138 C THR A 11 -21.536 -2.918 9.119 1.00 43.24 C ATOM 139 O THR A 11 -22.696 -3.090 8.743 1.00 74.21 O ATOM 140 CB THR A 11 -19.976 -1.007 8.738 1.00 20.25 C ATOM 141 OG1 THR A 11 -19.191 -0.044 9.448 1.00 75.05 O ATOM 142 CG2 THR A 11 -20.574 -0.366 7.496 1.00 4.52 C ATOM 0 H THR A 11 -19.688 -2.058 11.139 1.00 70.32 H new ATOM 0 HA THR A 11 -21.926 -0.874 9.652 1.00 61.31 H new ATOM 0 HB THR A 11 -19.340 -1.836 8.428 1.00 20.25 H new ATOM 0 HG1 THR A 11 -18.679 -0.494 10.152 1.00 75.05 H new ATOM 0 HG21 THR A 11 -19.774 0.020 6.865 1.00 4.52 H new ATOM 0 HG22 THR A 11 -21.146 -1.110 6.942 1.00 4.52 H new ATOM 0 HG23 THR A 11 -21.231 0.452 7.790 1.00 4.52 H new ATOM 150 N SER A 12 -20.615 -3.876 9.088 1.00 1.22 N ATOM 151 CA SER A 12 -20.921 -5.214 8.596 1.00 64.24 C ATOM 152 C SER A 12 -19.703 -6.126 8.708 1.00 45.34 C ATOM 153 O SER A 12 -18.601 -5.761 8.298 1.00 55.13 O ATOM 154 CB SER A 12 -21.392 -5.150 7.142 1.00 31.04 C ATOM 155 OG SER A 12 -20.960 -6.288 6.415 1.00 63.44 O ATOM 0 H SER A 12 -19.651 -3.750 9.398 1.00 1.22 H new ATOM 0 HA SER A 12 -21.720 -5.627 9.212 1.00 64.24 H new ATOM 0 HB2 SER A 12 -22.480 -5.086 7.111 1.00 31.04 H new ATOM 0 HB3 SER A 12 -21.006 -4.246 6.671 1.00 31.04 H new ATOM 0 HG SER A 12 -21.275 -6.224 5.489 1.00 63.44 H new ATOM 161 N ASP A 13 -19.910 -7.313 9.266 1.00 74.42 N ATOM 162 CA ASP A 13 -18.830 -8.279 9.433 1.00 4.31 C ATOM 163 C ASP A 13 -19.116 -9.554 8.647 1.00 34.31 C ATOM 164 O ASP A 13 -20.180 -10.156 8.787 1.00 62.43 O ATOM 165 CB ASP A 13 -18.636 -8.610 10.914 1.00 64.02 C ATOM 166 CG ASP A 13 -19.864 -9.253 11.528 1.00 44.33 C ATOM 167 OD1 ASP A 13 -20.958 -8.658 11.431 1.00 2.43 O ATOM 168 OD2 ASP A 13 -19.731 -10.351 12.106 1.00 61.32 O ATOM 0 H ASP A 13 -20.816 -7.630 9.611 1.00 74.42 H new ATOM 0 HA ASP A 13 -17.914 -7.833 9.046 1.00 4.31 H new ATOM 0 HB2 ASP A 13 -17.784 -9.281 11.025 1.00 64.02 H new ATOM 0 HB3 ASP A 13 -18.396 -7.697 11.459 1.00 64.02 H new ATOM 173 N TRP A 14 -18.159 -9.960 7.820 1.00 24.44 N ATOM 174 CA TRP A 14 -18.309 -11.164 7.010 1.00 44.23 C ATOM 175 C TRP A 14 -17.359 -12.259 7.482 1.00 30.13 C ATOM 176 O TRP A 14 -16.239 -12.377 6.989 1.00 14.44 O ATOM 177 CB TRP A 14 -18.051 -10.848 5.537 1.00 11.42 C ATOM 178 CG TRP A 14 -16.801 -10.052 5.310 1.00 23.12 C ATOM 179 CD1 TRP A 14 -15.588 -10.529 4.901 1.00 45.41 C ATOM 180 CD2 TRP A 14 -16.641 -8.639 5.482 1.00 23.20 C ATOM 181 NE1 TRP A 14 -14.685 -9.498 4.809 1.00 11.53 N ATOM 182 CE2 TRP A 14 -15.306 -8.329 5.159 1.00 10.11 C ATOM 183 CE3 TRP A 14 -17.497 -7.607 5.876 1.00 32.12 C ATOM 184 CZ2 TRP A 14 -14.809 -7.029 5.219 1.00 14.00 C ATOM 185 CZ3 TRP A 14 -17.002 -6.318 5.935 1.00 70.23 C ATOM 186 CH2 TRP A 14 -15.668 -6.038 5.608 1.00 31.53 C ATOM 0 H TRP A 14 -17.272 -9.474 7.693 1.00 24.44 H new ATOM 0 HA TRP A 14 -19.332 -11.523 7.123 1.00 44.23 H new ATOM 0 HB2 TRP A 14 -17.985 -11.782 4.979 1.00 11.42 H new ATOM 0 HB3 TRP A 14 -18.902 -10.297 5.137 1.00 11.42 H new ATOM 0 HD1 TRP A 14 -15.371 -11.564 4.682 1.00 45.41 H new ATOM 0 HE1 TRP A 14 -13.709 -9.589 4.526 1.00 11.53 H new ATOM 0 HE3 TRP A 14 -18.526 -7.813 6.130 1.00 32.12 H new ATOM 0 HZ2 TRP A 14 -13.782 -6.811 4.967 1.00 14.00 H new ATOM 0 HZ3 TRP A 14 -17.654 -5.512 6.238 1.00 70.23 H new ATOM 0 HH2 TRP A 14 -15.311 -5.020 5.664 1.00 31.53 H new ATOM 197 N GLY A 15 -17.815 -13.060 8.441 1.00 52.13 N ATOM 198 CA GLY A 15 -16.992 -14.135 8.964 1.00 0.52 C ATOM 199 C GLY A 15 -15.883 -13.630 9.866 1.00 0.21 C ATOM 200 O GLY A 15 -16.082 -13.454 11.069 1.00 4.53 O ATOM 0 H GLY A 15 -18.740 -12.983 8.865 1.00 52.13 H new ATOM 0 HA2 GLY A 15 -17.620 -14.831 9.520 1.00 0.52 H new ATOM 0 HA3 GLY A 15 -16.556 -14.691 8.134 1.00 0.52 H new ATOM 204 N THR A 16 -14.709 -13.400 9.286 1.00 62.03 N ATOM 205 CA THR A 16 -13.563 -12.915 10.045 1.00 65.31 C ATOM 206 C THR A 16 -13.376 -11.414 9.860 1.00 30.30 C ATOM 207 O THR A 16 -12.689 -10.763 10.647 1.00 1.32 O ATOM 208 CB THR A 16 -12.268 -13.638 9.631 1.00 10.11 C ATOM 209 OG1 THR A 16 -11.178 -13.198 10.447 1.00 43.23 O ATOM 210 CG2 THR A 16 -11.949 -13.379 8.165 1.00 74.25 C ATOM 0 H THR A 16 -14.527 -13.542 8.292 1.00 62.03 H new ATOM 0 HA THR A 16 -13.768 -13.126 11.095 1.00 65.31 H new ATOM 0 HB THR A 16 -12.415 -14.709 9.771 1.00 10.11 H new ATOM 0 HG1 THR A 16 -10.359 -13.664 10.178 1.00 43.23 H new ATOM 0 HG21 THR A 16 -11.030 -13.900 7.895 1.00 74.25 H new ATOM 0 HG22 THR A 16 -12.768 -13.743 7.545 1.00 74.25 H new ATOM 0 HG23 THR A 16 -11.820 -12.309 8.004 1.00 74.25 H new ATOM 218 N GLY A 17 -13.992 -10.869 8.815 1.00 73.22 N ATOM 219 CA GLY A 17 -13.880 -9.447 8.546 1.00 24.41 C ATOM 220 C GLY A 17 -14.947 -8.638 9.257 1.00 2.04 C ATOM 221 O GLY A 17 -16.059 -9.118 9.473 1.00 4.11 O ATOM 0 H GLY A 17 -14.567 -11.387 8.150 1.00 73.22 H new ATOM 0 HA2 GLY A 17 -12.896 -9.098 8.857 1.00 24.41 H new ATOM 0 HA3 GLY A 17 -13.954 -9.276 7.472 1.00 24.41 H new ATOM 225 N PHE A 18 -14.607 -7.406 9.622 1.00 41.43 N ATOM 226 CA PHE A 18 -15.543 -6.528 10.314 1.00 4.13 C ATOM 227 C PHE A 18 -15.462 -5.106 9.768 1.00 10.11 C ATOM 228 O PHE A 18 -14.385 -4.626 9.413 1.00 63.43 O ATOM 229 CB PHE A 18 -15.257 -6.527 11.818 1.00 4.30 C ATOM 230 CG PHE A 18 -14.121 -5.627 12.210 1.00 45.43 C ATOM 231 CD1 PHE A 18 -12.822 -6.104 12.247 1.00 14.54 C ATOM 232 CD2 PHE A 18 -14.353 -4.301 12.543 1.00 43.02 C ATOM 233 CE1 PHE A 18 -11.773 -5.278 12.607 1.00 11.43 C ATOM 234 CE2 PHE A 18 -13.309 -3.470 12.904 1.00 31.35 C ATOM 235 CZ PHE A 18 -12.018 -3.960 12.937 1.00 71.01 C ATOM 0 H PHE A 18 -13.690 -6.993 9.450 1.00 41.43 H new ATOM 0 HA PHE A 18 -16.551 -6.906 10.143 1.00 4.13 H new ATOM 0 HB2 PHE A 18 -16.156 -6.217 12.351 1.00 4.30 H new ATOM 0 HB3 PHE A 18 -15.031 -7.544 12.138 1.00 4.30 H new ATOM 0 HD1 PHE A 18 -12.625 -7.135 11.991 1.00 14.54 H new ATOM 0 HD2 PHE A 18 -15.361 -3.913 12.520 1.00 43.02 H new ATOM 0 HE1 PHE A 18 -10.764 -5.663 12.630 1.00 11.43 H new ATOM 0 HE2 PHE A 18 -13.503 -2.439 13.160 1.00 31.35 H new ATOM 0 HZ PHE A 18 -11.201 -3.313 13.221 1.00 71.01 H new ATOM 245 N GLY A 19 -16.609 -4.437 9.701 1.00 64.42 N ATOM 246 CA GLY A 19 -16.646 -3.077 9.196 1.00 21.45 C ATOM 247 C GLY A 19 -16.795 -2.051 10.302 1.00 60.41 C ATOM 248 O GLY A 19 -17.854 -1.941 10.918 1.00 72.14 O ATOM 0 H GLY A 19 -17.513 -4.813 9.987 1.00 64.42 H new ATOM 0 HA2 GLY A 19 -15.732 -2.875 8.638 1.00 21.45 H new ATOM 0 HA3 GLY A 19 -17.475 -2.975 8.496 1.00 21.45 H new ATOM 252 N GLY A 20 -15.729 -1.299 10.557 1.00 32.03 N ATOM 253 CA GLY A 20 -15.765 -0.289 11.598 1.00 51.50 C ATOM 254 C GLY A 20 -16.452 0.985 11.145 1.00 22.34 C ATOM 255 O GLY A 20 -16.260 1.435 10.015 1.00 60.53 O ATOM 0 H GLY A 20 -14.841 -1.371 10.061 1.00 32.03 H new ATOM 0 HA2 GLY A 20 -16.284 -0.688 12.470 1.00 51.50 H new ATOM 0 HA3 GLY A 20 -14.747 -0.058 11.911 1.00 51.50 H new ATOM 259 N SER A 21 -17.257 1.567 12.029 1.00 32.21 N ATOM 260 CA SER A 21 -17.979 2.794 11.713 1.00 23.44 C ATOM 261 C SER A 21 -17.912 3.779 12.875 1.00 70.44 C ATOM 262 O SER A 21 -18.708 3.706 13.812 1.00 0.14 O ATOM 263 CB SER A 21 -19.440 2.478 11.380 1.00 51.24 C ATOM 264 OG SER A 21 -19.711 2.707 10.008 1.00 73.22 O ATOM 0 H SER A 21 -17.425 1.209 12.969 1.00 32.21 H new ATOM 0 HA SER A 21 -17.506 3.252 10.845 1.00 23.44 H new ATOM 0 HB2 SER A 21 -19.656 1.439 11.628 1.00 51.24 H new ATOM 0 HB3 SER A 21 -20.098 3.095 11.992 1.00 51.24 H new ATOM 0 HG SER A 21 -19.604 1.870 9.509 1.00 73.22 H new ATOM 270 N TRP A 22 -16.958 4.699 12.807 1.00 52.03 N ATOM 271 CA TRP A 22 -16.785 5.700 13.854 1.00 41.51 C ATOM 272 C TRP A 22 -17.606 6.949 13.552 1.00 54.13 C ATOM 273 O TRP A 22 -17.765 7.335 12.394 1.00 64.14 O ATOM 274 CB TRP A 22 -15.308 6.068 13.998 1.00 13.00 C ATOM 275 CG TRP A 22 -14.460 4.938 14.502 1.00 65.03 C ATOM 276 CD1 TRP A 22 -13.690 4.095 13.754 1.00 22.24 C ATOM 277 CD2 TRP A 22 -14.302 4.530 15.865 1.00 35.23 C ATOM 278 NE1 TRP A 22 -13.061 3.185 14.570 1.00 61.44 N ATOM 279 CE2 TRP A 22 -13.419 3.432 15.869 1.00 21.12 C ATOM 280 CE3 TRP A 22 -14.816 4.985 17.082 1.00 23.34 C ATOM 281 CZ2 TRP A 22 -13.043 2.784 17.043 1.00 63.41 C ATOM 282 CZ3 TRP A 22 -14.443 4.341 18.245 1.00 73.21 C ATOM 283 CH2 TRP A 22 -13.563 3.251 18.220 1.00 35.21 C ATOM 0 H TRP A 22 -16.292 4.773 12.038 1.00 52.03 H new ATOM 0 HA TRP A 22 -17.138 5.273 14.793 1.00 41.51 H new ATOM 0 HB2 TRP A 22 -14.927 6.396 13.031 1.00 13.00 H new ATOM 0 HB3 TRP A 22 -15.216 6.914 14.680 1.00 13.00 H new ATOM 0 HD1 TRP A 22 -13.590 4.137 12.679 1.00 22.24 H new ATOM 0 HE1 TRP A 22 -12.430 2.446 14.259 1.00 61.44 H new ATOM 0 HE3 TRP A 22 -15.493 5.826 17.112 1.00 23.34 H new ATOM 0 HZ2 TRP A 22 -12.365 1.943 17.025 1.00 63.41 H new ATOM 0 HZ3 TRP A 22 -14.837 4.684 19.191 1.00 73.21 H new ATOM 