USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 669 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 23 HIS : no HD1:sc= -0.51 X(o=0.11,f=0.16) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.618 K(o=0.11,f=-0.53) USER MOD Set 2.1: A 22 ASN : amide:sc= 1.08 K(o=2.3,f=-5.5!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.365 K(o=0.37,f=-0.23) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.058 USER MOD Single : A 21 GLN : amide:sc= -0.479 K(o=-0.48,f=-3.7!) USER MOD Single : A 26 ASN : amide:sc= 0.0464 X(o=0.046,f=-0.19) USER MOD Single : A 27 SER OG : rot -2:sc= 1.24 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.176 K(o=0.18,f=-0.36) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 55 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.8!) USER MOD Single : A 58 MET CE :methyl 177:sc= -0.0451 (180deg=-0.0628) USER MOD Single : A 65 HIS : no HD1:sc= 0.727 K(o=0.73,f=-7!) USER MOD Single : A 67 THR OG1 : rot -78:sc= 0.8 USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= 1.24 (180deg=0.968) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.113) USER MOD Single : A 75 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.575 11.504 0.947 1.00 24.33 N ATOM 2 CA GLY A 1 -13.999 11.171 0.812 1.00 41.21 C ATOM 3 C GLY A 1 -14.227 9.679 0.944 1.00 44.34 C ATOM 4 O GLY A 1 -13.912 9.107 1.989 1.00 53.24 O ATOM 0 H1 GLY A 1 -12.448 12.532 0.852 1.00 24.33 H new ATOM 0 H2 GLY A 1 -12.234 11.198 1.880 1.00 24.33 H new ATOM 0 H3 GLY A 1 -12.033 11.019 0.204 1.00 24.33 H new ATOM 0 HA2 GLY A 1 -14.572 11.698 1.574 1.00 41.21 H new ATOM 0 HA3 GLY A 1 -14.365 11.513 -0.156 1.00 41.21 H new ATOM 8 N ASN A 2 -14.793 9.026 -0.077 1.00 31.33 N ATOM 9 CA ASN A 2 -15.058 7.581 -0.063 1.00 41.24 C ATOM 10 C ASN A 2 -13.780 6.772 -0.309 1.00 1.04 C ATOM 11 O ASN A 2 -13.715 5.953 -1.222 1.00 2.31 O ATOM 12 CB ASN A 2 -16.209 7.172 -1.007 1.00 74.31 C ATOM 13 CG ASN A 2 -16.100 7.675 -2.442 1.00 33.22 C ATOM 14 OD1 ASN A 2 -16.816 8.602 -2.805 1.00 34.31 O ATOM 15 ND2 ASN A 2 -15.253 7.132 -3.291 1.00 61.10 N ATOM 0 H ASN A 2 -15.082 9.486 -0.940 1.00 31.33 H new ATOM 0 HA ASN A 2 -15.403 7.336 0.941 1.00 41.24 H new ATOM 0 HB2 ASN A 2 -16.268 6.084 -1.027 1.00 74.31 H new ATOM 0 HB3 ASN A 2 -17.146 7.535 -0.585 1.00 74.31 H new ATOM 0 HD21 ASN A 2 -15.194 7.483 -4.247 1.00 61.10 H new ATOM 0 HD22 ASN A 2 -14.656 6.361 -2.993 1.00 61.10 H new ATOM 22 N ARG A 3 -12.717 7.039 0.450 1.00 52.32 N ATOM 23 CA ARG A 3 -11.455 6.328 0.344 1.00 61.43 C ATOM 24 C ARG A 3 -10.680 6.411 1.647 1.00 75.52 C ATOM 25 O ARG A 3 -10.850 7.355 2.418 1.00 63.44 O ATOM 26 CB ARG A 3 -10.597 6.833 -0.825 1.00 53.43 C ATOM 27 CG ARG A 3 -10.282 8.331 -0.822 1.00 4.22 C ATOM 28 CD ARG A 3 -8.996 8.526 -1.625 1.00 75.45 C ATOM 29 NE ARG A 3 -8.633 9.939 -1.799 1.00 33.40 N ATOM 30 CZ ARG A 3 -8.139 10.473 -2.923 1.00 11.31 C ATOM 31 NH1 ARG A 3 -8.207 9.820 -4.082 1.00 42.53 N ATOM 32 NH2 ARG A 3 -7.568 11.669 -2.900 1.00 51.33 N ATOM 0 H ARG A 3 -12.714 7.767 1.164 1.00 52.32 H new ATOM 0 HA ARG A 3 -11.694 5.284 0.141 1.00 61.43 H new ATOM 0 HB2 ARG A 3 -9.656 6.283 -0.824 1.00 53.43 H new ATOM 0 HB3 ARG A 3 -11.107 6.590 -1.757 1.00 53.43 H new ATOM 0 HG2 ARG A 3 -11.101 8.897 -1.265 1.00 4.22 H new ATOM 0 HG3 ARG A 3 -10.158 8.696 0.198 1.00 4.22 H new ATOM 0 HD2 ARG A 3 -8.179 8.007 -1.123 1.00 75.45 H new ATOM 0 HD3 ARG A 3 -9.113 8.064 -2.605 1.00 75.45 H new ATOM 0 HE ARG A 3 -8.768 10.561 -1.002 1.00 33.40 H new ATOM 0 HH11 ARG A 3 -8.641 8.898 -4.123 1.00 42.53 H new ATOM 0 HH12 ARG A 3 -7.825 10.242 -4.928 1.00 42.53 H new ATOM 0 HH21 ARG A 3 -7.504 12.187 -2.023 1.00 51.33 H new ATOM 0 HH22 ARG A 3 -7.193 12.072 -3.759 1.00 51.33 H new ATOM 46 N PHE A 4 -9.766 5.473 1.804 1.00 34.51 N ATOM 47 CA PHE A 4 -8.836 5.259 2.892 1.00 73.13 C ATOM 48 C PHE A 4 -7.478 5.088 2.228 1.00 71.30 C ATOM 49 O PHE A 4 -7.393 4.726 1.044 1.00 13.54 O ATOM 50 CB PHE A 4 -9.204 3.986 3.661 1.00 4.00 C ATOM 51 CG PHE A 4 -10.558 3.992 4.352 1.00 70.33 C ATOM 52 CD1 PHE A 4 -10.696 4.599 5.612 1.00 21.00 C ATOM 53 CD2 PHE A 4 -11.676 3.364 3.767 1.00 44.01 C ATOM 54 CE1 PHE A 4 -11.946 4.614 6.258 1.00 62.53 C ATOM 55 CE2 PHE A 4 -12.922 3.373 4.410 1.00 23.54 C ATOM 56 CZ PHE A 4 -13.061 4.008 5.651 1.00 23.13 C ATOM 0 H PHE A 4 -9.645 4.759 1.085 1.00 34.51 H new ATOM 0 HA PHE A 4 -8.846 6.084 3.604 1.00 73.13 H new ATOM 0 HB2 PHE A 4 -9.176 3.146 2.967 1.00 4.00 H new ATOM 0 HB3 PHE A 4 -8.436 3.805 4.413 1.00 4.00 H new ATOM 0 HD1 PHE A 4 -9.840 5.056 6.086 1.00 21.00 H new ATOM 0 HD2 PHE A 4 -11.572 2.870 2.812 1.00 44.01 H new ATOM 0 HE1 PHE A 4 -12.050 5.091 7.221 1.00 62.53 H new ATOM 0 HE2 PHE A 4 -13.772 2.892 3.950 1.00 23.54 H new ATOM 0 HZ PHE A 4 -14.023 4.032 6.141 1.00 23.13 H new ATOM 66 N ILE A 5 -6.406 5.307 2.982 1.00 14.12 N ATOM 67 CA ILE A 5 -5.040 5.226 2.476 1.00 31.31 C ATOM 68 C ILE A 5 -4.207 4.351 3.408 1.00 5.11 C ATOM 69 O ILE A 5 -4.465 4.252 4.614 1.00 42.44 O ATOM 70 CB ILE A 5 -4.480 6.659 2.259 1.00 31.33 C ATOM 71 CG1 ILE A 5 -5.383 7.458 1.276 1.00 41.23 C ATOM 72 CG2 ILE A 5 -3.051 6.691 1.674 1.00 3.24 C ATOM 73 CD1 ILE A 5 -5.378 8.967 1.458 1.00 41.50 C ATOM 0 H ILE A 5 -6.461 5.548 3.972 1.00 14.12 H new ATOM 0 HA ILE A 5 -5.004 4.743 1.499 1.00 31.31 H new ATOM 0 HB ILE A 5 -4.462 7.102 3.255 1.00 31.33 H new ATOM 0 HG12 ILE A 5 -5.069 7.232 0.257 1.00 41.23 H new ATOM 0 HG13 ILE A 5 -6.408 7.101 1.380 1.00 41.23 H new ATOM 0 HG21 ILE A 5 -2.731 7.726 1.552 1.00 3.24 H new ATOM 0 HG22 ILE A 5 -2.369 6.178 2.352 1.00 3.24 H new ATOM 0 HG23 ILE A 5 -3.043 6.192 0.705 1.00 3.24 H new ATOM 0 HD11 ILE A 5 -6.040 9.424 0.723 1.00 41.50 H new ATOM 0 HD12 ILE A 5 -5.725 9.214 2.461 1.00 41.50 H new ATOM 0 HD13 ILE A 5 -4.366 9.347 1.321 1.00 41.50 H new ATOM 85 N VAL A 6 -3.225 3.682 2.821 1.00 71.23 N ATOM 86 CA VAL A 6 -2.297 2.791 3.480 1.00 21.34 C ATOM 87 C VAL A 6 -0.935 3.483 3.501 1.00 42.50 C ATOM 88 O VAL A 6 -0.486 4.003 2.470 1.00 62.43 O ATOM 89 CB VAL A 6 -2.257 1.449 2.717 1.00 13.54 C ATOM 90 CG1 VAL A 6 -1.410 0.420 3.463 1.00 52.45 C ATOM 91 CG2 VAL A 6 -3.650 0.838 2.507 1.00 23.01 C ATOM 0 H VAL A 6 -3.050 3.754 1.819 1.00 71.23 H new ATOM 0 HA VAL A 6 -2.598 2.572 4.504 1.00 21.34 H new ATOM 0 HB VAL A 6 -1.822 1.682 1.745 1.00 13.54 H new ATOM 0 HG11 VAL A 6 -1.399 -0.516 2.904 1.00 52.45 H new ATOM 0 HG12 VAL A 6 -0.391 0.793 3.566 1.00 52.45 H new ATOM 0 HG13 VAL A 6 -1.835 0.247 4.452 1.00 52.45 H new ATOM 0 HG21 VAL A 6 -3.557 -0.103 1.965 1.00 23.01 H new ATOM 0 HG22 VAL A 6 -4.117 0.655 3.475 1.00 23.01 H new ATOM 0 HG23 VAL A 6 -4.267 1.528 1.931 1.00 23.01 H new ATOM 101 N PHE A 7 -0.336 3.581 4.687 1.00 33.32 N ATOM 102 CA PHE A 7 0.975 4.161 4.912 1.00 4.55 C ATOM 103 C PHE A 7 1.937 2.985 4.804 1.00 53.35 C ATOM 104 O PHE A 7 1.719 1.987 5.487 1.00 45.53 O ATOM 105 CB PHE A 7 1.088 4.747 6.332 1.00 61.25 C ATOM 106 CG PHE A 7 2.469 5.290 6.635 1.00 44.32 C ATOM 107 CD1 PHE A 7 3.027 6.300 5.831 1.00 4.14 C ATOM 108 CD2 PHE A 7 3.240 4.728 7.666 1.00 52.21 C ATOM 109 CE1 PHE A 7 4.357 6.703 6.019 1.00 23.44 C ATOM 110 CE2 PHE A 7 4.564 5.134 7.866 1.00 43.34 C ATOM 111 CZ PHE A 7 5.127 6.111 7.033 1.00 13.15 C ATOM 0 H PHE A 7 -0.772 3.244 5.546 1.00 33.32 H new ATOM 0 HA PHE A 7 1.177 4.965 4.205 1.00 4.55 H new ATOM 0 HB2 PHE A 7 0.355 5.545 6.450 1.00 61.25 H new ATOM 0 HB3 PHE A 7 0.839 3.975 7.060 1.00 61.25 H new ATOM 0 HD1 PHE A 7 2.428 6.768 5.064 1.00 4.14 H new ATOM 0 HD2 PHE A 7 2.807 3.976 8.310 1.00 52.21 H new ATOM 0 HE1 PHE A 7 4.787 7.465 5.387 1.00 23.44 H new ATOM 0 HE2 PHE A 7 5.151 4.696 8.660 1.00 43.34 H new ATOM 0 HZ PHE A 7 6.156 6.409 7.172 1.00 13.15 H new ATOM 121 N VAL A 8 2.989 3.068 3.996 1.00 44.34 N ATOM 122 CA VAL A 8 3.952 1.984 3.845 1.00 22.22 C ATOM 123 C VAL A 8 5.334 2.620 3.925 1.00 10.13 C ATOM 124 O VAL A 8 5.552 3.608 3.229 1.00 1.00 O ATOM 125 CB VAL A 8 3.726 1.239 2.512 1.00 75.34 C ATOM 126 CG1 VAL A 8 4.540 -0.062 2.435 1.00 60.13 C ATOM 127 CG2 VAL A 8 2.254 0.893 2.244 1.00 61.15 C ATOM 0 H VAL A 8 3.198 3.889 3.428 1.00 44.34 H new ATOM 0 HA VAL A 8 3.841 1.233 4.628 1.00 22.22 H new ATOM 0 HB VAL A 8 4.063 1.942 1.750 1.00 75.34 H new ATOM 0 HG11 VAL A 8 4.351 -0.554 1.481 1.00 60.13 H new ATOM 0 HG12 VAL A 8 5.602 0.168 2.521 1.00 60.13 H new ATOM 0 HG13 VAL A 8 4.245 -0.724 3.249 1.00 60.13 H new ATOM 0 HG21 VAL A 8 2.171 0.371 1.291 1.00 61.15 H new ATOM 0 HG22 VAL A 8 1.880 0.252 3.042 1.00 61.15 H new ATOM 0 HG23 VAL A 8 1.665 1.810 2.208 1.00 61.15 H new ATOM 137 N GLY A 9 6.261 2.121 4.753 1.00 4.21 N ATOM 138 CA GLY A 9 7.606 2.699 4.865 1.00 23.31 C ATOM 139 C GLY A 9 8.701 1.646 4.983 1.00 23.41 C ATOM 140 O GLY A 9 8.433 0.448 4.872 1.00 32.01 O ATOM 0 H GLY A 9 6.103 1.315 5.357 1.00 4.21 H new ATOM 0 HA2 GLY A 9 7.801 3.321 3.992 1.00 23.31 H new ATOM 0 HA3 GLY A 9 7.643 3.352 5.737 1.00 23.31 H new ATOM 144 N SER A 10 9.945 2.102 5.178 1.00 34.24 N ATOM 145 CA SER A 10 11.169 1.310 5.298 1.00 74.24 C ATOM 146 C SER A 10 11.594 0.713 3.938 1.00 3.23 C ATOM 147 O SER A 10 12.442 -0.181 3.892 1.00 43.03 O ATOM 148 CB SER A 10 11.000 0.241 6.393 1.00 14.00 C ATOM 149 OG SER A 10 11.725 0.561 7.572 1.00 12.45 O ATOM 0 H SER A 10 10.132 3.101 5.261 1.00 34.24 H new ATOM 