USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 Single : A 3 SER OG : rot 33:sc= 0.0158 USER MOD Single : A 5 THR OG1 : rot -97:sc= 0.536 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0198 USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 144:sc= -1.36 (180deg=-3.5!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -118:sc= 1.08 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= -0.111 (180deg=-3.86!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 43 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.3) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc=-0.00982 (180deg=-0.112) USER MOD Single : A 46 GLN : amide:sc= -0.537 K(o=-0.54,f=-4.7!) USER MOD Single : A 49 THR OG1 : rot -160:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -10.488 5.549 -4.699 1.00 71.42 N ATOM 31 CA SER A 3 -9.991 5.451 -6.082 1.00 52.41 C ATOM 32 C SER A 3 -8.952 4.326 -6.207 1.00 23.40 C ATOM 33 O SER A 3 -8.141 4.129 -5.305 1.00 13.13 O ATOM 34 CB SER A 3 -9.368 6.782 -6.540 1.00 71.41 C ATOM 35 OG SER A 3 -10.335 7.825 -6.568 1.00 23.30 O ATOM 0 HA SER A 3 -10.842 5.223 -6.723 1.00 52.41 H new ATOM 0 HB2 SER A 3 -8.555 7.055 -5.867 1.00 71.41 H new ATOM 0 HB3 SER A 3 -8.933 6.660 -7.532 1.00 71.41 H new ATOM 0 HG SER A 3 -10.995 7.678 -5.859 1.00 23.30 H new ATOM 41 N PRO A 4 -8.959 3.579 -7.333 1.00 12.42 N ATOM 42 CA PRO A 4 -8.042 2.436 -7.536 1.00 2.40 C ATOM 43 C PRO A 4 -6.557 2.850 -7.569 1.00 65.51 C ATOM 44 O PRO A 4 -6.120 3.591 -8.453 1.00 25.00 O ATOM 45 CB PRO A 4 -8.481 1.864 -8.896 1.00 13.13 C ATOM 46 CG PRO A 4 -9.173 2.992 -9.583 1.00 71.43 C ATOM 47 CD PRO A 4 -9.847 3.782 -8.495 1.00 71.04 C ATOM 0 HA PRO A 4 -8.104 1.721 -6.716 1.00 2.40 H new ATOM 0 HB2 PRO A 4 -7.624 1.516 -9.473 1.00 13.13 H new ATOM 0 HB3 PRO A 4 -9.147 1.011 -8.769 1.00 13.13 H new ATOM 0 HG2 PRO A 4 -8.463 3.610 -10.132 1.00 71.43 H new ATOM 0 HG3 PRO A 4 -9.900 2.623 -10.306 1.00 71.43 H new ATOM 0 HD2 PRO A 4 -9.933 4.837 -8.757 1.00 71.04 H new ATOM 0 HD3 PRO A 4 -10.856 3.419 -8.299 1.00 71.04 H new ATOM 55 N THR A 5 -5.783 2.359 -6.603 1.00 70.12 N ATOM 56 CA THR A 5 -4.354 2.696 -6.494 1.00 4.12 C ATOM 57 C THR A 5 -3.497 1.436 -6.296 1.00 22.45 C ATOM 58 O THR A 5 -3.826 0.574 -5.486 1.00 25.30 O ATOM 59 CB THR A 5 -4.099 3.679 -5.320 1.00 62.14 C ATOM 60 OG1 THR A 5 -4.804 4.910 -5.550 1.00 74.14 O ATOM 61 CG2 THR A 5 -2.611 3.968 -5.144 1.00 51.23 C ATOM 0 H THR A 5 -6.118 1.723 -5.879 1.00 70.12 H new ATOM 0 HA THR A 5 -4.067 3.176 -7.430 1.00 4.12 H new ATOM 0 HB THR A 5 -4.464 3.209 -4.407 1.00 62.14 H new ATOM 0 HG1 THR A 5 -4.195 5.566 -5.948 1.00 74.14 H new ATOM 0 HG21 THR A 5 -2.470 4.660 -4.313 1.00 51.23 H new ATOM 0 HG22 THR A 5 -2.082 3.038 -4.935 1.00 51.23 H new ATOM 0 HG23 THR A 5 -2.216 4.413 -6.057 1.00 51.23 H new ATOM 69 N VAL A 6 -2.395 1.338 -7.041 1.00 62.22 N ATOM 70 CA VAL A 6 -1.503 0.172 -6.967 1.00 60.12 C ATOM 71 C VAL A 6 -0.158 0.525 -6.301 1.00 3.20 C ATOM 72 O VAL A 6 0.538 1.459 -6.709 1.00 62.30 O ATOM 73 CB VAL A 6 -1.249 -0.437 -8.375 1.00 63.25 C ATOM 74 CG1 VAL A 6 -0.642 0.595 -9.325 1.00 31.43 C ATOM 75 CG2 VAL A 6 -0.364 -1.679 -8.281 1.00 44.41 C ATOM 0 H VAL A 6 -2.095 2.052 -7.705 1.00 62.22 H new ATOM 0 HA VAL A 6 -2.008 -0.571 -6.350 1.00 60.12 H new ATOM 0 HB VAL A 6 -2.213 -0.738 -8.785 1.00 63.25 H new ATOM 0 HG11 VAL A 6 -0.476 0.138 -10.301 1.00 31.43 H new ATOM 0 HG12 VAL A 6 -1.324 1.438 -9.430 1.00 31.43 H new ATOM 0 HG13 VAL A 6 0.308 0.945 -8.922 1.00 31.43 H new ATOM 0 HG21 VAL A 6 -0.201 -2.086 -9.279 1.00 44.41 H new ATOM 0 HG22 VAL A 6 0.595 -1.410 -7.838 1.00 44.41 H new ATOM 0 HG23 VAL A 6 -0.853 -2.428 -7.659 1.00 44.41 H new ATOM 85 N ILE A 7 0.200 -0.225 -5.263 1.00 55.41 N ATOM 86 CA ILE A 7 1.457 0.000 -4.540 1.00 21.42 C ATOM 87 C ILE A 7 2.559 -0.967 -5.005 1.00 55.24 C ATOM 88 O ILE A 7 2.436 -2.185 -4.852 1.00 73.41 O ATOM 89 CB ILE A 7 1.257 -0.157 -3.010 1.00 41.03 C ATOM 90 CG1 ILE A 7 0.169 0.810 -2.512 1.00 52.11 C ATOM 91 CG2 ILE A 7 2.571 0.079 -2.264 1.00 24.04 C ATOM 92 CD1 ILE A 7 -0.123 0.700 -1.026 1.00 72.21 C ATOM 0 H ILE A 7 -0.360 -0.996 -4.900 1.00 55.41 H new ATOM 0 HA ILE A 7 1.768 1.021 -4.761 1.00 21.42 H new ATOM 0 HB ILE A 7 0.933 -1.178 -2.808 1.00 41.03 H new ATOM 0 HG12 ILE A 7 0.475 1.832 -2.737 1.00 52.11 H new ATOM 0 HG13 ILE A 7 -0.750 0.623 -3.067 1.00 52.11 H new ATOM 0 HG21 ILE A 7 2.407 -0.036 -1.193 1.00 24.04 H new ATOM 0 HG22 ILE A 7 3.314 -0.646 -2.597 1.00 24.04 H new ATOM 0 HG23 ILE A 7 2.930 1.087 -2.470 1.00 24.04 H new ATOM 0 HD11 ILE A 7 -0.900 1.414 -0.754 1.00 72.21 H new ATOM 0 HD12 ILE A 7 -0.461 -0.310 -0.795 1.00 72.21 H new ATOM 0 HD13 ILE A 7 0.783 0.917 -0.460 1.00 72.21 H new ATOM 104 N THR A 8 3.628 -0.416 -5.573 1.00 24.45 N ATOM 105 CA THR A 8 4.788 -1.213 -5.990 1.00 40.31 C ATOM 106 C THR A 8 5.796 -1.348 -4.840 1.00 33.10 C ATOM 107 O THR A 8 6.252 -0.348 -4.285 1.00 33.45 O ATOM 108 CB THR A 8 5.503 -0.584 -7.215 1.00 53.41 C ATOM 109 OG1 THR A 8 4.588 -0.448 -8.315 1.00 22.31 O ATOM 110 CG2 THR A 8 6.697 -1.429 -7.656 1.00 21.00 C ATOM 0 H THR A 8 3.719 0.583 -5.758 1.00 24.45 H new ATOM 0 HA THR A 8 4.413 -2.198 -6.269 1.00 40.31 H new ATOM 0 HB THR A 8 5.863 0.400 -6.914 1.00 53.41 H new ATOM 0 HG1 THR A 8 5.053 -0.049 -9.080 1.00 22.31 H new ATOM 0 HG21 THR A 8 7.176 -0.961 -8.516 1.00 21.00 H new ATOM 0 HG22 THR A 8 7.413 -1.502 -6.837 1.00 21.00 H new ATOM 0 HG23 THR A 8 6.355 -2.427 -7.930 1.00 21.00 H new ATOM 118 N LEU A 9 6.139 -2.585 -4.482 1.00 64.34 N ATOM 119 CA LEU A 9 7.057 -2.846 -3.364 1.00 25.31 C ATOM 120 