USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 893 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 13 SER OG : rot 56:sc= 0.239 USER MOD Set 1.2: A 100 CYS SG : rot 19:sc= 0.151 USER MOD Set 2.1: A 92 ASN : amide:sc= -2.02! C(o=-4.9!,f=-3.5!) USER MOD Set 2.2: A 99 GLN : amide:sc= -2.92! K(o=-4.9!,f=-2) USER MOD Set 3.1: A 10 SER OG : rot 121:sc= -0.859! USER MOD Set 3.2: A 71 TYR OH : rot -133:sc= 1.25 USER MOD Set 3.3: A 85 THR OG1 : rot -97:sc= 1.73 USER MOD Set 3.4: A 105 ASN : amide:sc= 2.61 K(o=4.7,f=2.2) USER MOD Set 4.1: A 53 MET CE :methyl -170:sc= -0.22 (180deg=-0.453) USER MOD Set 4.2: A 56 SER OG : rot -170:sc=-0.00698 USER MOD Set 4.3: A 68 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 12 HIS : no HE2:sc= -1.37 K(o=-1.3,f=-3.5) USER MOD Set 5.2: A 45 TYR OH : rot 69:sc= 0.72 USER MOD Set 5.3: A 103 CYS SG : rot 172:sc= -0.684 USER MOD Set 6.1: A 16 MET CE :methyl 167:sc= -6.09! (180deg=-6.25!) USER MOD Set 6.2: A 57 HIS : no HD1:sc= -0.0703 X(o=-6.2,f=-6.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0427 (180deg=-0.263) USER MOD Single : A 7 THR OG1 : rot -102:sc= 0.21 USER MOD Single : A 14 MET CE :methyl -162:sc= -0.0974 (180deg=-0.503) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -46:sc= -2.1! USER MOD Single : A 26 THR OG1 : rot -67:sc= 1.25 USER MOD Single : A 31 TYR OH : rot 130:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-5.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 109:sc= 0.0867 USER MOD Single : A 46 HIS : no HD1:sc= -9.62! C(o=-9.6!,f=-10!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.79 USER MOD Single : A 52 ASN : amide:sc= 0.469 K(o=0.47,f=-0.067) USER MOD Single : A 54 THR OG1 : rot 60:sc= 1.11 USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.863) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 59 ASN : amide:sc= -0.09 X(o=-0.09,f=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 70 GLN : amide:sc= -0.637 X(o=-0.64,f=-0.58) USER MOD Single : A 73 MET CE :methyl 163:sc= -0.507 (180deg=-0.823) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.42) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0528 USER MOD Single : A 86 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0919 USER MOD Single : A 91 TYR OH : rot -158:sc= 1.24 USER MOD Single : A 95 ASN : amide:sc= -0.0298 K(o=-0.03,f=-1.9!) USER MOD Single : A 97 GLN : amide:sc= 0.202 X(o=0.2,f=-0.047) USER MOD Single : A 102 MET CE :methyl 160:sc= -0.137 (180deg=-0.669) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -147:sc= -0.873 (180deg=-2.84!) USER MOD Single : A 114 ASN : amide:sc= 0.833 K(o=0.83,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.938 5.916 -14.950 1.00 8.25 N ATOM 2 CA GLY A 1 -2.795 6.974 -15.530 1.00 7.69 C ATOM 3 C GLY A 1 -3.991 6.404 -16.263 1.00 7.07 C ATOM 4 O GLY A 1 -3.858 5.888 -17.373 1.00 7.20 O ATOM 0 H1 GLY A 1 -1.132 6.353 -14.458 1.00 8.25 H new ATOM 0 H2 GLY A 1 -2.492 5.352 -14.274 1.00 8.25 H new ATOM 0 H3 GLY A 1 -1.587 5.299 -15.710 1.00 8.25 H new ATOM 0 HA2 GLY A 1 -3.140 7.636 -14.736 1.00 7.69 H new ATOM 0 HA3 GLY A 1 -2.205 7.581 -16.217 1.00 7.69 H new ATOM 10 N ALA A 2 -5.154 6.474 -15.627 1.00 6.74 N ATOM 11 CA ALA A 2 -6.399 6.021 -16.229 1.00 6.50 C ATOM 12 C ALA A 2 -7.553 6.896 -15.761 1.00 5.63 C ATOM 13 O ALA A 2 -7.676 7.183 -14.572 1.00 5.72 O ATOM 14 CB ALA A 2 -6.664 4.566 -15.877 1.00 7.23 C ATOM 0 H ALA A 2 -5.259 6.845 -14.683 1.00 