0 HA SER A 10 11.985 1.965 5.603 1.00 74.24 H new ATOM 0 HB2 SER A 10 9.943 0.136 6.636 1.00 14.00 H new ATOM 0 HB3 SER A 10 11.337 -0.723 6.012 1.00 14.00 H new ATOM 0 HG SER A 10 11.589 -0.142 8.241 1.00 12.45 H new ATOM 155 N LEU A 11 11.025 1.200 2.831 1.00 14.43 N ATOM 156 CA LEU A 11 11.297 0.741 1.473 1.00 10.05 C ATOM 157 C LEU A 11 12.769 0.941 1.072 1.00 4.24 C ATOM 158 O LEU A 11 13.410 1.897 1.533 1.00 53.44 O ATOM 159 CB LEU A 11 10.408 1.504 0.462 1.00 21.42 C ATOM 160 CG LEU A 11 8.957 1.001 0.343 1.00 72.42 C ATOM 161 CD1 LEU A 11 8.196 1.045 1.672 1.00 32.43 C ATOM 162 CD2 LEU A 11 8.173 1.880 -0.626 1.00 72.04 C ATOM 0 H LEU A 11 10.337 1.953 2.862 1.00 14.43 H new ATOM 0 HA LEU A 11 11.074 -0.326 1.454 1.00 10.05 H new ATOM 0 HB2 LEU A 11 10.387 2.556 0.745 1.00 21.42 H new ATOM 0 HB3 LEU A 11 10.875 1.448 -0.521 1.00 21.42 H new ATOM 0 HG LEU A 11 9.033 -0.031 0.000 1.00 72.42 H new ATOM 0 HD11 LEU A 11 7.181 0.678 1.522 1.00 32.43 H new ATOM 0 HD12 LEU A 11 8.704 0.417 2.403 1.00 32.43 H new ATOM 0 HD13 LEU A 11 8.161 2.071 2.037 1.00 32.43 H new ATOM 0 HD21 LEU A 11 7.149 1.514 -0.702 1.00 72.04 H new ATOM 0 HD22 LEU A 11 8.166 2.907 -0.261 1.00 72.04 H new ATOM 0 HD23 LEU A 11 8.643 1.848 -1.609 1.00 72.04 H new ATOM 174 N PRO A 12 13.302 0.066 0.195 1.00 55.10 N ATOM 175 CA PRO A 12 14.664 0.166 -0.304 1.00 3.20 C ATOM 176 C PRO A 12 14.799 1.384 -1.217 1.00 61.34 C ATOM 177 O PRO A 12 13.820 1.936 -1.713 1.00 33.55 O ATOM 178 CB PRO A 12 14.936 -1.099 -1.134 1.00 31.14 C ATOM 179 CG PRO A 12 13.578 -1.767 -1.338 1.00 25.14 C ATOM 180 CD PRO A 12 12.617 -1.085 -0.370 1.00 72.45 C ATOM 0 HA PRO A 12 15.365 0.265 0.525 1.00 3.20 H new ATOM 0 HB2 PRO A 12 15.395 -0.847 -2.090 1.00 31.14 H new ATOM 0 HB3 PRO A 12 15.625 -1.766 -0.615 1.00 31.14 H new ATOM 0 HG2 PRO A 12 13.239 -1.653 -2.368 1.00 25.14 H new ATOM 0 HG3 PRO A 12 13.637 -2.837 -1.139 1.00 25.14 H new ATOM 0 HD2 PRO A 12 11.710 -0.774 -0.887 1.00 72.45 H new ATOM 0 HD3 PRO A 12 12.314 -1.775 0.418 1.00 72.45 H new ATOM 188 N ARG A 13 16.040 1.767 -1.492 1.00 53.41 N ATOM 189 CA ARG A 13 16.379 2.885 -2.366 1.00 11.23 C ATOM 190 C ARG A 13 16.187 2.469 -3.824 1.00 45.40 C ATOM 191 O ARG A 13 15.843 3.294 -4.663 1.00 25.24 O ATOM 192 CB ARG A 13 17.849 3.258 -2.114 1.00 75.21 C ATOM 193 CG ARG A 13 18.109 3.782 -0.696 1.00 33.23 C ATOM 194 CD ARG A 13 17.705 5.251 -0.531 1.00 44.13 C ATOM 195 NE ARG A 13 18.909 6.070 -0.338 1.00 11.44 N ATOM 196 CZ ARG A 13 19.235 6.760 0.756 1.00 2.13 C ATOM 197 NH1 ARG A 13 18.326 7.032 1.684 1.00 15.41 N ATOM 198 NH2 ARG A 13 20.492 7.142 0.922 1.00 72.30 N ATOM 0 H ARG A 13 16.859 1.298 -1.104 1.00 53.41 H new ATOM 0 HA ARG A 13 15.736 3.741 -2.161 1.00 11.23 H new ATOM 0 HB2 ARG A 13 18.474 2.382 -2.290 1.00 75.21 H new ATOM 0 HB3 ARG A 13 18.153 4.017 -2.835 1.00 75.21 H new ATOM 0 HG2 ARG A 13 17.556 3.174 0.020 1.00 33.23 H new ATOM 0 HG3 ARG A 13 19.167 3.670 -0.459 1.00 33.23 H new ATOM 0 HD2 ARG A 13 17.158 5.590 -1.411 1.00 44.13 H new ATOM 0 HD3 ARG A 13 17.036 5.362 0.322 1.00 44.13 H new ATOM 0 HE ARG A 13 19.562 6.116 -1.120 1.00 11.44 H new ATOM 0 HH11 ARG A 13 17.365 6.712 1.565 1.00 15.41 H new ATOM 0 HH12 ARG A 13 18.589 7.561 2.516 1.00 15.41 H new ATOM 0 HH21 ARG A 13 21.193 6.908 0.219 1.00 72.30 H new ATOM 0 HH22 ARG A 13 20.759 7.670 1.753 1.00 72.30 H new ATOM 212 N ASP A 14 16.407 1.184 -4.118 1.00 22.24 N ATOM 213 CA ASP A 14 16.289 0.588 -5.452 1.00 11.34 C ATOM 214 C ASP A 14 14.859 0.153 -5.803 1.00 75.41 C ATOM 215 O ASP A 14 14.645 -0.626 -6.732 1.00 63.24 O ATOM 216 CB ASP A 14 17.255 -0.580 -5.562 1.00 2.50 C ATOM 217 CG ASP A 14 17.620 -0.894 -7.010 1.00 24.31 C ATOM 218 OD1 ASP A 14 18.132 0.026 -7.695 1.00 24.05 O ATOM 219 OD2 ASP A 14 17.456 -2.062 -7.432 1.00 1.21 O ATOM 0 H ASP A 14 16.682 0.506 -3.408 1.00 22.24 H new ATOM 0 HA ASP A 14 16.546 1.358 -6.179 1.00 11.34 H new ATOM 0 HB2 ASP A 14 18.162 -0.353 -5.002 1.00 2.50 H new ATOM 0 HB3 ASP A 14 16.809 -1.462 -5.102 1.00 2.50 H new ATOM 224 N ILE A 15 13.877 0.552 -4.994 1.00 44.14 N ATOM 225 CA ILE A 15 12.472 0.224 -5.180 1.00 5.22 C ATOM 226 C ILE A 15 11.955 0.695 -6.549 1.00 40.05 C ATOM 227 O ILE A 15 12.267 1.810 -6.968 1.00 13.22 O ATOM 228 CB ILE A 15 11.690 0.808 -3.988 1.00 62.13 C ATOM 229 CG1 ILE A 15 10.224 0.355 -3.986 1.00 13.10 C ATOM 230 CG2 ILE A 15 11.746 2.341 -3.947 1.00 42.11 C ATOM 231 CD1 ILE A 15 10.047 -1.109 -3.616 1.00 71.30 C ATOM 0 H ILE A 15 14.047 1.128 -4.170 1.00 44.14 H new ATOM 0 HA ILE A 15 12.327 -0.856 -5.193 1.00 5.22 H new ATOM 0 HB ILE A 15 12.182 0.420 -3.096 1.00 62.13 H new ATOM 0 HG12 ILE A 15 9.662 0.971 -3.284 1.00 13.10 H new ATOM 0 HG13 ILE A 15 9.796 0.527 -4.974 1.00 13.10 H new ATOM 0 HG21 ILE A 15 11.180 2.703 -3.089 1.00 42.11 H new ATOM 0 HG22 ILE A 15 12.783 2.665 -3.860 1.00 42.11 H new ATOM 0 HG23 ILE A 15 11.315 2.745 -4.863 1.00 42.11 H new ATOM 0 HD11 ILE A 15 8.987 -1.363 -3.634 1.00 71.30 H new ATOM 0 HD12 ILE A 15 10.582 -1.733 -4.332 1.00 71.30 H new ATOM 0 HD13 ILE A 15 10.445 -1.282 -2.616 1.00 71.30 H new ATOM 243 N THR A 16 11.138 -0.121 -7.222 1.00 53.33 N ATOM 244 CA THR A 16 10.552 0.194 -8.522 1.00 54.14 C ATOM 245 C THR A 16 9.039 -0.017 -8.471 1.00 65.11 C ATOM 246 O THR A 16 8.530 -0.815 -7.677 1.00 23.11 O ATOM 247 CB THR A 16 11.290 -0.553 -9.653 1.00 21.23 C ATOM 248 OG1 THR A 16 11.591 -1.876 -9.270 1.00 31.31 O ATOM 249 CG2 THR A 16 12.616 0.133 -10.001 1.00 74.30 C ATOM 0 H THR A 16 10.862 -1.037 -6.868 1.00 53.33 H new ATOM 0 HA THR A 16 10.691 1.248 -8.762 1.00 54.14 H new ATOM 0 HB THR A 16 10.624 -0.545 -10.516 1.00 21.23 H new ATOM 0 HG1 THR A 16 12.057 -2.331 -10.003 1.00 31.31 H new ATOM 0 HG21 THR A 16 13.111 -0.417 -10.801 1.00 74.30 H new ATOM 0 HG22 THR A 16 12.422 1.154 -10.329 1.00 74.30 H new ATOM 0 HG23 THR A 16 13.259 0.151 -9.121 1.00 74.30 H new ATOM 257 N ALA A 17 8.325 0.715 -9.328 1.00 71.34 N ATOM 258 CA ALA A 17 6.880 0.703 -9.478 1.00 35.51 C ATOM 259 C ALA A 17 6.365 -0.698 -9.775 1.00 10.33 C ATOM 260 O ALA A 17 5.268 -1.045 -9.341 1.00 23.21 O ATOM 261 CB ALA A 17 6.498 1.623 -10.640 1.00 51.22 C ATOM 0 H ALA A 17 8.772 1.368 -9.971 1.00 71.34 H new ATOM 0 HA ALA A 17 6.434 1.045 -8.544 1.00 35.51 H new ATOM 0 HB1 ALA A 17 5.415 1.623 -10.763 1.00 51.22 H new ATOM 0 HB2 ALA A 17 6.839 2.637 -10.429 1.00 51.22 H new ATOM 0 HB3 ALA A 17 6.967 1.266 -11.557 1.00 51.22 H new ATOM 267 N VAL A 18 7.152 -1.495 -10.498 1.00 43.55 N ATOM 268 CA VAL A 18 6.760 -2.851 -10.849 1.00 13.23 C ATOM 269 C VAL A 18 6.676 -3.715 -9.593 1.00 54.03 C ATOM 270 O VAL A 18 5.774 -4.549 -9.498 1.00 14.51 O ATOM 271 CB VAL A 18 7.693 -3.431 -11.939 1.00 42.22 C ATOM 272 CG1 VAL A 18 9.184 -3.408 -11.565 1.00 53.41 C ATOM 273 CG2 VAL A 18 7.303 -4.870 -12.317 1.00 10.42 C ATOM 0 H VAL A 18 8.068 -1.219 -10.851 1.00 43.55 H new ATOM 0 HA VAL A 18 5.762 -2.841 -11.288 1.00 13.23 H new ATOM 0 HB VAL A 18 7.555 -2.767 -12.793 1.00 42.22 H new ATOM 0 HG11 VAL A 18 9.770 -3.831 -12.381 1.00 53.41 H new ATOM 0 HG12 VAL A 18 9.499 -2.380 -11.387 1.00 53.41 H new ATOM 0 HG13 VAL A 18 9.342 -3.997 -10.661 1.00 53.41 H new ATOM 0 HG21 VAL A 18 7.982 -5.241 -13.085 1.00 10.42 H new ATOM 0 HG22 VAL A 18 7.368 -5.508 -11.436 1.00 10.42 H new ATOM 0 HG23 VAL A 18 6.282 -4.882 -12.699 1.00 10.42 H new ATOM 283 N GLU A 19 7.585 -3.515 -8.637 1.00 22.12 N ATOM 284 CA GLU A 19 7.630 -4.279 -7.396 1.00 3.02 C ATOM 285 C GLU A 19 6.424 -3.885 -6.543 1.00 41.42 C ATOM 286 O GLU A 19 5.741 -4.736 -5.976 1.00 25.13 O ATOM 287 CB GLU A 19 8.951 -3.984 -6.658 1.00 73.24 C ATOM 288 CG GLU A 19 10.215 -4.102 -7.527 1.00 61.13 C ATOM 289 CD GLU A 19 10.732 -5.520 -7.766 1.00 65.11 C ATOM 290 OE1 GLU A 19 9.989 -6.379 -8.287 1.00 35.13 O ATOM 291 OE2 GLU A 19 11.937 -5.753 -7.498 1.00 42.31 O ATOM 0 H GLU A 19 8.318 -2.809 -8.707 1.00 22.12 H new ATOM 0 HA GLU A 19 7.589 -5.349 -7.600 1.00 3.02 H new ATOM 0 HB2 GLU A 19 8.903 -2.976 -6.246 1.00 73.24 H new ATOM 0 HB3 GLU A 19 9.041 -4.669 -5.815 1.00 73.24 H new ATOM 0 HG2 GLU A 19 10.011 -3.643 -8.494 1.00 61.13 H new ATOM 0 HG3 GLU A 19 11.009 -3.521 -7.059 1.00 61.13 H new ATOM 298 N LEU A 20 6.154 -2.578 -6.488 1.00 51.30 N ATOM 299 CA LEU A 20 5.054 -1.977 -5.747 1.00 43.13 C ATOM 300 C LEU A 20 3.726 -2.511 -6.260 1.00 32.20 C ATOM 301 O LEU A 20 2.935 -3.051 -5.485 1.00 73.33 O ATOM 302 CB LEU A 20 5.136 -0.444 -5.891 1.00 34.25 C ATOM 303 CG LEU A 20 5.357 0.293 -4.566 1.00 35.41 C ATOM 304 CD1 LEU A 20 6.641 -0.128 -3.857 1.00 62.35 C ATOM 305 CD2 LEU A 20 5.516 1.778 -4.874 1.00 63.52 C ATOM 0 H LEU A 20 6.721 -1.887 -6.979 1.00 51.30 H new ATOM 0 HA LEU A 20 5.127 -2.236 -4.691 1.00 43.13 H new ATOM 0 HB2 LEU A 20 5.949 -0.196 -6.573 1.00 34.25 H new ATOM 0 HB3 LEU A 20 4.215 -0.082 -6.348 1.00 34.25 H new ATOM 0 HG LEU A 20 4.505 0.062 -3.926 1.00 35.41 H new ATOM 0 HD11 LEU A 20 6.741 0.429 -2.925 1.00 62.35 H new ATOM 0 HD12 LEU A 20 6.603 -1.195 -3.640 1.00 62.35 H new ATOM 0 HD13 LEU A 20 7.497 0.082 -4.499 1.00 62.35 H new ATOM 0 HD21 LEU A 20 5.675 2.327 -3.946 1.00 63.52 H new ATOM 0 HD22 LEU A 20 6.372 1.923 -5.533 1.00 63.52 H new ATOM 0 HD23 LEU A 20 4.615 2.147 -5.364 1.00 63.52 H new ATOM 317 N GLN A 21 3.491 -2.369 -7.567 1.00 35.33 N ATOM 318 CA