C LEU A 9 8.522 -2.956 -3.825 1.00 34.11 C ATOM 121 O LEU A 9 8.805 -3.111 -5.012 1.00 51.14 O ATOM 122 CB LEU A 9 6.640 -4.131 -2.635 1.00 71.04 C ATOM 123 CG LEU A 9 5.173 -4.170 -2.176 1.00 51.31 C ATOM 124 CD1 LEU A 9 4.854 -5.507 -1.514 1.00 51.32 C ATOM 125 CD2 LEU A 9 4.868 -3.001 -1.235 1.00 22.34 C ATOM 0 H LEU A 9 5.797 -3.425 -4.948 1.00 64.34 H new ATOM 0 HA LEU A 9 6.993 -1.997 -2.684 1.00 25.31 H new ATOM 0 HB2 LEU A 9 6.822 -4.980 -3.294 1.00 71.04 H new ATOM 0 HB3 LEU A 9 7.281 -4.261 -1.763 1.00 71.04 H new ATOM 0 HG LEU A 9 4.534 -4.067 -3.053 1.00 51.31 H new ATOM 0 HD11 LEU A 9 3.812 -5.516 -1.196 1.00 51.32 H new ATOM 0 HD12 LEU A 9 5.023 -6.315 -2.226 1.00 51.32 H new ATOM 0 HD13 LEU A 9 5.499 -5.647 -0.647 1.00 51.32 H new ATOM 0 HD21 LEU A 9 3.825 -3.048 -0.923 1.00 22.34 H new ATOM 0 HD22 LEU A 9 5.513 -3.062 -0.358 1.00 22.34 H new ATOM 0 HD23 LEU A 9 5.049 -2.060 -1.754 1.00 22.34 H new ATOM 137 N ASN A 10 9.442 -2.875 -2.862 1.00 53.15 N ATOM 138 CA ASN A 10 10.886 -2.973 -3.114 1.00 32.24 C ATOM 139 C ASN A 10 11.237 -4.266 -3.874 1.00 71.41 C ATOM 140 O ASN A 10 12.147 -4.291 -4.699 1.00 73.44 O ATOM 141 CB ASN A 10 11.632 -2.933 -1.770 1.00 52.22 C ATOM 142 CG ASN A 10 13.146 -2.952 -1.913 1.00 43.52 C ATOM 143 OD1 ASN A 10 13.667 -2.276 -2.916 1.00 43.32 O flip ATOM 144 ND2 ASN A 10 13.846 -3.551 -1.107 1.00 53.43 N flip ATOM 0 H ASN A 10 9.208 -2.739 -1.879 1.00 53.15 H new ATOM 0 HA ASN A 10 11.190 -2.131 -3.736 1.00 32.24 H new ATOM 0 HB2 ASN A 10 11.338 -2.035 -1.227 1.00 52.22 H new ATOM 0 HB3 ASN A 10 11.322 -3.786 -1.166 1.00 52.22 H new ATOM 0 HD21 ASN A 10 13.414 -4.066 -0.340 1.00 53.43 H new ATOM 0 HD22 ASN A 10 14.861 -3.535 -1.202 1.00 53.43 H new ATOM 151 N ASP A 11 10.490 -5.327 -3.588 1.00 64.20 N ATOM 152 CA ASP A 11 10.695 -6.634 -4.223 1.00 3.11 C ATOM 153 C ASP A 11 10.215 -6.643 -5.692 1.00 65.24 C ATOM 154 O ASP A 11 10.515 -7.567 -6.454 1.00 10.42 O ATOM 155 CB ASP A 11 9.949 -7.696 -3.400 1.00 63.24 C ATOM 156 CG ASP A 11 10.122 -9.106 -3.938 1.00 3.11 C ATOM 157 OD1 ASP A 11 11.266 -9.593 -3.980 1.00 31.41 O ATOM 158 OD2 ASP A 11 9.107 -9.741 -4.294 1.00 50.23 O ATOM 0 H ASP A 11 9.726 -5.311 -2.912 1.00 64.20 H new ATOM 0 HA ASP A 11 11.762 -6.855 -4.243 1.00 3.11 H new ATOM 0 HB2 ASP A 11 10.303 -7.662 -2.370 1.00 63.24 H new ATOM 0 HB3 ASP A 11 8.887 -7.450 -3.380 1.00 63.24 H new ATOM 163 N GLY A 12 9.475 -5.606 -6.084 1.00 25.25 N ATOM 164 CA GLY A 12 8.907 -5.540 -7.429 1.00 53.42 C ATOM 165 C GLY A 12 7.425 -5.901 -7.460 1.00 61.15 C ATOM 166 O GLY A 12 6.694 -5.488 -8.361 1.00 55.31 O ATOM 0 H GLY A 12 9.256 -4.804 -5.492 1.00 25.25 H new ATOM 0 HA2 GLY A 12 9.040 -4.534 -7.826 1.00 53.42 H new ATOM 0 HA3 GLY A 12 9.455 -6.217 -8.084 1.00 53.42 H new ATOM 170 N ARG A 13 6.987 -6.681 -6.472 1.00 40.55 N ATOM 171 CA ARG A 13 5.584 -7.099 -6.360 1.00 21.43 C ATOM 172 C ARG A 13 4.644 -5.897 -6.148 1.00 5.31 C ATOM 173 O ARG A 13 4.931 -5.004 -5.350 1.00 52.45 O ATOM 174 CB ARG A 13 5.433 -8.094 -5.199 1.00 3.55 C ATOM 175 CG ARG A 13 4.007 -8.599 -4.997 1.00 72.43 C ATOM 176 CD ARG A 13 3.915 -9.620 -3.864 1.00 12.22 C ATOM 177 NE ARG A 13 2.543 -10.070 -3.645 1.00 73.30 N ATOM 178 CZ ARG A 13 2.199 -10.991 -2.790 1.00 5.41 C ATOM 179 NH1 ARG A 13 3.088 -11.594 -2.068 1.00 53.33 N ATOM 180 NH2 ARG A 13 0.956 -11.308 -2.657 1.00 4.23 N ATOM 0 H ARG A 13 7.588 -7.040 -5.730 1.00 40.55 H new ATOM 0 HA ARG A 13 5.300 -7.578 -7.297 1.00 21.43 H new ATOM 0 HB2 ARG A 13 6.088 -8.947 -5.377 1.00 3.55 H new ATOM 0 HB3 ARG A 13 5.773 -7.618 -4.279 1.00 3.55 H new ATOM 0 HG2 ARG A 13 3.352 -7.756 -4.779 1.00 72.43 H new ATOM 0 HG3 ARG A 13 3.648 -9.051 -5.922 1.00 72.43 H new ATOM 0 HD2 ARG A 13 4.545 -10.478 -4.097 1.00 12.22 H new ATOM 0 HD3 ARG A 13 4.303 -9.179 -2.946 1.00 12.22 H new ATOM 0 HE ARG A 13 1.805 -9.634 -4.198 1.00 73.30 H new ATOM 0 HH11 ARG A 13 4.074 -11.350 -2.164 1.00 53.33 H new ATOM 0 HH12 ARG A 13 2.803 -12.313 -1.403 1.00 53.33 H new ATOM 0 HH21 ARG A 13 0.247 -10.838 -3.220 1.00 4.23 H new ATOM 0 HH22 ARG A 13 0.682 -12.028 -1.989 1.00 4.23 H new ATOM 194 N GLU A 14 3.525 -5.885 -6.866 1.00 53.44 N ATOM 195 CA GLU A 14 2.541 -4.799 -6.761 1.00 61.41 C ATOM 196 C GLU A 14 1.243 -5.276 -6.091 1.00 73.50 C ATOM 197 O GLU A 14 0.860 -6.439 -6.221 1.00 42.23 O ATOM 198 CB GLU A 14 2.223 -4.248 -8.156 1.00 73.24 C ATOM 199 CG GLU A 14 3.432 -3.686 -8.893 1.00 23.12 C ATOM 200 CD GLU A 14 3.086 -3.198 -10.288 1.00 41.11 C ATOM 201 OE1 GLU A 14 3.140 -4.007 -11.239 1.00 23.03 O ATOM 202 OE2 GLU A 14 2.753 -2.007 -10.444 1.00 72.14 O ATOM 0 H GLU A 14 3.271 -6.616 -7.531 1.00 53.44 H new ATOM 0 HA GLU A 14 2.976 -4.015 -6.141 1.00 61.41 H new ATOM 0 HB2 GLU A 14 1.782 -5.043 -8.757 1.00 73.24 H new ATOM 0 HB3 GLU A 14 1.471 -3.464 -8.063 1.00 73.24 H new ATOM 0 HG2 GLU A 14 3.854 -2.862 -8.317 1.00 23.12 H new ATOM 0 HG3 GLU A 14 4.202 -4.455 -8.961 1.00 23.12 H new ATOM 209 N ILE A 15 0.576 -4.375 -5.374 1.00 61.23 N ATOM 210 CA ILE A 15 -0.713 -4.682 -4.733 1.00 45.33 C ATOM 211 C ILE A 15 -1.783 -3.653 -5.135 1.00 51.11 C ATOM 212 O ILE A 15 -1.567 -2.447 -5.018 1.00 4.30 O ATOM 213 CB ILE A 15 -0.585 -4.710 -3.185 1.00 32.03 C ATOM 214 CG1 ILE A 15 0.478 -5.737 -2.749 1.00 31.31 C ATOM 215 CG2 ILE A 15 -1.934 -5.027 -2.538 1.00 51.42 C ATOM 216 CD1 ILE A 15 0.700 -5.796 -1.249 1.00 53.12 C ATOM 0 H ILE A 15 0.903 -3.421 -5.218 1.00 61.23 H new ATOM 0 HA ILE A 15 -1.015 -5.671 -5.078 1.00 45.33 H new ATOM 0 HB ILE A 15 -0.268 -3.722 -2.850 1.00 32.03 H new ATOM 0 HG12 ILE A 15 0.180 -6.725 -3.101 1.00 31.31 