6.74 H new ATOM 0 HA ALA A 2 -6.311 6.102 -17.312 1.00 6.50 H new ATOM 0 HB1 ALA A 2 -7.599 4.245 -16.336 1.00 7.23 H new ATOM 0 HB2 ALA A 2 -5.847 3.947 -16.248 1.00 7.23 H new ATOM 0 HB3 ALA A 2 -6.736 4.461 -14.794 1.00 7.23 H new ATOM 20 N MET A 3 -8.395 7.316 -16.691 1.00 5.15 N ATOM 21 CA MET A 3 -9.519 8.186 -16.366 1.00 4.60 C ATOM 22 C MET A 3 -10.760 7.368 -16.022 1.00 3.69 C ATOM 23 O MET A 3 -11.861 7.664 -16.486 1.00 3.99 O ATOM 24 CB MET A 3 -9.815 9.132 -17.531 1.00 5.41 C ATOM 25 CG MET A 3 -8.701 10.115 -17.818 1.00 6.28 C ATOM 26 SD MET A 3 -9.085 11.235 -19.179 1.00 7.11 S ATOM 27 CE MET A 3 -7.616 12.261 -19.187 1.00 7.93 C ATOM 0 H MET A 3 -8.323 7.070 -17.678 1.00 5.15 H new ATOM 0 HA MET A 3 -9.247 8.778 -15.492 1.00 4.60 H new ATOM 0 HB2 MET A 3 -10.005 8.541 -18.427 1.00 5.41 H new ATOM 0 HB3 MET A 3 -10.729 9.686 -17.314 1.00 5.41 H new ATOM 0 HG2 MET A 3 -8.498 10.699 -16.920 1.00 6.28 H new ATOM 0 HG3 MET A 3 -7.790 9.565 -18.053 1.00 6.28 H new ATOM 0 HE1 MET A 3 -7.698 13.008 -19.976 1.00 7.93 H new ATOM 0 HE2 MET A 3 -7.516 12.761 -18.224 1.00 7.93 H new ATOM 0 HE3 MET A 3 -6.739 11.639 -19.366 1.00 7.93 H new ATOM 37 N ASP A 4 -10.577 6.345 -15.200 1.00 3.10 N ATOM 38 CA ASP A 4 -11.690 5.520 -14.742 1.00 2.74 C ATOM 39 C ASP A 4 -11.495 5.171 -13.280 1.00 2.19 C ATOM 40 O ASP A 4 -12.194 5.683 -12.406 1.00 2.83 O ATOM 41 CB ASP A 4 -11.806 4.235 -15.564 1.00 3.07 C ATOM 42 CG ASP A 4 -13.083 3.477 -15.251 1.00 3.89 C ATOM 43 OD1 ASP A 4 -13.106 2.709 -14.265 1.00 4.39 O ATOM 44 OD2 ASP A 4 -14.074 3.661 -15.990 1.00 4.39 O ATOM 0 H ASP A 4 -9.667 6.064 -14.835 1.00 3.10 H new ATOM 0 HA ASP A 4 -12.610 6.090 -14.870 1.00 2.74 H new ATOM 0 HB2 ASP A 4 -11.780 4.480 -16.626 1.00 3.07 H new ATOM 0 HB3 ASP A 4 -10.946 3.596 -15.363 1.00 3.07 H new ATOM 49 N SER A 5 -10.533 4.299 -13.023 1.00 1.51 N ATOM 50 CA SER A 5 -10.161 3.956 -11.667 1.00 1.13 C ATOM 51 C SER A 5 -9.222 5.024 -11.120 1.00 0.89 C ATOM 52 O SER A 5 -8.478 5.651 -11.878 1.00 1.67 O ATOM 53 CB SER A 5 -9.475 2.589 -11.647 1.00 1.29 C ATOM 54 OG SER A 5 -10.200 1.644 -12.423 1.00 1.99 O ATOM 0 H SER A 5 -9.995 3.816 -13.743 1.00 1.51 H new ATOM 0 HA SER A 5 -11.053 3.907 -11.043 1.00 1.13 H new ATOM 0 HB2 SER A 5 -8.461 2.682 -12.035 1.00 1.29 H new ATOM 0 HB3 SER A 5 -9.392 2.234 -10.620 1.00 1.29 H new ATOM 0 HG SER A 5 -9.741 0.778 -12.397 1.00 1.99 H new ATOM 60 N LYS A 6 -9.248 5.237 -9.816 1.00 0.74 N ATOM 61 CA LYS A 6 -8.383 6.236 -9.216 1.00 0.49 C ATOM 62 C LYS A 6 -7.061 5.607 -8.823 1.00 0.39 C ATOM 63 O LYS A 6 -6.994 4.418 -8.502 1.00 0.48 O ATOM 64 CB LYS A 6 -9.043 6.881 -7.994 1.00 0.68 C ATOM 65 CG LYS A 6 -10.272 7.705 -8.328 1.00 0.95 C ATOM 66 CD LYS A 6 -10.885 8.327 -7.084 1.00 1.62 C ATOM 67 CE LYS A 6 -12.114 9.160 -7.421 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.172 8.350 -8.075 1.00 2.61 N ATOM 0 H LYS A 6 -9.850 4.739 -9.160 1.00 0.74 H new ATOM 0 HA LYS A 6 -8.205 7.018 -9.954 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.322 6.099 -7.288 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -8.314 7.518 -7.493 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -10.003 8.491 -9.033 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.011 7.073 -8.821 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -11.159 7.541 -6.381 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -10.145 8.954 -6.588 