GLN A 21 2.272 -2.834 -8.199 1.00 51.44 C ATOM 319 C GLN A 21 2.120 -4.326 -7.946 1.00 40.21 C ATOM 320 O GLN A 21 1.036 -4.752 -7.561 1.00 62.41 O ATOM 321 CB GLN A 21 2.301 -2.550 -9.713 1.00 61.43 C ATOM 322 CG GLN A 21 1.947 -1.104 -10.087 1.00 4.43 C ATOM 323 CD GLN A 21 0.432 -0.850 -10.070 1.00 74.02 C ATOM 324 OE1 GLN A 21 -0.275 -1.282 -9.164 1.00 50.53 O ATOM 325 NE2 GLN A 21 -0.099 -0.119 -11.039 1.00 71.12 N ATOM 0 H GLN A 21 4.147 -1.926 -8.210 1.00 35.33 H new ATOM 0 HA GLN A 21 1.422 -2.301 -7.773 1.00 51.44 H new ATOM 0 HB2 GLN A 21 3.295 -2.780 -10.096 1.00 61.43 H new ATOM 0 HB3 GLN A 21 1.604 -3.224 -10.211 1.00 61.43 H new ATOM 0 HG2 GLN A 21 2.435 -0.422 -9.391 1.00 4.43 H new ATOM 0 HG3 GLN A 21 2.339 -0.882 -11.079 1.00 4.43 H new ATOM 0 HE21 GLN A 21 0.491 0.238 -11.790 1.00 71.12 H new ATOM 0 HE22 GLN A 21 -1.098 0.086 -11.034 1.00 71.12 H new ATOM 334 N ASN A 22 3.199 -5.096 -8.112 1.00 40.44 N ATOM 335 CA ASN A 22 3.192 -6.538 -7.925 1.00 45.44 C ATOM 336 C ASN A 22 2.802 -6.949 -6.508 1.00 31.01 C ATOM 337 O ASN A 22 1.994 -7.862 -6.348 1.00 65.11 O ATOM 338 CB ASN A 22 4.554 -7.123 -8.309 1.00 15.33 C ATOM 339 CG ASN A 22 4.600 -8.605 -7.999 1.00 42.04 C ATOM 340 OD1 ASN A 22 3.878 -9.395 -8.603 1.00 13.01 O ATOM 341 ND2 ASN A 22 5.455 -9.019 -7.089 1.00 4.32 N ATOM 0 H ASN A 22 4.110 -4.725 -8.383 1.00 40.44 H new ATOM 0 HA ASN A 22 2.426 -6.946 -8.584 1.00 45.44 H new ATOM 0 HB2 ASN A 22 4.740 -6.961 -9.371 1.00 15.33 H new ATOM 0 HB3 ASN A 22 5.345 -6.607 -7.765 1.00 15.33 H new ATOM 0 HD21 ASN A 22 5.528 -10.013 -6.873 1.00 4.32 H new ATOM 0 HD22 ASN A 22 6.045 -8.346 -6.600 1.00 4.32 H new ATOM 348 N HIS A 23 3.326 -6.298 -5.470 1.00 34.14 N ATOM 349 CA HIS A 23 2.987 -6.654 -4.095 1.00 51.42 C ATOM 350 C HIS A 23 1.510 -6.380 -3.811 1.00 74.41 C ATOM 351 O HIS A 23 0.807 -7.250 -3.297 1.00 61.45 O ATOM 352 CB HIS A 23 3.891 -5.903 -3.106 1.00 33.35 C ATOM 353 CG HIS A 23 4.764 -6.814 -2.286 1.00 34.34 C ATOM 354 ND1 HIS A 23 5.853 -7.531 -2.775 1.00 54.34 N ATOM 355 CD2 HIS A 23 4.648 -7.036 -0.946 1.00 51.03 C ATOM 356 CE1 HIS A 23 6.397 -8.133 -1.705 1.00 61.24 C ATOM 357 NE2 HIS A 23 5.675 -7.883 -0.597 1.00 65.44 N ATOM 0 H HIS A 23 3.985 -5.524 -5.556 1.00 34.14 H new ATOM 0 HA HIS A 23 3.157 -7.723 -3.964 1.00 51.42 H new ATOM 0 HB2 HIS A 23 4.522 -5.207 -3.658 1.00 33.35 H new ATOM 0 HB3 HIS A 23 3.270 -5.308 -2.437 1.00 33.35 H new ATOM 0 HD2 HIS A 23 3.897 -6.627 -0.287 1.00 51.03 H new ATOM 0 HE1 HIS A 23 7.293 -8.736 -1.730 1.00 61.24 H new ATOM 0 HE2 HIS A 23 5.857 -8.255 0.335 1.00 65.44 H new ATOM 365 N PHE A 24 1.004 -5.199 -4.171 1.00 24.33 N ATOM 366 CA PHE A 24 -0.388 -4.815 -3.929 1.00 42.10 C ATOM 367 C PHE A 24 -1.398 -5.317 -4.968 1.00 64.32 C ATOM 368 O PHE A 24 -2.599 -5.102 -4.779 1.00 1.35 O ATOM 369 CB PHE A 24 -0.441 -3.304 -3.693 1.00 13.52 C ATOM 370 CG PHE A 24 0.291 -2.909 -2.421 1.00 64.21 C ATOM 371 CD1 PHE A 24 -0.283 -3.182 -1.164 1.00 24.45 C ATOM 372 CD2 PHE A 24 1.559 -2.304 -2.488 1.00 64.00 C ATOM 373 CE1 PHE A 24 0.401 -2.833 0.016 1.00 2.30 C ATOM 374 CE2 PHE A 24 2.232 -1.928 -1.312 1.00 53.44 C ATOM 375 CZ PHE A 24 1.652 -2.194 -0.058 1.00 74.53 C ATOM 0 H PHE A 24 1.551 -4.478 -4.641 1.00 24.33 H new ATOM 0 HA PHE A 24 -0.724 -5.334 -3.031 1.00 42.10 H new ATOM 0 HB2 PHE A 24 0.002 -2.787 -4.544 1.00 13.52 H new ATOM 0 HB3 PHE A 24 -1.480 -2.981 -3.630 1.00 13.52 H new ATOM 0 HD1 PHE A 24 -1.250 -3.660 -1.105 1.00 24.45 H new ATOM 0 HD2 PHE A 24 2.019 -2.127 -3.449 1.00 64.00 H new ATOM 0 HE1 PHE A 24 -0.035 -3.056 0.979 1.00 2.30 H new ATOM 0 HE2 PHE A 24 3.192 -1.436 -1.371 1.00 53.44 H new ATOM 0 HZ PHE A 24 2.167 -1.908 0.847 1.00 74.53 H new ATOM 385 N LYS A 25 -0.975 -6.068 -5.990 1.00 45.43 N ATOM 386 CA LYS A 25 -1.825 -6.600 -7.054 1.00 13.02 C ATOM 387 C LYS A 25 -3.049 -7.344 -6.535 1.00 32.03 C ATOM 388 O LYS A 25 -4.155 -7.125 -7.027 1.00 43.31 O ATOM 389 CB LYS A 25 -0.955 -7.403 -8.030 1.00 71.43 C ATOM 390 CG LYS A 25 -0.767 -8.901 -7.757 1.00 44.53 C ATOM 391 CD LYS A 25 0.317 -9.488 -8.675 1.00 13.40 C ATOM 392 CE LYS A 25 0.630 -10.932 -8.274 1.00 1.22 C ATOM 393 NZ LYS A 25 1.952 -11.369 -8.759 1.00 32.22 N ATOM 0 H LYS A 25 0.004 -6.330 -6.101 1.00 45.43 H new ATOM 0 HA LYS A 25 -2.266 -5.771 -7.607 1.00 13.02 H new ATOM 0 HB2 LYS A 25 -1.384 -7.296 -9.026 1.00 71.43 H new ATOM 0 HB3 LYS A 25 0.032 -6.941 -8.056 1.00 71.43 H new ATOM 0 HG2 LYS A 25 -0.489 -9.054 -6.714 1.00 44.53 H new ATOM 0 HG3 LYS A 25 -1.709 -9.426 -7.916 1.00 44.53 H new ATOM 0 HD2 LYS A 25 -0.019 -9.456 -9.712 1.00 13.40 H new ATOM 0 HD3 LYS A 25 1.221 -8.883 -8.614 1.00 13.40 H new ATOM 0 HE2 LYS A 25 0.595 -11.022 -7.188 1.00 1.22 H new ATOM 0 HE3 LYS A 25 -0.139 -11.593 -8.674 1.00 1.22 H new ATOM 0 HZ1 LYS A 25 2.331 -12.099 -8.123 1.00 32.22 H new ATOM 0 HZ2 LYS A 25 1.858 -11.761 -9.718 1.00 32.22 H new ATOM 0 HZ3 LYS A 25 2.600 -10.556 -8.779 1.00 32.22 H new ATOM 407 N ASN A 26 -2.882 -8.152 -5.484 1.00 52.01 N ATOM 408 CA ASN A 26 -3.963 -8.919 -4.865 1.00 33.13 C ATOM 409 C ASN A 26 -5.014 -7.979 -4.254 1.00 22.12 C ATOM 410 O ASN A 26 -6.199 -8.314 -4.226 1.00 11.12 O ATOM 411 CB ASN A 26 -3.336 -9.825 -3.782 1.00 75.32 C ATOM 412 CG ASN A 26 -4.251 -10.776 -3.001 1.00 11.12 C ATOM 413 OD1 ASN A 26 -3.769 -11.488 -2.126 1.00 33.13 O ATOM 414 ND2 ASN A 26 -5.549 -10.837 -3.225 1.00 30.10 N ATOM 0 H ASN A 26 -1.978 -8.293 -5.034 1.00 52.01 H new ATOM 0 HA ASN A 26 -4.473 -9.527 -5.612 1.00 33.13 H new ATOM 0 HB2 ASN A 26 -2.564 -10.427 -4.261 1.00 75.32 H new ATOM 0 HB3 ASN A 26 -2.835 -9.180 -3.060 1.00 75.32 H new ATOM 0 HD21 ASN A 26 -6.132 -11.468 -2.675 1.00 30.10 H new ATOM 0 HD22 ASN A 26 -5.970 -10.253 -3.948 1.00 30.10 H new ATOM 421 N SER A 27 -4.603 -6.812 -3.750 1.00 60.04 N ATOM 422 CA SER A 27 -5.501 -5.838 -3.121 1.00 64.43 C ATOM 423 C SER A 27 -6.152 -4.848 -4.107 1.00 23.42 C ATOM 424 O SER A 27 -7.285 -4.419 -3.873 1.00 4.30 O ATOM 425 CB SER A 27 -4.753 -5.146 -1.972 1.00 0.41 C ATOM 426 OG SER A 27 -3.608 -4.419 -2.384 1.00 11.42 O ATOM 0 H SER A 27 -3.628 -6.513 -3.767 1.00 60.04 H new ATOM 0 HA SER A 27 -6.356 -6.379 -2.716 1.00 64.43 H new ATOM 0 HB2 SER A 27 -5.438 -4.468 -1.463 1.00 0.41 H new ATOM 0 HB3 SER A 27 -4.450 -5.899 -1.244 1.00 0.41 H new ATOM 0 HG SER A 27 -3.485 -4.522 -3.351 1.00 11.42 H new ATOM 432 N SER A 28 -5.476 -4.547 -5.222 1.00 65.14 N ATOM 433 CA SER A 28 -5.904 -3.632 -6.279 1.00 14.54 C ATOM 434 C SER A 28 -6.061 -2.177 -5.771 1.00 33.44 C ATOM 435 O SER A 28 -7.184 -1.709 -5.555 1.00 34.44 O ATOM 436 CB SER A 28 -7.153 -4.191 -6.975 1.00 34.41 C ATOM 437 OG SER A 28 -7.413 -3.581 -8.220 1.00 53.41 O ATOM 0 H SER A 28 -4.565 -4.960 -5.419 1.00 65.14 H new ATOM 0 HA SER A 28 -5.119 -3.568 -7.033 1.00 14.54 H new ATOM 0 HB2 SER A 28 -7.030 -5.264 -7.122 1.00 34.41 H new ATOM 0 HB3 SER A 28 -8.016 -4.055 -6.323 1.00 34.41 H new ATOM 0 HG SER A 28 -8.217 -3.977 -8.617 1.00 53.41 H new ATOM 443 N PRO A 29 -4.951 -1.446 -5.543 1.00 12.54 N ATOM 444 CA PRO A 29 -4.968 -0.049 -5.093 1.00 1.04 C ATOM 445 C PRO A 29 -5.535 0.865 -6.184 1.00 50.32 C ATOM 446 O PRO A 29 -5.603 0.503 -7.360 1.00 32.22 O ATOM 447 CB PRO A 29 -3.512 0.295 -4.770 1.00 33.15 C ATOM 448 CG PRO A 29 -2.726 -0.632 -5.694 1.00 63.02 C ATOM 449 CD PRO A 29 -3.581 -1.892 -5.749 1.00 14.32 C ATOM 0 HA PRO A 29 -5.608 0.092 -4.222 1.00 1.04 H new ATOM 0 HB2 PRO A 29 -3.292 1.344 -4.968 1.00 33.15 H new ATOM 0 HB3 PRO A 29 -3.278 0.113 -3.721 1.00 33.15 H new ATOM 0 HG2 PRO A 29 -2.593 -0.194 -6.683 1.00 63.02 H new ATOM 0 HG3 PRO A 29 -1.731 -0.840 -5.301 1.00 63.02 H new ATOM 0 HD2 PRO A 29 -3.474 -2.397 -6.709 1.00 14.32 H new ATOM 0 HD3 PRO A 29 -3.281 -2.603 -4.980 1.00 14.32 H new ATOM 457 N ASP A 30 -5.989 2.052 -5.799 1.00 71.34 N ATOM 458 CA ASP A 30 -6.559 3.073 -6.671 1.00 51.41 C ATOM 459 C ASP A 30 -5.419 3.899 -7.233 1.00 72.14 C ATOM 460 O ASP A 30 -5.336 4.136 -8.440 1.00 65.02 O ATOM 461 CB ASP A 30 -7.474 4.019 -5.873 1.00 24.14 C ATOM 462 CG ASP A 30 -8.014 5.164 -6.733 1.00 2.43 C ATOM 463 OD1 ASP A 30 -8.234 4.974 -7.944 1.00 20.53 O ATOM 464 OD2 ASP A 30 -8.206 6.283 -6.198 1.00 34.12 O ATOM 0 H ASP A 30 -5.969 2.343 -4.822 1.00 71.34 H new ATOM 0 HA ASP A 30 -7.137 2.588 -7.457 1.00 51.41 H new ATOM 0 HB2 ASP A 30 -8.309 3.452 -5.461 1.00 24.14 H new ATOM 0 HB3 ASP A 30 -6.920 4.431 -5.029 1.00 24.14 H new ATOM 469 N GLN A 31 -4.501 4.298 -6.354 1.00 52.42 N ATOM 470 CA GLN A 31 -3.364 5.118 -6.720 1.00 51.30 C ATOM 471 C GLN A 31 -2.140 4.677 -5.928 1.00 73.04 C ATOM 472 O GLN A 31 -2.278 4.074 -4.864 1.00 15.45 O ATOM 473 CB GLN A 31 -3.779 6.582 -6.501 1.00 12.20 C ATOM 474 CG GLN A 31 -2.856 7.642 -7.116 1.00 53.15 C ATOM 475 CD GLN A 31 -1.991 8.384 -6.102 1.00 72.33 C ATOM 476 OE1 GLN A 31 -0.765 8.378 -6.196 1.00 72.45 O ATOM 477 NE2 GLN A 31 -2.592 9.072 -5.152 1.00 53.15 N ATOM 0 H GLN A 31 -4.532 4.056 -5.364 1.00 52.42 H new ATOM 0 HA GLN A 31 -3.077 5.007 -7.766 1.00 51.30 H new ATOM 0 HB2 GLN A 31 -4.780 6.720 -6.909 1.00 12.20 H new ATOM 0 HB3 GLN A 31 -3.844 6.764 -5.428 1.00 12.20 H new ATOM 0 HG2 GLN A 31 -2.207 7.161 -7.848 1.00 53.15 H new ATOM 0 HG3 GLN A 31 -3.464 8.367 -7.657 1.00 53.15 H new ATOM 0 HE21 GLN A 31 -3.610 9.068 -5.086 1.00 53.15 H new