H new ATOM 0 HG13 ILE A 15 1.423 -5.496 -3.237 1.00 31.31 H new ATOM 0 HG21 ILE A 15 -1.823 -5.042 -1.454 1.00 51.42 H new ATOM 0 HG22 ILE A 15 -2.660 -4.264 -2.818 1.00 51.42 H new ATOM 0 HG23 ILE A 15 -2.282 -6.002 -2.881 1.00 51.42 H new ATOM 0 HD11 ILE A 15 1.462 -6.542 -1.023 1.00 53.12 H new ATOM 0 HD12 ILE A 15 1.030 -4.821 -0.891 1.00 53.12 H new ATOM 0 HD13 ILE A 15 -0.232 -6.068 -0.754 1.00 53.12 H new ATOM 228 N GLN A 16 -2.934 -4.132 -5.614 1.00 24.45 N ATOM 229 CA GLN A 16 -4.020 -3.245 -6.058 1.00 52.04 C ATOM 230 C GLN A 16 -5.034 -2.966 -4.932 1.00 35.31 C ATOM 231 O GLN A 16 -5.617 -3.890 -4.355 1.00 71.30 O ATOM 232 CB GLN A 16 -4.740 -3.856 -7.270 1.00 64.03 C ATOM 233 CG GLN A 16 -3.820 -4.142 -8.457 1.00 41.21 C ATOM 234 CD GLN A 16 -4.556 -4.739 -9.645 1.00 11.43 C ATOM 235 OE1 GLN A 16 -4.697 -5.952 -9.766 1.00 34.00 O ATOM 236 NE2 GLN A 16 -5.029 -3.891 -10.536 1.00 54.22 N ATOM 0 H GLN A 16 -3.141 -5.127 -5.705 1.00 24.45 H new ATOM 0 HA GLN A 16 -3.569 -2.294 -6.341 1.00 52.04 H new ATOM 0 HB2 GLN A 16 -5.222 -4.785 -6.964 1.00 64.03 H new ATOM 0 HB3 GLN A 16 -5.531 -3.178 -7.591 1.00 64.03 H new ATOM 0 HG2 GLN A 16 -3.334 -3.216 -8.765 1.00 41.21 H new ATOM 0 HG3 GLN A 16 -3.032 -4.826 -8.143 1.00 41.21 H new ATOM 0 HE21 GLN A 16 -4.895 -2.888 -10.407 1.00 54.22 H new ATOM 0 HE22 GLN A 16 -5.529 -4.238 -11.355 1.00 54.22 H new ATOM 245 N ALA A 17 -5.245 -1.684 -4.637 1.00 53.13 N ATOM 246 CA ALA A 17 -6.208 -1.254 -3.615 1.00 3.10 C ATOM 247 C ALA A 17 -7.345 -0.412 -4.227 1.00 44.23 C ATOM 248 O ALA A 17 -7.186 0.182 -5.294 1.00 51.02 O ATOM 249 CB ALA A 17 -5.487 -0.461 -2.528 1.00 34.01 C ATOM 0 H ALA A 17 -4.757 -0.914 -5.096 1.00 53.13 H new ATOM 0 HA ALA A 17 -6.658 -2.145 -3.176 1.00 3.10 H new ATOM 0 HB1 ALA A 17 -6.205 -0.144 -1.772 1.00 34.01 H new ATOM 0 HB2 ALA A 17 -4.725 -1.088 -2.065 1.00 34.01 H new ATOM 0 HB3 ALA A 17 -5.015 0.416 -2.970 1.00 34.01 H new ATOM 255 N VAL A 18 -8.493 -0.366 -3.545 1.00 35.25 N ATOM 256 CA VAL A 18 -9.651 0.415 -4.016 1.00 3.34 C ATOM 257 C VAL A 18 -9.617 1.865 -3.501 1.00 4.45 C ATOM 258 O VAL A 18 -10.411 2.707 -3.930 1.00 63.20 O ATOM 259 CB VAL A 18 -10.994 -0.242 -3.601 1.00 4.32 C ATOM 260 CG1 VAL A 18 -11.164 -1.600 -4.272 1.00 5.11 C ATOM 261 CG2 VAL A 18 -11.093 -0.370 -2.083 1.00 63.33 C ATOM 0 H VAL A 18 -8.650 -0.858 -2.665 1.00 35.25 H new ATOM 0 HA VAL A 18 -9.583 0.428 -5.104 1.00 3.34 H new ATOM 0 HB VAL A 18 -11.803 0.406 -3.938 1.00 4.32 H new ATOM 0 HG11 VAL A 18 -12.113 -2.041 -3.966 1.00 5.11 H new ATOM 0 HG12 VAL A 18 -11.155 -1.475 -5.355 1.00 5.11 H new ATOM 0 HG13 VAL A 18 -10.346 -2.257 -3.976 1.00 5.11 H new ATOM 0 HG21 VAL A 18 -12.043 -0.833 -1.818 1.00 63.33 H new ATOM 0 HG22 VAL A 18 -10.273 -0.988 -1.716 1.00 63.33 H new ATOM 0 HG23 VAL A 18 -11.033 0.619 -1.630 1.00 63.33 H new ATOM 271 N ASP A 19 -8.700 2.145 -2.580 1.00 32.35 N ATOM 272 CA ASP A 19 -8.500 3.500 -2.057 1.00 45.22 C ATOM 273 C ASP A 19 -7.006 3.810 -1.854 1.00 50.12 C ATOM 274 O ASP A 19 -6.159 2.914 -1.888 1.00 45.31 O ATOM 275 CB ASP A 19 -9.291 3.703 -0.752 1.00 11.45 C ATOM 276 CG ASP A 19 -9.235 2.503 0.181 1.00 4.43 C ATOM 277 OD1 ASP A 19 -8.171 2.251 0.789 1.00 12.22 O ATOM 278 OD2 ASP A 19 -10.268 1.812 0.318 1.00 71.25 O ATOM 0 H ASP A 19 -8.076 1.447 -2.175 1.00 32.35 H new ATOM 0 HA ASP A 19 -8.881 4.203 -2.798 1.00 45.22 H new ATOM 0 HB2 ASP A 19 -8.900 4.577 -0.231 1.00 11.45 H new ATOM 0 HB3 ASP A 19 -10.332 3.916 -0.996 1.00 11.45 H new ATOM 283 N THR A 20 -6.692 5.089 -1.653 1.00 24.42 N ATOM 284 CA THR A 20 -5.300 5.540 -1.519 1.00 51.25 C ATOM 285 C THR A 20 -4.751 5.270 -0.110 1.00 40.33 C ATOM 286 O THR A 20 -5.459 5.440 0.889 1.00 73.24 O ATOM 287 CB THR A 20 -5.163 7.050 -1.836 1.00 65.15 C ATOM 288 OG1 THR A 20 -5.946 7.826 -0.912 1.00 41.13 O ATOM 289 CG2 THR A 20 -5.616 7.353 -3.262 1.00 14.31 C ATOM 0 H THR A 20 -7.382 5.836 -1.579 1.00 24.42 H new ATOM 0 HA THR A 20 -4.717 4.968 -2.241 1.00 51.25 H new ATOM 0 HB THR A 20 -4.111 7.318 -1.737 1.00 65.15 H new ATOM 0 HG1 THR A 20 -5.850 8.779 -1.121 1.00 41.13 H new ATOM 0 HG21 THR A 20 -5.510 8.420 -3.459 1.00 14.31 H new ATOM 0 HG22 THR A 20 -5.002 6.791 -3.966 1.00 14.31 H new ATOM 0 HG23 THR A 20 -6.660 7.065 -3.381 1.00 14.31 H new ATOM 297 N PRO A 21 -3.473 4.852 -0.008 1.00 3.24 N ATOM 298 CA PRO A 21 -2.867 4.457 1.276 1.00 24.24 C ATOM 299 C PRO A 21 -2.600 5.636 2.230 1.00 11.35 C ATOM 300 O PRO A 21 -2.335 6.761 1.801 1.00 1.20 O ATOM 301 CB PRO A 21 -1.548 3.797 0.851 1.00 23.11 C ATOM 302 CG PRO A 21 -1.202 4.450 -0.445 1.00 75.22 C ATOM 303 CD PRO A 21 -2.515 4.734 -1.129 1.00 11.42 C ATOM 0 HA PRO A 21 -3.534 3.809 1.844 1.00 24.24 H new ATOM 0 HB2 PRO A 21 -0.768 3.955 1.595 1.00 23.11 H new ATOM 0 HB3 PRO A 21 -1.663 2.719 0.734 1.00 23.11 H new ATOM 0 HG2 PRO A 21 -0.640 5.370 -0.281 1.00 75.22 H new ATOM 0 HG3 PRO A 21 -0.576 3.799 -1.056 1.00 75.22 H new ATOM 0 HD2 PRO A 21 -2.471 5.651 -1.717 1.00 11.42 H new ATOM 0 HD3 PRO A 21 -2.793 3.931 -1.811 1.00 11.42 H new ATOM 311 N LYS A 22 -2.685 5.359 3.532 1.00 74.51 N ATOM 312 CA LYS A 22 -2.365 6.344 4.575 1.00 20.10 C ATOM 313 C LYS A 22 -1.013 6.015 5.222 1.00 71.24 C ATOM 314 O LYS A 22 -0.743 4.858 5.543 1.00 32.11 O ATOM 315 CB LYS A 22 -3.456 6.339 5.654 1.00 12.23 C ATOM 316 CG LYS A 22 -3.320 7.453 6.689 1.00 24.51 C ATOM 317 CD LYS A 22 -4.256 7.257 7.888 1.00 11.24 C ATOM 318 CE LYS A 22 -5.740 7.237 7.504 1.00 23.05 C ATOM 319 NZ LYS A 22 -6.135 5.988 6.791 1.00 52.53 N ATOM 0 H LYS A 22 -2.976 4.451 3.895 1.00 74.51 H new ATOM 0 HA LYS A 22 -2.312 