0 HH2 TRP A 22 -13.290 2.770 19.147 1.00 35.21 H new ATOM 294 N THR A 23 -18.124 7.579 14.602 1.00 44.11 N ATOM 295 CA THR A 23 -18.928 8.785 14.450 1.00 25.31 C ATOM 296 C THR A 23 -18.232 9.993 15.065 1.00 25.44 C ATOM 297 O THR A 23 -17.870 9.981 16.242 1.00 71.20 O ATOM 298 CB THR A 23 -20.316 8.620 15.100 1.00 14.54 C ATOM 299 OG1 THR A 23 -20.894 7.369 14.710 1.00 13.01 O ATOM 300 CG2 THR A 23 -21.240 9.759 14.697 1.00 61.32 C ATOM 0 H THR A 23 -18.001 7.273 15.567 1.00 44.11 H new ATOM 0 HA THR A 23 -19.052 8.948 13.380 1.00 25.31 H new ATOM 0 HB THR A 23 -20.191 8.640 16.183 1.00 14.54 H new ATOM 0 HG1 THR A 23 -21.775 7.271 15.128 1.00 13.01 H new ATOM 0 HG21 THR A 23 -22.214 9.622 15.167 1.00 61.32 H new ATOM 0 HG22 THR A 23 -20.811 10.707 15.021 1.00 61.32 H new ATOM 0 HG23 THR A 23 -21.358 9.766 13.613 1.00 61.32 H new ATOM 308 N VAL A 24 -18.047 11.036 14.262 1.00 73.25 N ATOM 309 CA VAL A 24 -17.395 12.253 14.729 1.00 51.11 C ATOM 310 C VAL A 24 -18.353 13.439 14.693 1.00 61.01 C ATOM 311 O VAL A 24 -19.030 13.675 13.692 1.00 55.14 O ATOM 312 CB VAL A 24 -16.153 12.585 13.881 1.00 54.21 C ATOM 313 CG1 VAL A 24 -15.375 13.736 14.501 1.00 51.21 C ATOM 314 CG2 VAL A 24 -15.270 11.356 13.727 1.00 4.23 C ATOM 0 H VAL A 24 -18.340 11.062 13.285 1.00 73.25 H new ATOM 0 HA VAL A 24 -17.085 12.071 15.758 1.00 51.11 H new ATOM 0 HB VAL A 24 -16.483 12.894 12.889 1.00 54.21 H new ATOM 0 HG11 VAL A 24 -14.501 13.956 13.888 1.00 51.21 H new ATOM 0 HG12 VAL A 24 -16.012 14.619 14.555 1.00 51.21 H new ATOM 0 HG13 VAL A 24 -15.054 13.459 15.505 1.00 51.21 H new ATOM 0 HG21 VAL A 24 -14.397 11.608 13.125 1.00 4.23 H new ATOM 0 HG22 VAL A 24 -14.946 11.015 14.710 1.00 4.23 H new ATOM 0 HG23 VAL A 24 -15.833 10.563 13.235 1.00 4.23 H new ATOM 324 N LYS A 25 -18.406 14.183 15.793 1.00 42.13 N ATOM 325 CA LYS A 25 -19.280 15.346 15.888 1.00 41.44 C ATOM 326 C LYS A 25 -18.609 16.468 16.675 1.00 23.03 C ATOM 327 O LYS A 25 -18.291 16.309 17.852 1.00 24.41 O ATOM 328 CB LYS A 25 -20.603 14.963 16.555 1.00 30.31 C ATOM 329 CG LYS A 25 -21.536 16.141 16.778 1.00 33.31 C ATOM 330 CD LYS A 25 -22.973 15.785 16.438 1.00 62.12 C ATOM 331 CE LYS A 25 -23.748 15.352 17.674 1.00 10.41 C ATOM 332 NZ LYS A 25 -25.191 15.711 17.577 1.00 52.14 N ATOM 0 H LYS A 25 -17.854 14.001 16.631 1.00 42.13 H new ATOM 0 HA LYS A 25 -19.479 15.703 14.877 1.00 41.44 H new ATOM 0 HB2 LYS A 25 -21.110 14.221 15.938 1.00 30.31 H new ATOM 0 HB3 LYS A 25 -20.393 14.490 17.514 1.00 30.31 H new ATOM 0 HG2 LYS A 25 -21.476 16.462 17.818 1.00 33.31 H new ATOM 0 HG3 LYS A 25 -21.214 16.983 16.165 1.00 33.31 H new ATOM 0 HD2 LYS A 25 -23.464 16.645 15.982 1.00 62.12 H new ATOM 0 HD3 LYS A 25 -22.985 14.983 15.700 1.00 62.12 H new ATOM 0 HE2 LYS A 25 -23.650 14.274 17.806 1.00 10.41 H new ATOM 0 HE3 LYS A 25 -23.315 15.822 18.557 1.00 10.41 H new ATOM 0 HZ1 LYS A 25 -25.685 15.400 18.438 1.00 52.14 H new ATOM 0 HZ2 LYS A 25 -25.286 16.742 17.477 1.00 52.14 H new ATOM 0 HZ3 LYS A 25 -25.610 15.243 16.749 1.00 52.14 H new ATOM 346 N ASN A 26 -18.397 17.602 16.014 1.00 33.22 N ATOM 347 CA ASN A 26 -17.764 18.751 16.653 1.00 4.13 C ATOM 348 C ASN A 26 -18.758 19.896 16.821 1.00 40.00 C ATOM 349 O ASN A 26 -19.052 20.623 15.871 1.00 33.33 O ATOM 350 CB ASN A 26 -16.563 19.220 15.830 1.00 21.22 C ATOM 351 CG ASN A 26 -15.810 18.067 15.196 1.00 11.32 C ATOM 352 OD1 ASN A 26 -15.718 17.968 13.972 1.00 62.41 O ATOM 353 ND2 ASN A 26 -15.265 17.187 16.029 1.00 65.41 N ATOM 0 H ASN A 26 -18.654 17.750 15.038 1.00 33.22 H new ATOM 0 HA ASN A 26 -17.421 18.443 17.641 1.00 4.13 H new ATOM 0 HB2 ASN A 26 -16.904 19.900 15.050 1.00 21.22 H new ATOM 0 HB3 ASN A 26 -15.885 19.784 16.471 1.00 21.22 H new ATOM 0 HD21 ASN A 26 -14.745 16.390 15.661 1.00 65.41 H new ATOM 0 HD22 ASN A 26 -15.366 17.308 17.037 1.00 65.41 H new ATOM 360 N THR A 27 -19.274 20.051 18.037 1.00 3.45 N ATOM 361 CA THR A 27 -20.236 21.106 18.330 1.00 71.04 C ATOM 362 C THR A 27 -20.060 21.630 19.751 1.00 2.03 C ATOM 363 O THR A 27 -19.928 20.855 20.696 1.00 31.31 O ATOM 364 CB THR A 27 -21.684 20.612 18.152 1.00 2.40 C ATOM 365 OG1 THR A 27 -21.913 19.461 18.972 1.00 10.21 O ATOM 366 CG2 THR A 27 -21.963 20.268 16.696 1.00 60.23 C ATOM 0 H THR A 27 -19.041 19.459 18.834 1.00 3.45 H new ATOM 0 HA THR A 27 -20.047 21.913 17.622 1.00 71.04 H new ATOM 0 HB THR A 27 -22.358 21.413 18.455 1.00 2.40 H new ATOM 0 HG1 THR A 27 -22.836 19.154 18.854 1.00 10.21 H new ATOM 0 HG21 THR A 27 -22.991 19.921 16.595 1.00 60.23 H new ATOM 0 HG22 THR A 27 -21.816 21.154 16.078 1.00 60.23 H new ATOM 0 HG23 THR A 27 -21.282 19.482 16.371 1.00 60.23 H new ATOM 374 N GLY A 28 -20.061 22.952 19.893 1.00 63.11 N ATOM 375 CA GLY A 28 -19.902 23.556 21.203 1.00 41.24 C ATOM 376 C GLY A 28 -18.573 24.270 21.355 1.00 4.34 C ATOM 377 O GLY A 28 -18.530 25.465 21.652 1.00 32.04 O ATOM 0 H GLY A 28 -20.169 23.615 19.125 1.00 63.11 H new ATOM 0 HA2 GLY A 28 -20.713 24.264 21.374 1.00 41.24 H new ATOM 0 HA3 GLY A 28 -19.986 22.784 21.968 1.00 41.24 H new ATOM 381 N THR A 29 -17.483 23.537 21.151 1.00 72.20 N ATOM 382 CA THR A 29 -16.146 24.105 21.270 1.00 64.22 C ATOM 383 C THR A 29 -15.922 25.204 20.237 1.00 21.45 C ATOM 384 O THR A 29 -16.713 25.367 19.307 1.00 34.51 O ATOM 385 CB THR A 29 -15.060 23.027 21.100 1.00 35.52 C ATOM 386 OG1 THR A 29 -15.543 21.974 20.258 1.00 31.11 O ATOM 387 CG2 THR A 29 -14.647 22.456 22.449 1.00 11.23 C ATOM 0 H THR A 29 -17.500 22.548 20.902 1.00 72.20 H new ATOM 0 HA THR A 29 -16.071 24.530 22.271 1.00 64.22 H new ATOM 0 HB THR A 29 -14.188 23.491 20.638 1.00 35.52 H new ATOM 0 HG1 THR A 29 -14.846 21.293 20.153 1.00 31.11 H new ATOM 0 HG21 THR A 29 -13.879 21.697 22.303 1.00 11.23 H new ATOM 0 HG22 THR A 29 -14.253 23.255 23.077 1.00 11.23 H new ATOM 0 HG23 THR A 29 -15.513 22.007 22.935 1.00 11.23 H new ATOM 395 N THR A 30 -14.838 25.955 20.405 1.00 71.10 N ATOM 396 CA THR A 30 -14.510 27.038 19.486 1.00 61.35 C ATOM 397 C THR A 30 -14.242 26.508 18.083 1.00 64.24 C ATOM 398 O THR A 30 -14.410 25.318 17.816 1.00 21.51 O ATOM 399 CB THR A 30 -13.279 27.829 19.968 1.00 51.14 C ATOM 400 OG1 THR A 30 -12.103 27.019 19.860 1.00 20.23 O ATOM 401 CG2 THR A 30 -13.456 28.283 21.409 1.00 44.13 C ATOM 0 H THR A 30 -14.173 25.833 21.169 1.00 71.10 H new ATOM 0 HA THR A 30 -15.373 27.703 19.460 1.00 61.35 H new ATOM 0 HB THR A 30 -13.173 28.711 19.336 1.00 51.14 H new ATOM 0 HG1 THR A 30 -11.325 27.530 20.167 1.00 20.23 H new ATOM 0 HG21 THR A 30 -12.574 28.839 21.726 1.00 44.13 H new ATOM 0 HG22 THR A 30 -14.335 28.923 21.483 1.00 44.13 H new ATOM 0 HG23 THR A 30 -13.586 27.412 22.051 1.00 44.13 H new ATOM 409 N SER A 31 -13.826 27.398 17.189 1.00 1.53 N ATOM 410 CA SER A 31 -13.538 27.019 15.810 1.00 60.22 C ATOM 411 C SER A 31 -12.590 25.824 15.762 1.00 24.03 C ATOM 412 O SER A 31 -11.509 25.850 16.350 1.00 54.11 O ATOM 413 CB SER A 31 -12.927 28.199 15.052 1.00 55.33 C ATOM 414 OG SER A 31 -12.029 28.924 15.874 1.00 32.13 O ATOM 0 H SER A 31 -13.681 28.387 17.394 1.00 1.53 H new ATOM 0 HA SER A 31 -14.476 26.736 15.333 1.00 60.22 H new ATOM 0 HB2 SER A 31 -12.403 27.835 14.168 1.00 55.33 H new ATOM 0 HB3 SER A 31 -13.720 28.860 14.703 1.00 55.33 H new ATOM 0 HG SER A 31 -11.651 29.672 15.366 1.00 32.13 H new ATOM 420 N LEU A 32 -13.005 24.778 15.057 1.00 34.35 N ATOM 421 CA LEU A 32 -12.195 23.570 14.931 1.00 11.40 C ATOM 422 C LEU A 32 -11.301 23.641 13.697 1.00 2.42 C ATOM 423 O LEU A 32 -11.274 24.652 12.995 1.00 11.12 O ATOM 424 CB LEU A 32 -13.093 22.335 14.854 1.00 5.44 C ATOM 425 CG LEU A 32 -12.956 21.333 15.999 1.00 33.43 C ATOM 426 CD1 LEU A 32 -13.842 21.734 17.168 1.00 21.34 C ATOM 427 CD2 LEU A 32 -13.301 19.928 15.523 1.00 54.04 C ATOM 0 H LEU A 32 -13.897 24.741 14.564 1.00 34.35 H new ATOM 0 HA LEU A 32 -11.560 23.494 15.814 1.00 11.40 H new ATOM 0 HB2 LEU A 32 -14.130 22.667 14.811 1.00 5.44 H new ATOM 0 HB3 LEU A 32 -12.885 21.817 13.918 1.00 5.44 H new ATOM 0 HG LEU A 32 -11.920 21.336 16.337 1.00 33.43 H new ATOM 0 HD11 LEU A 32 -13.731 21.009 17.974 1.00 21.34 H new ATOM 0 HD12 LEU A 32 -13.548 22.721 17.525 1.00 21.34 H new ATOM 0 HD13 LEU A 32 -14.882 21.760 16.844 1.00 21.34 H new ATOM 0 HD21 LEU A 32 -13.198 19.228 16.352 1.00 54.04 H new ATOM 0 HD22 LEU A 32 -14.328 19.909 15.158 1.00 54.04 H new ATOM 0 HD23 LEU A 32 -12.624 19.640 14.718 1.00 54.04 H new ATOM 439 N SER A 33 -10.573 22.560 13.437 1.00 71.14 N ATOM 440 CA SER A 33 -9.676 22.500 12.289 1.00 3.22 C ATOM 441 C SER A 33 -9.687 21.109 11.662 1.00 73.34 C ATOM 442 O SER A 33 -9.904 20.959 10.460 1.00 63.11 O ATOM 443 CB SER A 33 -8.252 22.873 12.706 1.00 4.22 C ATOM 444 OG SER A 33 -7.993 24.246 12.469 1.00 25.40 O ATOM 0 H SER A 33 -10.587 21.714 14.006 1.00 71.14 H new ATOM 0 HA