ATOM 0 HE22 GLN A 31 -2.039 9.608 -4.483 1.00 53.15 H new ATOM 486 N ILE A 32 -0.948 4.977 -6.448 1.00 54.21 N ATOM 487 CA ILE A 32 0.335 4.614 -5.862 1.00 2.40 C ATOM 488 C ILE A 32 1.287 5.805 -5.979 1.00 14.32 C ATOM 489 O ILE A 32 1.469 6.348 -7.075 1.00 52.13 O ATOM 490 CB ILE A 32 0.870 3.374 -6.631 1.00 65.12 C ATOM 491 CG1 ILE A 32 0.000 2.134 -6.320 1.00 33.24 C ATOM 492 CG2 ILE A 32 2.341 3.031 -6.338 1.00 24.11 C ATOM 493 CD1 ILE A 32 0.466 0.854 -7.017 1.00 13.33 C ATOM 0 H ILE A 32 -0.851 5.498 -7.320 1.00 54.21 H new ATOM 0 HA ILE A 32 0.242 4.364 -4.805 1.00 2.40 H new ATOM 0 HB ILE A 32 0.811 3.644 -7.685 1.00 65.12 H new ATOM 0 HG12 ILE A 32 -0.005 1.967 -5.243 1.00 33.24 H new ATOM 0 HG13 ILE A 32 -1.029 2.342 -6.615 1.00 33.24 H new ATOM 0 HG21 ILE A 32 2.632 2.154 -6.916 1.00 24.11 H new ATOM 0 HG22 ILE A 32 2.973 3.874 -6.616 1.00 24.11 H new ATOM 0 HG23 ILE A 32 2.461 2.822 -5.275 1.00 24.11 H new ATOM 0 HD11 ILE A 32 -0.196 0.031 -6.747 1.00 13.33 H new ATOM 0 HD12 ILE A 32 0.443 0.999 -8.097 1.00 13.33 H new ATOM 0 HD13 ILE A 32 1.483 0.619 -6.704 1.00 13.33 H new ATOM 505 N ARG A 33 1.914 6.211 -4.873 1.00 72.05 N ATOM 506 CA ARG A 33 2.871 7.303 -4.828 1.00 33.34 C ATOM 507 C ARG A 33 4.077 6.819 -4.025 1.00 12.43 C ATOM 508 O ARG A 33 4.025 6.794 -2.795 1.00 72.41 O ATOM 509 CB ARG A 33 2.206 8.557 -4.222 1.00 23.21 C ATOM 510 CG ARG A 33 2.524 9.831 -5.005 1.00 0.12 C ATOM 511 CD ARG A 33 4.025 10.071 -5.233 1.00 24.21 C ATOM 512 NE ARG A 33 4.303 11.423 -5.733 1.00 30.13 N ATOM 513 CZ ARG A 33 3.982 11.937 -6.926 1.00 4.15 C ATOM 514 NH1 ARG A 33 3.267 11.266 -7.824 1.00 54.50 N ATOM 515 NH2 ARG A 33 4.380 13.160 -7.218 1.00 43.41 N ATOM 0 H ARG A 33 1.762 5.774 -3.964 1.00 72.05 H new ATOM 0 HA ARG A 33 3.208 7.590 -5.824 1.00 33.34 H new ATOM 0 HB2 ARG A 33 1.126 8.413 -4.194 1.00 23.21 H new ATOM 0 HB3 ARG A 33 2.538 8.677 -3.191 1.00 23.21 H new ATOM 0 HG2 ARG A 33 2.024 9.784 -5.972 1.00 0.12 H new ATOM 0 HG3 ARG A 33 2.108 10.686 -4.472 1.00 0.12 H new ATOM 0 HD2 ARG A 33 4.562 9.914 -4.297 1.00 24.21 H new ATOM 0 HD3 ARG A 33 4.404 9.338 -5.945 1.00 24.21 H new ATOM 0 HE ARG A 33 4.800 12.045 -5.095 1.00 30.13 H new ATOM 0 HH11 ARG A 33 2.941 10.322 -7.615 1.00 54.50 H new ATOM 0 HH12 ARG A 33 3.044 11.695 -8.722 1.00 54.50 H new ATOM 0 HH21 ARG A 33 4.922 13.695 -6.540 1.00 43.41 H new ATOM 0 HH22 ARG A 33 4.146 13.570 -8.122 1.00 43.41 H new ATOM 529 N LEU A 34 5.168 6.481 -4.712 1.00 35.33 N ATOM 530 CA LEU A 34 6.414 6.014 -4.115 1.00 23.12 C ATOM 531 C LEU A 34 7.255 7.248 -3.821 1.00 60.45 C ATOM 532 O LEU A 34 7.663 7.945 -4.751 1.00 24.13 O ATOM 533 CB LEU A 34 7.105 4.997 -5.053 1.00 14.33 C ATOM 534 CG LEU A 34 8.440 4.359 -4.577 1.00 32.05 C ATOM 535 CD1 LEU A 34 9.612 5.189 -5.109 1.00 51.25 C ATOM 536 CD2 LEU A 34 8.559 4.256 -3.055 1.00 51.40 C ATOM 0 H LEU A 34 5.208 6.527 -5.730 1.00 35.33 H new ATOM 0 HA LEU A 34 6.249 5.477 -3.181 1.00 23.12 H new ATOM 0 HB2 LEU A 34 6.399 4.189 -5.248 1.00 14.33 H new ATOM 0 HB3 LEU A 34 7.293 5.494 -6.005 1.00 14.33 H new ATOM 0 HG LEU A 34 8.458 3.342 -4.969 1.00 32.05 H new ATOM 0 HD11 LEU A 34 10.551 4.746 -4.778 1.00 51.25 H new ATOM 0 HD12 LEU A 34 9.582 5.204 -6.198 1.00 51.25 H new ATOM 0 HD13 LEU A 34 9.538 6.208 -4.730 1.00 51.25 H new ATOM 0 HD21 LEU A 34 9.515 3.802 -2.795 1.00 51.40 H new ATOM 0 HD22 LEU A 34 8.500 5.252 -2.617 1.00 51.40 H new ATOM 0 HD23 LEU A 34 7.747 3.640 -2.667 1.00 51.40 H new ATOM 548 N ARG A 35 7.462 7.565 -2.542 1.00 20.21 N ATOM 549 CA ARG A 35 8.251 8.701 -2.095 1.00 63.13 C ATOM 550 C ARG A 35 9.575 8.151 -1.579 1.00 65.03 C ATOM 551 O ARG A 35 9.782 7.981 -0.372 1.00 24.45 O ATOM 552 CB ARG A 35 7.489 9.528 -1.051 1.00 31.14 C ATOM 553 CG ARG A 35 6.311 10.319 -1.643 1.00 72.24 C ATOM 554 CD ARG A 35 6.014 11.512 -0.734 1.00 23.14 C ATOM 555 NE ARG A 35 5.012 12.433 -1.295 1.00 34.55 N ATOM 556 CZ ARG A 35 4.955 13.745 -1.035 1.00 34.34 C ATOM 557 NH1 ARG A 35 5.855 14.340 -0.270 1.00 4.12 N ATOM 558 NH2 ARG A 35 3.986 14.482 -1.540 1.00 32.33 N ATOM 0 H ARG A 35 7.073 7.021 -1.772 1.00 20.21 H new ATOM 0 HA ARG A 35 8.447 9.395 -2.913 1.00 63.13 H new ATOM 0 HB2 ARG A 35 7.116 8.863 -0.272 1.00 31.14 H new ATOM 0 HB3 ARG A 35 8.180 10.222 -0.573 1.00 31.14 H new ATOM 0 HG2 ARG A 35 6.554 10.662 -2.649 1.00 72.24 H new ATOM 0 HG3 ARG A 35 5.432 9.680 -1.727 1.00 72.24 H new ATOM 0 HD2 ARG A 35 5.662 11.147 0.231 1.00 23.14 H new ATOM 0 HD3 ARG A 35 6.938 12.059 -0.550 1.00 23.14 H new ATOM 0 HE ARG A 35 4.312 12.044 -1.926 1.00 34.55 H new ATOM 0 HH11 ARG A 35 6.616 13.797 0.138 1.00 4.12 H new ATOM 0 HH12 ARG A 35 5.788 15.341 -0.088 1.00 4.12 H new ATOM 0 HH21 ARG A 35 3.275 14.053 -2.132 1.00 32.33 H new ATOM 0 HH22 ARG A 35 3.947 15.481 -1.339 1.00 32.33 H new ATOM 572 N ALA A 36 10.482 7.856 -2.515 1.00 11.44 N ATOM 573 CA ALA A 36 11.816 7.330 -2.224 1.00 61.32 C ATOM 574 C ALA A 36 12.570 8.238 -1.244 1.00 74.31 C ATOM 575 O ALA A 36 13.342 7.751 -0.418 1.00 65.51 O ATOM 576 CB ALA A 36 12.611 7.195 -3.525 1.00 30.41 C ATOM 0 H ALA A 36 10.305 7.979 -3.512 1.00 11.44 H new ATOM 0 HA ALA A 36 11.703 6.351 -1.759 1.00 61.32 H new ATOM 0 HB1 ALA A 36 13.604 6.803 -3.306 1.00 30.41 H new ATOM 0 HB2 ALA A 36 12.093 6.513 -4.199 1.00 30.41 H new ATOM 0 HB3 ALA A 36 12.703 8.173 -3.998 1.00 30.41 H new ATOM 582 N ASP A 37 12.238 9.533 -1.260 1.00 64.43 N ATOM 583 CA ASP A 37 12.791 10.602 -0.436 1.00 54.03 C ATOM 584 C ASP A 37 12.794 10.292 1.060 1.00 52.24 C ATOM 585 O ASP A 37 13.621 10.825 1.796 1.00 63.14 O ATOM 586 CB ASP A 37 11.972 11.873 -0.665 1.00 14.14 C ATOM 587 CG ASP A 37 12.414 12.586 -1.928 1.00 63.40 C ATOM 588 OD1 ASP A 37 11.859 12.292 -3.008 1.00 52.23 O ATOM 589 OD2 ASP A 37 13.303 13.463 -1.815 1.00 70.30 O ATOM 0 H ASP A 37 11.523 9.882 -1.898 1.00 64.43 H new ATOM 0 HA ASP A 37 13.832 10.721 -0.738 1.00 54.03 H new ATOM 0 HB2 ASP A 37 10.914 11.620 -0.738 1.00 14.14 H new ATOM 0 HB3 ASP A 37 12.082 12.540 0.190 1.00 14.14 H new ATOM 594 N LYS A 38 11.860 9.459 1.524 1.00 50.11 N ATOM 595 CA LYS A 38 11.730 9.043 2.917 1.00 22.13 C ATOM 596 C LYS A 38 11.551 7.522 3.025 1.00 40.12 C ATOM 597 O LYS A 38 11.252 7.025 4.114 1.00 30.42 O ATOM 598 CB LYS A 38 10.614 9.862 3.596 1.00 10.13 C ATOM 599 CG LYS A 38 11.185 11.106 4.290 1.00 51.34 C ATOM 600 CD LYS A 38 10.175 11.793 5.222 1.00 74.53 C ATOM 601 CE LYS A 38 9.376 12.894 4.516 1.00 2.54 C ATOM 602 NZ LYS A 38 8.399 13.517 5.432 1.00 34.34 N ATOM 0 H LYS A 38 11.152 9.044 0.919 1.00 50.11 H new ATOM 0 HA LYS A 38 12.650 9.257 3.460 1.00 22.13 H new ATOM 0 HB2 LYS A 38 9.876 10.163 2.852 1.00 10.13 H new ATOM 0 HB3 LYS A 38 10.095 9.240 4.326 1.00 10.13 H new ATOM 0 HG2 LYS A 38 12.066 10.822 4.865 1.00 51.34 H new ATOM 0 HG3 LYS A 38 11.515 11.818 3.533 1.00 51.34 H new ATOM 0 HD2 LYS A 38 9.486 11.047 5.619 1.00 74.53 H new ATOM 0 HD3 LYS A 38 10.705 12.222 6.073 1.00 74.53 H new ATOM 0 HE2 LYS A 38 10.058 13.655 4.136 1.00 2.54 H new ATOM 0 HE3 LYS A 38 8.855 12.474 3.656 1.00 2.54 H new ATOM 0 HZ1 LYS A 38 7.873 14.258 4.927 1.00 34.34 H new ATOM 0 HZ2 LYS A 38 7.735 12.794 5.775 1.00 34.34 H new ATOM 0 HZ3 LYS A 38 8.900 13.938 6.240 1.00 34.34 H new ATOM 616 N GLY A 39 11.738 6.782 1.925 1.00 33.41 N ATOM 617 CA GLY A 39 11.590 5.332 1.862 1.00 64.14 C ATOM 618 C GLY A 39 10.166 4.923 2.210 1.00 44.03 C ATOM 619 O GLY A 39 9.987 3.960 2.950 1.00 2.42 O ATOM 0 H GLY A 39 12.004 7.193 1.030 1.00 33.41 H new ATOM 0 HA2 GLY A 39 11.841 4.979 0.862 1.00 64.14 H new ATOM 0 HA3 GLY A 39 12.289 4.859 2.552 1.00 64.14 H new ATOM 623 N ILE A 40 9.166 5.641 1.697 1.00 51.21 N ATOM 624 CA ILE A 40 7.752 5.396 1.948 1.00 11.42 C ATOM 625 C ILE A 40 6.951 5.379 0.654 1.00 33.34 C ATOM 626 O ILE A 40 7.427 5.796 -0.400 1.00 73.24 O ATOM 627 CB ILE A 40 7.184 6.442 2.938 1.00 52.41 C ATOM 628 CG1 ILE A 40 7.748 7.839 2.662 1.00 0.31 C ATOM 629 CG2 ILE A 40 7.457 6.048 4.396 1.00 42.44 C ATOM 630 CD1 ILE A 40 6.920 8.993 3.238 1.00 12.23 C ATOM 0 H ILE A 40 9.327 6.434 1.076 1.00 51.21 H new ATOM 0 HA ILE A 40 7.660 4.409 2.402 1.00 11.42 H new ATOM 0 HB ILE A 40 6.105 6.466 2.784 1.00 52.41 H new ATOM 0 HG12 ILE A 40 8.757 7.895 3.071 1.00 0.31 H new ATOM 0 HG13 ILE A 40 7.833 7.974 1.584 1.00 0.31 H new ATOM 0 HG21 ILE A 40 7.044 6.806 5.061 1.00 42.44 H new ATOM 0 HG22 ILE A 40 6.989 5.086 4.607 1.00 42.44 H new ATOM 0 HG23 ILE A 40 8.532 5.971 4.557 1.00 42.44 H new ATOM 0 HD11 ILE A 40 7.397 9.942 2.992 1.00 12.23 H new ATOM 0 HD12 ILE A 40 5.917 8.970 2.811 1.00 12.23 H new ATOM 0 HD13 ILE A 40 6.856 8.889 4.321 1.00 12.23 H new ATOM 642 N ALA A 41 5.725 4.883 0.753 1.00 14.33 N ATOM 643 CA ALA A 41 4.749 4.747 -0.300 1.00 11.15 C ATOM 644 C ALA A 41 3.365 5.030 0.290 1.00 53.20 C ATOM 645 O ALA A 41 3.115 4.783 1.473 1.00 11.22 O ATOM 646 CB ALA A 41 4.850 3.326 -0.869 1.00 2.43 C ATOM 0 H ALA A 41 5.367 4.541 1.645 1.00 14.33 H new ATOM 0 HA ALA A 41 4.925 5.453 -1.112 1.00 11.15 H new ATOM 0 HB1 ALA A 41 4.119 3.201 -1.668 1.00 2.43 H new ATOM 0 HB2 ALA A 41 5.852 3.163 -1.265 1.00 2.43 H new ATOM 0 HB3 ALA A 41 4.650 2.603 -0.079 1.00 2.43 H new ATOM 652 N PHE A 42 2.470 5.575 -0.529 1.00 45.04 N ATOM 653 CA PHE A 42 1.092 5.905 -0.181 1.00 43.42 C ATOM 654 C PHE A 42 0.222 5.179 -1.189 1.00 61.13 C ATOM 655 O PHE A 42 0.489 5.272 -2.393 1.00 1.32 O ATOM 656 CB PHE A 42 0.832 7.416 -0.270 1.00 31.24 C ATOM 657 CG PHE A 42 1.407 8.245 0.859 1.00 34.53 C ATOM 658 CD1 PHE A 42 0.774 8.247 2.118 1.00 75.34 C ATOM 659 CD2 PHE A 42 2.550 9.039 0.651 1.00 44.23 C ATOM 660 CE1 PHE A 42 1.275 9.047 3.159 1.00 51.34 C ATOM 661 CE2 PHE A 42 3.050 9.838 1.695 1.00 41.30 C ATOM 662 CZ PHE A 42 2.408 9.851 2.945 1.00 15.20 C ATOM 0 H PHE A 42 2.696 5.809 -1.496 1.00 45.04 H new ATOM 0 HA PHE A 42 0.877 5.607 0.845 1.00 43.42 H new ATOM 0 HB2 PHE A 42 1.242 7.782 -1.211 1.00 31.24 H new ATOM 0 HB3 PHE A 42 -0.245 7.580 -0.306 1.00 31.24 H new ATOM 0 HD1 PHE A 42 -0.098 7.632 2.283 1.00 75.34 H new ATOM 0 HD2 PHE A 42 3.043 9.035 -0.310 1.00 44.23 H new ATOM 0 HE1 PHE A 42 0.789 9.044 4.124 1.00 51.34 H new ATOM 0 HE2 PHE A 42 3.930 10.443 1.535 1.00 41.30 H new ATOM 0 HZ PHE A 42 2.784 10.478 3.740 1.00 15.20 H new ATOM 672 N LEU A 43 -0.779 4.437 -0.721 1.00 64.23 N ATOM 673 CA LEU A 43 -1.677 3.691 -1.588 1.00 34.11 C ATOM 674 C LEU A 43 -3.100 4.010 -1.182 1.00 41.00 C ATOM 675 O LEU A 43 -3.473 3.763 -0.037 1.00 1.31 O ATOM 676 CB LEU A 43 -1.410 2.184 -1.528 1.00 34.25 C ATOM 677 CG LEU A 43 -0.066 1.779 -2.159 1.00 42.43 C ATOM 678 CD1 LEU A 43 1.050 1.644 -1.117 1.00 41.43 C ATOM 679 CD2 LEU A 43 -0.214 0.446 -2.883 1.00 31.40 C ATOM 0 H LEU A 43 -0.988 4.338 0.273 1.00 64.23 H new ATOM 0 HA LEU A 43 -1.507 3.989 -2.623 1.00 34.11 H new ATOM 0 HB2 LEU A 43 -1.427 1.860 -0.487 1.00 34.25 H new ATOM 0 HB3 LEU A 43 -2.217 1.658 -2.039 1.00 34.25 H new ATOM 0 HG LEU A 43 0.208 2.571 -2.855 1.00 42.43 H new ATOM 0 HD11 LEU A 43 1.977 1.357 -1.612 1.00 41.43 H new ATOM 0 HD12 LEU A 43 1.190 2.598 -0.609 1.00 41.43 H new ATOM 0 HD13 LEU A 43 0.777 0.881 -0.388 1.00 41.43 H new ATOM 0 HD21 LEU A 43 0.741 0.165 -3.327 1.00 31.40 H new ATOM 0 HD22 LEU A 43 -0.523 -0.321 -2.173 1.00 31.40 H new ATOM 0 HD23 LEU A 43 -0.965 0.539 -3.667 1.00 31.40 H new ATOM 691 N GLU A 44 -3.842 4.668 -2.066 1.00 62.12 N ATOM 692 CA GLU A 44 -5.231 5.039 -1.845 1.00 11.13 C ATOM 693 C GLU A 44 -6.060 3.902 -2.427 1.00 13.45 C ATOM 694 O GLU A 44 -5.593 3.218 -3.341 1.00 23.12 O ATOM 695 CB GLU A 44 -5.573 6.349 -2.590 1.00 43.23 C ATOM 696 CG GLU A 44 -4.462 7.413 -2.591 1.00 20.44 C ATOM 697 CD GLU A 44 -4.921 8.744 -3.188 1.00 44.15 C ATOM 698 OE1 GLU A 44 -5.275 8.797 -4.393 1.00 53.11 O ATOM 699 OE2 GLU A 44 -4.783 9.775 -2.498 1.00 54.22 O ATOM 0 H GLU A 44 -3.485 4.964 -2.975 1.00 62.12 H new ATOM 0 HA GLU A 44 -5.428 5.200 -0.785 1.00 11.13 H new ATOM 0 HB2 GLU A 44 -5.822 6.106 -3.623 1.00 43.23 H new ATOM 0 HB3 GLU A 44 -6.467 6.781 -2.140 1.00 43.23 H new ATOM 0 HG2 GLU A 44 -4.120 7.576 -1.569 1.00 20.44 H new ATOM 0 HG3 GLU A 44 -3.608 7.041 -3.157 1.00 20.44 H new ATOM 706 N PHE A 45 -7.285 3.706 -1.949 1.00 74.31 N ATOM 707 CA PHE A 45 -8.171 2.666 -2.447 1.00 71.12 C ATOM 708 C PHE A 45 -9.566 3.273 -2.505 1.00 35.55 C ATOM 709 O PHE A 45 -9.943 3.967 -1.567 1.00 4.22 O ATOM 710 CB PHE A 45 -8.137 1.447 -1.513 1.00 55.23 C ATOM 711 CG PHE A 45 -6.885 0.583 -1.556 1.00 62.41 C ATOM 712 CD1 PHE A 45 -5.656 1.034 -1.026 1.00 53.24 C ATOM 713 CD2 PHE A 45 -6.982 -0.747 -2.007 1.00 35.32 C ATOM 714 CE1 PHE A 45 -4.538 0.180 -0.983 1.00 50.52 C ATOM 715 CE2 PHE A 45 -5.871 -1.601 -1.943 1.00 74.21 C ATOM 716 CZ PHE A 45 -4.641 -1.141 -1.446 1.00 74.34 C ATOM 0 H PHE A 45 -7.691 4.269 -1.201 1.00 74.31 H new ATOM 0 HA PHE A 45 -7.863 2.320 -3.434 1.00 71.12 H new ATOM 0 HB2 PHE A 45 -8.272 1.799 -0.490 1.00 55.23 H new ATOM 0 HB3 PHE A 45 -8.994 0.815 -1.748 1.00 55.23 H new ATOM 0 HD1 PHE A 45 -5.573 2.043 -0.650 1.00 53.24 H new ATOM 0 HD2 PHE A 45 -7.917 -1.112 -2.405 1.00 35.32 H new ATOM 0 HE1 PHE A 45 -3.598 0.542 -0.593 1.00 50.52 H new ATOM 0 HE2 PHE A 45 -5.963 -2.623 -2.280 1.00 74.21 H new ATOM 0 HZ PHE A 45 -3.783 -1.797 -1.420 1.00 74.34 H new ATOM 726 N ASP A 46 -10.347 3.043 -3.557 1.00 22.21 N ATOM 727 CA ASP A 46 -11.699 3.606 -3.637 1.00 22.54 C ATOM 728 C ASP A 46 -12.664 2.729 -2.837 1.00 11.30 C ATOM 729 O ASP A 46 -12.910 1.578 -3.212 1.00 24.34 O ATOM 730 CB ASP A 46 -12.147 3.752 -5.094 1.00 41.51 C ATOM 731 CG ASP A 46 -13.571 4.308 -5.199 1.00 34.03 C ATOM 732 OD1 ASP A 46 -14.169 4.694 -4.175 1.00 73.33 O ATOM 733 OD2 ASP A 46 -14.103 4.351 -6.329 1.00 72.52 O ATOM 0 H ASP A 46 -10.074 2.477 -4.360 1.00 22.21 H new ATOM 0 HA ASP A 46 -11.697 4.606 -3.203 1.00 22.54 H new ATOM 0 HB2 ASP A 46 -11.459 4.413 -5.621 1.00 41.51 H new ATOM 0 HB3 ASP A 46 -12.098 2.782 -5.588 1.00 41.51 H new ATOM 738 N ALA A 47 -13.155 3.245 -1.707 1.00 53.23 N ATOM 739 CA ALA A 47 -14.086 2.560 -0.820 1.00 10.10 C ATOM 740 C ALA A 47 -15.479 2.428 -1.433 1.00 60.34 C ATOM 741 O ALA A 47 -16.281 1.638 -0.933 1.00 31.31 O ATOM 742 CB ALA A 47 -14.162 3.281 0.533 1.00 12.44 C ATOM 0 H ALA A 47 -12.906 4.178 -1.379 1.00 53.23 H new ATOM 0 HA ALA A 47 -13.705 1.550 -0.668 1.00 10.10 H new ATOM 0 HB1 ALA A 47 -14.861 2.758 1.185 1.00 12.44 H new ATOM 0 HB2 ALA A 47 -13.175 3.293 0.995 1.00 12.44 H new ATOM 0 HB3 ALA A 47 -14.504 4.305 0.381 1.00 12.44 H new ATOM 748 N ASP A 48 -15.804 3.199 -2.473 1.00 64.11 N ATOM 749 CA ASP A 48 -17.104 3.119 -3.126 1.00 5.21 C ATOM 750 C ASP A 48 -17.094 2.060 -4.223 1.00 32.14 C ATOM 751 O ASP A 48 -18.163 1.563 -4.586 1.00 34.43 O ATOM 752 CB ASP A 48 -17.526 4.470 -3.708 1.00 73.32 C ATOM 753 CG ASP A 48 -19.019 4.449 -4.018 1.00 2.44 C ATOM 754 OD1 ASP A 48 -19.803 4.453 -3.035 1.00 25.04 O ATOM 755 OD2 ASP A 48 -19.409 4.439 -5.210 1.00 1.44 O ATOM 0 H ASP A 48 -15.175 3.891 -2.881 1.00 64.11 H new ATOM 0 HA ASP A 48 -17.831 2.835 -2.365 1.00 5.21 H new ATOM 0 HB2 ASP A 48 -17.302 5.268 -3.000 1.00 73.32 H new ATOM 0 HB3 ASP A 48 -16.959 4.680 -4.615 1.00 73.32 H new ATOM 760 N LYS A 49 -15.918 1.633 -4.709 1.00 23.13 N ATOM 761 CA LYS A 49 -15.833 0.628 -5.759 1.00 40.10 C ATOM 762 C LYS A 49 -16.465 -0.682 -5.293 1.00 43.51 C ATOM 763 O LYS A 49 -17.093 -1.355 -6.105 1.00 53.30 O ATOM 764 CB LYS A 49 -14.365 0.446 -6.175 1.00 1.42 C ATOM 765 CG LYS A 49 -14.306 -0.163 -7.575 1.00 44.01 C ATOM 766 CD LYS A 49 -12.903 -0.190 -8.188 1.00 70.41 C ATOM 767 CE LYS A 49 -11.966 -1.180 -7.483 1.00 52.33 C ATOM 768 NZ LYS A 49 -10.573 -1.052 -7.960 1.00 60.23 N ATOM 0 H LYS A 49 -15.014 1.975 -4.384 1.00 23.13 H new ATOM 0 HA LYS A 49 -16.392 0.959 -6.634 1.00 40.10 H new ATOM 0 HB2 LYS A 49 -13.850 1.407 -6.162 1.00 1.42 H new ATOM 0 HB3 LYS A 49 -13.851 -0.200 -5.463 1.00 1.42 H new ATOM 0 HG2 LYS A 49 -14.692 -1.182 -7.533 1.00 44.01 H new ATOM 0 HG3 LYS A 49 -14.967 0.401 -8.233 1.00 44.01 H new ATOM 0 HD2 LYS A 49 -12.977 -0.455 -9.243 1.00 70.41 H new ATOM 0 HD3 LYS A 49 -12.471 0.810 -8.140 1.00 70.41 H new ATOM 0 HE2 LYS A 49 -11.999 -1.008 -6.407 1.00 52.33 H new ATOM 0 HE3 LYS A 49 -12.317 -2.198 -7.654 1.00 52.33 H new ATOM 0 HZ1 LYS A 49 -9.971 -1.737 -7.460 1.00 60.23 H new ATOM 0 HZ2 LYS A 49 -10.537 -1.240 -8.982 1.00 60.23 H new ATOM 0 HZ3 LYS A 49 -10.229 -0.088 -7.773 1.00 60.23 H new ATOM 782 N ASP A 50 -16.327 -1.028 -4.013 1.00 11.35 N ATOM 783 CA ASP A 50 -16.883 -2.221 -3.392 1.00 3.31 C ATOM 784 C ASP A 50 -17.140 -1.853 -1.935 1.00 73.43 C ATOM 785 O ASP A 50 -16.299 -2.103 -1.074 1.00 43.04 O ATOM 786 CB ASP A 50 -15.951 -3.446 -3.480 1.00 4.34 C ATOM 787 CG ASP A 50 -15.929 -4.097 -4.853 1.00 33.11 C ATOM 788 OD1 ASP A 50 -16.995 -4.559 -5.312 1.00 35.42 O ATOM 789 OD2 ASP A 50 -14.841 -4.194 -5.464 1.00 24.23 O ATOM 0 H ASP A 50 -15.800 -0.455 -3.354 1.00 11.35 H new ATOM 0 HA ASP A 50 -17.792 -2.517 -3.916 1.00 3.31 H new ATOM 0 HB2 ASP A 50 -14.938 -3.141 -3.215 1.00 4.34 H new ATOM 0 HB3 ASP A 50 -16.265 -4.184 -2.742 1.00 4.34 H new ATOM 794 N ARG A 51 -18.307 -1.280 -1.627 1.00 32.14 N ATOM 795 CA ARG A 51 -18.702 -0.875 -0.272 1.00 42.05 C ATOM 796 C ARG A 51 -18.493 -1.992 0.749 1.00 44.03 C ATOM 797 O ARG A 51 -18.017 -1.751 1.859 1.00 34.12 O ATOM 798 CB ARG A 51 -20.186 -0.474 -0.312 1.00 24.21 C ATOM 799 CG ARG A 51 -20.636 0.431 0.836 1.00 30.44 C ATOM 800 CD ARG A 51 -20.562 1.927 0.482 1.00 41.11 C ATOM 801 NE ARG A 51 -21.603 2.371 -0.476 1.00 24.51 N ATOM 802 CZ ARG A 51 -22.911 2.518 -0.215 1.00 60.03 C ATOM 803 NH1 ARG A 51 -23.419 2.171 0.959 1.00 70.43 N ATOM 804 NH2 ARG A 51 -23.727 3.027 -1.126 1.00 51.42 N ATOM 0 H ARG A 51 -19.021 -1.080 -2.328 1.00 32.14 H new ATOM 0 HA ARG A 51 -18.076 -0.040 0.042 1.00 42.05 H new ATOM 0 HB2 ARG A 51 -20.386 0.033 -1.256 1.00 24.21 H new ATOM 0 HB3 ARG A 51 -20.793 -1.379 -0.302 1.00 24.21 H new ATOM 0 HG2 ARG A 51 -21.660 0.178 1.112 1.00 30.44 H new ATOM 0 HG3 ARG A 51 -20.014 0.238 1.710 1.00 30.44 H new ATOM 0 HD2 ARG A 51 -20.652 2.512 1.398 1.00 41.11 H new ATOM 0 HD3 ARG A 51 -19.580 2.142 0.061 1.00 41.11 H new ATOM 0 HE ARG A 51 -21.295 2.585 -1.425 1.00 24.51 H new ATOM 0 HH11 ARG A 51 -22.813 1.785 1.683 1.00 70.43 H new ATOM 0 HH12 ARG A 51 -24.416 2.290 1.139 1.00 70.43 H new ATOM 0 HH21 ARG A 51 -23.363 3.311 -2.035 1.00 51.42 H new ATOM 0 HH22 ARG A 51 -24.720 3.135 -0.918 1.00 51.42 H new ATOM 818 N THR A 52 -18.755 -3.225 0.333 1.00 60.11 N ATOM 819 CA THR A 52 -18.644 -4.422 1.142 1.00 43.22 C ATOM 820 C THR A 52 -17.320 -5.189 0.932 1.00 41.04 C