7.330 4.114 1.00 20.10 H new ATOM 0 HB2 LYS A 22 -4.429 6.425 5.171 1.00 12.23 H new ATOM 0 HB3 LYS A 22 -3.439 5.378 6.167 1.00 12.23 H new ATOM 0 HG2 LYS A 22 -2.289 7.495 7.040 1.00 24.51 H new ATOM 0 HG3 LYS A 22 -3.535 8.412 6.217 1.00 24.51 H new ATOM 0 HD2 LYS A 22 -4.005 6.321 8.387 1.00 11.24 H new ATOM 0 HD3 LYS A 22 -4.085 8.058 8.608 1.00 11.24 H new ATOM 0 HE2 LYS A 22 -6.345 7.343 8.404 1.00 23.05 H new ATOM 0 HE3 LYS A 22 -5.958 8.096 6.870 1.00 23.05 H new ATOM 0 HZ1 LYS A 22 -7.099 5.717 7.073 1.00 52.53 H new ATOM 0 HZ2 LYS A 22 -6.108 6.151 5.764 1.00 52.53 H new ATOM 0 HZ3 LYS A 22 -5.474 5.224 7.038 1.00 52.53 H new ATOM 333 N TYR A 23 -0.169 7.027 5.414 1.00 63.52 N ATOM 334 CA TYR A 23 1.146 6.819 6.032 1.00 34.34 C ATOM 335 C TYR A 23 1.073 6.896 7.565 1.00 54.22 C ATOM 336 O TYR A 23 0.662 7.911 8.132 1.00 75.12 O ATOM 337 CB TYR A 23 2.160 7.847 5.506 1.00 74.33 C ATOM 338 CG TYR A 23 3.574 7.631 6.034 1.00 45.25 C ATOM 339 CD1 TYR A 23 4.320 6.525 5.635 1.00 64.04 C ATOM 340 CD2 TYR A 23 4.161 8.524 6.928 1.00 23.43 C ATOM 341 CE1 TYR A 23 5.600 6.314 6.110 1.00 73.33 C ATOM 342 CE2 TYR A 23 5.444 8.317 7.404 1.00 55.03 C ATOM 343 CZ TYR A 23 6.157 7.211 6.992 1.00 21.33 C ATOM 344 OH TYR A 23 7.433 7.003 7.463 1.00 22.20 O ATOM 0 H TYR A 23 -0.367 7.993 5.154 1.00 63.52 H new ATOM 0 HA TYR A 23 1.476 5.817 5.759 1.00 34.34 H new ATOM 0 HB2 TYR A 23 2.177 7.805 4.417 1.00 74.33 H new ATOM 0 HB3 TYR A 23 1.827 8.848 5.781 1.00 74.33 H new ATOM 0 HD1 TYR A 23 3.890 5.818 4.941 1.00 64.04 H new ATOM 0 HD2 TYR A 23 3.606 9.391 7.255 1.00 23.43 H new ATOM 0 HE1 TYR A 23 6.161 5.448 5.790 1.00 73.33 H new ATOM 0 HE2 TYR A 23 5.885 9.019 8.096 1.00 55.03 H new ATOM 0 HH TYR A 23 7.678 7.728 8.075 1.00 22.20 H new ATOM 354 N ASP A 24 1.495 5.823 8.226 1.00 12.41 N ATOM 355 CA ASP A 24 1.514 5.755 9.687 1.00 54.53 C ATOM 356 C ASP A 24 2.918 6.066 10.234 1.00 20.42 C ATOM 357 O ASP A 24 3.839 5.265 10.093 1.00 32.50 O ATOM 358 CB ASP A 24 1.064 4.360 10.140 1.00 50.01 C ATOM 359 CG ASP A 24 1.248 4.139 11.627 1.00 12.22 C ATOM 360 OD1 ASP A 24 0.505 4.754 12.420 1.00 24.23 O ATOM 361 OD2 ASP A 24 2.139 3.350 12.011 1.00 70.01 O ATOM 0 H ASP A 24 1.833 4.977 7.768 1.00 12.41 H new ATOM 0 HA ASP A 24 0.827 6.504 10.081 1.00 54.53 H new ATOM 0 HB2 ASP A 24 0.014 4.221 9.884 1.00 50.01 H new ATOM 0 HB3 ASP A 24 1.628 3.605 9.592 1.00 50.01 H new ATOM 366 N GLU A 25 3.072 7.230 10.855 1.00 2.43 N ATOM 367 CA GLU A 25 4.371 7.653 11.400 1.00 14.42 C ATOM 368 C GLU A 25 4.630 7.040 12.792 1.00 71.43 C ATOM 369 O GLU A 25 5.758 7.057 13.289 1.00 33.21 O ATOM 370 CB GLU A 25 4.436 9.189 11.468 1.00 2.25 C ATOM 371 CG GLU A 25 5.828 9.743 11.769 1.00 41.45 C ATOM 372 CD GLU A 25 5.873 11.265 11.782 1.00 3.11 C ATOM 373 OE1 GLU A 25 6.014 11.872 10.698 1.00 15.22 O ATOM 374 OE2 GLU A 25 5.764 11.864 12.875 1.00 4.25 O ATOM 0 H GLU A 25 2.318 7.902 10.997 1.00 2.43 H new ATOM 0 HA GLU A 25 5.152 7.290 10.732 1.00 14.42 H new ATOM 0 HB2 GLU A 25 4.091 9.599 10.519 1.00 2.25 H new ATOM 0 HB3 GLU A 25 3.745 9.537 12.235 1.00 2.25 H new ATOM 0 HG2 GLU A 25 6.161 9.367 12.736 1.00 41.45 H new ATOM 0 HG3 GLU A 25 6.530 9.371 11.023 1.00 41.45 H new ATOM 381 N GLU A 26 3.582 6.493 13.414 1.00 44.05 N ATOM 382 CA GLU A 26 3.709 5.853 14.730 1.00 74.42 C ATOM 383 C GLU A 26 4.640 4.629 14.671 1.00 72.20 C ATOM 384 O GLU A 26 5.591 4.517 15.447 1.00 71.13 O ATOM 385 CB GLU A 26 2.328 5.431 15.263 1.00 30.11 C ATOM 386 CG GLU A 26 1.365 6.592 15.516 1.00 43.53 C ATOM 387 CD GLU A 26 1.886 7.584 16.547 1.00 20.40 C ATOM 388 OE1 GLU A 26 2.088 7.189 17.715 1.00 2.32 O ATOM 389 OE2 GLU A 26 2.083 8.768 16.198 1.00 52.34 O ATOM 0 H GLU A 26 2.637 6.479 13.030 1.00 44.05 H new ATOM 0 HA GLU A 26 4.146 6.585 15.409 1.00 74.42 H new ATOM 0 HB2 GLU A 26 1.871 4.745 14.550 1.00 30.11 H new ATOM 0 HB3 GLU A 26 2.464 4.879 16.193 1.00 30.11 H new ATOM 0 HG2 GLU A 26 1.181 7.115 14.578 1.00 43.53 H new ATOM 0 HG3 GLU A 26 0.407 6.195 15.853 1.00 43.53 H new ATOM 396 N SER A 27 4.362 3.712 13.749 1.00 42.35 N ATOM 397 CA SER A 27 5.186 2.507 13.583 1.00 22.03 C ATOM 398 C SER A 27 5.824 2.433 12.188 1.00 60.22 C ATOM 399 O SER A 27 6.877 1.816 12.019 1.00 75.10 O ATOM 400 CB SER A 27 4.361 1.242 13.841 1.00 15.02 C ATOM 401 OG SER A 27 5.169 0.072 13.775 1.00 44.12 O ATOM 0 H SER A 27 3.575 3.775 13.104 1.00 42.35 H new ATOM 0 HA SER A 27 5.988 2.570 14.318 1.00 22.03 H new ATOM 0 HB2 SER A 27 3.891 1.306 14.822 1.00 15.02 H new ATOM 0 HB3 SER A 27 3.558 1.173 13.107 1.00 15.02 H new ATOM 0 HG SER A 27 4.854 -0.502 13.046 1.00 44.12 H new ATOM 407 N GLY A 28 5.196 3.050 11.184 1.00 71.10 N ATOM 408 CA GLY A 28 5.785 3.070 9.840 1.00 33.23 C ATOM 409 C GLY A 28 4.982 2.312 8.781 1.00 63.40 C ATOM 410 O GLY A 28 5.484 2.068 7.684 1.00 22.21 O ATOM 0 H GLY A 28 4.301 3.532 11.270 1.00 71.10 H new ATOM 0 HA2 GLY A 28 5.894 4.107 9.521 1.00 33.23 H new ATOM 0 HA3 GLY A 28 6.787 2.645 9.891 1.00 33.23 H new ATOM 414 N PHE A 29 3.746 1.928 9.097 1.00 2.21 N ATOM 415 CA PHE A 29 2.931 1.125 8.167 1.00 63.55 C ATOM 416 C PHE A 29 2.064 1.993 7.234 1.00 4.11 C ATOM 417 O PHE A 29 1.848 3.177 7.476 1.00 43.14 O ATOM 418 CB PHE A 29 2.026 0.156 8.941 1.00 44.24 C ATOM 419 CG PHE A 29 2.779 -0.889 9.727 1.00 62.40 C ATOM 420 CD1 PHE A 29 3.368 -1.969 9.085 1.00 65.35 C ATOM 421 CD2 PHE A 29 2.893 -0.794 11.104 1.00 21.10 C ATOM 422 CE1 PHE A 29 4.054 -2.929 9.801 1.00 2.23 C ATOM 423 CE2 PHE A 29 3.577 -1.752 11.824 1.00 2.12 C ATOM 424 CZ PHE A 29 4.159 -2.821 11.173 1.00 70.23 C ATOM 0 H PHE A 29 3.285 