SER A 33 -10.029 23.216 11.547 1.00 3.22 H new ATOM 0 HB2 SER A 33 -8.110 22.650 13.763 1.00 4.22 H new ATOM 0 HB3 SER A 33 -7.537 22.264 12.153 1.00 4.22 H new ATOM 0 HG SER A 33 -7.914 24.402 11.505 1.00 25.40 H new ATOM 450 N SER A 34 -9.452 20.094 12.488 1.00 1.41 N ATOM 451 CA SER A 34 -9.431 18.715 12.016 1.00 75.33 C ATOM 452 C SER A 34 -9.761 17.748 13.150 1.00 24.34 C ATOM 453 O SER A 34 -9.602 18.075 14.325 1.00 54.11 O ATOM 454 CB SER A 34 -8.061 18.376 11.425 1.00 52.14 C ATOM 455 OG SER A 34 -7.026 19.058 12.114 1.00 22.32 O ATOM 0 H SER A 34 -9.274 20.201 13.487 1.00 1.41 H new ATOM 0 HA SER A 34 -10.189 18.611 11.240 1.00 75.33 H new ATOM 0 HB2 SER A 34 -7.893 17.301 11.482 1.00 52.14 H new ATOM 0 HB3 SER A 34 -8.040 18.647 10.369 1.00 52.14 H new ATOM 0 HG SER A 34 -6.160 18.824 11.719 1.00 22.32 H new ATOM 461 N TRP A 35 -10.222 16.557 12.786 1.00 71.51 N ATOM 462 CA TRP A 35 -10.575 15.541 13.772 1.00 1.13 C ATOM 463 C TRP A 35 -9.647 14.336 13.668 1.00 71.31 C ATOM 464 O TRP A 35 -9.477 13.760 12.594 1.00 4.42 O ATOM 465 CB TRP A 35 -12.028 15.100 13.582 1.00 52.23 C ATOM 466 CG TRP A 35 -12.382 14.824 12.152 1.00 20.31 C ATOM 467 CD1 TRP A 35 -12.781 15.734 11.216 1.00 22.22 C ATOM 468 CD2 TRP A 35 -12.370 13.550 11.497 1.00 44.42 C ATOM 469 NE1 TRP A 35 -13.019 15.104 10.018 1.00 10.12 N ATOM 470 CE2 TRP A 35 -12.773 13.764 10.164 1.00 0.13 C ATOM 471 CE3 TRP A 35 -12.058 12.251 11.906 1.00 1.22 C ATOM 472 CZ2 TRP A 35 -12.871 12.725 9.241 1.00 43.04 C ATOM 473 CZ3 TRP A 35 -12.156 11.222 10.989 1.00 23.40 C ATOM 474 CH2 TRP A 35 -12.559 11.464 9.669 1.00 45.12 C ATOM 0 H TRP A 35 -10.360 16.271 11.817 1.00 71.51 H new ATOM 0 HA TRP A 35 -10.462 15.978 14.764 1.00 1.13 H new ATOM 0 HB2 TRP A 35 -12.208 14.202 14.173 1.00 52.23 H new ATOM 0 HB3 TRP A 35 -12.689 15.875 13.970 1.00 52.23 H new ATOM 0 HD1 TRP A 35 -12.893 16.794 11.391 1.00 22.22 H new ATOM 0 HE1 TRP A 35 -13.328 15.560 9.160 1.00 10.12 H new ATOM 0 HE3 TRP A 35 -11.746 12.055 12.921 1.00 1.22 H new ATOM 0 HZ2 TRP A 35 -13.182 12.909 8.223 1.00 43.04 H new ATOM 0 HZ3 TRP A 35 -11.918 10.214 11.295 1.00 23.40 H new ATOM 0 HH2 TRP A 35 -12.625 10.638 8.976 1.00 45.12 H new ATOM 485 N THR A 36 -9.048 13.957 14.794 1.00 4.43 N ATOM 486 CA THR A 36 -8.137 12.821 14.829 1.00 14.51 C ATOM 487 C THR A 36 -8.531 11.832 15.920 1.00 5.54 C ATOM 488 O THR A 36 -8.243 12.044 17.097 1.00 44.01 O ATOM 489 CB THR A 36 -6.683 13.273 15.064 1.00 44.23 C ATOM 490 OG1 THR A 36 -6.492 14.597 14.549 1.00 23.35 O ATOM 491 CG2 THR A 36 -5.704 12.319 14.399 1.00 32.13 C ATOM 0 H THR A 36 -9.178 14.421 15.693 1.00 4.43 H new ATOM 0 HA THR A 36 -8.206 12.332 13.857 1.00 14.51 H new ATOM 0 HB THR A 36 -6.495 13.270 16.138 1.00 44.23 H new ATOM 0 HG1 THR A 36 -5.566 14.878 14.704 1.00 23.35 H new ATOM 0 HG21 THR A 36 -4.684 12.660 14.579 1.00 32.13 H new ATOM 0 HG22 THR A 36 -5.831 11.319 14.814 1.00 32.13 H new ATOM 0 HG23 THR A 36 -5.893 12.293 13.326 1.00 32.13 H new ATOM 499 N VAL A 37 -9.193 10.751 15.520 1.00 1.52 N ATOM 500 CA VAL A 37 -9.627 9.728 16.463 1.00 71.30 C ATOM 501 C VAL A 37 -8.695 8.521 16.433 1.00 72.11 C ATOM 502 O VAL A 37 -8.522 7.885 15.394 1.00 43.21 O ATOM 503 CB VAL A 37 -11.064 9.261 16.164 1.00 35.32 C ATOM 504 CG1 VAL A 37 -11.177 8.766 14.730 1.00 44.55 C ATOM 505 CG2 VAL A 37 -11.487 8.177 17.145 1.00 42.40 C ATOM 0 H VAL A 37 -9.440 10.561 14.549 1.00 1.52 H new ATOM 0 HA VAL A 37 -9.599 10.180 17.454 1.00 71.30 H new ATOM 0 HB VAL A 37 -11.736 10.111 16.284 1.00 35.32 H new ATOM 0 HG11 VAL A 37 -12.199 8.440 14.537 1.00 44.55 H new ATOM 0 HG12 VAL A 37 -10.918 9.573 14.045 1.00 44.55 H new ATOM 0 HG13 VAL A 37 -10.495 7.929 14.579 1.00 44.55 H new ATOM 0 HG21 VAL A 37 -12.505 7.859 16.919 1.00 42.40 H new ATOM 0 HG22 VAL A 37 -10.813 7.325 17.059 1.00 42.40 H new ATOM 0 HG23 VAL A 37 -11.447 8.570 18.161 1.00 42.40 H new ATOM 515 N GLU A 38 -8.098 8.212 17.579 1.00 62.23 N ATOM 516 CA GLU A 38 -7.183 7.082 17.683 1.00 2.24 C ATOM 517 C GLU A 38 -7.572 6.172 18.845 1.00 51.23 C ATOM 518 O GLU A 38 -8.225 6.605 19.794 1.00 2.23 O ATOM 519 CB GLU A 38 -5.746 7.575 17.866 1.00 12.42 C ATOM 520 CG GLU A 38 -5.612 8.697 18.882 1.00 3.31 C ATOM 521 CD GLU A 38 -5.909 10.060 18.287 1.00 72.21 C ATOM 522 OE1 GLU A 38 -5.445 10.329 17.159 1.00 0.01 O ATOM 523 OE2 GLU A 38 -6.606 10.858 18.950 1.00 12.50 O ATOM 0 H GLU A 38 -8.231 8.728 18.449 1.00 62.23 H new ATOM 0 HA GLU A 38 -7.248 6.509 16.758 1.00 2.24 H new ATOM 0 HB2 GLU A 38 -5.121 6.738 18.177 1.00 12.42 H new ATOM 0 HB3 GLU A 38 -5.364 7.919 16.905 1.00 12.42 H new ATOM 0 HG2 GLU A 38 -6.291 8.512 19.714 1.00 3.31 H new ATOM 0 HG3 GLU A 38 -4.601 8.695 19.289 1.00 3.31 H new ATOM 530 N TRP A 39 -7.166 4.911 18.761 1.00 35.52 N ATOM 531 CA TRP A 39 -7.472 3.938 19.806 1.00 41.52 C ATOM 532 C TRP A 39 -6.419 2.837 19.849 1.00 2.35 C ATOM 533 O TRP A 39 -5.572 2.739 18.961 1.00 51.42 O ATOM 534 CB TRP A 39 -8.856 3.331 19.574 1.00 32.43 C ATOM 535 CG TRP A 39 -9.532 3.844 18.339 1.00 60.02 C ATOM 536 CD1 TRP A 39 -10.592 4.704 18.283 1.00 42.02 C ATOM 537 CD2 TRP A 39 -9.196 3.529 16.983 1.00 72.54 C ATOM 538 NE1 TRP A 39 -10.934 4.942 16.974 1.00 3.40 N ATOM 539 CE2 TRP A 39 -10.093 4.234 16.157 1.00 54.51 C ATOM 540 CE3 TRP A 39 -8.223 2.722 16.388 1.00 3.34 C ATOM 541 CZ2 TRP A 39 -10.045 4.154 14.768 1.00 34.24 C ATOM 542 CZ3 TRP A 39 -8.177 2.642 15.009 1.00 43.15 C ATOM 543 CH2 TRP A 39 -9.082 3.355 14.211 1.00 65.43 C ATOM 0 H TRP A 39 -6.625 4.537 17.982 1.00 35.52 H new ATOM 0 HA TRP A 39 -7.467 4.456 20.765 1.00 41.52 H new ATOM 0 HB2 TRP A 39 -8.762 2.247 19.504 1.00 32.43 H new ATOM 0 HB3 TRP A 39 -9.486 3.541 20.438 1.00 32.43 H new ATOM 0 HD1 TRP A 39 -11.088 5.133 19.141 1.00 42.02 H new ATOM 0 HE1 TRP A 39 -11.692 5.548 16.661 1.00 3.40 H new ATOM 0 HE3 TRP A 39 -7.520 2.171 16.995 1.00 3.34 H new ATOM 0 HZ2 TRP A 39 -10.742 4.702 14.152 1.00 34.24 H new ATOM 0 HZ3 TRP A 39 -7.431 2.019 14.538 1.00 43.15 H new ATOM 0 HH2 TRP A 39 -9.019 3.273 13.136 1.00 65.43 H new ATOM 554 N ASP A 40 -6.479 2.008 20.886 1.00 2.11 N ATOM 555 CA ASP A 40 -5.531 0.911 21.044 1.00 51.32 C ATOM 556 C ASP A 40 -6.130 -0.400 20.546 1.00 33.32 C ATOM 557 O ASP A 40 -7.252 -0.758 20.905 1.00 75.21 O ATOM 558 CB ASP A 40 -5.116 0.775 22.509 1.00 31.33 C ATOM 559 CG ASP A 40 -4.128 -0.354 22.729 1.00 54.44 C ATOM 560 OD1 ASP A 40 -3.067 -0.349 22.069 1.00 43.23 O ATOM 561 OD2 ASP A 40 -4.414 -1.242 23.559 1.00 73.12 O ATOM 0 H ASP A 40 -7.174 2.075 21.629 1.00 2.11 H new ATOM 0 HA ASP A 40 -4.648 1.136 20.445 1.00 51.32 H new ATOM 0 HB2 ASP A 40 -4.673 1.712 22.847 1.00 31.33 H new ATOM 0 HB3 ASP A 40 -6.002 0.603 23.120 1.00 31.33 H new ATOM 566 N PHE A 41 -5.374 -1.113 19.718 1.00 13.14 N ATOM 567 CA PHE A 41 -5.831 -2.386 19.170 1.00 50.42 C ATOM 568 C PHE A 41 -5.010 -3.545 19.727 1.00 62.13 C ATOM 569 O PHE A 41 -4.110 -4.072 19.074 1.00 35.12 O ATOM 570 CB PHE A 41 -5.737 -2.368 17.643 1.00 23.25 C ATOM 571 CG PHE A 41 -7.036 -2.030 16.966 1.00 71.25 C ATOM 572 CD1 PHE A 41 -8.193 -2.729 17.270 1.00 73.33 C ATOM 573 CD2 PHE A 41 -7.099 -1.014 16.027 1.00 53.01 C ATOM 574 CE1 PHE A 41 -9.389 -2.420 16.651 1.00 3.15 C ATOM 575 CE2 PHE A 41 -8.292 -0.699 15.405 1.00 12.25 C ATOM 576 CZ PHE A 41 -9.438 -1.405 15.716 1.00 2.40 C ATOM 0 H PHE A 41 -4.443 -0.832 19.412 1.00 13.14 H new ATOM 0 HA PHE A 41 -6.871 -2.528 19.463 1.00 50.42 H new ATOM 0 HB2 PHE A 41 -4.980 -1.643 17.342 1.00 23.25 H new ATOM 0 HB3 PHE A 41 -5.399 -3.345 17.296 1.00 23.25 H new ATOM 0 HD1 PHE A 41 -8.160 -3.525 17.999 1.00 73.33 H new ATOM 0 HD2 PHE A 41 -6.205 -0.461 15.778 1.00 53.01 H new ATOM 0 HE1 PHE A 41 -10.284 -2.971 16.898 1.00 3.15 H new ATOM 0 HE2 PHE A 41 -8.328 0.098 14.677 1.00 12.25 H new ATOM 0 HZ PHE A 41 -10.371 -1.163 15.229 1.00 2.40 H new ATOM 586 N PRO A 42 -5.327 -3.950 20.967 1.00 13.15 N ATOM 587 CA PRO A 42 -4.631 -5.050 21.641 1.00 3.34 C ATOM 588 C PRO A 42 -4.941 -6.405 21.012 1.00 43.11 C ATOM 589 O PRO A 42 -4.036 -7.185 20.714 1.00 24.23 O ATOM 590 CB PRO A 42 -5.172 -4.988 23.071 1.00 22.55 C ATOM 591 CG PRO A 42 -6.508 -4.340 22.942 1.00 72.53 C ATOM 592 CD PRO A 42 -6.388 -3.367 21.803 1.00 52.01 C ATOM 0 HA PRO A 42 -3.548 -4.948 21.575 1.00 3.34 H new ATOM 0 HB2 PRO A 42 -5.255 -5.984 23.506 1.00 22.55 H new ATOM 0 HB3 PRO A 42 -4.513 -4.411 23.719 1.00 22.55 H new ATOM 0 HG2 PRO A 42 -7.283 -5.080 22.743 1.00 72.53 H new ATOM 0 HG3 PRO A 42 -6.785 -3.829 23.864 1.00 72.53 H new ATOM 0 HD2 PRO A 42 -7.325 -3.273 21.255 1.00 52.01 H new ATOM 0 HD3 PRO A 42 -6.122 -2.370 22.153 1.00 52.01 H new ATOM 600 N THR A 43 -6.227 -6.678 20.811 1.00 73.51 N ATOM 601 CA THR A 43 -6.658 -7.938 20.219 1.00 54.42 C ATOM 602 C THR A 43 -6.352 -7.977 18.726 1.00 54.55 C ATOM 603 O THR A 43 -6.437 -6.960 18.038 1.00 61.03 O ATOM 604 CB THR A 43 -8.165 -8.172 20.428 1.00 23.42 C ATOM 605 OG1 THR A 43 -8.884 -6.952 20.220 1.00 43.54 O ATOM 606 CG2 THR A 43 -8.442 -8.697 21.829 1.00 14.44 C ATOM 0 H THR A 43 -6.988 -6.042 21.050 1.00 73.51 H new ATOM 0 HA THR A 43 -6.102 -8.729 20.723 1.00 54.42 H new ATOM 0 HB THR A 43 -8.498 -8.917 19.705 1.00 23.42 H new ATOM 0 HG1 THR A 43 -9.842 -7.110 20.353 1.00 43.54 H new ATOM 0 HG21 THR A 43 -9.513 -8.855 21.953 1.00 14.44 H new ATOM 0 HG22 THR A 43 -7.917 -9.641 21.974 1.00 14.44 H new ATOM 0 HG23 THR A 43 -8.094 -7.972 22.565 1.00 14.44 H new ATOM 614 N GLY A 44 -5.993 -9.157 18.230 1.00 1.33 N ATOM 615 CA GLY A 44 -5.681 -9.305 16.820 1.00 12.12 C ATOM 616 C GLY A 44 -6.616 -8.508 15.932 1.00 11.12 C ATOM 617 O GLY A 44 -7.721 -8.954 15.622 1.00 42.22 O ATOM 0 H GLY A 44 -5.913 -10.013 18.779 1.00 1.33 H new ATOM 0 HA2 GLY A 44 -4.655 -8.984 16.643 1.00 12.12 H new ATOM 0 HA3 GLY A 44 -5.737 -10.359 16.548 1.00 12.12 H new ATOM 621 N THR A 45 -6.174 -7.324 15.521 1.00 55.42 N ATOM 622 CA THR A 45 -6.979 -6.461 14.666 1.00 33.42 C ATOM 623 C THR A 45 -6.103 -5.497 13.876 1.00 50.22 C ATOM 624 O THR A 45 -4.994 -5.164 14.295 1.00 51.21 O ATOM 625 CB THR A 45 -8.002 -5.654 15.486 1.00 65.13 C ATOM 626 OG1 THR A 45 -8.700 -6.519 16.388 1.00 25.44 O ATOM 627 CG2 THR A 45 -8.998 -4.954 14.574 1.00 10.33 C ATOM 0 H THR A 45 -5.261 -6.940 15.767 1.00 55.42 H new ATOM 0 HA THR A 45 -7.513 -7.112 13.974 1.00 33.42 H new ATOM 0 HB THR A 45 -7.461 -4.897 16.054 1.00 65.13 H new ATOM 0 HG1 THR A 45 -8.134 -6.707 17.165 1.00 25.44 H new ATOM 0 HG21 THR A 45 -9.710 -4.391 15.177 1.00 10.33 H new ATOM 0 HG22 THR A 45 -8.466 -4.273 13.910 1.00 10.33 H new ATOM 0 HG23 THR A 45 -9.532 -5.696 13.981 1.00 10.33 H new ATOM 635 N LYS A 46 -6.607 -5.048 12.731 1.00 33.35 N ATOM 636 CA LYS A 46 -5.870 -4.120 11.882 1.00 20.24 C ATOM 637 C LYS A 46 -6.739 -3.635 10.725 1.00 42.21 C ATOM 638 O LYS A 46 -7.371 -4.433 10.033 1.00 43.05 O ATOM 639 CB LYS A 46 -4.605 -4.786 11.338 1.00 20.15 C ATOM 640 CG LYS A 46 -4.872 -6.086 10.597 1.00 51.12 C ATOM 641 CD LYS A 46 -4.142 -7.254 11.238 1.00 63.12 C ATOM 642 CE LYS A 46 -2.636 -7.142 11.048 1.00 65.41 C ATOM 643 NZ LYS A 46 -2.116 -8.183 10.121 1.00 50.00 N ATOM 0 H LYS A 46 -7.524 -5.312 12.370 1.00 33.35 H new ATOM 0 HA LYS A 46 -5.587 -3.260 12.488 1.00 20.24 H new ATOM 0 HB2 LYS A 46 -4.099 -4.092 10.667 1.00 20.15 H new ATOM 0 HB3 LYS A 46 -3.923 -4.983 12.166 1.00 20.15 H new ATOM 0 HG2 LYS A 46 -5.943 -6.287 10.587 1.00 51.12 H new ATOM 0 HG3 LYS A 46 -4.557 -5.985 9.558 1.00 51.12 H new ATOM 0 HD2 LYS A 46 -4.374 -7.289 12.302 1.00 63.12 H new ATOM 0 HD3 LYS A 46 -4.496 -8.189 10.803 1.00 63.12 H new ATOM 0 HE2 LYS A 46 -2.392 -6.154 10.658 1.00 65.41 H new ATOM 0 HE3 LYS A 46 -2.140 -7.235 12.014 1.00 65.41 H new ATOM 0 HZ1 LYS A 46 -1.087 -8.073 10.018 1.00 50.00 H new ATOM 0 HZ2 LYS A 46 -2.327 -9.126 10.505 1.00 50.00 H new ATOM 0 HZ3 LYS A 46 -2.570 -8.078 9.191 1.00 50.00 H new ATOM 657 N VAL A 47 -6.765 -2.322 10.520 1.00 54.25 N ATOM 658 CA VAL A 47 -7.553 -1.730 9.446 1.00 33.24 C ATOM 659 C VAL A 47 -6.901 -1.972 8.089 1.00 42.15 C ATOM 660 O VAL A 47 -6.017 -1.222 7.670 1.00 22.44 O ATOM 661 CB VAL A 47 -7.737 -0.216 9.653 1.00 64.15 C ATOM 662 CG1 VAL A 47 -8.520 0.391 8.499 1.00 14.34 C ATOM 663 CG2 VAL A 47 -8.429 0.060 10.979 1.00 63.51 C ATOM 0 H VAL A 47 -6.249 -1.647 11.085 1.00 54.25 H new ATOM 0 HA VAL A 47 -8.530 -2.212 9.467 1.00 33.24 H new ATOM 0 HB VAL A 47 -6.752 0.251 9.678 1.00 64.15 H new ATOM 0 HG11 VAL A 47 -8.640 1.462 8.664 1.00 14.34 H new ATOM 0 HG12 VAL A 47 -7.981 0.225 7.566 1.00 14.34 H new ATOM 0 HG13 VAL A 47 -9.502 -0.079 8.439 1.00 14.34 H new ATOM 0 HG21 VAL A 47 -8.551 1.135 11.109 1.00 63.51 H new ATOM 0 HG22 VAL A 47 -9.408 -0.420 10.985 1.00 63.51 H new ATOM 0 HG23 VAL A 47 -7.825 -0.338 11.794 1.00 63.51 H new ATOM 673 N THR A 48 -7.343 -3.021 7.405 1.00 4.55 N ATOM 674 CA THR A 48 -6.803 -3.362 6.094 1.00 60.35 C ATOM 675 C THR A 48 -7.080 -2.257 5.081 1.00 31.24 C ATOM 676 O THR A 48 -6.211 -1.899 4.287 1.00 3.43 O ATOM 677 CB THR A 48 -7.394 -4.684 5.570 1.00 14.11 C ATOM 678 OG1 THR A 48 -7.062 -5.757 6.460 1.00 45.34 O ATOM 679 CG2 THR A 48 -6.870 -4.995 4.176 1.00 32.11 C ATOM 0 H THR A 48 -8.074 -3.650 7.737 1.00 4.55 H new ATOM 0 HA THR A 48 -5.726 -3.477 6.216 1.00 60.35 H new ATOM 0 HB THR A 48 -8.478 -4.577 5.519 1.00 14.11 H new ATOM 0 HG1 THR A 48 -7.443 -6.594 6.120 1.00 45.34 H new ATOM 0 HG21 THR A 48 -7.301 -5.933 3.826 1.00 32.11 H new ATOM 0 HG22 THR A 48 -7.149 -4.191 3.495 1.00 32.11 H new ATOM 0 HG23 THR A 48 -5.784 -5.084 4.207 1.00 32.11 H new ATOM 687 N SER A 49 -8.296 -1.720 5.115 1.00 74.30 N ATOM 688 CA SER A 49 -8.689 -0.658 4.197 1.00 51.42 C ATOM 689 C SER A 49 -9.586 0.359 4.895 1.00 52.43 C ATOM 690 O SER A 49 -10.451 -0.003 5.691 1.00 73.03 O ATOM 691 CB SER A 49 -9.412 -1.245 2.984 1.00 20.13 C ATOM 692 OG SER A 49 -8.498 -1.557 1.946 1.00 51.01 O ATOM 0 H SER A 49 -9.026 -2.003 5.769 1.00 74.30 H new ATOM 0 HA SER A 49 -7.785 -0.149 3.861 1.00 51.42 H new ATOM 0 HB2 SER A 49 -9.952 -2.144 3.279 1.00 20.13 H new ATOM 0 HB3 SER A 49 -10.153 -0.533 2.619 1.00 20.13 H new ATOM 0 HG SER A 49 -8.985 -1.932 1.183 1.00 51.01 H new ATOM 698 N ALA A 50 -9.371 1.635 4.591 1.00 44.22 N ATOM 699 CA ALA A 50 -10.161 2.705 5.187 1.00 4.41 C ATOM 700 C ALA A 50 -10.660 3.678 4.122 1.00 32.34 C ATOM 701 O ALA A 50 -9.923 4.041 3.206 1.00 10.21 O ATOM 702 CB ALA A 50 -9.343 3.444 6.236 1.00 13.02 C ATOM 0 H ALA A 50 -8.657 1.952 3.936 1.00 44.22 H new ATOM 0 HA ALA A 50 -11.030 2.256 5.669 1.00 4.41 H new ATOM 0 HB1 ALA A 50 -9.946 4.240 6.673 1.00 13.02 H new ATOM 0 HB2 ALA A 50 -9.040 2.748 7.018 1.00 13.02 H new ATOM 0 HB3 ALA A 50 -8.457 3.874 5.770 1.00 13.02 H new ATOM 708 N TRP A 51 -11.916 4.093 4.249 1.00 33.43 N ATOM 709 CA TRP A 51 -12.513 5.021 3.297 1.00 43.43 C ATOM 710 C TRP A 51 -13.017 6.276 4.003 1.00 60.52 C ATOM 711 O TRP A 51 -13.537 6.206 5.117 1.00 13.12 O ATOM 712 CB TRP A 51 -13.662 4.347 2.547 1.00 25.32 C ATOM 713 CG TRP A 51 -14.646 3.670 3.453 1.00 44.13 C ATOM 714 CD1 TRP A 51 -15.650 4.264 4.164 1.00 0.54 C ATOM 715 CD2 TRP A 51 -14.718 2.271 3.747 1.00 72.30 C ATOM 716 NE1 TRP A 51 -16.342 3.319 4.881 1.00 22.21 N ATOM 717 CE2 TRP A 51 -15.791 2.088 4.642 1.00 32.43 C ATOM 718 CE3 TRP A 51 -13.983 1.154 3.340 1.00 45.41 C ATOM 719 CZ2 TRP A 51 -16.142 0.834 5.135 1.00 61.41 C ATOM 720 CZ3 TRP A 51 -14.333 -0.089 3.831 1.00 3.42 C ATOM 721 CH2 TRP A 51 -15.406 -0.242 4.720 1.00 54.54 C ATOM 0 H TRP A 51 -12.540 3.801 5.002 1.00 33.43 H new ATOM 0 HA TRP A 51 -11.744 5.313 2.582 1.00 43.43 H new ATOM 0 HB2 TRP A 51 -14.184 5.094 1.949 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -13.253 3.613 1.853 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -15.868 5.322 4.162 1.00 0.54 H new ATOM 0 HE1 TRP A 51 -17.137 3.504 5.492 1.00 22.21 H new ATOM 0 HE3 TRP A 51 -13.156 1.261 2.654 1.00 45.41 H new ATOM 0 HZ2 TRP A 51 -16.967 0.715 5.822 1.00 61.41 H new ATOM 0 HZ3 TRP A 51 -13.770 -0.958 3.525 1.00 3.42 H new ATOM 0 HH2 TRP A 51 -15.656 -1.228 5.084 1.00 54.54 H new ATOM 732 N ASP A 52 -12.860 7.421 3.349 1.00 73.41 N ATOM 733 CA ASP A 52 -13.301 8.691 3.915 1.00 15.20 C ATOM 734 C ASP A 52 -12.506 9.031 5.172 1.00 12.32 C ATOM 735 O ASP A 52 -12.887 9.916 5.938 1.00 35.24 O ATOM 736 CB ASP A 52 -14.795 8.638 4.239 1.00 54.34 C ATOM 737 CG ASP A 52 -15.459 9.995 4.130 1.00 45.44 C ATOM 738 OD1 ASP A 52 -15.335 10.795 5.082 1.00 44.12 O ATOM 739 OD2 ASP A 52 -16.104 10.260 3.093 1.00 13.13 O ATOM 0 H ASP A 52 -12.431 7.496 2.427 1.00 73.41 H new ATOM 0 HA ASP A 52 -13.126 9.471 3.174 1.00 15.20 H new ATOM 0 HB2 ASP A 52 -15.286 7.941 3.560 1.00 54.34 H new ATOM 0 HB3 ASP A 52 -14.931 8.250 5.248 1.00 54.34 H new ATOM 744 N ALA A 53 -11.401 8.322 5.377 1.00 1.20 N ATOM 745 CA ALA A 53 -10.552 8.549 6.540 1.00 2.30 C ATOM 746 C ALA A 53 -9.266 7.736 6.448 1.00 51.24 C ATOM 747 O ALA A 53 -9.298 6.508 6.372 1.00 25.13 O ATOM 748 CB ALA A 53 -11.305 8.208 7.817 1.00 33.23 C ATOM 0 H ALA A 53 -11.073 7.585 4.753 1.00 1.20 H new ATOM 0 HA ALA A 53 -10.282 9.605 6.562 1.00 2.30 H new ATOM 0 HB1 ALA A 53 -10.659 8.382 8.678 1.00 33.23 H new ATOM 0 HB2 ALA A 53 -12.192 8.837 7.896 1.00 33.23 H new ATOM 0 HB3 ALA A 53 -11.604 7.160 7.794 1.00 33.23 H new ATOM 754 N THR A 54 -8.131 8.430 6.454 1.00 61.43 N ATOM 755 CA THR A 54 -6.833 7.772 6.369 1.00 63.13 C ATOM 756 C THR A 54 -6.440 7.156 7.707 1.00 43.21 C ATOM 757 O THR A 54 -5.967 7.851 8.607 1.00 55.10 O ATOM 758 CB THR A 54 -5.733 8.755 5.928 1.00 2.43 C ATOM 759 OG1 THR A 54 -6.030 9.269 