ATOM 821 O THR A 52 -17.096 -6.188 1.620 1.00 42.34 O ATOM 822 CB THR A 52 -19.882 -5.306 0.845 1.00 72.02 C ATOM 823 OG1 THR A 52 -20.877 -4.656 0.053 1.00 24.33 O ATOM 824 CG2 THR A 52 -20.565 -5.713 2.149 1.00 12.21 C ATOM 0 H THR A 52 -19.064 -3.421 -0.619 1.00 60.11 H new ATOM 0 HA THR A 52 -18.623 -4.136 2.194 1.00 43.22 H new ATOM 0 HB THR A 52 -19.493 -6.161 0.292 1.00 72.02 H new ATOM 0 HG1 THR A 52 -21.627 -5.269 -0.098 1.00 24.33 H new ATOM 0 HG21 THR A 52 -21.433 -6.334 1.927 1.00 12.21 H new ATOM 0 HG22 THR A 52 -19.865 -6.276 2.766 1.00 12.21 H new ATOM 0 HG23 THR A 52 -20.885 -4.820 2.686 1.00 12.21 H new ATOM 832 N GLY A 53 -16.443 -4.752 0.017 1.00 1.23 N ATOM 833 CA GLY A 53 -15.168 -5.400 -0.299 1.00 42.25 C ATOM 834 C GLY A 53 -13.934 -4.578 0.039 1.00 50.11 C ATOM 835 O GLY A 53 -12.866 -5.161 0.217 1.00 53.24 O ATOM 0 H GLY A 53 -16.609 -3.913 -0.539 1.00 1.23 H new ATOM 0 HA2 GLY A 53 -15.115 -6.347 0.238 1.00 42.25 H new ATOM 0 HA3 GLY A 53 -15.150 -5.636 -1.363 1.00 42.25 H new ATOM 839 N ILE A 54 -14.049 -3.258 0.198 1.00 62.43 N ATOM 840 CA ILE A 54 -12.923 -2.388 0.528 1.00 11.33 C ATOM 841 C ILE A 54 -12.171 -2.889 1.769 1.00 54.34 C ATOM 842 O ILE A 54 -10.942 -2.854 1.817 1.00 43.51 O ATOM 843 CB ILE A 54 -13.414 -0.930 0.666 1.00 40.22 C ATOM 844 CG1 ILE A 54 -12.249 0.018 1.016 1.00 23.11 C ATOM 845 CG2 ILE A 54 -14.554 -0.770 1.686 1.00 51.42 C ATOM 846 CD1 ILE A 54 -11.261 0.152 -0.147 1.00 11.44 C ATOM 0 H ILE A 54 -14.934 -2.761 0.100 1.00 62.43 H new ATOM 0 HA ILE A 54 -12.198 -2.415 -0.285 1.00 11.33 H new ATOM 0 HB ILE A 54 -13.818 -0.656 -0.309 1.00 40.22 H new ATOM 0 HG12 ILE A 54 -12.644 1.001 1.274 1.00 23.11 H new ATOM 0 HG13 ILE A 54 -11.727 -0.356 1.896 1.00 23.11 H new ATOM 0 HG21 ILE A 54 -14.853 0.277 1.736 1.00 51.42 H new ATOM 0 HG22 ILE A 54 -15.406 -1.377 1.378 1.00 51.42 H new ATOM 0 HG23 ILE A 54 -14.212 -1.097 2.668 1.00 51.42 H new ATOM 0 HD11 ILE A 54 -10.454 0.828 0.137 1.00 11.44 H new ATOM 0 HD12 ILE A 54 -10.847 -0.827 -0.387 1.00 11.44 H new ATOM 0 HD13 ILE A 54 -11.778 0.551 -1.020 1.00 11.44 H new ATOM 858 N GLN A 55 -12.916 -3.418 2.736 1.00 13.12 N ATOM 859 CA GLN A 55 -12.399 -3.969 3.971 1.00 5.45 C ATOM 860 C GLN A 55 -11.383 -5.067 3.624 1.00 1.00 C ATOM 861 O GLN A 55 -10.239 -5.009 4.069 1.00 34.15 O ATOM 862 CB GLN A 55 -13.612 -4.433 4.787 1.00 63.32 C ATOM 863 CG GLN A 55 -13.272 -5.089 6.121 1.00 61.11 C ATOM 864 CD GLN A 55 -12.916 -6.556 5.948 1.00 22.32 C ATOM 865 OE1 GLN A 55 -13.781 -7.384 5.677 1.00 50.23 O ATOM 866 NE2 GLN A 55 -11.642 -6.889 6.008 1.00 63.32 N ATOM 0 H GLN A 55 -13.932 -3.473 2.672 1.00 13.12 H new ATOM 0 HA GLN A 55 -11.853 -3.253 4.585 1.00 5.45 H new ATOM 0 HB2 GLN A 55 -14.256 -3.574 4.974 1.00 63.32 H new ATOM 0 HB3 GLN A 55 -14.187 -5.138 4.187 1.00 63.32 H new ATOM 0 HG2 GLN A 55 -12.436 -4.563 6.583 1.00 61.11 H new ATOM 0 HG3 GLN A 55 -14.121 -4.997 6.799 1.00 61.11 H new ATOM 0 HE21 GLN A 55 -10.941 -6.184 6.235 1.00 63.32 H new ATOM 0 HE22 GLN A 55 -11.357 -7.852 5.827 1.00 63.32 H new ATOM 875 N ARG A 56 -11.781 -6.065 2.821 1.00 72.52 N ATOM 876 CA ARG A 56 -10.919 -7.169 2.383 1.00 41.22 C ATOM 877 C ARG A 56 -9.682 -6.614 1.692 1.00 13.25 C ATOM 878 O ARG A 56 -8.578 -7.072 1.969 1.00 0.04 O ATOM 879 CB ARG A 56 -11.638 -8.083 1.374 1.00 11.14 C ATOM 880 CG ARG A 56 -12.389 -9.268 1.968 1.00 71.34 C ATOM 881 CD ARG A 56 -13.499 -8.902 2.963 1.00 42.40 C ATOM 882 NE ARG A 56 -14.633 -9.843 2.917 1.00 31.25 N ATOM 883 CZ ARG A 56 -14.555 -11.177 3.008 1.00 10.33 C ATOM 884 NH1 ARG A 56 -13.419 -11.768 3.358 1.00 64.01 N ATOM 885 NH2 ARG A 56 -15.614 -11.932 2.738 1.00 22.55 N ATOM 0 H ARG A 56 -12.730 -6.127 2.452 1.00 72.52 H new ATOM 0 HA ARG A 56 -10.654 -7.742 3.271 1.00 41.22 H new ATOM 0 HB2 ARG A 56 -12.344 -7.479 0.804 1.00 11.14 H new ATOM 0 HB3 ARG A 56 -10.900 -8.462 0.667 1.00 11.14 H new ATOM 0 HG2 ARG A 56 -12.828 -9.845 1.154 1.00 71.34 H new ATOM 0 HG3 ARG A 56 -11.672 -9.918 2.470 1.00 71.34 H new ATOM 0 HD2 ARG A 56 -13.087 -8.885 3.972 1.00 42.40 H new ATOM 0 HD3 ARG A 56 -13.858 -7.895 2.748 1.00 42.40 H new ATOM 0 HE ARG A 56 -15.564 -9.441 2.805 1.00 31.25 H new ATOM 0 HH11 ARG A 56 -12.593 -11.205 3.561 1.00 64.01 H new ATOM 0 HH12 ARG A 56 -13.372 -12.785 3.424 1.00 64.01 H new ATOM 0 HH21 ARG A 56 -16.493 -11.496 2.459 1.00 22.55 H new ATOM 0 HH22 ARG A 56 -15.548 -12.947 2.809 1.00 22.55 H new ATOM 899 N ARG A 57 -9.865 -5.659 0.775 1.00 21.34 N ATOM 900 CA ARG A 57 -8.758 -5.047 0.048 1.00 75.01 C ATOM 901 C ARG A 57 -7.742 -4.496 1.047 1.00 21.43 C ATOM 902 O ARG A 57 -6.550 -4.770 0.892 1.00 12.41 O ATOM 903 CB ARG A 57 -9.272 -3.959 -0.897 1.00 61.13 C ATOM 904 CG ARG A 57 -10.247 -4.448 -1.970 1.00 60.41 C ATOM 905 CD ARG A 57 -10.671 -3.217 -2.779 1.00 0.35 C ATOM 906 NE ARG A 57 -11.589 -3.537 -3.877 1.00 2.22 N ATOM 907 CZ ARG A 57 -11.267 -4.185 -4.999 1.00 51.31 C ATOM 908 NH1 ARG A 57 -10.047 -4.672 -5.192 1.00 5.22 N ATOM 909 NH2 ARG A 57 -12.176 -4.353 -5.942 1.00 61.10 N ATOM 0 H ARG A 57 -10.782 -5.292 0.519 1.00 21.34 H new ATOM 0 HA ARG A 57 -8.263 -5.798 -0.568 1.00 75.01 H new ATOM 0 HB2 ARG A 57 -9.763 -3.186 -0.305 1.00 61.13 H new ATOM 0 HB3 ARG A 57 -8.419 -3.491 -1.388 1.00 61.13 H new ATOM 0 HG2 ARG A 57 -9.773 -5.189 -2.614 1.00 60.41 H new ATOM 0 HG3 ARG A 57 -11.113 -4.928 -1.515 1.00 60.41 H new ATOM 0 HD2 ARG A 57 -11.148 -2.499 -2.112 1.00 0.35 H new ATOM 0 HD3 ARG A 57 -9.783 -2.733 -3.186 1.00 0.35 H new ATOM 0 HE ARG A 57 -12.559 -3.238 -3.774 1.00 2.22 H new ATOM 0 HH11 ARG A 57 -9.332 -4.555 -4.474 1.00 5.22 H new ATOM 0 HH12 ARG A 57 -9.825 -5.163 -6.058 1.00 5.22 H new ATOM 0 HH21 ARG A 57 -13.120 -3.988 -5.812 1.00 61.10 H new ATOM 0 HH22 ARG A 57 -11.935 -4.847 -6.801 1.00 61.10 H new ATOM 923 N MET A 58 -8.207 -3.776 2.075 1.00 2.55 N ATOM 924 CA MET A 58 -7.356 -3.216 3.107 1.00 13.51 C ATOM 925 C MET A 58 -6.653 -4.361 3.814 1.00 34.33 C ATOM 926 O MET A 58 -5.442 -4.344 3.894 1.00 64.24 O ATOM 927 CB MET A 58 -8.162 -2.370 4.115 1.00 14.22 C ATOM 928 CG MET A 58 -7.822 -0.886 3.997 1.00 41.20 C ATOM 929 SD MET A 58 -8.500 0.156 5.316 1.00 51.15 S ATOM 930 CE MET A 58 -10.119 0.458 4.573 1.00 72.10 C ATOM 0 H MET A 58 -9.197 -3.569 2.206 1.00 2.55 H new ATOM 0 HA MET A 58 -6.627 -2.548 2.648 1.00 13.51 H new ATOM 0 HB2 MET A 58 -9.228 -2.515 3.943 1.00 14.22 H new ATOM 0 HB3 MET A 58 -7.953 -2.713 5.128 1.00 14.22 H new ATOM 0 HG2 MET A 58 -6.738 -0.776 3.987 1.00 41.20 H new ATOM 0 HG3 MET A 58 -8.188 -0.519 3.038 1.00 41.20 H new ATOM 0 HE1 MET A 58 -10.729 1.047 5.257 1.00 72.10 H new ATOM 0 HE2 MET A 58 -9.994 1.003 3.637 1.00 72.10 H new ATOM 0 HE3 MET A 58 -10.612 -0.494 4.375 1.00 72.10 H new ATOM 940 N ASP A 59 -7.381 -5.380 4.266 1.00 43.12 N ATOM 941 CA ASP A 59 -6.886 -6.573 4.964 1.00 22.31 C ATOM 942 C ASP A 59 -5.650 -7.154 4.287 1.00 0.40 C ATOM 943 O ASP A 59 -4.607 -7.362 4.903 1.00 74.14 O ATOM 944 CB ASP A 59 -7.991 -7.636 4.943 1.00 54.53 C ATOM 945 CG ASP A 59 -8.132 -8.416 6.240 1.00 34.35 C ATOM 946 OD1 ASP A 59 -7.417 -9.427 6.421 1.00 11.43 O ATOM 947 OD2 ASP A 59 -9.038 -8.081 7.036 1.00 35.32 O ATOM 0 H ASP A 59 -8.394 -5.400 4.150 1.00 43.12 H new ATOM 0 HA ASP A 59 -6.617 -6.288 5.981 1.00 22.31 H new ATOM 0 HB2 ASP A 59 -8.941 -7.151 4.719 1.00 54.53 H new ATOM 0 HB3 ASP A 59 -7.791 -8.336 4.132 1.00 54.53 H new ATOM 952 N ILE A 60 -5.776 -7.392 2.982 1.00 3.52 N ATOM 953 CA ILE A 60 -4.744 -7.952 2.131 1.00 32.44 C ATOM 954 C ILE A 60 -3.502 -7.060 2.155 1.00 33.13 C ATOM 955 O ILE A 60 -2.385 -7.591 2.192 1.00 21.34 O ATOM 956 CB ILE A 60 -5.352 -8.187 0.725 1.00 14.14 C ATOM 957 CG1 ILE A 60 -6.439 -9.292 0.784 1.00 50.12 C ATOM 958 CG2 ILE A 60 -4.312 -8.567 -0.339 1.00 71.32 C ATOM 959 CD1 ILE A 60 -7.513 -9.143 -0.299 1.00 3.14 C ATOM 0 H ILE A 60 -6.637 -7.189 2.475 1.00 3.52 H new ATOM 0 HA ILE A 60 -4.398 -8.921 2.492 1.00 32.44 H new ATOM 0 HB ILE A 60 -5.787 -7.233 0.427 1.00 14.14 H new ATOM 0 HG12 ILE A 60 -5.962 -10.267 0.682 1.00 50.12 H new ATOM 0 HG13 ILE A 60 -6.916 -9.271 1.764 1.00 50.12 H new ATOM 0 HG21 ILE A 60 -4.810 -8.716 -1.297 1.00 71.32 H new ATOM 0 HG22 ILE A 60 -3.578 -7.767 -0.432 1.00 71.32 H new ATOM 0 HG23 ILE A 60 -3.810 -9.488 -0.044 1.00 71.32 H new ATOM 0 HD11 ILE A 60 -8.242 -9.947 -0.201 1.00 3.14 H new ATOM 0 HD12 ILE A 60 -8.015 -8.182 -0.184 1.00 3.14 H new ATOM 0 HD13 ILE A 60 -7.047 -9.193 -1.283 1.00 3.14 H new ATOM 971 N ALA A 61 -3.687 -5.740 2.107 1.00 45.35 N ATOM 972 CA ALA A 61 -2.613 -4.765 2.142 1.00 53.14 C ATOM 973 C ALA A 61 -2.042 -4.624 3.560 1.00 71.13 C ATOM 974 O ALA A 61 -0.831 -4.461 3.688 1.00 42.34 O ATOM 975 CB ALA A 61 -3.126 -3.412 1.630 1.00 40.01 C ATOM 0 H ALA A 61 -4.612 -5.316 2.041 1.00 45.35 H new ATOM 0 HA ALA A 61 -1.808 -5.110 1.493 1.00 53.14 H new ATOM 0 HB1 ALA A 61 -2.317 -2.682 1.658 1.00 40.01 H new ATOM 0 HB2 ALA A 61 -3.481 -3.522 0.605 1.00 40.01 H new ATOM 0 HB3 ALA A 61 -3.945 -3.070 2.263 1.00 40.01 H new ATOM 981 N LEU A 62 -2.865 -4.697 4.617 1.00 64.44 N ATOM 982 CA LEU A 62 -2.410 -4.558 6.008 1.00 1.50 C ATOM 983 C LEU A 62 -1.527 -5.740 6.376 1.00 4.02 C ATOM 984 O LEU A 62 -0.525 -5.584 7.072 1.00 74.23 O ATOM 985 CB LEU A 62 -3.594 -4.474 6.980 1.00 10.41 C ATOM 986 CG LEU A 62 -4.438 -3.186 6.894 1.00 74.31 C ATOM 987 CD1 LEU A 62 -5.580 -3.238 7.917 1.00 13.32 C ATOM 988 CD2 LEU A 62 -3.611 -1.916 7.112 1.00 32.51 C ATOM 0 H LEU A 62 -3.869 -4.855 4.530 1.00 64.44 H new ATOM 0 HA LEU A 62 -1.842 -3.631 6.088 1.00 1.50 H new ATOM 0 HB2 LEU A 62 -4.248 -5.328 6.802 1.00 10.41 H new ATOM 0 HB3 LEU A 62 -3.213 -4.570 7.997 1.00 10.41 H new ATOM 0 HG LEU A 62 -4.839 -3.140 5.882 1.00 74.31 H new ATOM 0 HD11 LEU A 62 -6.171 -2.325 7.849 1.00 13.32 H new ATOM 0 HD12 LEU A 62 -6.216 -4.098 7.709 1.00 13.32 H new ATOM 0 HD13 LEU A 62 -5.165 -3.328 8.921 1.00 13.32 H new ATOM 0 HD21 LEU A 62 -4.259 -1.043 7.040 1.00 32.51 H new ATOM 0 HD22 LEU A 62 -3.152 -1.946 8.100 1.00 32.51 H new ATOM 0 HD23 LEU A 62 -2.833 -1.854 6.352 1.00 32.51 H new ATOM 1000 N LEU A 63 -1.863 -6.921 5.856 1.00 23.20 N ATOM 1001 CA LEU A 63 -1.125 -8.157 6.069 1.00 0.03 C ATOM 1002 C LEU A 63 0.314 -8.049 5.551 1.00 55.11 C ATOM 1003 O LEU A 63 1.141 -8.886 5.915 1.00 31.44 O ATOM 1004 CB LEU A 63 -1.870 -9.309 5.368 1.00 5.15 C ATOM 1005 CG LEU A 63 -2.883 -10.005 6.291 1.00 23.12 C ATOM 1006 CD1 LEU A 63 -3.894 -10.795 5.453 1.00 33.11 C ATOM 1007 CD2 LEU A 63 -2.171 -10.952 7.266 1.00 44.03 C ATOM 0 H LEU A 63 -2.681 -7.043 5.258 1.00 23.20 H new ATOM 0 HA LEU A 63 -1.066 -8.353 7.140 1.00 0.03 H new ATOM 0 HB2 LEU A 63 -2.389 -8.921 4.492 1.00 5.15 H new ATOM 0 HB3 LEU A 63 -1.146 -10.041 5.011 1.00 5.15 H new ATOM 0 HG LEU A 63 -3.404 -9.240 6.867 1.00 23.12 H new ATOM 0 HD11 LEU A 63 -4.609 -11.286 6.113 1.00 33.11 H new ATOM 0 HD12 LEU A 63 -4.424 -10.115 4.786 1.00 33.11 H new ATOM 0 HD13 LEU A 63 -3.369 -11.547 4.863 1.00 33.11 H new ATOM 0 HD21 LEU A 63 -2.908 -11.433 7.909 1.00 44.03 H new ATOM 0 HD22 LEU A 63 -1.628 -11.712 6.704 1.00 44.03 H new ATOM 0 HD23 LEU A 63 -1.470 -10.384 7.878 1.00 44.03 H new ATOM 1019 N GLN A 64 0.644 -7.012 4.768 1.00 23.12 N ATOM 1020 CA GLN A 64 1.981 -6.828 4.223 1.00 21.43 C ATOM 1021 C GLN A 64 2.886 -6.110 5.253 1.00 10.31 C ATOM 1022 O GLN A 64 4.028 -5.762 4.947 1.00 41.44 O ATOM 1023 CB GLN A 64 1.942 -6.087 2.871 1.00 20.10 C ATOM 1024 CG GLN A 64 0.933 -6.574 1.820 1.00 51.54 C ATOM 1025 CD GLN A 64 1.187 -7.987 1.308 1.00 44.32 C ATOM 1026 OE1 GLN A 64 2.288 -8.336 0.902 1.00 11.33 O ATOM 1027 NE2 GLN A 64 0.156 -8.813 1.242 1.00 52.24 N ATOM 0 H GLN A 64 -0.015 -6.281 4.499 1.00 23.12 H new ATOM 0 HA GLN A 64 2.412 -7.810 4.027 1.00 21.43 H new ATOM 0 HB2 GLN A 64 1.737 -5.035 3.071 1.00 20.10 H new ATOM 0 HB3 GLN A 64 2.938 -6.140 2.430 1.00 20.10 H new ATOM 0 HG2 GLN A 64 -0.068 -6.531 2.248 1.00 51.54 H new ATOM 0 HG3 GLN A 64 0.948 -5.886 0.974 1.00 51.54 H new ATOM 0 HE21 GLN A 64 -0.758 -8.515 1.582 1.00 52.24 H new ATOM 0 HE22 GLN A 64 0.275 -9.747 0.851 1.00 52.24 H new ATOM 1036 N HIS A 65 2.408 -5.854 6.479 1.00 25.30 N ATOM 1037 CA HIS A 65 3.180 -5.230 7.539 1.00 51.13 C ATOM 1038 C HIS A 65 4.238 -6.246 7.952 1.00 55.11 C ATOM 1039 O HIS A 65 3.900 -7.319 8.464 1.00 54.22 O ATOM 1040 CB HIS A 65 2.292 -4.881 8.739 1.00 12.32 C ATOM 1041 CG HIS A 65 3.033 -4.135 9.815 1.00 72.23 C ATOM 1042 ND1 HIS A 65 3.953 -3.118 9.580 1.00 54.35 N ATOM 1043 CD2 HIS A 65 2.838 -4.261 11.158 1.00 71.32 C ATOM 1044 CE1 HIS A 65 4.250 -2.611 10.784 1.00 72.12 C ATOM 1045 NE2 HIS A 65 3.611 -3.289 11.751 1.00 1.32 N ATOM 0 H HIS A 65 1.454 -6.083 6.757 1.00 25.30 H new ATOM 0 HA HIS A 65 3.627 -4.298 7.192 1.00 51.13 H new ATOM 0 HB2 HIS A 65 1.450 -4.278 8.399 1.00 12.32 H new ATOM 0 HB3 HIS A 65 1.878 -5.798 9.158 1.00 12.32 H new ATOM 0 HD2 HIS A 65 2.204 -4.979 11.657 1.00 71.32 H new ATOM 0 HE1 HIS A 65 4.911 -1.774 10.953 1.00 72.12 H new ATOM 0 HE2 HIS A 65 3.686 -3.114 12.753 1.00 1.32 H new ATOM 1053 N GLY A 66 5.501 -5.927 7.705 1.00 44.44 N ATOM 1054 CA GLY A 66 6.641 -6.771 8.032 1.00 70.22 C ATOM 1055 C GLY A 66 7.090 -7.660 6.876 1.00 70.42 C ATOM 1056 O GLY A 66 7.965 -8.502 7.092 1.00 42.12 O ATOM 0 H GLY A 66 5.768 -5.049 7.259 1.00 44.44 H new ATOM 0 HA2 GLY A 66 7.474 -6.139 8.340 1.00 70.22 H new ATOM 0 HA3 GLY A 66 6.385 -7.399 8.885 1.00 70.22 H new ATOM 1060 N THR A 67 6.536 -7.531 5.667 1.00 15.53 N ATOM 1061 CA THR A 67 7.002 -8.375 4.576 1.00 2.33 C ATOM 1062 C THR A 67 8.431 -7.969 4.222 1.00 43.35 C ATOM 1063 O THR A 67 8.796 -6.789 4.309 1.00 24.42 O ATOM 1064 CB THR A 67 6.101 -8.253 3.339 1.00 74.51 C ATOM 1065 OG1 THR A 67 5.818 -6.905 3.019 1.00 1.50 O ATOM 1066 CG2 THR A 67 4.795 -9.018 3.545 1.00 62.32 C ATOM 0 H THR A 67 5.792 -6.875 5.429 1.00 15.53 H new ATOM 0 HA THR A 67 6.970 -9.415 4.900 1.00 2.33 H new ATOM 0 HB THR A 67 6.649 -8.689 2.504 1.00 74.51 H new ATOM 0 HG1 THR A 67 5.121 -6.566 3.619 1.00 1.50 H new ATOM 0 HG21 THR A 67 4.171 -8.919 2.657 1.00 62.32 H new ATOM 0 HG22 THR A 67 5.014 -10.072 3.719 1.00 62.32 H new ATOM 0 HG23 THR A 67 4.267 -8.610 4.407 1.00 62.32 H new ATOM 1074 N LEU A 68 9.265 -8.942 3.869 1.00 42.15 N ATOM 1075 CA LEU A 68 10.629 -8.676 3.464 1.00 42.13 C ATOM 1076 C LEU A 68 10.508 -8.450 1.971 1.00 33.22 C ATOM 1077 O LEU A 68 10.235 -9.379 1.214 1.00 44.54 O ATOM 1078 CB LEU A 68 11.570 -9.844 3.778 1.00 12.43 C ATOM 1079 CG LEU A 68 11.783 -10.111 5.278 1.00 50.53 C ATOM 1080 CD1 LEU A 68 13.003 -10.991 5.529 1.00 61.13 C ATOM 1081 CD2 LEU A 68 12.023 -8.824 6.054 1.00 31.41 C ATOM 0 H LEU A 68 9.010 -9.930 3.858 1.00 42.15 H new ATOM 0 HA LEU A 68 11.063 -7.829 3.996 1.00 42.13 H new ATOM 0 HB2 LEU A 68 11.173 -10.747 3.315 1.00 12.43 H new ATOM 0 HB3 LEU A 68 12.538 -9.648 3.317 1.00 12.43 H new ATOM 0 HG LEU A 68 10.870 -10.604 5.613 1.00 50.53 H new ATOM 0 HD11 LEU A 68 13.119 -11.156 6.600 1.00 61.13 H new ATOM 0 HD12 LEU A 68 12.870 -11.949 5.027 1.00 61.13 H new ATOM 0 HD13 LEU A 68 13.894 -10.498 5.140 1.00 61.13 H new ATOM 0 HD21 LEU A 68 12.169 -9.057 7.109 1.00 31.41 H new ATOM 0 HD22 LEU A 68 12.912 -8.326 5.666 1.00 31.41 H new ATOM 0 HD23 LEU A 68 11.161 -8.166 5.943 1.00 31.41 H new ATOM 1093 N LEU A 69 10.654 -7.201 1.559 1.00 1.23 N ATOM 1094 CA LEU A 69 10.572 -6.772 0.178 1.00 41.33 C ATOM 1095 C LEU A 69 11.955 -6.309 -0.216 1.00 62.32 C ATOM 1096 O LEU A 69 12.458 -5.345 0.353 1.00 42.30 O ATOM 1097 CB LEU A 69 9.543 -5.638 0.012 1.00 52.51 C ATOM 1098 CG LEU A 69 9.592 -4.971 -1.382 1.00 10.44 C ATOM 1099 CD1 LEU A 69 9.180 -5.924 -2.507 1.00 41.13 C ATOM 1100 CD2 LEU A 69 8.687 -3.741 -1.425 1.00 32.22 C ATOM 0 H LEU A 69 10.840 -6.432 2.203 1.00 1.23 H new ATOM 0 HA LEU A 69 10.239 -7.589 -0.462 1.00 41.33 H new ATOM 0 HB2 LEU A 69 8.543 -6.036 0.182 1.00 52.51 H new ATOM 0 HB3 LEU A 69 9.719 -4.881 0.776 1.00 52.51 H new ATOM 0 HG LEU A 69 10.631 -4.682 -1.543 1.00 10.44 H new ATOM 0 HD11 LEU A 69 9.233 -5.403 -3.463 1.00 41.13 H new ATOM 0 HD12 LEU A 69 9.854 -6.781 -2.523 1.00 41.13 H new ATOM 0 HD13 LEU A 69 8.160 -6.268 -2.337 1.00 41.13 H new ATOM 0 HD21 LEU A 69 8.737 -3.287 -2.415 1.00 32.22 H new ATOM 0 HD22 LEU A 69 7.660 -4.037 -1.213 1.00 32.22 H new ATOM 0 HD23 LEU A 69 9.018 -3.019 -0.678 1.00 32.22 H new ATOM 1112 N LYS A 70 12.551 -6.989 -1.195 1.00 44.54 N ATOM 1113 CA LYS A 70 13.874 -6.667 -1.721 1.00 44.14 C ATOM 1114 C LYS A 70 14.892 -6.435 -0.602 1.00 43.35 C ATOM 1115 O LYS A 70 15.505 -5.376 -0.501 1.00 30.12 O ATOM 1116 CB LYS A 70 13.761 -5.492 -2.699 1.00 51.02 C ATOM 1117 CG LYS A 70 12.824 -5.775 -3.887 1.00 1.42 C ATOM 1118 CD LYS A 70 12.077 -4.526 -4.366 1.00 1.25 C ATOM 1119 CE LYS A 70 12.938 -3.468 -5.059 1.00 65.04 C ATOM 1120 NZ LYS A 70 13.637 -4.002 -6.242 1.00 23.43 N ATOM 0 H LYS A 70 12.119 -7.793 -1.652 1.00 44.54 H new ATOM 0 HA LYS A 70 14.260 -7.522 -2.277 1.00 44.14 H new ATOM 0 HB2 LYS A 70 13.400 -4.615 -2.162 1.00 51.02 H new ATOM 0 HB3 LYS A 70 14.753 -5.248 -3.078 1.00 51.02 H new ATOM 0 HG2 LYS A 70 13.406 -6.184 -4.713 1.00 1.42 H new ATOM 0 HG3 LYS A 70 12.100 -6.537 -3.599 1.00 1.42 H new ATOM 0 HD2 LYS A 70 11.290 -4.836 -5.054 1.00 1.25 H new ATOM 0 HD3 LYS A 70 11.587 -4.066 -3.508 1.00 1.25 H new ATOM 0 HE2 LYS A 70 12.309 -2.630 -5.359 1.00 65.04 H new ATOM 0 HE3 LYS A 70 13.671 -3.079 -4.352 1.00 65.04 H new ATOM 0 HZ1 LYS A 70 13.877 -3.221 -6.885 1.00 23.43 H new ATOM 0 HZ2 LYS A 70 14.508 -4.484 -5.942 1.00 23.43 H new ATOM 0 HZ3 LYS A 70 13.019 -4.678 -6.734 1.00 23.43 H new ATOM 1134 N GLU A 71 15.022 -7.443 0.259 1.00 71.41 N ATOM 1135 CA GLU A 71 15.950 -7.490 1.391 1.00 3.33 C ATOM 1136 C GLU A 71 15.738 -6.391 2.444 1.00 13.31 C ATOM 1137 O GLU A 71 16.656 -6.083 3.214 1.00 4.10 O ATOM 1138 CB GLU A 71 17.402 -7.528 0.867 1.00 22.10 C ATOM 1139 CG GLU A 71 17.600 -8.620 -0.190 1.00 33.13 C ATOM 1140 CD GLU A 71 19.024 -8.645 -0.723 1.00 52.25 C ATOM 1141 OE1 GLU A 71 19.293 -7.975 -1.748 1.00 72.41 O ATOM 1142 OE2 GLU A 71 19.846 -9.409 -0.171 1.00 21.03 O ATOM 0 H GLU A 71 14.458 -8.289 0.184 1.00 71.41 H new ATOM 0 HA GLU A 71 15.735 -8.410 1.935 1.00 3.33 H new ATOM 0 HB2 GLU A 71 17.659 -6.559 0.440 1.00 22.10 H new ATOM 0 HB3 GLU A 71 18.084 -7.701 1.700 1.00 22.10 H new ATOM 0 HG2 GLU A 71 17.357 -9.591 0.242 1.00 33.13 H new ATOM 0 HG3 GLU A 71 16.907 -8.456 -1.015 1.00 33.13 H new ATOM 1149 N LYS A 72 14.534 -5.820 2.533 1.00 73.31 N ATOM 1150 CA LYS A 72 14.181 -4.772 3.483 1.00 35.44 C ATOM 1151 C LYS A 72 12.867 -5.136 4.144 1.00 62.11 C ATOM 1152 O LYS A 72 