2.153 9.978 1.00 2.21 H new ATOM 0 HA PHE A 29 3.633 0.567 7.547 1.00 63.55 H new ATOM 0 HB2 PHE A 29 1.398 0.728 9.624 1.00 44.24 H new ATOM 0 HB3 PHE A 29 1.359 -0.343 8.238 1.00 44.24 H new ATOM 0 HD1 PHE A 29 3.289 -2.059 8.012 1.00 65.35 H new ATOM 0 HD2 PHE A 29 2.441 0.040 11.620 1.00 21.10 H new ATOM 0 HE1 PHE A 29 4.508 -3.764 9.288 1.00 2.23 H new ATOM 0 HE2 PHE A 29 3.657 -1.665 12.898 1.00 2.12 H new ATOM 0 HZ PHE A 29 4.695 -3.571 11.736 1.00 70.23 H new ATOM 434 N TYR A 30 1.594 1.383 6.148 1.00 53.33 N ATOM 435 CA TYR A 30 0.633 2.017 5.231 1.00 4.21 C ATOM 436 C TYR A 30 -0.743 1.342 5.331 1.00 53.34 C ATOM 437 O TYR A 30 -0.838 0.118 5.301 1.00 34.43 O ATOM 438 CB TYR A 30 1.132 1.927 3.780 1.00 2.42 C ATOM 439 CG TYR A 30 2.310 2.832 3.466 1.00 42.41 C ATOM 440 CD1 TYR A 30 3.589 2.529 3.919 1.00 12.45 C ATOM 441 CD2 TYR A 30 2.142 3.984 2.702 1.00 51.32 C ATOM 442 CE1 TYR A 30 4.662 3.347 3.623 1.00 52.41 C ATOM 443 CE2 TYR A 30 3.212 4.806 2.403 1.00 43.21 C ATOM 444 CZ TYR A 30 4.469 4.482 2.865 1.00 63.41 C ATOM 445 OH TYR A 30 5.541 5.294 2.567 1.00 72.43 O ATOM 0 H TYR A 30 1.864 0.438 5.874 1.00 53.33 H new ATOM 0 HA TYR A 30 0.541 3.064 5.519 1.00 4.21 H new ATOM 0 HB2 TYR A 30 1.415 0.896 3.569 1.00 2.42 H new ATOM 0 HB3 TYR A 30 0.309 2.175 3.109 1.00 2.42 H new ATOM 0 HD1 TYR A 30 3.746 1.640 4.512 1.00 12.45 H new ATOM 0 HD2 TYR A 30 1.158 4.240 2.337 1.00 51.32 H new ATOM 0 HE1 TYR A 30 5.649 3.098 3.984 1.00 52.41 H new ATOM 0 HE2 TYR A 30 3.064 5.697 1.811 1.00 43.21 H new ATOM 0 HH TYR A 30 5.237 6.051 2.025 1.00 72.43 H new ATOM 455 N GLU A 31 -1.807 2.138 5.442 1.00 61.11 N ATOM 456 CA GLU A 31 -3.174 1.595 5.495 1.00 23.45 C ATOM 457 C GLU A 31 -3.857 1.686 4.126 1.00 41.42 C ATOM 458 O GLU A 31 -4.036 2.783 3.593 1.00 54.10 O ATOM 459 CB GLU A 31 -4.026 2.362 6.517 1.00 34.14 C ATOM 460 CG GLU A 31 -3.435 2.424 7.921 1.00 61.32 C ATOM 461 CD GLU A 31 -4.374 3.096 8.912 1.00 51.24 C ATOM 462 OE1 GLU A 31 -4.930 4.167 8.579 1.00 32.12 O ATOM 463 OE2 GLU A 31 -4.578 2.550 10.017 1.00 22.52 O ATOM 0 H GLU A 31 -1.755 3.155 5.497 1.00 61.11 H new ATOM 0 HA GLU A 31 -3.093 0.549 5.792 1.00 23.45 H new ATOM 0 HB2 GLU A 31 -4.175 3.379 6.155 1.00 34.14 H new ATOM 0 HB3 GLU A 31 -5.010 1.896 6.572 1.00 34.14 H new ATOM 0 HG2 GLU A 31 -3.211 1.414 8.264 1.00 61.32 H new ATOM 0 HG3 GLU A 31 -2.491 2.968 7.892 1.00 61.32 H new ATOM 470 N PHE A 32 -4.247 0.544 3.566 1.00 52.44 N ATOM 471 CA PHE A 32 -4.949 0.520 2.275 1.00 30.15 C ATOM 472 C PHE A 32 -5.882 -0.695 2.166 1.00 62.55 C ATOM 473 O PHE A 32 -5.583 -1.775 2.684 1.00 63.41 O ATOM 474 CB PHE A 32 -3.939 0.530 1.114 1.00 4.20 C ATOM 475 CG PHE A 32 -2.940 -0.605 1.146 1.00 4.15 C ATOM 476 CD1 PHE A 32 -1.836 -0.553 1.987 1.00 10.35 C ATOM 477 CD2 PHE A 32 -3.100 -1.716 0.329 1.00 72.33 C ATOM 478 CE1 PHE A 32 -0.916 -1.583 2.013 1.00 63.35 C ATOM 479 CE2 PHE A 32 -2.182 -2.748 0.352 1.00 35.11 C ATOM 480 CZ PHE A 32 -1.089 -2.683 1.194 1.00 32.54 C ATOM 0 H PHE A 32 -4.092 -0.376 3.979 1.00 52.44 H new ATOM 0 HA PHE A 32 -5.564 1.418 2.213 1.00 30.15 H new ATOM 0 HB2 PHE A 32 -4.486 0.490 0.172 1.00 4.20 H new ATOM 0 HB3 PHE A 32 -3.397 1.476 1.128 1.00 4.20 H new ATOM 0 HD1 PHE A 32 -1.695 0.304 2.629 1.00 10.35 H new ATOM 0 HD2 PHE A 32 -3.952 -1.774 -0.332 1.00 72.33 H new ATOM 0 HE1 PHE A 32 -0.062 -1.529 2.672 1.00 63.35 H new ATOM 0 HE2 PHE A 32 -2.319 -3.606 -0.289 1.00 35.11 H new ATOM 0 HZ PHE A 32 -0.371 -3.490 1.212 1.00 32.54 H new ATOM 490 N LYS A 33 -7.021 -0.513 1.499 1.00 13.22 N ATOM 491 CA LYS A 33 -8.004 -1.591 1.337 1.00 11.13 C ATOM 492 C LYS A 33 -7.865 -2.279 -0.030 1.00 31.52 C ATOM 493 O LYS A 33 -8.144 -1.676 -1.068 1.00 60.55 O ATOM 494 CB LYS A 33 -9.427 -1.036 1.485 1.00 65.32 C ATOM 495 CG LYS A 33 -10.514 -2.109 1.503 1.00 20.42 C ATOM 496 CD LYS A 33 -11.918 -1.535 1.284 1.00 13.20 C ATOM 497 CE LYS A 33 -12.351 -0.555 2.375 1.00 24.51 C ATOM 498 NZ LYS A 33 -11.660 0.758 2.274 1.00 34.03 N ATOM 0 H LYS A 33 -7.288 0.369 1.061 1.00 13.22 H new ATOM 0 HA LYS A 33 -7.813 -2.330 2.115 1.00 11.13 H new ATOM 0 HB2 LYS A 33 -9.486 -0.458 2.407 1.00 65.32 H new ATOM 0 HB3 LYS A 33 -9.624 -0.347 0.664 1.00 65.32 H new ATOM 0 HG2 LYS A 33 -10.303 -2.847 0.729 1.00 20.42 H new ATOM 0 HG3 LYS A 33 -10.485 -2.633 2.458 1.00 20.42 H new ATOM 0 HD2 LYS A 33 -11.949 -1.029 0.319 1.00 13.20 H new ATOM 0 HD3 LYS A 33 -12.634 -2.355 1.238 1.00 13.20 H new ATOM 0 HE2 LYS A 33 -13.428 -0.400 2.312 1.00 24.51 H new ATOM 0 HE3 LYS A 33 -12.149 -0.993 3.352 1.00 24.51 H new ATOM 0 HZ1 LYS A 33 -12.346 1.524 2.428 1.00 34.03 H new ATOM 0 HZ2 LYS A 33 -10.912 0.813 2.994 1.00 34.03 H new ATOM 0 HZ3 LYS A 33 -11.238 0.856 1.329 1.00 34.03 H new ATOM 512 N GLN A 34 -7.440 -3.542 -0.024 1.00 74.43 N ATOM 513 CA GLN A 34 -7.313 -4.328 -1.262 1.00 62.03 C ATOM 514 C GLN A 34 -8.667 -4.501 -1.972 1.00 34.13 C ATOM 515 O GLN A 34 -9.729 -4.333 -1.364 1.00 32.52 O ATOM 516 CB GLN A 34 -6.705 -5.705 -0.961 1.00 14.34 C ATOM 517 CG GLN A 34 -5.278 -5.646 -0.427 1.00 1.11 C ATOM 518 CD GLN A 34 -4.691 -7.024 -0.166 1.00 55.12 C ATOM 519 OE1 GLN A 34 -4.091 -7.634 -1.046 1.00 31.05 O ATOM 520 NE2 GLN A 34 -4.859 -7.526 1.042 1.00 72.31 N ATOM 0 H GLN A 34 -7.177 -4.047 0.822 1.00 74.43 H new ATOM 0 HA GLN A 34 -6.651 -3.776 -1.930 1.00 62.03 H new ATOM 0 HB2 GLN A 34 -7.334 -6.218 -0.233 1.00 14.34 H new ATOM 0 HB3 GLN A 34 -6.717 -6.304 -1.872 1.00 14.34 H new ATOM 0 HG2 GLN A 34 -4.648 -5.117 -1.143 1.00 1.11 H new ATOM 0 HG3 GLN A 34 -5.264 -5.069 0.497 1.00 1.11 H new ATOM 0 HE21 GLN A 34 -5.363 -6.992 1.750 1.00 72.31 H new ATOM 0 HE22 GLN A 34 -4.485 -8.448 1.268 1.00 72.31 H new ATOM 529 N LEU A 35 -8.615 -4.863 -3.255 1.00 1.54 N ATOM 530 CA LEU A 35 -9.816 -5.019 -4.092 1.00 22.23 C ATOM 531 C LEU A 35 -10.907 -5.873 -3.415 1.00 42.21 C ATOM 532 O LEU A 35 -12.096 -5.557 -3.495 1.00 74.41 O ATOM 533 CB LEU A 35 -9.436 -5.644 -5.444 1.00 61.10 C ATOM 534 CG LEU A 35 -8.391 -4.865 -6.262 1.00 10.34 C ATOM 535 CD1 LEU A 35 -8.033 -5.621 -7.540 1.00 42.53 C ATOM 536 CD2 LEU A 35 -8.893 -3.459 -6.588 1.00 62.54 C ATOM 0 H LEU A 35 -7.743 -5.057 -3.747 1.00 1.54 H new ATOM 0 HA LEU A 35 -10.231 -4.022 -4.241 1.00 22.23 H new ATOM 0 HB2 LEU A 35 -9.056 -6.650 -5.266 1.00 61.10 H new ATOM 0 HB3 LEU A 35 -10.340 -5.746 -6.045 1.00 61.10 H new ATOM 0 HG LEU A 35 -7.489 -4.770 -5.657 1.00 10.34 H new ATOM 0 HD11 LEU A 35 -7.293 -5.053 -8.104 1.00 42.53 H new ATOM 0 HD12 LEU A 35 -7.622 -6.597 -7.282 1.00 42.53 H new ATOM 0 HD13 LEU A 35 -8.928 -5.753 -8.147 1.00 42.53 H new ATOM 0 HD21 LEU A 35 -8.137 -2.928 -7.167 1.00 62.54 H new ATOM 0 HD22 LEU A 35 -9.813 -3.527 -7.168 1.00 62.54 H new ATOM 0 HD23 LEU A 35 -9.087 -2.918 -5.662 1.00 62.54 H new ATOM 548 N ASP A 36 -10.494 -6.939 -2.735 1.00 63.34 N ATOM 549 CA ASP A 36 -11.426 -7.867 -2.077 1.00 60.15 C ATOM 550 C ASP A 36 -12.070 -7.267 -0.808 1.00 1.01 C ATOM 551 O ASP A 36 -12.743 -7.972 -0.054 1.00 24.35 O ATOM 552 CB ASP A 36 -10.682 -9.155 -1.713 1.00 64.35 C ATOM 553 CG ASP A 36 -10.029 -9.796 -2.922 1.00 54.22 C ATOM 554 OD1 ASP A 36 -8.985 -9.285 -3.377 1.00 1.22 O ATOM 555 OD2 ASP A 36 -10.557 -10.813 -3.425 1.00 14.32 O ATOM 0 H ASP A 36 -9.511 -7.188 -2.621 1.00 63.34 H new ATOM 0 HA ASP A 36 -12.233 -8.072 -2.780 1.00 60.15 H new ATOM 0 HB2 ASP A 36 -9.921 -8.935 -0.964 1.00 64.35 H new ATOM 0 HB3 ASP A 36 -11.379 -9.861 -1.261 1.00 64.35 H new ATOM 560 N GLY A 37 -11.868 -5.971 -0.580 1.00 61.23 N ATOM 561 CA GLY A 37 -12.394 -5.331 0.618 1.00 11.23 C ATOM 562 C GLY A 37 -11.619 -5.721 1.870 1.00 61.03 C ATOM 563 O GLY A 37 -12.204 -6.072 2.895 1.00 72.44 O ATOM 0 H GLY A 37 -11.350 -5.351 -1.203 1.00 61.23 H new ATOM 0 HA2 GLY A 37 -12.359 -4.249 0.494 1.00 11.23 H new ATOM 0 HA3 GLY A 37 -13.442 -5.604 0.743 1.00 11.23 H new ATOM 567 N LYS A 38 -10.290 -5.676 1.780 1.00 13.33 N ATOM 568 CA LYS A 38 -9.417 -6.067 2.894 1.00 3.12 C ATOM 569 C LYS A 38 -8.436 -4.942 3.255 1.00 53.43 C ATOM 570 O LYS A 38 -7.462 -4.707 2.535 1.00 24.30 O ATOM 571 CB LYS A 38 -8.624 -7.332 2.531 1.00 14.54 C ATOM 572 CG LYS A 38 -9.491 -8.507 2.087 1.00 23.52 C ATOM 573 CD LYS A 38 -8.651 -9.731 1.728 1.00 71.42 C ATOM 574 CE LYS A 38 -7.880 -10.259 2.933 1.00 1.34 C ATOM 575 NZ LYS A 38 -7.021 -11.421 2.586 1.00 71.02 N ATOM 0 H LYS A 38 -9.790 -5.372 0.945 1.00 13.33 H new ATOM 0 HA LYS A 38 -10.053 -6.266 3.756 1.00 3.12 H new ATOM 0 HB2 LYS A 38 -7.922 -7.091 1.733 1.00 14.54 H new ATOM 0 HB3 LYS A 38 -8.033 -7.637 3.394 1.00 14.54 H new ATOM 0 HG2 LYS A 38 -10.188 -8.766 2.884 1.00 23.52 H new ATOM 0 HG3 LYS A 38 -10.089 -8.212 1.225 1.00 23.52 H new ATOM 0 HD2 LYS A 38 -9.299 -10.516 1.338 1.00 71.42 H new ATOM 0 HD3 LYS A 38 -7.951 -9.472 0.933 1.00 71.42 H new ATOM 0 HE2 LYS A 38 -7.261 -9.462 3.343 1.00 1.34 H new ATOM 0 HE3 LYS A 38 -8.584 -10.550 3.713 1.00 1.34 H new ATOM 0 HZ1 LYS A 38 -6.517 -11.746 3.436 1.00 71.02 H new ATOM 0 HZ2 LYS A 38 -7.613 -12.193 2.219 1.00 71.02 H new ATOM 0 HZ3 LYS A 38 -6.331 -11.139 1.861 1.00 71.02 H new ATOM 589 N GLN A 39 -8.695 -4.247 4.361 1.00 14.43 N ATOM 590 CA GLN A 39 -7.794 -3.184 4.824 1.00 61.02 C ATOM 591 C GLN A 39 -6.538 -3.790 5.466 1.00 41.04 C ATOM 592 O GLN A 39 -6.562 -4.238 6.614 1.00 52.24 O ATOM 593 CB GLN A 39 -8.507 -2.255 5.821 1.00 73.14 C ATOM 594 CG GLN A 39 -7.661 -1.058 6.265 1.00 45.15 C ATOM 595 CD GLN A 39 -8.353 -0.196 7.311 1.00 4.41 C ATOM 596 OE1 GLN A 39 -9.142 -0.684 8.115 1.00 13.14 O ATOM 597 NE2 GLN A 39 -8.065 1.090 7.314 1.00 65.14 N ATOM 0 H GLN A 39 -9.513 -4.396 4.951 1.00 14.43 H new ATOM 0 HA GLN A 39 -7.496 -2.591 3.959 1.00 61.02 H new ATOM 0 HB2 GLN A 39 -9.428 -1.889 5.367 1.00 73.14 H new ATOM 0 HB3 GLN A 39 -8.793 -2.832 6.700 1.00 73.14 H new ATOM 0 HG2 GLN A 39 -6.714 -1.419 6.668 1.00 45.15 H new ATOM 0 HG3 GLN A 39 -7.425 -0.445 5.395 1.00 45.15 H new ATOM 0 HE21 GLN A 39 -7.405 1.466 6.633 1.00 65.14 H new ATOM 0 HE22 GLN A 39 -8.502 1.709 7.997 1.00 65.14 H new ATOM 606 N THR A 40 -5.447 -3.819 4.709 1.00 53.02 N ATOM 607 CA THR A 40 -4.189 -4.407 5.184 1.00 21.40 C ATOM 608 C THR A 40 -3.093 -3.346 5.331 1.00 14.32 C ATOM 609 O THR A 40 -3.221 -2.225 4.832 1.00 2.21 O ATOM 610 CB THR A 40 -3.691 -5.529 4.246 1.00 72.44 C ATOM 611 OG1 THR A 40 -2.514 -6.143 4.793 1.00 72.13 O ATOM 612 CG2 THR A 40 -3.387 -4.992 2.850 1.00 1.10 C ATOM 0 H THR A 40 -5.403 -3.443 3.762 1.00 53.02 H new ATOM 0 HA THR A 40 -4.400 -4.837 6.163 1.00 21.40 H new ATOM 0 HB THR A 40 -4.485 -6.271 4.162 1.00 72.44 H new ATOM 0 HG1 THR A 40 -2.207 -6.854 4.193 1.00 72.13 H new ATOM 0 HG21 THR A 40 -3.039 -5.806 2.215 1.00 1.10 H new ATOM 0 HG22 THR A 40 -4.291 -4.559 2.422 1.00 1.10 H new ATOM 0 HG23 THR A 40 -2.614 -4.227 2.915 1.00 1.10 H new ATOM 620 N ARG A 41 -2.015 -3.703 6.024 1.00 30.02 N ATOM 621 CA ARG A 41 -0.924 -2.764 6.301 1.00 2.12 C ATOM 622 C ARG A 41 0.443 -3.359 5.932 1.00 51.44 C ATOM 623 O ARG A 41 0.673 -4.563 6.084 1.00 41.24 O ATOM 624 CB ARG A 41 -0.933 -2.370 7.785 1.00 43.04 C ATOM 625 CG ARG A 41 -2.241 -1.734 8.247 1.00 61.30 C ATOM 626 CD ARG A 41 -2.245 -1.465 9.748 1.00 21.42 C ATOM 627 NE ARG A 41 -2.036 -2.690 10.527 