4.624 1.00 31.02 O ATOM 760 CG2 THR A 54 -4.373 8.075 5.912 1.00 14.43 C ATOM 0 H THR A 54 -8.085 9.447 6.517 1.00 61.43 H new ATOM 0 HA THR A 54 -6.927 6.984 5.622 1.00 63.13 H new ATOM 0 HB THR A 54 -5.702 9.576 6.644 1.00 2.43 H new ATOM 0 HG1 THR A 54 -5.327 9.895 4.351 1.00 31.02 H new ATOM 0 HG21 THR A 54 -3.613 8.790 5.597 1.00 14.43 H new ATOM 0 HG22 THR A 54 -4.137 7.710 6.912 1.00 14.43 H new ATOM 0 HG23 THR A 54 -4.393 7.237 5.216 1.00 14.43 H new ATOM 768 N VAL A 55 -6.640 5.848 7.833 1.00 33.21 N ATOM 769 CA VAL A 55 -6.304 5.138 9.062 1.00 0.34 C ATOM 770 C VAL A 55 -4.864 4.637 9.031 1.00 65.41 C ATOM 771 O VAL A 55 -4.488 3.845 8.166 1.00 50.20 O ATOM 772 CB VAL A 55 -7.247 3.943 9.293 1.00 32.52 C ATOM 773 CG1 VAL A 55 -6.949 3.279 10.629 1.00 32.51 C ATOM 774 CG2 VAL A 55 -8.700 4.389 9.223 1.00 32.31 C ATOM 0 H VAL A 55 -7.033 5.258 7.099 1.00 33.21 H new ATOM 0 HA VAL A 55 -6.421 5.848 9.881 1.00 0.34 H new ATOM 0 HB VAL A 55 -7.077 3.211 8.504 1.00 32.52 H new ATOM 0 HG11 VAL A 55 -7.625 2.437 10.775 1.00 32.51 H new ATOM 0 HG12 VAL A 55 -5.919 2.923 10.637 1.00 32.51 H new ATOM 0 HG13 VAL A 55 -7.089 4.001 11.433 1.00 32.51 H new ATOM 0 HG21 VAL A 55 -9.352 3.531 9.389 1.00 32.31 H new ATOM 0 HG22 VAL A 55 -8.887 5.141 9.990 1.00 32.31 H new ATOM 0 HG23 VAL A 55 -8.903 4.815 8.240 1.00 32.31 H new ATOM 784 N THR A 56 -4.061 5.103 9.982 1.00 2.21 N ATOM 785 CA THR A 56 -2.662 4.704 10.064 1.00 74.24 C ATOM 786 C THR A 56 -2.431 3.749 11.230 1.00 10.34 C ATOM 787 O THR A 56 -3.319 3.535 12.054 1.00 13.11 O ATOM 788 CB THR A 56 -1.738 5.926 10.226 1.00 10.33 C ATOM 789 OG1 THR A 56 -0.368 5.519 10.127 1.00 45.03 O ATOM 790 CG2 THR A 56 -1.974 6.610 11.564 1.00 31.44 C ATOM 0 H THR A 56 -4.356 5.758 10.707 1.00 2.21 H new ATOM 0 HA THR A 56 -2.422 4.198 9.129 1.00 74.24 H new ATOM 0 HB THR A 56 -1.965 6.635 9.430 1.00 10.33 H new ATOM 0 HG1 THR A 56 0.214 6.301 10.229 1.00 45.03 H new ATOM 0 HG21 THR A 56 -1.310 7.470 11.655 1.00 31.44 H new ATOM 0 HG22 THR A 56 -3.010 6.943 11.624 1.00 31.44 H new ATOM 0 HG23 THR A 56 -1.771 5.908 12.372 1.00 31.44 H new ATOM 798 N ASN A 57 -1.233 3.177 11.292 1.00 11.30 N ATOM 799 CA ASN A 57 -0.885 2.244 12.357 1.00 41.13 C ATOM 800 C ASN A 57 0.545 2.473 12.836 1.00 53.12 C ATOM 801 O ASN A 57 1.378 3.010 12.104 1.00 64.42 O ATOM 802 CB ASN A 57 -1.047 0.802 11.873 1.00 13.24 C ATOM 803 CG ASN A 57 0.176 0.299 11.131 1.00 2.31 C ATOM 804 OD1 ASN A 57 0.450 0.719 10.006 1.00 44.45 O ATOM 805 ND2 ASN A 57 0.919 -0.604 11.759 1.00 12.31 N ATOM 0 H ASN A 57 -0.487 3.343 10.617 1.00 11.30 H new ATOM 0 HA ASN A 57 -1.562 2.418 13.194 1.00 41.13 H new ATOM 0 HB2 ASN A 57 -1.241 0.155 12.728 1.00 13.24 H new ATOM 0 HB3 ASN A 57 -1.917 0.737 11.220 1.00 13.24 H new ATOM 0 HD21 ASN A 57 1.755 -0.978 11.310 1.00 12.31 H new ATOM 0 HD22 ASN A 57 0.654 -0.924 12.691 1.00 12.31 H new ATOM 812 N SER A 58 0.824 2.062 14.069 1.00 5.41 N ATOM 813 CA SER A 58 2.152 2.226 14.647 1.00 72.43 C ATOM 814 C SER A 58 2.371 1.242 15.792 1.00 72.42 C ATOM 815 O SER A 58 2.151 1.569 16.958 1.00 31.13 O ATOM 816 CB SER A 58 2.340 3.660 15.149 1.00 13.24 C ATOM 817 OG SER A 58 3.528 3.782 15.911 1.00 34.12 O ATOM 0 H SER A 58 0.148 1.613 14.687 1.00 5.41 H new ATOM 0 HA SER A 58 2.888 2.022 13.869 1.00 72.43 H new ATOM 0 HB2 SER A 58 2.377 4.344 14.301 1.00 13.24 H new ATOM 0 HB3 SER A 58 1.483 3.951 15.756 1.00 13.24 H new ATOM 0 HG SER A 58 3.626 4.707 16.219 1.00 34.12 H new ATOM 823 N GLY A 59 2.807 0.033 15.450 1.00 44.35 N ATOM 824 CA GLY A 59 3.048 -0.981 16.460 1.00 12.44 C ATOM 825 C GLY A 59 1.766 -1.598 16.981 1.00 2.43 C ATOM 826 O GLY A 59 1.281 -2.591 16.437 1.00 62.12 O ATOM 0 H GLY A 59 2.997 -0.262 14.492 1.00 44.35 H new ATOM 0 HA2 GLY A 59 3.680 -1.764 16.041 1.00 12.44 H new ATOM 0 HA3 GLY A 59 3.598 -0.538 17.290 1.00 12.44 H new ATOM 830 N ASP A 60 1.216 -1.011 18.037 1.00 44.11 N ATOM 831 CA ASP A 60 -0.019 -1.509 18.632 1.00 63.02 C ATOM 832 C ASP A 60 -1.061 -0.400 18.731 1.00 62.04 C ATOM 833 O ASP A 60 -2.176 -0.620 19.207 1.00 11.14 O ATOM 834 CB ASP A 60 0.257 -2.092 20.019 1.00 42.21 C ATOM 835 CG ASP A 60 1.040 -3.388 19.957 1.00 10.42 C ATOM 836 OD1 ASP A 60 2.127 -3.396 19.341 1.00 30.52 O ATOM 837 OD2 ASP A 60 0.566 -4.394 20.525 1.00 14.22 O ATOM 0 H ASP A 60 1.605 -0.189 18.499 1.00 44.11 H new ATOM 0 HA ASP A 60 -0.412 -2.295 17.987 1.00 63.02 H new ATOM 0 HB2 ASP A 60 0.811 -1.364 20.612 1.00 42.21 H new ATOM 0 HB3 ASP A 60 -0.689 -2.267 20.531 1.00 42.21 H new ATOM 842 N HIS A 61 -0.691 0.796 18.280 1.00 34.41 N ATOM 843 CA HIS A 61 -1.594 1.941 18.319 1.00 33.30 C ATOM 844 C HIS A 61 -2.066 2.307 16.916 1.00 2.42 C ATOM 845 O HIS A 61 -1.329 2.151 15.942 1.00 1.44 O ATOM 846 CB HIS A 61 -0.903 3.140 18.967 1.00 40.12 C ATOM 847 CG HIS A 61 -1.694 4.408 18.876 1.00 63.01 C ATOM 848 ND1 HIS A 61 -2.436 4.910 19.925 1.00 75.32 N ATOM 849 CD2 HIS A 61 -1.856 5.279 17.853 1.00 50.44 C ATOM 850 CE1 HIS A 61 -3.021 6.033 19.551 1.00 51.22 C ATOM 851 NE2 HIS A 61 -2.685 6.281 18.298 1.00 33.13 N ATOM 0 H HIS A 61 0.227 0.996 17.884 1.00 34.41 H new ATOM 0 HA HIS A 61 -2.464 1.667 18.916 1.00 33.30 H new ATOM 0 HB2 HIS A 61 -0.712 2.915 20.016 1.00 40.12 H new ATOM 0 HB3 HIS A 61 0.066 3.291 18.492 1.00 40.12 H new ATOM 0 HD2 HIS A 61 -1.416 5.201 16.870 1.00 50.44 H new ATOM 0 HE1 HIS A 61 -3.665 6.645 20.165 1.00 51.22 H new ATOM 0 HE2 HIS A 61 -2.991 7.085 17.750 1.00 33.13 H new ATOM 859 N TRP A 62 -3.298 2.793 16.820 1.00 41.44 N ATOM 860 CA TRP A 62 -3.869 3.181 15.535 1.00 0.43 C ATOM 861 C TRP A 62 -4.499 4.567 15.615 1.00 22.03 C ATOM 862 O TRP A 62 -4.892 5.021 16.691 1.00 52.32 O ATOM 863 CB TRP A 62 -4.913 2.157 15.087 1.00 61.22 C ATOM 864 CG TRP A 62 -4.314 0.879 14.585 1.00 34.51 C ATOM 865 CD1 TRP A 62 -3.722 -0.098 15.334 1.00 62.33 C ATOM 866 CD2 TRP A 62 -4.248 0.438 13.225 1.00 25.20 C ATOM 867 NE1 TRP A 62 -3.291 -1.119 14.522 1.00 40.32 N ATOM 868 CE2 TRP A 62 -3.603 -0.814 13.223 1.00 62.33 C ATOM 869 CE3 TRP A 62 -4.673 0.979 12.008 1.00 74.43 C ATOM 870 CZ2 TRP A 62 -3.373 -1.531 12.051 1.00 54.24 C ATOM 871 CZ3 TRP A 62 -4.443 0.267 10.847 1.00 21.03 C ATOM 872 CH2 TRP A 62 -3.799 -0.977 10.874 1.00 61.32 C ATOM 0 H TRP A 62 -3.921 2.928 17.616 1.00 41.44 H new ATOM 0 HA TRP A 62 -3.063 3.211 14.802 1.00 0.43 H new ATOM 0 HB2 TRP A 62 -5.576 1.935 15.923 1.00 61.22 H new ATOM 0 HB3 TRP A 62 -5.527 2.595 14.301 1.00 61.22 H new ATOM 0 HD1 TRP A 62 -3.609 -0.072 16.408 1.00 62.33 H new ATOM 0 HE1 TRP A 62 -2.816 -1.966 14.835 1.00 40.32 H new ATOM 0 HE3 TRP A 62 -5.172 1.936 11.976 1.00 74.43 H new ATOM 0 HZ2 TRP A 62 -2.876 -2.490 12.070 1.00 54.24 H new ATOM 0 HZ3 TRP A 62 -4.765 0.677 9.901 1.00 21.03 H new ATOM 0 HH2 TRP A 62 -3.636 -1.509 9.948 1.00 61.32 H new ATOM 883 N THR A 63 -4.594 5.237 14.471 1.00 25.04 N ATOM 884 CA THR A 63 -5.177 6.572 14.412 1.00 11.23 C ATOM 885 C THR A 63 -5.872 6.810 13.076 1.00 41.52 C ATOM 886 O THR A 63 -5.465 6.269 12.049 1.00 42.01 O ATOM 887 CB THR A 63 -4.108 7.660 14.624 1.00 61.01 C ATOM 888 OG1 THR A 63 -3.404 7.424 15.848 1.00 64.23 O ATOM 889 CG2 THR A 63 -4.743 9.043 14.658 1.00 13.53 C ATOM 0 H THR A 63 -4.274 4.877 13.572 1.00 25.04 H new ATOM 0 HA THR A 63 -5.911 6.633 15.215 1.00 11.23 H new ATOM 0 HB THR A 63 -3.409 7.618 13.789 1.00 61.01 H new ATOM 0 HG1 THR A 63 -3.116 8.279 16.230 1.00 64.23 H new ATOM 0 HG21 THR A 63 -3.969 9.795 14.809 1.00 13.53 H new ATOM 0 HG22 THR A 63 -5.254 9.232 13.714 1.00 13.53 H new ATOM 0 HG23 THR A 63 -5.462 9.093 15.476 1.00 13.53 H new ATOM 897 N ALA A 64 -6.920 7.626 13.097 1.00 24.41 N ATOM 898 CA ALA A 64 -7.670 7.939 11.886 1.00 73.43 C ATOM 899 C ALA A 64 -7.808 9.446 11.701 1.00 13.24 C ATOM 900 O ALA A 64 -8.295 10.150 12.585 1.00 30.53 O ATOM 901 CB ALA A 64 -9.043 7.283 11.931 1.00 34.23 C ATOM 0 H ALA A 64 -7.270 8.083 13.939 1.00 24.41 H new ATOM 0 HA ALA A 64 -7.118 7.543 11.033 1.00 73.43 H new ATOM 0 HB1 ALA A 64 -9.592 7.525 11.021 1.00 34.23 H new ATOM 0 HB2 ALA A 64 -8.927 6.202 12.008 1.00 34.23 H new ATOM 0 HB3 ALA A 64 -9.594 7.652 12.796 1.00 34.23 H new ATOM 907 N LYS A 65 -7.375 9.936 10.544 1.00 51.11 N ATOM 908 CA LYS A 65 -7.450 11.361 10.241 1.00 12.14 C ATOM 909 C LYS A 65 -7.922 11.587 8.808 1.00 51.04 C ATOM 910 O LYS A 65 -7.799 10.707 7.958 1.00 11.21 O ATOM 911 CB LYS A 65 -6.085 12.020 10.449 1.00 15.14 C ATOM 912 CG LYS A 65 -5.002 11.480 9.531 1.00 13.22 C ATOM 913 CD LYS A 65 -4.330 10.252 10.122 1.00 61.41 C ATOM 914 CE LYS A 65 -2.911 10.557 10.576 1.00 14.03 C ATOM 915 NZ LYS A 65 -2.886 11.531 11.703 1.00 12.42 N ATOM 0 H LYS A 65 -6.969 9.368 9.801 1.00 51.11 H new ATOM 0 HA LYS A 65 -8.173 11.814 10.920 1.00 12.14 H new ATOM 0 HB2 LYS A 65 -6.182 13.094 