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -12.511 9.606 -6.509 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -11.827 9.980 -8.079 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -14.062 8.888 -8.089 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -12.887 8.128 -9.050 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.310 7.466 -7.545 1.00 2.61 H new ATOM 82 N THR A 7 -6.012 6.396 -8.866 1.00 0.30 N ATOM 83 CA THR A 7 -4.692 5.910 -8.554 1.00 0.27 C ATOM 84 C THR A 7 -4.015 6.867 -7.592 1.00 0.21 C ATOM 85 O THR A 7 -3.914 8.062 -7.863 1.00 0.22 O ATOM 86 CB THR A 7 -3.854 5.784 -9.839 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.564 4.992 -10.804 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.496 5.157 -9.561 1.00 0.34 C ATOM 0 H THR A 7 -6.051 7.384 -9.116 1.00 0.30 H new ATOM 0 HA THR A 7 -4.775 4.927 -8.091 1.00 0.27 H new ATOM 0 HB THR A 7 -3.688 6.787 -10.232 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.195 4.084 -10.818 1.00 0.43 H new ATOM 0 HG21 THR A 7 -1.932 5.084 -10.491 1.00 0.34 H new ATOM 0 HG22 THR A 7 -1.947 5.777 -8.852 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.634 4.161 -9.141 1.00 0.34 H new ATOM 96 N PHE A 8 -3.563 6.348 -6.466 1.00 0.19 N ATOM 97 CA PHE A 8 -2.870 7.170 -5.499 1.00 0.18 C ATOM 98 C PHE A 8 -1.496 6.581 -5.233 1.00 0.19 C ATOM 99 O PHE A 8 -1.353 5.373 -5.010 1.00 0.22 O ATOM 100 CB PHE A 8 -3.690 7.325 -4.201 1.00 0.21 C ATOM 101 CG PHE A 8 -3.483 6.245 -3.169 1.00 0.23 C ATOM 102 CD1 PHE A 8 -4.178 5.052 -3.241 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.595 6.436 -2.120 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.994 4.068 -2.289 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.407 5.457 -1.165 1.00 0.36 C ATOM 106 CZ PHE A 8 -3.107 4.271 -1.250 1.00 0.40 C ATOM 0 H PHE A 8 -3.663 5.368 -6.202 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.746 8.173 -5.906 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.445 8.286 -3.750 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.748 7.356 -4.462 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.873 4.887 -4.051 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -2.044 7.362 -2.050 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.543 3.141 -2.357 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.714 5.619 -0.353 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.962 3.503 -0.505 1.00 0.40 H new ATOM 116 N LEU A 9 -0.486 7.421 -5.320 1.00 0.18 N ATOM 117 CA LEU A 9 0.874 7.000 -5.057 1.00 0.20 C ATOM 118 C LEU A 9 1.076 6.877 -3.552 1.00 0.20 C ATOM 119 O LEU A 9 0.513 7.642 -2.776 1.00 0.33 O ATOM 120 CB LEU A 9 1.857 8.016 -5.663 1.00 0.22 C ATOM 121 CG LEU A 9 3.246 7.479 -6.045 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.124 7.267 -4.821 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.117 6.183 -6.831 1.00 0.37 C ATOM 0 H LEU A 9 -0.582 8.405 -5.572 1.00 0.18 H new ATOM 0 HA LEU A 9 1.061 6.029 -5.517 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.399 8.444 -6.555 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.990 8.830 -4.950 1.00 0.22 H new ATOM 0 HG LEU A 9 3.727 8.230 -6.672 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.097 6.887 -5.133 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.255 8.215 -4.299 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.650 6.547 -4.154 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.109 5.816 -7.094 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.604 5.438 -6.223 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.545 6.365 -7.741 1.00 0.37 H new ATOM 135 N SER A 10 1.861 5.917 -3.136 1.00 0.32 N ATOM 136 CA SER A 10 2.173 5.769 -1.736 1.00 0.32 C ATOM 137 C SER A 10 3.582 5.246 -1.609 1.00 0.28 C ATOM 138 O SER A 10 4.168 4.784 -2.587 1.00 0.29 O ATOM 139 CB SER A 10 1.179 4.846 -1.027 1.00 0.41 C ATOM 140 OG SER A 10 1.184 3.540 -1.573 1.00 1.10 O ATOM 0 H SER A 10 2.297 5.225 -3.746 1.00 0.32 H new ATOM 0 HA SER A 10 2.095 6.741 -1.250 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.424 4.796 0.034 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.176 5.267 -1.103 1.00 0.41 H new ATOM 0 HG SER A 10 1.416 2.894 -0.874 1.00 1.10 H new ATOM 146 N ARG A 11 4.130 5.315 -0.421 1.00 0.28 N ATOM 147 CA ARG A 11 5.502 4.923 -0.239 1.00 0.30 C ATOM 148 C ARG A 11 5.776 4.504 1.193 1.00 0.21 C ATOM 149 O ARG A 11 5.177 5.008 2.144 1.00 0.21 O ATOM 150 CB ARG A 11 6.449 6.026 -0.738 1.00 0.51 C ATOM 151 CG ARG A 11 7.539 6.415 0.235 1.00 0.99 C ATOM 152 CD ARG A 11 8.556 7.349 -0.409 1.00 1.00 C ATOM 153 NE ARG A 11 7.930 8.500 -1.067 1.00 1.28 N ATOM 154 CZ ARG A 11 8.537 9.675 -1.266 1.00 1.70 C ATOM 155 NH1 ARG A 11 9.769 9.879 -0.817 1.00 1.99 N ATOM 156 NH2 ARG A 11 7.908 10.644 -1.916 1.00 2.46 N ATOM 0 H ARG A 11 3.654 5.634 0.423 1.00 0.28 H new ATOM 0 HA ARG A 11 5.696 4.040 -0.848 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.912 5.694 -1.667 1.00 0.51 H new ATOM 0 HB3 ARG A 11 5.859 6.912 -0.974 1.00 0.51 H new ATOM 0 HG2 ARG A 11 7.096 6.902 1.104 1.00 0.99 H new ATOM 0 HG3 ARG A 11 8.044 5.518 0.595 1.00 0.99 H new ATOM 0 HD2 ARG A 11 9.250 7.704 0.353 1.00 1.00 H new ATOM 0 HD3 ARG A 11 9.142 6.792 -1.140 1.00 1.00 H new ATOM 0 HE ARG A 11 6.969 8.398 -1.394 1.00 1.28 H new ATOM 0 HH11 ARG A 11 10.259 9.137 -0.317 1.00 1.99 H new ATOM 0 HH12 ARG A 11 10.226 10.778 -0.972 1.00 1.99 H new ATOM 0 HH21 ARG A 11 6.961 10.493 -2.264 1.00 2.46 H new ATOM 0 HH22 ARG A 11 8.371 11.540 -2.068 1.00 2.46 H new ATOM 170 N HIS A 12 6.657 3.536 1.317 1.00 0.25 N ATOM 171 CA HIS A 12 7.010 2.947 2.591 1.00 0.32 C ATOM 172 C HIS A 12 8.516 3.032 2.774 1.00 0.32 C ATOM 173 O HIS A 12 9.214 3.523 1.895 1.00 0.36 O ATOM 174 CB HIS A 12 6.570 1.480 2.646 1.00 0.36 C ATOM 175 CG HIS A 12 5.107 1.246 2.392 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.214 0.921 3.387 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.394 1.233 1.238 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.028 0.716 2.864 1.00 0.86 C ATOM 179 NE2 HIS A 12 3.102 0.897 1.559 1.00 0.51 N ATOM 0 H HIS A 12 7.155 3.130 0.525 1.00 0.25 H new ATOM 0 HA HIS A 12 6.503 3.491 3.388 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.146 0.916 1.912 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.822 1.077 3.627 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.439 0.850 4.379 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.773 1.447 0.250 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.138 0.444 3.412 1.00 0.86 H new ATOM 188 N SER A 13 9.012 2.577 3.907 1.00 0.32 N ATOM 189 CA SER A 13 10.447 2.521 4.132 1.00 0.35 C ATOM 190 C SER A 13 10.793 1.256 4.906 1.00 0.43 C ATOM 191 O SER A 13 10.109 0.938 5.875 1.00 0.91 O ATOM 192 CB SER A 13 10.909 3.760 4.903 1.00 0.68 C ATOM 193 OG SER A 13 12.322 3.817 5.000 1.00 1.70 O ATOM 0 H SER A 13 8.446 