1.00 25.10 N ATOM 628 CZ ARG A 41 -2.748 -3.041 11.567 1.00 53.11 C ATOM 629 NH1 ARG A 41 -3.746 -2.322 11.965 1.00 22.10 N ATOM 630 NH2 ARG A 41 -2.465 -4.127 12.206 1.00 25.54 N ATOM 0 H ARG A 41 -1.871 -4.638 6.406 1.00 30.02 H new ATOM 0 HA ARG A 41 -1.084 -1.879 5.685 1.00 2.12 H new ATOM 0 HB2 ARG A 41 -0.739 -3.257 8.388 1.00 43.04 H new ATOM 0 HB3 ARG A 41 -0.116 -1.673 7.971 1.00 43.04 H new ATOM 0 HG2 ARG A 41 -2.399 -0.798 7.710 1.00 61.30 H new ATOM 0 HG3 ARG A 41 -3.073 -2.391 7.994 1.00 61.30 H new ATOM 0 HD2 ARG A 41 -1.463 -0.744 9.989 1.00 21.42 H new ATOM 0 HD3 ARG A 41 -3.195 -1.012 10.033 1.00 21.42 H new ATOM 0 HE ARG A 41 -1.282 -3.313 10.237 1.00 25.10 H new ATOM 0 HH11 ARG A 41 -3.989 -1.466 11.466 1.00 22.10 H new ATOM 0 HH12 ARG A 41 -4.290 -2.611 12.778 1.00 22.10 H new ATOM 0 HH21 ARG A 41 -1.687 -4.711 11.900 1.00 25.54 H new ATOM 0 HH22 ARG A 41 -3.020 -4.401 13.017 1.00 25.54 H new ATOM 644 N ILE A 42 1.344 -2.509 5.444 1.00 73.43 N ATOM 645 CA ILE A 42 2.713 -2.925 5.119 1.00 22.04 C ATOM 646 C ILE A 42 3.731 -1.848 5.545 1.00 22.44 C ATOM 647 O ILE A 42 3.415 -0.659 5.553 1.00 33.31 O ATOM 648 CB ILE A 42 2.858 -3.243 3.607 1.00 1.14 C ATOM 649 CG1 ILE A 42 4.197 -3.945 3.328 1.00 34.41 C ATOM 650 CG2 ILE A 42 2.720 -1.972 2.765 1.00 30.41 C ATOM 651 CD1 ILE A 42 4.332 -4.459 1.914 1.00 71.11 C ATOM 0 H ILE A 42 1.153 -1.524 5.263 1.00 73.43 H new ATOM 0 HA ILE A 42 2.923 -3.837 5.678 1.00 22.04 H new ATOM 0 HB ILE A 42 2.053 -3.921 3.323 1.00 1.14 H new ATOM 0 HG12 ILE A 42 5.011 -3.249 3.531 1.00 34.41 H new ATOM 0 HG13 ILE A 42 4.311 -4.779 4.020 1.00 34.41 H new ATOM 0 HG21 ILE A 42 2.825 -2.222 1.709 1.00 30.41 H new ATOM 0 HG22 ILE A 42 1.740 -1.527 2.936 1.00 30.41 H new ATOM 0 HG23 ILE A 42 3.496 -1.261 3.049 1.00 30.41 H new ATOM 0 HD11 ILE A 42 5.302 -4.941 1.793 1.00 71.11 H new ATOM 0 HD12 ILE A 42 3.540 -5.180 1.712 1.00 71.11 H new ATOM 0 HD13 ILE A 42 4.251 -3.627 1.215 1.00 71.11 H new ATOM 663 N ASN A 43 4.946 -2.268 5.899 1.00 60.53 N ATOM 664 CA ASN A 43 5.941 -1.360 6.493 1.00 24.25 C ATOM 665 C ASN A 43 6.638 -0.468 5.444 1.00 1.33 C ATOM 666 O ASN A 43 6.758 -0.830 4.270 1.00 71.31 O ATOM 667 CB ASN A 43 6.979 -2.169 7.284 1.00 51.23 C ATOM 668 CG ASN A 43 7.844 -1.298 8.180 1.00 2.22 C ATOM 669 OD1 ASN A 43 7.420 -0.248 8.647 1.00 23.15 O ATOM 670 ND2 ASN A 43 9.060 -1.728 8.431 1.00 23.35 N ATOM 0 H ASN A 43 5.269 -3.229 5.787 1.00 60.53 H new ATOM 0 HA ASN A 43 5.406 -0.690 7.166 1.00 24.25 H new ATOM 0 HB2 ASN A 43 6.466 -2.913 7.893 1.00 51.23 H new ATOM 0 HB3 ASN A 43 7.617 -2.713 6.587 1.00 51.23 H new ATOM 0 HD21 ASN A 43 9.680 -1.183 9.030 1.00 23.35 H new ATOM 0 HD22 ASN A 43 9.384 -2.607 8.027 1.00 23.35 H new ATOM 677 N LYS A 44 7.110 0.694 5.904 1.00 22.14 N ATOM 678 CA LYS A 44 7.721 1.719 5.042 1.00 4.11 C ATOM 679 C LYS A 44 8.954 1.223 4.261 1.00 65.45 C ATOM 680 O LYS A 44 9.280 1.766 3.206 1.00 2.32 O ATOM 681 CB LYS A 44 8.114 2.934 5.895 1.00 61.53 C ATOM 682 CG LYS A 44 9.148 2.611 6.972 1.00 3.35 C ATOM 683 CD LYS A 44 9.460 3.818 7.853 1.00 23.44 C ATOM 684 CE LYS A 44 10.554 3.505 8.868 1.00 1.45 C ATOM 685 NZ LYS A 44 10.188 2.376 9.762 1.00 74.21 N ATOM 0 H LYS A 44 7.081 0.955 6.890 1.00 22.14 H new ATOM 0 HA LYS A 44 6.970 1.985 4.298 1.00 4.11 H new ATOM 0 HB2 LYS A 44 8.510 3.713 5.244 1.00 61.53 H new ATOM 0 HB3 LYS A 44 7.221 3.339 6.370 1.00 61.53 H new ATOM 0 HG2 LYS A 44 8.780 1.795 7.594 1.00 3.35 H new ATOM 0 HG3 LYS A 44 10.066 2.262 6.499 1.00 3.35 H new ATOM 0 HD2 LYS A 44 9.772 4.655 7.228 1.00 23.44 H new ATOM 0 HD3 LYS A 44 8.556 4.131 8.376 1.00 23.44 H new ATOM 0 HE2 LYS A 44 11.477 3.264 8.341 1.00 1.45 H new ATOM 0 HE3 LYS A 44 10.753 4.392 9.469 1.00 1.45 H new ATOM 0 HZ1 LYS A 44 10.878 2.309 10.537 1.00 74.21 H new ATOM 0 HZ2 LYS A 44 9.240 2.539 10.157 1.00 74.21 H new ATOM 0 HZ3 LYS A 44 10.189 1.489 9.219 1.00 74.21 H new ATOM 699 N ASP A 45 9.644 0.211 4.774 1.00 42.04 N ATOM 700 CA ASP A 45 10.851 -0.302 4.112 1.00 62.11 C ATOM 701 C ASP A 45 10.517 -1.235 2.932 1.00 14.43 C ATOM 702 O ASP A 45 11.393 -1.578 2.130 1.00 4.13 O ATOM 703 CB ASP A 45 11.766 -1.002 5.134 1.00 41.50 C ATOM 704 CG ASP A 45 11.052 -2.015 6.018 1.00 41.01 C ATOM 705 OD1 ASP A 45 9.912 -2.410 5.706 1.00 54.23 O ATOM 706 OD2 ASP A 45 11.632 -2.406 7.055 1.00 32.44 O ATOM 0 H ASP A 45 9.396 -0.271 5.638 1.00 42.04 H new ATOM 0 HA ASP A 45 11.384 0.552 3.694 1.00 62.11 H new ATOM 0 HB2 ASP A 45 12.571 -1.506 4.599 1.00 41.50 H new ATOM 0 HB3 ASP A 45 12.230 -0.246 5.768 1.00 41.50 H new ATOM 711 N GLN A 46 9.249 -1.627 2.821 1.00 44.52 N ATOM 712 CA GLN A 46 8.801 -2.527 1.753 1.00 2.11 C ATOM 713 C GLN A 46 8.251 -1.765 0.536 1.00 10.23 C ATOM 714 O GLN A 46 8.141 -2.329 -0.548 1.00 74.04 O ATOM 715 CB GLN A 46 7.717 -3.475 2.287 1.00 3.12 C ATOM 716 CG GLN A 46 8.152 -4.329 3.476 1.00 51.53 C ATOM 717 CD GLN A 46 9.155 -5.420 3.116 1.00 34.11 C ATOM 718 OE1 GLN A 46 9.957 -5.279 2.199 1.00 44.41 O ATOM 719 NE2 GLN A 46 9.113 -6.524 3.836 1.00 23.31 N ATOM 0 H GLN A 46 8.509 -1.335 3.459 1.00 44.52 H new ATOM 0 HA GLN A 46 9.673 -3.093 1.426 1.00 2.11 H new ATOM 0 HB2 GLN A 46 6.848 -2.885 2.578 1.00 3.12 H new ATOM 0 HB3 GLN A 46 7.399 -4.134 1.479 1.00 3.12 H new ATOM 0 HG2 GLN A 46 8.591 -3.682 4.235 1.00 51.53 H new ATOM 0 HG3 GLN A 46 7.271 -4.791 3.921 1.00 51.53 H new ATOM 0 HE21 GLN A 46 8.435 -6.614 4.593 1.00 23.31 H new ATOM 0 HE22 GLN A 46 9.758 -7.288 3.636 1.00 23.31 H new ATOM 728 N VAL A 47 7.895 -0.496 0.709 1.00 71.40 N ATOM 729 CA VAL A 47 7.285 0.283 -0.379 1.00 4.15 C ATOM 