10.290 1.00 15.14 H new ATOM 0 HB3 LYS A 65 -5.776 11.877 11.485 1.00 15.14 H new ATOM 0 HG2 LYS A 65 -5.436 11.228 8.564 1.00 13.22 H new ATOM 0 HG3 LYS A 65 -4.255 12.254 9.353 1.00 13.22 H new ATOM 0 HD2 LYS A 65 -4.913 9.888 10.968 1.00 61.41 H new ATOM 0 HD3 LYS A 65 -4.312 9.453 9.380 1.00 61.41 H new ATOM 0 HE2 LYS A 65 -2.422 9.633 10.884 1.00 14.03 H new ATOM 0 HE3 LYS A 65 -2.340 10.956 9.738 1.00 14.03 H new ATOM 0 HZ1 LYS A 65 -1.905 11.674 12.017 1.00 12.42 H new ATOM 0 HZ2 LYS A 65 -3.284 12.438 11.387 1.00 12.42 H new ATOM 0 HZ3 LYS A 65 -3.452 11.162 12.494 1.00 12.42 H new ATOM 929 N ASN A 66 -8.462 12.773 8.549 1.00 43.31 N ATOM 930 CA ASN A 66 -8.952 13.116 7.219 1.00 45.11 C ATOM 931 C ASN A 66 -8.424 14.478 6.777 1.00 72.22 C ATOM 932 O ASN A 66 -7.862 14.615 5.691 1.00 32.00 O ATOM 933 CB ASN A 66 -10.482 13.120 7.202 1.00 61.10 C ATOM 934 CG ASN A 66 -11.044 13.266 5.801 1.00 1.13 C ATOM 935 OD1 ASN A 66 -10.505 12.712 4.843 1.00 11.33 O ATOM 936 ND2 ASN A 66 -12.134 14.015 5.676 1.00 23.34 N ATOM 0 H ASN A 66 -8.571 13.513 9.243 1.00 43.31 H new ATOM 0 HA ASN A 66 -8.589 12.362 6.521 1.00 45.11 H new ATOM 0 HB2 ASN A 66 -10.850 12.194 7.644 1.00 61.10 H new ATOM 0 HB3 ASN A 66 -10.847 13.937 7.824 1.00 61.10 H new ATOM 0 HD21 ASN A 66 -12.558 14.150 4.758 1.00 23.34 H new ATOM 0 HD22 ASN A 66 -12.547 14.455 6.498 1.00 23.34 H new ATOM 943 N VAL A 67 -8.608 15.482 7.629 1.00 73.52 N ATOM 944 CA VAL A 67 -8.149 16.832 7.329 1.00 41.44 C ATOM 945 C VAL A 67 -6.850 17.147 8.063 1.00 52.42 C ATOM 946 O VAL A 67 -6.663 18.253 8.569 1.00 13.44 O ATOM 947 CB VAL A 67 -9.208 17.883 7.709 1.00 70.54 C ATOM 948 CG1 VAL A 67 -9.117 19.091 6.790 1.00 54.42 C ATOM 949 CG2 VAL A 67 -10.602 17.274 7.666 1.00 54.10 C ATOM 0 H VAL A 67 -9.072 15.385 8.532 1.00 73.52 H new ATOM 0 HA VAL A 67 -7.975 16.875 6.254 1.00 41.44 H new ATOM 0 HB VAL A 67 -9.013 18.217 8.728 1.00 70.54 H new ATOM 0 HG11 VAL A 67 -9.873 19.822 7.075 1.00 54.42 H new ATOM 0 HG12 VAL A 67 -8.128 19.540 6.876 1.00 54.42 H new ATOM 0 HG13 VAL A 67 -9.285 18.778 5.760 1.00 54.42 H new ATOM 0 HG21 VAL A 67 -11.338 18.031 7.937 1.00 54.10 H new ATOM 0 HG22 VAL A 67 -10.809 16.910 6.660 1.00 54.10 H new ATOM 0 HG23 VAL A 67 -10.658 16.444 8.370 1.00 54.10 H new ATOM 959 N GLY A 68 -5.954 16.166 8.117 1.00 73.24 N ATOM 960 CA GLY A 68 -4.684 16.358 8.791 1.00 34.31 C ATOM 961 C GLY A 68 -3.697 17.147 7.954 1.00 51.20 C ATOM 962 O GLY A 68 -2.565 17.383 8.376 1.00 15.43 O ATOM 0 H GLY A 68 -6.085 15.242 7.706 1.00 73.24 H new ATOM 0 HA2 GLY A 68 -4.852 16.877 9.735 1.00 34.31 H new ATOM 0 HA3 GLY A 68 -4.254 15.386 9.034 1.00 34.31 H new ATOM 966 N TRP A 69 -4.126 17.555 6.765 1.00 74.31 N ATOM 967 CA TRP A 69 -3.270 18.321 5.867 1.00 44.40 C ATOM 968 C TRP A 69 -3.790 19.745 5.702 1.00 24.13 C ATOM 969 O TRP A 69 -3.031 20.659 5.385 1.00 42.32 O ATOM 970 CB TRP A 69 -3.185 17.635 4.502 1.00 63.01 C ATOM 971 CG TRP A 69 -4.466 16.973 4.090 1.00 13.14 C ATOM 972 CD1 TRP A 69 -4.826 15.675 4.315 1.00 40.41 C ATOM 973 CD2 TRP A 69 -5.553 17.575 3.380 1.00 53.42 C ATOM 974 NE1 TRP A 69 -6.071 15.434 3.788 1.00 31.21 N ATOM 975 CE2 TRP A 69 -6.539 16.584 3.209 1.00 52.11 C ATOM 976 CE3 TRP A 69 -5.790 18.856 2.872 1.00 73.33 C ATOM 977 CZ2 TRP A 69 -7.741 16.835 2.553 1.00 45.14 C ATOM 978 CZ3 TRP A 69 -6.983 19.104 2.222 1.00 43.31 C ATOM 979 CH2 TRP A 69 -7.947 18.098 2.067 1.00 42.01 C ATOM 0 H TRP A 69 -5.060 17.368 6.401 1.00 74.31 H new ATOM 0 HA TRP A 69 -2.273 18.367 6.306 1.00 44.40 H new ATOM 0 HB2 TRP A 69 -2.907 18.373 3.749 1.00 63.01 H new ATOM 0 HB3 TRP A 69 -2.390 16.889 4.527 1.00 63.01 H new ATOM 0 HD1 TRP A 69 -4.220 14.945 4.832 1.00 40.41 H new ATOM 0 HE1 TRP A 69 -6.567 14.543 3.822 1.00 31.21 H new ATOM 0 HE3 TRP A 69 -5.053 19.637 2.986 1.00 73.33 H new ATOM 0 HZ2 TRP A 69 -8.484 16.061 2.432 1.00 45.14 H new ATOM 0 HZ3 TRP A 69 -7.177 20.090 1.826 1.00 43.31 H new ATOM 0 HH2 TRP A 69 -8.870 18.324 1.554 1.00 42.01 H new ATOM 990 N ASN A 70 -5.089 19.926 5.921 1.00 33.22 N ATOM 991 CA ASN A 70 -5.709 21.239 5.797 1.00 3.23 C ATOM 992 C ASN A 70 -6.132 21.773 7.162 1.00 24.41 C ATOM 993 O ASN A 70 -5.899 22.936 7.485 1.00 61.05 O ATOM 994 CB ASN A 70 -6.922 21.167 4.866 1.00 20.22 C ATOM 995 CG ASN A 70 -6.683 21.875 3.547 1.00 52.42 C ATOM 996 OD1 ASN A 70 -5.560 21.905 3.041 1.00 24.22 O ATOM 997 ND2 ASN A 70 -7.738 22.450 2.984 1.00 20.20 N ATOM 0 H ASN A 70 -5.732 19.179 6.185 1.00 33.22 H new ATOM 0 HA ASN A 70 -4.973 21.922 5.373 1.00 3.23 H new ATOM 0 HB2 ASN A 70 -7.168 20.122 4.675 1.00 20.22 H new ATOM 0 HB3 ASN A 70 -7.784 21.612 5.363 1.00 20.22 H new ATOM 0 HD21 ASN A 70 -7.637 22.942 2.096 1.00 20.20 H new ATOM 0 HD22 ASN A 70 -8.650 22.400 3.439 1.00 20.20 H new ATOM 1004 N GLY A 71 -6.756 20.911 7.960 1.00 63.01 N ATOM 1005 CA GLY A 71 -7.201 21.313 9.281 1.00 63.14 C ATOM 1006 C GLY A 71 -8.025 22.585 9.253 1.00 44.22 C ATOM 1007 O GLY A 71 -7.707 23.557 9.941 1.00 40.21 O ATOM 0 H GLY A 71 -6.961 19.942 7.715 1.00 63.01 H new ATOM 0 HA2 GLY A 71 -7.792 20.510 9.722 1.00 63.14 H new ATOM 0 HA3 GLY A 71 -6.333 21.460 9.924 1.00 63.14 H new ATOM 1011 N THR A 72 -9.089 22.583 8.455 1.00 40.22 N ATOM 1012 CA THR A 72 -9.959 23.746 8.337 1.00 23.42 C ATOM 1013 C THR A 72 -11.427 23.345 8.433 1.00 44.42 C ATOM 1014 O THR A 72 -12.044 22.968 7.436 1.00 63.31 O ATOM 1015 CB THR A 72 -9.726 24.489 7.008 1.00 63.22 C ATOM 1016 OG1 THR A 72 -10.765 25.454 6.798 1.00 75.42 O ATOM 1017 CG2 THR A 72 -9.690 23.514 5.842 1.00 63.30 C ATOM 0 H THR A 72 -9.368 21.788 7.881 1.00 40.22 H new ATOM 0 HA THR A 72 -9.712 24.412 9.164 1.00 23.42 H new ATOM 0 HB THR A 72 -8.764 24.998 7.065 1.00 63.22 H new ATOM 0 HG1 THR A 72 -10.609 25.923 5.952 1.00 75.42 H new ATOM 0 HG21 THR A 72 -9.524 24.062 4.914 1.00 63.30 H new ATOM 0 HG22 THR A 72 -8.881 22.799 5.990 1.00 63.30 H new ATOM 0 HG23 THR A 72 -10.639 22.981 5.784 1.00 63.30 H new ATOM 1025 N LEU A 73 -11.982 23.431 9.637 1.00 12.31 N ATOM 1026 CA LEU A 73 -13.379 23.079 9.863 1.00 23.45 C ATOM 1027 C LEU A 73 -14.055 24.092 10.780 1.00 45.42 C ATOM 1028 O LEU A 73 -13.387 24.834 11.500 1.00 24.51 O ATOM 1029 CB LEU A 73 -13.481 21.678 10.469 1.00 34.43 C ATOM 1030 CG LEU A 73 -14.802 20.943 10.244 1.00 1.24 C ATOM 1031 CD1 LEU A 73 -14.548 19.497 9.846 1.00 61.42 C ATOM 1032 CD2 LEU A 73 -15.670 21.012 11.492 1.00 31.34 C ATOM 0 H LEU A 73 -11.485 23.742 10.472 1.00 12.31 H new ATOM 0 HA LEU A 73 -13.891 23.090 8.901 1.00 23.45 H new ATOM 0 HB2 LEU A 73 -12.675 21.068 10.061 1.00 34.43 H new ATOM 0 HB3 LEU A 73 -13.310 21.755 11.543 1.00 34.43 H new ATOM 0 HG LEU A 73 -15.334 21.433 9.429 1.00 1.24 H new ATOM 0 HD11 LEU A 73 -15.500 18.990 9.690 1.00 61.42 H new ATOM 0 HD12 LEU A 73 -13.967 19.470 8.924 1.00 61.42 H new ATOM 0 HD13 LEU A 73 -13.994 18.993 10.638 1.00 61.42 H new ATOM 0 HD21 LEU A 73 -16.606 20.484 11.314 1.00 31.34 H new ATOM 0 HD22 LEU A 73 -15.145 20.548 12.327 1.00 31.34 H new ATOM 0 HD23 LEU A 73 -15.881 22.054 11.731 1.00 31.34 H new ATOM 1044 N ALA A 74 -15.384 24.116 10.749 1.00 41.05 N ATOM 1045 CA ALA A 74 -16.150 25.036 11.581 1.00 71.44 C ATOM 1046 C ALA A 74 -16.343 24.475 12.986 1.00 15.31 C ATOM 1047 O ALA A 74 -16.179 23.279 13.231 1.00 13.41 O ATOM 1048 CB ALA A 74 -17.498 25.330 10.939 1.00 13.35 C ATOM 0 H ALA A 74 -15.952 23.509 10.157 1.00 41.05 H new ATOM 0 HA ALA A 74 -15.588 25.966 11.663 1.00 71.44 H new ATOM 0 HB1 ALA A 74 -18.060 26.018 11.571 1.00 13.35 H new ATOM 0 HB2 ALA A 74 -17.344 25.781 9.959 1.00 13.35 H new ATOM 0 HB3 ALA A 74 -18.058 24.402 10.827 1.00 13.35 H new ATOM 1054 N PRO A 75 -16.698 25.356 13.933 1.00 3.21 N ATOM 1055 CA PRO A 75 -16.920 24.971 15.330 1.00 40.54 C ATOM 1056 C PRO A 75 -18.177 24.127 15.506 1.00 20.04 C ATOM 1057 O PRO A 75 -18.431 23.590 16.583 1.00 35.02 O ATOM 1058 CB PRO A 75 -17.073 26.315 16.048 1.00 20.12 C ATOM 1059 CG PRO A 75 -17.547 27.255 14.995 1.00 44.22 C ATOM 1060 CD PRO A 75 -16.911 26.796 13.712 1.00 15.40 C ATOM 0 HA PRO A 75 -16.108 24.355 15.717 1.00 40.54 H new ATOM 0 HB2 PRO A 75 -17.788 26.247 16.868 1.00 20.12 H new ATOM 0 HB3 PRO A 75 -16.127 26.645 16.476 1.00 20.12 H new ATOM 0 HG2 PRO A 75 -18.634 27.239 14.919 1.00 44.22 H new ATOM 0 HG3 PRO A 75 -17.259 28.280 15.228 1.00 44.22 H new ATOM 0 HD2 PRO A 75 -17.558 26.979 12.854 1.00 15.40 H new ATOM 0 HD3 PRO A 75 -15.973 27.316 13.520 1.00 15.40 H new ATOM 1068 N GLY A 76 -18.963 24.014 14.438 1.00 72.20 N ATOM 1069 CA GLY A 76 -20.184 23.233 14.496 1.00 24.52 C ATOM 1070 C GLY A 76 -20.399 22.398 13.249 1.00 70.01 C ATOM 1071 O GLY A 76 -20.575 22.935 12.157 1.00 44.32 O ATOM 0 H GLY A 76 -18.775 24.449 13.535 1.00 72.20 H new ATOM 0 HA2 GLY A 76 -20.152 22.578 15.367 1.00 24.52 