11.909 -5.464 3.447 1.00 11.12 O ATOM 1153 CB LYS A 72 13.989 -3.440 2.742 1.00 25.35 C ATOM 1154 CG LYS A 72 15.269 -2.873 2.119 1.00 22.42 C ATOM 1155 CD LYS A 72 16.201 -2.226 3.142 1.00 43.45 C ATOM 1156 CE LYS A 72 15.630 -0.866 3.546 1.00 60.12 C ATOM 1157 NZ LYS A 72 16.393 -0.257 4.644 1.00 41.21 N ATOM 0 H LYS A 72 13.758 -6.085 1.926 1.00 73.31 H new ATOM 0 HA LYS A 72 14.976 -4.674 4.222 1.00 35.44 H new ATOM 0 HB2 LYS A 72 13.247 -3.579 1.956 1.00 25.35 H new ATOM 0 HB3 LYS A 72 13.582 -2.706 3.438 1.00 25.35 H new ATOM 0 HG2 LYS A 72 15.802 -3.674 1.607 1.00 22.42 H new ATOM 0 HG3 LYS A 72 15.001 -2.135 1.363 1.00 22.42 H new ATOM 0 HD2 LYS A 72 16.302 -2.867 4.018 1.00 43.45 H new ATOM 0 HD3 LYS A 72 17.198 -2.105 2.719 1.00 43.45 H new ATOM 0 HE2 LYS A 72 15.638 -0.198 2.684 1.00 60.12 H new ATOM 0 HE3 LYS A 72 14.590 -0.984 3.849 1.00 60.12 H new ATOM 0 HZ1 LYS A 72 15.975 0.663 4.889 1.00 41.21 H new ATOM 0 HZ2 LYS A 72 16.365 -0.882 5.475 1.00 41.21 H new ATOM 0 HZ3 LYS A 72 17.380 -0.121 4.347 1.00 41.21 H new ATOM 1171 N LYS A 73 12.807 -5.157 5.476 1.00 75.55 N ATOM 1172 CA LYS A 73 11.548 -5.458 6.142 1.00 72.14 C ATOM 1173 C LYS A 73 10.785 -4.153 6.093 1.00 24.03 C ATOM 1174 O LYS A 73 11.248 -3.171 6.678 1.00 35.32 O ATOM 1175 CB LYS A 73 11.733 -5.925 7.591 1.00 62.13 C ATOM 1176 CG LYS A 73 10.377 -6.418 8.118 1.00 11.44 C ATOM 1177 CD LYS A 73 10.463 -7.637 9.042 1.00 1.51 C ATOM 1178 CE LYS A 73 10.863 -7.274 10.462 1.00 20.30 C ATOM 1179 NZ LYS A 73 12.300 -6.975 10.637 1.00 51.41 N ATOM 0 H LYS A 73 13.595 -4.974 6.098 1.00 75.55 H new ATOM 0 HA LYS A 73 11.030 -6.282 5.652 1.00 72.14 H new ATOM 0 HB2 LYS A 73 12.472 -6.724 7.640 1.00 62.13 H new ATOM 0 HB3 LYS A 73 12.105 -5.108 8.208 1.00 62.13 H new ATOM 0 HG2 LYS A 73 9.892 -5.603 8.655 1.00 11.44 H new ATOM 0 HG3 LYS A 73 9.739 -6.665 7.269 1.00 11.44 H new ATOM 0 HD2 LYS A 73 9.497 -8.142 9.060 1.00 1.51 H new ATOM 0 HD3 LYS A 73 11.186 -8.345 8.636 1.00 1.51 H new ATOM 0 HE2 LYS A 73 10.283 -6.407 10.779 1.00 20.30 H new ATOM 0 HE3 LYS A 73 10.593 -8.097 11.124 1.00 20.30 H new ATOM 0 HZ1 LYS A 73 12.519 -6.905 11.651 1.00 51.41 H new ATOM 0 HZ2 LYS A 73 12.867 -7.736 10.212 1.00 51.41 H new ATOM 0 HZ3 LYS A 73 12.526 -6.073 10.171 1.00 51.41 H new ATOM 1193 N ILE A 74 9.679 -4.098 5.374 1.00 44.43 N ATOM 1194 CA ILE A 74 8.885 -2.882 5.264 1.00 55.10 C ATOM 1195 C ILE A 74 7.753 -2.900 6.298 1.00 5.34 C ATOM 1196 O ILE A 74 7.521 -3.916 6.960 1.00 65.04 O ATOM 1197 CB ILE A 74 8.468 -2.645 3.800 1.00 51.15 C ATOM 1198 CG1 ILE A 74 7.510 -3.729 3.269 1.00 22.12 C ATOM 1199 CG2 ILE A 74 9.737 -2.517 2.928 1.00 63.03 C ATOM 1200 CD1 ILE A 74 7.024 -3.450 1.844 1.00 5.30 C ATOM 0 H ILE A 74 9.305 -4.890 4.851 1.00 44.43 H new ATOM 0 HA ILE A 74 9.475 -2.001 5.519 1.00 55.10 H new ATOM 0 HB ILE A 74 7.903 -1.714 3.750 1.00 51.15 H new ATOM 0 HG12 ILE A 74 8.014 -4.695 3.293 1.00 22.12 H new ATOM 0 HG13 ILE A 74 6.649 -3.802 3.933 1.00 22.12 H new ATOM 0 HG21 ILE A 74 9.450 -2.349 1.890 1.00 63.03 H new ATOM 0 HG22 ILE A 74 10.337 -1.677 3.279 1.00 63.03 H new ATOM 0 HG23 ILE A 74 10.321 -3.434 2.999 1.00 63.03 H new ATOM 0 HD11 ILE A 74 6.353 -4.248 1.526 1.00 5.30 H new ATOM 0 HD12 ILE A 74 6.493 -2.498 1.820 1.00 5.30 H new ATOM 0 HD13 ILE A 74 7.880 -3.405 1.170 1.00 5.30 H new ATOM 1212 N ASN A 75 7.077 -1.767 6.472 1.00 34.11 N ATOM 1213 CA ASN A 75 5.975 -1.583 7.419 1.00 61.43 C ATOM 1214 C ASN A 75 4.722 -1.115 6.705 1.00 72.34 C ATOM 1215 O ASN A 75 4.838 -0.534 5.629 1.00 54.45 O ATOM 1216 CB ASN A 75 6.350 -0.542 8.488 1.00 42.43 C ATOM 1217 CG ASN A 75 6.713 0.836 7.944 1.00 23.34 C ATOM 1218 OD1 ASN A 75 7.885 1.185 7.831 1.00 12.25 O ATOM 1219 ND2 ASN A 75 5.747 1.651 7.551 1.00 62.44 N ATOM 0 H ASN A 75 7.287 -0.922 5.941 1.00 34.11 H new ATOM 0 HA ASN A 75 5.785 -2.546 7.893 1.00 61.43 H new ATOM 0 HB2 ASN A 75 5.514 -0.435 9.179 1.00 42.43 H new ATOM 0 HB3 ASN A 75 7.193 -0.922 9.065 1.00 42.43 H new ATOM 0 HD21 ASN A 75 5.978 2.563 7.157 1.00 62.44 H new ATOM 0 HD22 ASN A 75 4.772 1.367 7.642 1.00 62.44 H new ATOM 1226 N VAL A 76 3.554 -1.320 7.321 1.00 0.22 N ATOM 1227 CA VAL A 76 2.246 -0.931 6.823 1.00 72.23 C ATOM 1228 C VAL A 76 1.388 -0.461 8.003 1.00 43.33 C ATOM 1229 O VAL A 76 1.251 -1.188 8.989 1.00 45.20 O ATOM 1230 CB VAL A 76 1.557 -2.090 6.081 1.00 71.55 C ATOM 1231 CG1 VAL A 76 0.154 -1.666 5.643 1.00 21.41 C ATOM 1232 CG2 VAL A 76 2.335 -2.538 4.844 1.00 12.54 C ATOM 0 H VAL A 76 3.501 -1.786 8.227 1.00 0.22 H new ATOM 0 HA VAL A 76 2.368 -0.119 6.106 1.00 72.23 H new ATOM 0 HB VAL A 76 1.512 -2.927 6.778 1.00 71.55 H new ATOM 0 HG11 VAL A 76 -0.328 -2.491 5.118 1.00 21.41 H new ATOM 0 HG12 VAL A 76 -0.436 -1.399 6.520 1.00 21.41 H new ATOM 0 HG13 VAL A 76 0.225 -0.805 4.978 1.00 21.41 H new ATOM 0 HG21 VAL A 76 1.805 -3.357 4.358 1.00 12.54 H new ATOM 0 HG22 VAL A 76 2.427 -1.703 4.150 1.00 12.54 H new ATOM 0 HG23 VAL A 76 3.329 -2.874 5.141 1.00 12.54 H new ATOM 1242 N GLU A 77 0.822 0.743 7.911 1.00 4.42 N ATOM 1243 CA GLU A 77 -0.047 1.351 8.917 1.00 23.14 C ATOM 1244 C GLU A 77 -1.205 2.055 8.188 1.00 24.41 C ATOM 1245 O GLU A 77 -1.221 2.114 6.955 1.00 44.34 O ATOM 1246 CB GLU A 77 0.714 2.331 9.852 1.00 52.33 C ATOM 1247 CG GLU A 77 2.152 1.926 10.218 1.00 63.13 C ATOM 1248 CD GLU A 77 2.791 2.800 11.312 1.00 73.11 C ATOM 1249 OE1 GLU A 77 2.878 4.033 11.128 1.00 24.11 O ATOM 1250 OE2 GLU A 77 3.348 2.246 12.301 1.00 74.32 O ATOM 0 H GLU A 77 0.963 1.345 7.100 1.00 4.42 H new ATOM 0 HA GLU A 77 -0.433 0.568 9.569 1.00 23.14 H new ATOM 0 HB2 GLU A 77 0.743 3.310 9.375 1.00 52.33 H new ATOM 0 HB3 GLU A 77 0.142 2.442 10.773 1.00 52.33 H new ATOM 0 HG2 GLU A 77 2.152 0.888 10.551 1.00 63.13 H new ATOM 0 HG3 GLU A 77 2.771 1.974 9.322 1.00 63.13 H new ATOM 1257 N LEU A 78 -2.187 2.587 8.917 1.00 33.22 N ATOM 1258 CA LEU A 78 -3.333 3.274 8.340 1.00 74.30 C ATOM 1259 C LEU A 78 -3.084 4.781 8.314 1.00 2.11 C ATOM 1260 O LEU A 78 -2.369 5.319 9.160 1.00 10.12 O ATOM 1261 CB LEU A 78 -4.581 3.000 9.203 1.00 2.12 C ATOM 1262 CG LEU A 78 -5.324 1.666 9.006 1.00 62.41 C ATOM 1263 CD1 LEU A 78 -5.770 1.431 7.558 1.00 53.32 C ATOM 1264 CD2 LEU A 78 -4.527 0.461 9.508 1.00 74.51 C ATOM 0 H LEU A 78 -2.205 2.550 9.936 1.00 33.22 H new ATOM 0 HA LEU A 78 -3.486 2.910 7.324 1.00 74.30 H new ATOM 0 HB2 LEU A 78 -4.282 3.063 10.249 1.00 2.12 H new ATOM 0 HB3 LEU A 78 -5.292 3.807 9.025 1.00 2.12 H new ATOM 0 HG LEU A 78 -6.220 1.760 9.620 1.00 62.41 H new ATOM 0 HD11 LEU A 78 -6.287 0.474 7.487 1.00 53.32 H new ATOM 0 HD12 LEU A 78 -6.443 2.231 7.250 1.00 53.32 H new ATOM 0 HD13 LEU A 78 -4.897 1.421 6.906 1.00 53.32 H new ATOM 0 HD21 LEU A 78 -5.102 -0.450 9.342 1.00 74.51 H new ATOM 0 HD22 LEU A 78 -3.583 0.398 8.967 1.00 74.51 H new ATOM 0 HD23 LEU A 78 -4.327 0.575 10.573 1.00 74.51 H new ATOM 1276 N THR A 79 -3.700 5.471 7.355 1.00 14.41 N ATOM 1277 CA THR A 79 -3.614 6.917 7.194 1.00 23.43 C ATOM 1278 C THR A 79 -4.904 7.375 6.507 1.00 11.42 C ATOM 1279 O THR A 79 -5.304 6.783 5.505 1.00 0.31 O ATOM 1280 CB THR A 79 -2.303 7.288 6.461 1.00 33.54 C ATOM 1281 OG1 THR A 79 -1.888 8.620 6.711 1.00 53.20 O ATOM 1282 CG2 THR A 79 -2.221 7.069 4.960 1.00 63.02 C ATOM 0 H THR A 79 -4.288 5.025 6.651 1.00 14.41 H new ATOM 0 HA THR A 79 -3.551 7.447 8.144 1.00 23.43 H new ATOM 0 HB THR A 79 -1.638 6.550 6.910 1.00 33.54 H new ATOM 0 HG1 THR A 79 -1.056 8.800 6.226 1.00 53.20 H new ATOM 0 HG21 THR A 79 -1.240 7.378 4.600 1.00 63.02 H new ATOM 0 HG22 THR A 79 -2.373 6.013 4.738 1.00 63.02 H new ATOM 0 HG23 THR A 79 -2.992 7.659 4.464 1.00 63.02 H new ATOM 1290 N VAL A 80 -5.556 8.421 7.023 1.00 54.35 N ATOM 1291 CA VAL A 80 -6.794 9.001 6.496 1.00 64.52 C ATOM 1292 C VAL A 80 -8.003 8.064 6.654 1.00 1.52 C ATOM 1293 O VAL A 80 -8.109 7.025 6.003 1.00 62.42 O ATOM 1294 CB VAL A 80 -6.613 9.486 5.037 1.00 1.54 C ATOM 1295 CG1 VAL A 80 -7.723 10.473 4.655 1.00 43.21 C ATOM 1296 CG2 VAL A 80 -5.259 10.180 4.802 1.00 75.02 C ATOM 0 H VAL A 80 -5.221 8.907 7.855 1.00 54.35 H new ATOM 0 HA VAL A 80 -7.017 9.878 7.104 1.00 64.52 H new ATOM 0 HB VAL A 80 -6.658 8.591 4.417 1.00 1.54 H new ATOM 0 HG11 VAL A 80 -7.579 10.803 3.626 1.00 43.21 H new ATOM 0 HG12 VAL A 80 -8.693 9.983 4.747 1.00 43.21 H new ATOM 0 HG13 VAL A 80 -7.688 11.335 5.321 1.00 43.21 H new ATOM 0 HG21 VAL A 80 -5.189 10.498 3.762 1.00 75.02 H new ATOM 0 HG22 VAL A 80 -5.178 11.050 5.454 1.00 75.02 H new ATOM 0 HG23 VAL A 80 -4.450 9.484 5.024 1.00 75.02 H new ATOM 1306 N GLY A 81 -8.959 8.460 7.497 1.00 41.02 N ATOM 1307 CA GLY A 81 -10.187 7.716 7.766 1.00 22.10 C ATOM 1308 C GLY A 81 -10.190 7.003 9.113 1.00 3.21 C ATOM 1309 O GLY A 81 -11.118 6.255 9.421 1.00 51.23 O ATOM 0 H GLY A 81 -8.897 9.331 8.025 1.00 41.02 H new ATOM 0 HA2 GLY A 81 -11.033 8.402 7.727 1.00 22.10 H new ATOM 0 HA3 GLY A 81 -10.336 6.981 6.975 1.00 22.10 H new ATOM 1313 N GLY A 82 -9.175 7.229 9.935 1.00 1.14 N ATOM 1314 CA GLY A 82 -8.972 6.681 11.263 1.00 41.20 C ATOM 1315 C GLY A 82 -7.650 7.247 11.703 1.00 1.52 C ATOM 1316 O GLY A 82 -7.494 8.487 11.684 1.00 13.31 O ATOM 0 H GLY A 82 -8.413 7.851 9.666 1.00 1.14 H new ATOM 0 HA2 GLY A 82 -9.775 6.973 11.940 1.00 41.20 H new ATOM 0 HA3 GLY A 82 -8.951 5.591 11.244 1.00 41.20 H new TER 1320 GLY A 82