2.241 4.686 1.00 0.32 H new ATOM 0 HA SER A 13 10.961 2.502 3.171 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.541 4.657 4.405 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.475 3.750 5.903 1.00 0.68 H new ATOM 0 HG SER A 13 12.713 3.777 4.102 1.00 1.70 H new ATOM 199 N MET A 14 11.842 0.554 4.448 1.00 0.27 N ATOM 200 CA MET A 14 12.338 -0.699 5.051 1.00 0.36 C ATOM 201 C MET A 14 11.224 -1.642 5.521 1.00 0.33 C ATOM 202 O MET A 14 10.804 -2.535 4.785 1.00 0.40 O ATOM 203 CB MET A 14 13.292 -0.387 6.207 1.00 0.56 C ATOM 204 CG MET A 14 14.566 0.319 5.770 1.00 1.35 C ATOM 205 SD MET A 14 15.679 0.671 7.148 1.00 1.76 S ATOM 206 CE MET A 14 14.691 1.827 8.097 1.00 2.75 C ATOM 0 H MET A 14 12.381 0.845 3.633 1.00 0.27 H new ATOM 0 HA MET A 14 12.870 -1.229 4.260 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.774 0.235 6.937 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.556 -1.317 6.710 1.00 0.56 H new ATOM 0 HG2 MET A 14 15.086 -0.299 5.038 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.306 1.253 5.271 1.00 1.35 H new ATOM 0 HE1 MET A 14 15.334 2.375 8.786 1.00 2.75 H new ATOM 0 HE2 MET A 14 14.202 2.528 7.421 1.00 2.75 H new ATOM 0 HE3 MET A 14 13.936 1.281 8.662 1.00 2.75 H new ATOM 216 N ASP A 15 10.750 -1.421 6.746 1.00 0.36 N ATOM 217 CA ASP A 15 9.705 -2.250 7.365 1.00 0.41 C ATOM 218 C ASP A 15 8.399 -2.193 6.564 1.00 0.34 C ATOM 219 O ASP A 15 7.528 -3.052 6.712 1.00 0.41 O ATOM 220 CB ASP A 15 9.457 -1.777 8.803 1.00 0.56 C ATOM 221 CG ASP A 15 8.487 -2.658 9.567 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.917 -3.717 10.074 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.301 -2.286 9.687 1.00 1.49 O ATOM 0 H ASP A 15 11.078 -0.661 7.343 1.00 0.36 H new ATOM 0 HA ASP A 15 10.049 -3.284 7.372 1.00 0.41 H new ATOM 0 HB2 ASP A 15 10.407 -1.747 9.337 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.071 -0.758 8.781 1.00 0.56 H new ATOM 228 N MET A 16 8.285 -1.171 5.710 1.00 0.29 N ATOM 229 CA MET A 16 7.122 -0.985 4.844 1.00 0.35 C ATOM 230 C MET A 16 5.881 -0.575 5.654 1.00 0.37 C ATOM 231 O MET A 16 4.764 -0.992 5.356 1.00 0.69 O ATOM 232 CB MET A 16 6.865 -2.261 4.005 1.00 0.49 C ATOM 233 CG MET A 16 5.701 -2.149 3.022 1.00 0.67 C ATOM 234 SD MET A 16 5.485 -3.615 1.994 1.00 0.73 S ATOM 235 CE MET A 16 6.831 -3.408 0.834 1.00 0.48 C ATOM 0 H MET A 16 8.998 -0.450 5.601 1.00 0.29 H new ATOM 0 HA MET A 16 7.334 -0.168 4.155 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.771 -2.504 3.450 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.673 -3.093 4.682 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.782 -1.967 3.579 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.861 -1.284 2.378 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.980 -4.335 0.280 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.591 -2.604 0.138 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.743 -3.158 1.376 1.00 0.48 H new ATOM 245 N LYS A 17 6.050 0.279 6.660 1.00 0.31 N ATOM 246 CA LYS A 17 4.883 0.725 7.420 1.00 0.31 C ATOM 247 C LYS A 17 4.043 1.736 6.632 1.00 0.27 C ATOM 248 O LYS A 17 2.923 1.428 6.291 1.00 0.29 O ATOM 249 CB LYS A 17 5.294 1.307 8.779 1.00 0.42 C ATOM 250 CG LYS A 17 6.341 2.403 8.699 1.00 0.59 C ATOM 251 CD LYS A 17 6.924 2.703 10.070 1.00 0.70 C ATOM 252 CE LYS A 17 7.940 3.834 10.020 1.00 0.98 C ATOM 253 NZ LYS A 17 8.567 4.073 11.347 1.00 1.40 N ATOM 0 H LYS A 17 6.945 0.664 