H new ATOM 0 HA3 GLY A 76 -21.033 23.902 14.632 1.00 24.52 H new ATOM 1075 N ALA A 77 -20.382 21.079 13.413 1.00 31.03 N ATOM 1076 CA ALA A 77 -20.576 20.168 12.291 1.00 61.44 C ATOM 1077 C ALA A 77 -20.526 18.715 12.749 1.00 32.31 C ATOM 1078 O ALA A 77 -20.201 18.428 13.901 1.00 74.34 O ATOM 1079 CB ALA A 77 -19.528 20.421 11.218 1.00 55.32 C ATOM 0 H ALA A 77 -20.236 20.618 14.311 1.00 31.03 H new ATOM 0 HA ALA A 77 -21.564 20.355 11.870 1.00 61.44 H new ATOM 0 HB1 ALA A 77 -19.685 19.734 10.387 1.00 55.32 H new ATOM 0 HB2 ALA A 77 -19.613 21.447 10.861 1.00 55.32 H new ATOM 0 HB3 ALA A 77 -18.534 20.263 11.636 1.00 55.32 H new ATOM 1085 N SER A 78 -20.852 17.801 11.841 1.00 31.24 N ATOM 1086 CA SER A 78 -20.849 16.377 12.154 1.00 14.12 C ATOM 1087 C SER A 78 -20.468 15.552 10.928 1.00 0.31 C ATOM 1088 O SER A 78 -21.008 15.750 9.840 1.00 5.44 O ATOM 1089 CB SER A 78 -22.222 15.943 12.669 1.00 11.15 C ATOM 1090 OG SER A 78 -23.229 16.185 11.701 1.00 31.15 O ATOM 0 H SER A 78 -21.122 18.021 10.882 1.00 31.24 H new ATOM 0 HA SER A 78 -20.106 16.203 12.932 1.00 14.12 H new ATOM 0 HB2 SER A 78 -22.201 14.882 12.920 1.00 11.15 H new ATOM 0 HB3 SER A 78 -22.457 16.483 13.586 1.00 11.15 H new ATOM 0 HG SER A 78 -22.844 16.109 10.803 1.00 31.15 H new ATOM 1096 N VAL A 79 -19.533 14.625 11.113 1.00 3.15 N ATOM 1097 CA VAL A 79 -19.080 13.769 10.023 1.00 4.22 C ATOM 1098 C VAL A 79 -18.727 12.375 10.530 1.00 50.21 C ATOM 1099 O VAL A 79 -18.302 12.209 11.673 1.00 13.33 O ATOM 1100 CB VAL A 79 -17.855 14.369 9.308 1.00 72.24 C ATOM 1101 CG1 VAL A 79 -17.508 13.559 8.069 1.00 31.31 C ATOM 1102 CG2 VAL A 79 -18.109 15.826 8.949 1.00 33.32 C ATOM 0 H VAL A 79 -19.075 14.448 12.007 1.00 3.15 H new ATOM 0 HA VAL A 79 -19.905 13.697 9.314 1.00 4.22 H new ATOM 0 HB VAL A 79 -17.004 14.328 9.988 1.00 72.24 H new ATOM 0 HG11 VAL A 79 -16.640 13.999 7.578 1.00 31.31 H new ATOM 0 HG12 VAL A 79 -17.280 12.533 8.357 1.00 31.31 H new ATOM 0 HG13 VAL A 79 -18.354 13.564 7.382 1.00 31.31 H new ATOM 0 HG21 VAL A 79 -17.233 16.234 8.445 1.00 33.32 H new ATOM 0 HG22 VAL A 79 -18.973 15.892 8.288 1.00 33.32 H new ATOM 0 HG23 VAL A 79 -18.303 16.396 9.858 1.00 33.32 H new ATOM 1112 N SER A 80 -18.905 11.376 9.672 1.00 42.31 N ATOM 1113 CA SER A 80 -18.607 9.995 10.033 1.00 42.33 C ATOM 1114 C SER A 80 -17.727 9.334 8.977 1.00 30.03 C ATOM 1115 O SER A 80 -17.736 9.727 7.810 1.00 63.03 O ATOM 1116 CB SER A 80 -19.903 9.200 10.204 1.00 40.24 C ATOM 1117 OG SER A 80 -19.765 7.884 9.697 1.00 61.02 O ATOM 0 H SER A 80 -19.254 11.497 8.721 1.00 42.31 H new ATOM 0 HA SER A 80 -18.065 10.002 10.979 1.00 42.33 H new ATOM 0 HB2 SER A 80 -20.172 9.160 11.259 1.00 40.24 H new ATOM 0 HB3 SER A 80 -20.716 9.709 9.687 1.00 40.24 H new ATOM 0 HG SER A 80 -20.606 7.396 9.820 1.00 61.02 H new ATOM 1123 N PHE A 81 -16.968 8.327 9.394 1.00 75.20 N ATOM 1124 CA PHE A 81 -16.081 7.611 8.485 1.00 33.22 C ATOM 1125 C PHE A 81 -16.064 6.119 8.805 1.00 34.24 C ATOM 1126 O PHE A 81 -16.044 5.722 9.970 1.00 25.32 O ATOM 1127 CB PHE A 81 -14.662 8.179 8.571 1.00 21.45 C ATOM 1128 CG PHE A 81 -13.937 7.792 9.829 1.00 43.53 C ATOM 1129 CD1 PHE A 81 -14.028 8.580 10.966 1.00 13.44 C ATOM 1130 CD2 PHE A 81 -13.165 6.643 9.875 1.00 30.43 C ATOM 1131 CE1 PHE A 81 -13.361 8.228 12.124 1.00 35.22 C ATOM 1132 CE2 PHE A 81 -12.497 6.286 11.030 1.00 34.25 C ATOM 1133 CZ PHE A 81 -12.595 7.079 12.157 1.00 32.45 C ATOM 0 H PHE A 81 -16.949 7.988 10.356 1.00 75.20 H new ATOM 0 HA PHE A 81 -16.457 7.743 7.470 1.00 33.22 H new ATOM 0 HB2 PHE A 81 -14.089 7.835 7.710 1.00 21.45 H new ATOM 0 HB3 PHE A 81 -14.710 9.266 8.508 1.00 21.45 H new ATOM 0 HD1 PHE A 81 -14.627 9.479 10.947 1.00 13.44 H new ATOM 0 HD2 PHE A 81 -13.084 6.019 8.997 1.00 30.43 H new ATOM 0 HE1 PHE A 81 -13.439 8.851 13.003 1.00 35.22 H new ATOM 0 HE2 PHE A 81 -11.898 5.387 11.052 1.00 34.25 H new ATOM 0 HZ PHE A 81 -12.074 6.801 13.061 1.00 32.45 H new ATOM 1143 N GLY A 82 -16.072 5.296 7.761 1.00 13.52 N ATOM 1144 CA GLY A 82 -16.057 3.857 7.950 1.00 71.34 C ATOM 1145 C GLY A 82 -14.807 3.210 7.388 1.00 12.15 C ATOM 1146 O GLY A 82 -13.988 3.874 6.753 1.00 4.24 O ATOM 0 H GLY A 82 -16.089 5.600 6.788 1.00 13.52 H new ATOM 0 HA2 GLY A 82 -16.131 3.633 9.014 1.00 71.34 H new ATOM 0 HA3 GLY A 82 -16.934 3.422 7.471 1.00 71.34 H new ATOM 1150 N PHE A 83 -14.658 1.911 7.623 1.00 25.15 N ATOM 1151 CA PHE A 83 -13.497 1.174 7.137 1.00 2.24 C ATOM 1152 C PHE A 83 -13.701 -0.330 7.297 1.00 43.24 C ATOM 1153 O PHE A 83 -14.721 -0.777 7.819 1.00 63.34 O ATOM 1154 CB PHE A 83 -12.238 1.613 7.887 1.00 31.34 C ATOM 1155 CG PHE A 83 -12.166 1.091 9.294 1.00 4.10 C ATOM 1156 CD1 PHE A 83 -11.607 -0.149 9.559 1.00 50.33 C ATOM 1157 CD2 PHE A 83 -12.658 1.840 10.351 1.00 3.44 C ATOM 1158 CE1 PHE A 83 -11.538 -0.632 10.852 1.00 60.00 C ATOM 1159 CE2 PHE A 83 -12.592 1.362 11.645 1.00 70.24 C ATOM 1160 CZ PHE A 83 -12.033 0.125 11.896 1.00 61.41 C ATOM 0 H PHE A 83 -15.327 1.346 8.147 1.00 25.15 H new ATOM 0 HA PHE A 83 -13.375 1.395 6.077 1.00 2.24 H new ATOM 0 HB2 PHE A 83 -11.360 1.274 7.337 1.00 31.34 H new ATOM 0 HB3 PHE A 83 -12.199 2.702 7.910 1.00 31.34 H new ATOM 0 HD1 PHE A 83 -11.221 -0.745 8.745 1.00 50.33 H new ATOM 0 HD2 PHE A 83 -13.098 2.808 10.161 1.00 3.44 H new ATOM 0 HE1 PHE A 83 -11.098 -1.599 11.046 1.00 60.00 H new ATOM 0 HE2 PHE A 83 -12.978 1.956 12.460 1.00 70.24 H new ATOM 0 HZ PHE A 83 -11.983 -0.250 12.907 1.00 61.41 H new ATOM 1170 N ASN A 84 -12.721 -1.105 6.844 1.00 62.30 N ATOM 1171 CA ASN A 84 -12.793 -2.559 6.936 1.00 13.12 C ATOM 1172 C ASN A 84 -11.506 -3.131 7.524 1.00 43.21 C ATOM 1173 O ASN A 84 -10.413 -2.864 7.027 1.00 53.14 O ATOM 1174 CB ASN A 84 -13.050 -3.166 5.556 1.00 14.41 C ATOM 1175 CG ASN A 84 -12.662 -4.631 5.487 1.00 22.15 C ATOM 1176 OD1 ASN A 84 -12.798 -5.367 6.465 1.00 15.21 O ATOM 1177 ND2 ASN A 84 -12.177 -5.061 4.328 1.00 25.50 N ATOM 0 H ASN A 84 -11.868 -0.751 6.410 1.00 62.30 H new ATOM 0 HA ASN A 84 -13.620 -2.816 7.598 1.00 13.12 H new ATOM 0 HB2 ASN A 84 -14.106 -3.061 5.307 1.00 14.41 H new ATOM 0 HB3 ASN A 84 -12.488 -2.609 4.807 1.00 14.41 H new ATOM 0 HD21 ASN A 84 -11.900 -6.037 4.222 1.00 25.50 H new ATOM 0 HD22 ASN A 84 -12.082 -4.415 3.544 1.00 25.50 H new ATOM 1184 N GLY A 85 -11.646 -3.920 8.586 1.00 41.30 N ATOM 1185 CA GLY A 85 -10.487 -4.516 9.223 1.00 32.44 C ATOM 1186 C GLY A 85 -10.655 -6.005 9.454 1.00 2.00 C ATOM 1187 O GLY A 85 -11.777 -6.499 9.568 1.00 33.21 O ATOM 0 H GLY A 85 -12.541 -4.156 9.015 1.00 41.30 H new ATOM 0 HA2 GLY A 85 -9.607 -4.344 8.603 1.00 32.44 H new ATOM 0 HA3 GLY A 85 -10.306 -4.021 10.177 1.00 32.44 H new ATOM 1191 N SER A 86 -9.538 -6.722 9.520 1.00 72.32 N ATOM 1192 CA SER A 86 -9.567 -8.165 9.734 1.00 41.31 C ATOM 1193 C SER A 86 -9.383 -8.500 11.211 1.00 12.20 C ATOM 1194 O SER A 86 -8.298 -8.333 11.766 1.00 31.02 O ATOM 1195 CB SER A 86 -8.476 -8.846 8.905 1.00 44.42 C ATOM 1196 OG SER A 86 -8.811 -10.196 8.632 1.00 62.41 O ATOM 0 H SER A 86 -8.602 -6.328 9.428 1.00 72.32 H new ATOM 0 HA SER A 86 -10.541 -8.535 9.415 1.00 41.31 H new ATOM 0 HB2 SER A 86 -8.336 -8.306 7.968 1.00 44.42 H new ATOM 0 HB3 SER A 86 -7.528 -8.805 9.441 1.00 44.42 H new ATOM 0 HG SER A 86 -8.099 -10.609 8.100 1.00 62.41 H new ATOM 1202 N GLY A 87 -10.453 -8.973 11.842 1.00 30.44 N ATOM 1203 CA GLY A 87 -10.390 -9.324 13.248 1.00 32.41 C ATOM 1204 C GLY A 87 -11.754 -9.327 13.907 1.00 22.30 C ATOM 1205 O GLY A 87 -12.788 -9.414 13.244 1.00 54.54 O ATOM 0 H GLY A 87 -11.363 -9.119 11.404 1.00 30.44 H new ATOM 0 HA2 GLY A 87 -9.937 -10.310 13.353 1.00 32.41 H new ATOM 0 HA3 GLY A 87 -9.741 -8.618 13.767 1.00 32.41 H new ATOM 1209 N PRO A 88 -11.770 -9.231 15.246 1.00 24.24 N ATOM 1210 CA PRO A 88 -13.012 -9.222 16.023 1.00 62.33 C ATOM 1211 C PRO A 88 -13.811 -7.938 15.825 1.00 21.34 C ATOM 1212 O PRO A 88 -15.035 -7.971 15.701 1.00 43.31 O ATOM 1213 CB PRO A 88 -12.525 -9.330 17.470 1.00 60.41 C ATOM 1214 CG PRO A 88 -11.144 -8.772 17.448 1.00 63.03 C ATOM 1215 CD PRO A 88 -10.577 -9.125 16.101 1.00 15.10 C ATOM 0 HA PRO A 88 -13.686 -10.025 15.724 1.00 62.33 H new ATOM 0 HB2 PRO A 88 -13.168 -8.768 18.147 1.00 60.41 H new ATOM 0 HB3 PRO A 88 -12.528 -10.365 17.813 1.00 60.41 H new ATOM 0 HG2 PRO A 88 -11.157 -7.692 17.595 1.00 63.03 H new ATOM 0 HG3 PRO A 88 -10.539 -9.196 18.249 1.00 63.03 H new ATOM 0 HD2 PRO A 88 -9.891 -8.359 15.740 1.00 15.10 H new ATOM 0 HD3 PRO A 88 -10.020 -10.062 16.132 1.00 15.10 H new ATOM 1223 N GLY A 89 -13.111 -6.809 15.797 1.00 12.24 N ATOM 1224 CA GLY A 89 -13.772 -5.530 15.612 1.00 72.34 C ATOM 1225 C GLY A 89 -14.188 -4.898 16.926 1.00 51.11 C ATOM 1226 O GLY A 89 -15.140 -4.120 16.974 1.00 62.50 O ATOM 0 H GLY A 89 -12.097 -6.757 15.899 1.00 12.24 H new ATOM 0 HA2 