730 C VAL A 47 8.331 0.909 -1.324 1.00 23.24 C ATOM 731 O VAL A 47 9.186 1.693 -0.908 1.00 15.42 O ATOM 732 CB VAL A 47 6.353 1.395 0.172 1.00 71.44 C ATOM 733 CG1 VAL A 47 7.112 2.350 1.091 1.00 45.32 C ATOM 734 CG2 VAL A 47 5.682 2.158 -0.972 1.00 31.02 C ATOM 0 H VAL A 47 8.014 0.017 1.582 1.00 71.40 H new ATOM 0 HA VAL A 47 6.694 -0.428 -0.957 1.00 4.15 H new ATOM 0 HB VAL A 47 5.575 0.914 0.764 1.00 71.44 H new ATOM 0 HG11 VAL A 47 6.432 3.117 1.460 1.00 45.32 H new ATOM 0 HG12 VAL A 47 7.524 1.794 1.933 1.00 45.32 H new ATOM 0 HG13 VAL A 47 7.923 2.821 0.536 1.00 45.32 H new ATOM 0 HG21 VAL A 47 5.034 2.932 -0.562 1.00 31.02 H new ATOM 0 HG22 VAL A 47 6.445 2.619 -1.599 1.00 31.02 H new ATOM 0 HG23 VAL A 47 5.088 1.467 -1.571 1.00 31.02 H new ATOM 744 N ARG A 48 8.267 0.542 -2.603 1.00 71.31 N ATOM 745 CA ARG A 48 9.111 1.160 -3.635 1.00 41.01 C ATOM 746 C ARG A 48 8.491 2.479 -4.118 1.00 54.43 C ATOM 747 O ARG A 48 9.045 3.557 -3.897 1.00 31.23 O ATOM 748 CB ARG A 48 9.301 0.203 -4.826 1.00 24.34 C ATOM 749 CG ARG A 48 10.116 0.773 -5.994 1.00 10.43 C ATOM 750 CD ARG A 48 11.597 0.936 -5.656 1.00 71.03 C ATOM 751 NE ARG A 48 11.855 2.020 -4.704 1.00 65.11 N ATOM 752 CZ ARG A 48 13.012 2.225 -4.126 1.00 5.33 C ATOM 753 NH1 ARG A 48 14.014 1.437 -4.362 1.00 31.51 N ATOM 754 NH2 ARG A 48 13.163 3.215 -3.308 1.00 14.41 N ATOM 0 H ARG A 48 7.639 -0.181 -2.954 1.00 71.31 H new ATOM 0 HA ARG A 48 10.086 1.369 -3.195 1.00 41.01 H new ATOM 0 HB2 ARG A 48 9.791 -0.703 -4.470 1.00 24.34 H new ATOM 0 HB3 ARG A 48 8.319 -0.090 -5.197 1.00 24.34 H new ATOM 0 HG2 ARG A 48 10.015 0.115 -6.857 1.00 10.43 H new ATOM 0 HG3 ARG A 48 9.704 1.741 -6.281 1.00 10.43 H new ATOM 0 HD2 ARG A 48 11.974 0.001 -5.243 1.00 71.03 H new ATOM 0 HD3 ARG A 48 12.154 1.126 -6.573 1.00 71.03 H new ATOM 0 HE ARG A 48 11.087 2.653 -4.478 1.00 65.11 H new ATOM 0 HH11 ARG A 48 13.904 0.650 -5.002 1.00 31.51 H new ATOM 0 HH12 ARG A 48 14.912 1.604 -3.908 1.00 31.51 H new ATOM 0 HH21 ARG A 48 12.380 3.838 -3.112 1.00 14.41 H new ATOM 0 HH22 ARG A 48 14.065 3.373 -2.859 1.00 14.41 H new ATOM 768 N THR A 49 7.339 2.373 -4.787 1.00 44.44 N ATOM 769 CA THR A 49 6.618 3.542 -5.321 1.00 31.11 C ATOM 770 C THR A 49 5.096 3.327 -5.286 1.00 51.33 C ATOM 771 O THR A 49 4.598 2.245 -5.608 1.00 3.43 O ATOM 772 CB THR A 49 7.030 3.871 -6.785 1.00 52.34 C ATOM 773 OG1 THR A 49 6.873 2.715 -7.622 1.00 10.40 O ATOM 774 CG2 THR A 49 8.470 4.367 -6.870 1.00 54.24 C ATOM 0 H THR A 49 6.879 1.482 -4.975 1.00 44.44 H new ATOM 0 HA THR A 49 6.891 4.378 -4.677 1.00 31.11 H new ATOM 0 HB THR A 49 6.373 4.668 -7.133 1.00 52.34 H new ATOM 0 HG1 THR A 49 7.414 2.822 -8.432 1.00 10.40 H new ATOM 0 HG21 THR A 49 8.719 4.586 -7.908 1.00 54.24 H new ATOM 0 HG22 THR A 49 8.579 5.272 -6.272 1.00 54.24 H new ATOM 0 HG23 THR A 49 9.143 3.598 -6.490 1.00 54.24 H new ATOM 782 N VAL A 50 4.357 4.360 -4.890 1.00 24.22 N ATOM 783 CA VAL A 50 2.892 4.302 -4.873 1.00 31.24 C ATOM 784 C VAL A 50 2.308 4.910 -6.159 1.00 54.21 C ATOM 785 O VAL A 50 2.347 6.127 -6.355 1.00 14.34 O ATOM 786 CB VAL A 50 2.308 5.045 -3.642 1.00 54.11 C ATOM 787 CG1 VAL A 50 0.784 4.932 -3.607 1.00 11.24 C ATOM 788 CG2 VAL A 50 2.918 4.510 -2.349 1.00 53.13 C ATOM 0 H VAL A 50 4.746 5.249 -4.576 1.00 24.22 H new ATOM 0 HA VAL A 50 2.612 3.250 -4.810 1.00 31.24 H new ATOM 0 HB VAL A 50 2.566 6.100 -3.732 1.00 54.11 H new ATOM 0 HG11 VAL A 50 0.400 5.461 -2.735 1.00 11.24 H new ATOM 0 HG12 VAL A 50 0.366 5.373 -4.512 1.00 11.24 H new ATOM 0 HG13 VAL A 50 0.498 3.882 -3.549 1.00 11.24 H new ATOM 0 HG21 VAL A 50 2.495 5.045 -1.499 1.00 53.13 H new ATOM 0 HG22 VAL A 50 2.697 3.447 -2.255 1.00 53.13 H new ATOM 0 HG23 VAL A 50 3.998 4.656 -2.368 1.00 53.13 H new ATOM 798 N LYS A 51 1.761 4.061 -7.027 1.00 34.45 N ATOM 799 CA LYS A 51 1.230 4.504 -8.325 1.00 1.02 C ATOM 800 C LYS A 51 -0.302 4.443 -8.361 1.00 71.02 C ATOM 801 O LYS A 51 -0.915 3.531 -7.806 1.00 71.33 O ATOM 802 CB LYS A 51 1.796 3.632 -9.455 1.00 4.21 C ATOM 803 CG LYS A 51 3.310 3.727 -9.616 1.00 62.44 C ATOM 804 CD LYS A 51 3.807 2.816 -10.734 1.00 55.41 C ATOM 805 CE LYS A 51 5.303 2.973 -10.979 1.00 0.14 C ATOM 806 NZ LYS A 51 5.779 2.057 -12.049 1.00 23.54 N ATOM 0 H LYS A 51 1.671 3.059 -6.859 1.00 34.45 H new ATOM 0 HA LYS A 51 1.537 5.540 -8.465 1.00 1.02 H new ATOM 0 HB2 LYS A 51 1.526 2.593 -9.268 1.00 4.21 H new ATOM 0 HB3 LYS A 51 1.323 3.920 -10.394 1.00 4.21 H new ATOM 0 HG2 LYS A 51 3.591 4.758 -9.832 1.00 62.44 H new ATOM 0 HG3 LYS A 51 3.795 3.454 -8.679 1.00 62.44 H new ATOM 0 HD2 LYS A 51 3.589 1.779 -10.480 1.00 55.41 H new ATOM 0 HD3 LYS A 51 3.264 3.040 -11.652 1.00 55.41 H new ATOM 0 HE2 LYS A 51 5.521 4.004 -11.258 1.00 0.14 H new ATOM 0 HE3 LYS A 51 5.847 2.770 -10.056 1.00 0.14 H new ATOM 0 HZ1 LYS A 51 6.801 2.190 -12.190 1.00 23.54 H new ATOM 0 HZ2 LYS A 51 5.593 1.072 -11.771 1.00 23.54 H new ATOM 0 HZ3 LYS A 51 5.277 2.268 -12.935 1.00 23.54 H new ATOM 820 N ASP A 52 -0.919 5.418 -9.019 1.00 62.24 N ATOM 821 CA ASP A 52 -2.375 5.441 -9.178 1.00 71.34 C ATOM 822 C ASP A 52 -2.799 4.804 -10.510 1.00 35.31 C ATOM 823 O ASP A 52 -2.023 4.753 -11.466 1.00 34.32 O ATOM 824 CB ASP A 52 -2.890 6.878 -9.092 1.00 35.42 C ATOM 825 CG ASP A 52 -2.614 7.503 -7.737 1.00 4.23 C ATOM 826 OD1 ASP A 52 -3.250 7.089 -6.746 1.00 34.11 O ATOM 827 OD2 ASP A 52 -1.752 8.405 -7.654 1.00 64.33 O ATOM 0 H ASP A 52 -0.436 6.205 -9.453 1.00 62.24 H new ATOM 0 HA ASP A 52 -2.813 4.855 -8.370 1.00 71.34 H new ATOM 0 HB2 ASP A 52 -2.419 7.479 -9.870 1.00 35.42 H new ATOM 0 HB3 ASP A 52 -3.963 6.890 -9.285 1.00 35.42 H new