GLY A 89 -13.103 -4.852 15.082 1.00 72.34 H new ATOM 0 HA3 GLY A 89 -14.652 -5.667 14.983 1.00 72.34 H new ATOM 1230 N SER A 90 -13.473 -5.234 17.995 1.00 20.12 N ATOM 1231 CA SER A 90 -13.776 -4.698 19.316 1.00 73.52 C ATOM 1232 C SER A 90 -12.653 -3.789 19.805 1.00 52.54 C ATOM 1233 O SER A 90 -11.871 -4.143 20.688 1.00 63.00 O ATOM 1234 CB SER A 90 -13.995 -5.837 20.314 1.00 22.50 C ATOM 1235 OG SER A 90 -15.236 -6.482 20.087 1.00 5.42 O ATOM 0 H SER A 90 -12.680 -5.875 17.972 1.00 20.12 H new ATOM 0 HA SER A 90 -14.690 -4.109 19.240 1.00 73.52 H new ATOM 0 HB2 SER A 90 -13.184 -6.561 20.228 1.00 22.50 H new ATOM 0 HB3 SER A 90 -13.966 -5.445 21.331 1.00 22.50 H new ATOM 0 HG SER A 90 -15.352 -7.207 20.736 1.00 5.42 H new ATOM 1241 N PRO A 91 -12.569 -2.585 19.218 1.00 21.02 N ATOM 1242 CA PRO A 91 -11.546 -1.599 19.577 1.00 4.44 C ATOM 1243 C PRO A 91 -11.767 -1.013 20.967 1.00 25.04 C ATOM 1244 O PRO A 91 -12.855 -1.126 21.532 1.00 31.33 O ATOM 1245 CB PRO A 91 -11.707 -0.515 18.507 1.00 25.45 C ATOM 1246 CG PRO A 91 -13.123 -0.635 18.057 1.00 23.52 C ATOM 1247 CD PRO A 91 -13.468 -2.096 18.159 1.00 15.51 C ATOM 0 HA PRO A 91 -10.550 -2.040 19.610 1.00 4.44 H new ATOM 0 HB2 PRO A 91 -11.503 0.476 18.913 1.00 25.45 H new ATOM 0 HB3 PRO A 91 -11.014 -0.669 17.680 1.00 25.45 H new ATOM 0 HG2 PRO A 91 -13.783 -0.034 18.682 1.00 23.52 H new ATOM 0 HG3 PRO A 91 -13.239 -0.277 17.034 1.00 23.52 H new ATOM 0 HD2 PRO A 91 -14.516 -2.244 18.421 1.00 15.51 H new ATOM 0 HD3 PRO A 91 -13.298 -2.616 17.216 1.00 15.51 H new ATOM 1255 N SER A 92 -10.730 -0.385 21.512 1.00 32.15 N ATOM 1256 CA SER A 92 -10.811 0.215 22.837 1.00 73.31 C ATOM 1257 C SER A 92 -9.916 1.447 22.930 1.00 63.34 C ATOM 1258 O SER A 92 -9.155 1.747 22.011 1.00 22.15 O ATOM 1259 CB SER A 92 -10.409 -0.803 23.907 1.00 41.12 C ATOM 1260 OG SER A 92 -9.045 -1.164 23.781 1.00 41.24 O ATOM 0 H SER A 92 -9.824 -0.279 21.056 1.00 32.15 H new ATOM 0 HA SER A 92 -11.843 0.522 23.008 1.00 73.31 H new ATOM 0 HB2 SER A 92 -10.587 -0.384 24.897 1.00 41.12 H new ATOM 0 HB3 SER A 92 -11.033 -1.692 23.820 1.00 41.12 H new ATOM 0 HG SER A 92 -8.813 -1.814 24.477 1.00 41.24 H new ATOM 1266 N ASN A 93 -10.013 2.158 24.050 1.00 44.22 N ATOM 1267 CA ASN A 93 -9.214 3.359 24.264 1.00 71.50 C ATOM 1268 C ASN A 93 -9.563 4.435 23.241 1.00 33.04 C ATOM 1269 O ASN A 93 -8.678 5.015 22.609 1.00 3.43 O ATOM 1270 CB ASN A 93 -7.723 3.025 24.183 1.00 2.44 C ATOM 1271 CG ASN A 93 -6.890 3.865 25.132 1.00 14.54 C ATOM 1272 OD1 ASN A 93 -7.402 4.771 25.790 1.00 21.04 O ATOM 1273 ND2 ASN A 93 -5.598 3.567 25.205 1.00 74.14 N ATOM 0 H ASN A 93 -10.637 1.923 24.822 1.00 44.22 H new ATOM 0 HA ASN A 93 -9.440 3.743 25.259 1.00 71.50 H new ATOM 0 HB2 ASN A 93 -7.577 1.970 24.413 1.00 2.44 H new ATOM 0 HB3 ASN A 93 -7.374 3.180 23.162 1.00 2.44 H new ATOM 0 HD21 ASN A 93 -4.986 4.098 25.825 1.00 74.14 H new ATOM 0 HD22 ASN A 93 -5.217 2.807 24.641 1.00 74.14 H new ATOM 1280 N CYS A 94 -10.855 4.696 23.082 1.00 64.22 N ATOM 1281 CA CYS A 94 -11.321 5.703 22.135 1.00 21.41 C ATOM 1282 C CYS A 94 -10.931 7.104 22.594 1.00 73.02 C ATOM 1283 O CYS A 94 -11.612 7.711 23.422 1.00 2.12 O ATOM 1284 CB CYS A 94 -12.838 5.612 21.968 1.00 23.41 C ATOM 1285 SG CYS A 94 -13.451 3.934 21.688 1.00 4.44 S ATOM 0 H CYS A 94 -11.599 4.225 23.596 1.00 64.22 H new ATOM 0 HA CYS A 94 -10.844 5.510 21.174 1.00 21.41 H new ATOM 0 HB2 CYS A 94 -13.316 6.018 22.860 1.00 23.41 H new ATOM 0 HB3 CYS A 94 -13.139 6.242 21.131 1.00 23.41 H new ATOM 0 HG CYS A 94 -13.824 3.809 20.449 1.00 4.44 H new ATOM 1291 N LYS A 95 -9.829 7.613 22.054 1.00 4.40 N ATOM 1292 CA LYS A 95 -9.346 8.943 22.407 1.00 10.12 C ATOM 1293 C LYS A 95 -9.122 9.790 21.159 1.00 14.55 C ATOM 1294 O LYS A 95 -8.310 9.444 20.300 1.00 53.31 O ATOM 1295 CB LYS A 95 -8.045 8.839 23.207 1.00 43.01 C ATOM 1296 CG LYS A 95 -6.947 8.078 22.487 1.00 0.45 C ATOM 1297 CD LYS A 95 -6.527 6.839 23.259 1.00 24.20 C ATOM 1298 CE LYS A 95 -5.391 7.142 24.224 1.00 64.41 C ATOM 1299 NZ LYS A 95 -4.082 6.652 23.710 1.00 25.22 N ATOM 0 H LYS A 95 -9.253 7.124 21.369 1.00 4.40 H new ATOM 0 HA LYS A 95 -10.105 9.427 23.021 1.00 10.12 H new ATOM 0 HB2 LYS A 95 -7.689 9.843 23.437 1.00 43.01 H new ATOM 0 HB3 LYS A 95 -8.252 8.348 24.158 1.00 43.01 H new ATOM 0 HG2 LYS A 95 -7.294 7.789 21.495 1.00 0.45 H new ATOM 0 HG3 LYS A 95 -6.084 8.729 22.346 1.00 0.45 H new ATOM 0 HD2 LYS A 95 -7.381 6.447 23.812 1.00 24.20 H new ATOM 0 HD3 LYS A 95 -6.215 6.062 22.561 1.00 24.20 H new ATOM 0 HE2 LYS A 95 -5.335 8.217 24.393 1.00 64.41 H new ATOM 0 HE3 LYS A 95 -5.600 6.678 25.188 1.00 64.41 H new ATOM 0 HZ1 LYS A 95 -3.333 6.877 24.396 1.00 25.22 H new ATOM 0 HZ2 LYS A 95 -4.127 5.622 23.572 1.00 25.22 H new ATOM 0 HZ3 LYS A 95 -3.871 7.114 22.802 1.00 25.22 H new ATOM 1313 N LEU A 96 -9.845 10.900 21.065 1.00 21.45 N ATOM 1314 CA LEU A 96 -9.723 11.797 19.921 1.00 64.23 C ATOM 1315 C LEU A 96 -9.526 13.240 20.379 1.00 31.42 C ATOM 1316 O LEU A 96 -9.912 13.607 21.489 1.00 15.15 O ATOM 1317 CB LEU A 96 -10.967 11.697 19.035 1.00 53.45 C ATOM 1318 CG LEU A 96 -12.202 12.454 19.523 1.00 54.43 C ATOM 1319 CD1 LEU A 96 -12.540 13.594 18.574 1.00 34.14 C ATOM 1320 CD2 LEU A 96 -13.384 11.508 19.666 1.00 43.05 C ATOM 0 H LEU A 96 -10.522 11.201 21.767 1.00 21.45 H new ATOM 0 HA LEU A 96 -8.848 11.495 19.345 1.00 64.23 H new ATOM 0 HB2 LEU A 96 -10.711 12.063 18.041 1.00 53.45 H new ATOM 0 HB3 LEU A 96 -11.229 10.644 18.929 1.00 53.45 H new ATOM 0 HG LEU A 96 -11.981 12.878 20.502 1.00 54.43 H new ATOM 0 HD11 LEU A 96 -13.422 14.121 18.938 1.00 34.14 H new ATOM 0 HD12 LEU A 96 -11.699 14.286 18.522 1.00 34.14 H new ATOM 0 HD13 LEU A 96 -12.741 13.193 17.581 1.00 34.14 H new ATOM 0 HD21 LEU A 96 -14.255 12.064 20.014 1.00 43.05 H new ATOM 0 HD22 LEU A 96 -13.606 11.054 18.700 1.00 43.05 H new ATOM 0 HD23 LEU A 96 -13.140 10.727 20.386 1.00 43.05 H new ATOM 1332 N ASN A 97 -8.925 14.052 19.517 1.00 2.22 N ATOM 1333 CA ASN A 97 -8.679 15.455 19.832 1.00 60.51 C ATOM 1334 C ASN A 97 -7.709 15.586 21.003 1.00 62.10 C ATOM 1335 O ASN A 97 -7.751 16.563 21.750 1.00 30.21 O ATOM 1336 CB ASN A 97 -9.994 16.163 20.162 1.00 53.21 C ATOM 1337 CG ASN A 97 -9.847 17.672 20.184 1.00 43.43 C ATOM 1338 OD1 ASN A 97 -9.171 18.254 19.336 1.00 5.32 O ATOM 1339 ND2 ASN A 97 -10.483 18.314 21.158 1.00 32.20 N ATOM 0 H ASN A 97 -8.599 13.763 18.595 1.00 2.22 H new ATOM 0 HA ASN A 97 -8.231 15.926 18.957 1.00 60.51 H new ATOM 0 HB2 ASN A 97 -10.748 15.885 19.426 1.00 53.21 H new ATOM 0 HB3 ASN A 97 -10.354 15.821 21.132 1.00 53.21 H new ATOM 0 HD21 ASN A 97 -10.422 19.330 21.224 1.00 32.20 H new ATOM 0 HD22 ASN A 97 -11.032 17.791 21.840 1.00 32.20 H new ATOM 1346 N GLY A 98 -6.836 14.595 21.155 1.00 74.22 N ATOM 1347 CA GLY A 98 -5.868 14.619 22.237 1.00 43.33 C ATOM 1348 C GLY A 98 -6.451 14.131 23.547 1.00 61.25 C ATOM 1349 O GLY A 98 -6.198 14.713 24.602 1.00 21.55 O ATOM 0 H GLY A 98 -6.781 13.776 20.549 1.00 74.22 H new ATOM 0 HA2 GLY A 98 -5.013 13.998 21.969 1.00 43.33 H new ATOM 0 HA3 GLY A 98 -5.496 15.635 22.365 1.00 43.33 H new ATOM 1353 N GLY A 99 -7.235 13.059 23.482 1.00 63.25 N ATOM 1354 CA GLY A 99 -7.845 12.513 24.681 1.00 14.44 C ATOM 1355 C GLY A 99 -9.239 13.056 24.921 1.00 21.42 C ATOM 1356 O GLY A 99 -9.460 13.826 25.855 1.00 45.14 O ATOM 0 H GLY A 99 -7.459 12.559 22.621 1.00 63.25 H new ATOM 0 HA2 GLY A 99 -7.891 11.427 24.599 1.00 14.44 H new ATOM 0 HA3 GLY A 99 -7.216 12.742 25.541 1.00 14.44 H new ATOM 1360 N SER A 100 -10.183 12.654 24.076 1.00 22.31 N ATOM 1361 CA SER A 100 -11.563 13.110 24.198 1.00 22.14 C ATOM 1362 C SER A 100 -12.523 12.119 23.545 1.00 51.05 C ATOM 1363 O SER A 100 -12.300 11.673 22.419 1.00 42.02 O ATOM 1364 CB SER A 100 -11.725 14.490 23.560 1.00 51.20 C ATOM 1365 OG SER A 100 -10.527 15.241 23.657 1.00 60.01 O ATOM 0 H SER A 100 -10.018 12.014 23.300 1.00 22.31 H new ATOM 0 HA SER A 100 -11.804 13.178 25.259 1.00 22.14 H new ATOM 0 HB2 SER A 100 -12.004 14.379 22.512 1.00 51.20 H new ATOM 0 HB3 SER A 100 -12.536 15.028 24.051 1.00 51.20 H new ATOM 0 HG SER A 100 -9.878 14.908 23.003 1.00 60.01 H new ATOM 1371 N CYS A 101 -13.589 11.780 24.260 1.00 1.13 N ATOM 1372 CA CYS A 101 -14.583 10.842 23.752 1.00 20.13 C ATOM 1373 C CYS A 101 -15.710 10.642 24.761 1.00 14.42 C ATOM 1374 O CYS A 101 -15.469 10.262 25.907 1.00 1.22 O ATOM 1375 CB CYS A 101 -13.928 9.498 23.428 1.00 32.24 C ATOM 1376 SG CYS A 101 -14.508 8.745 21.890 1.00 51.13 S ATOM 0 H CYS A 101 -13.787 12.141 25.193 1.00 1.13 H new ATOM 0 HA CYS A 101 -15.008 11.261 22.840 1.00 20.13 H new ATOM 0 HB2 CYS A 101 -12.849 9.637 23.367 1.00 32.24 H new ATOM 0 HB3 CYS A 101 -14.114 8.808 24.251 1.00 32.24 H new ATOM 0 HG CYS A 101 -14.840 7.508 22.111 1.00 51.13 H new