6.961 1.00 0.31 H new ATOM 0 HA LYS A 17 4.263 -0.154 7.597 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.408 1.703 9.274 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.676 0.501 9.406 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.138 2.100 8.020 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.895 3.307 8.284 1.00 0.59 H new ATOM 0 HD2 LYS A 17 6.120 2.968 10.756 1.00 0.70 H new ATOM 0 HD3 LYS A 17 7.399 1.806 10.467 1.00 0.70 H new ATOM 0 HE2 LYS A 17 8.714 3.595 9.290 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.451 4.747 9.679 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 9.253 4.851 11.272 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 7.832 4.325 12.038 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 9.055 3.210 11.661 1.00 1.40 H new ATOM 267 N PHE A 18 4.629 2.884 6.276 1.00 0.29 N ATOM 268 CA PHE A 18 3.964 3.949 5.495 1.00 0.30 C ATOM 269 C PHE A 18 4.653 5.278 5.797 1.00 0.38 C ATOM 270 O PHE A 18 4.518 5.816 6.888 1.00 0.68 O ATOM 271 CB PHE A 18 2.457 4.088 5.809 1.00 0.27 C ATOM 272 CG PHE A 18 1.530 3.585 4.717 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.479 4.210 3.471 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.716 2.482 4.931 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.638 3.746 2.477 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.125 2.018 3.935 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.182 2.672 2.715 1.00 0.44 C ATOM 0 H PHE A 18 5.593 3.109 6.523 1.00 0.29 H new ATOM 0 HA PHE A 18 4.048 3.677 4.443 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.240 3.545 6.729 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.235 5.138 5.999 1.00 0.27 H new ATOM 0 HD1 PHE A 18 2.106 5.069 3.280 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.739 1.979 5.887 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.626 4.230 1.511 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.737 1.146 4.109 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.870 2.337 1.953 1.00 0.44 H new ATOM 287 N THR A 19 5.428 5.767 4.848 1.00 0.21 N ATOM 288 CA THR A 19 6.174 7.005 5.030 1.00 0.23 C ATOM 289 C THR A 19 5.685 8.097 4.084 1.00 0.22 C ATOM 290 O THR A 19 6.030 9.267 4.237 1.00 0.26 O ATOM 291 CB THR A 19 7.684 6.777 4.832 1.00 0.30 C ATOM 292 OG1 THR A 19 7.922 6.094 3.594 1.00 0.63 O ATOM 293 CG2 THR A 19 8.260 5.965 5.980 1.00 0.43 C ATOM 0 H THR A 19 5.560 5.326 3.938 1.00 0.21 H new ATOM 0 HA THR A 19 6.001 7.335 6.054 1.00 0.23 H new ATOM 0 HB THR A 19 8.175 7.750 4.809 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.885 5.955 3.477 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.328 5.816 5.820 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.105 6.499 6.917 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.761 4.997 6.027 1.00 0.43 H new ATOM 301 N TYR A 20 4.886 7.706 3.100 1.00 0.21 N ATOM 302 CA TYR A 20 4.266 8.660 2.191 1.00 0.23 C ATOM 303 C TYR A 20 2.916 8.140 1.718 1.00 0.21 C ATOM 304 O TYR A 20 2.776 6.966 1.375 1.00 0.22 O ATOM 305 CB TYR A 20 5.168 8.950 0.987 1.00 0.31 C ATOM 306 CG TYR A 20 4.454 9.674 -0.140 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.350 11.060 -0.154 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.867 8.964 -1.180 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.684 11.715 -1.172 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.197 9.612 -2.199 1.00 0.57 C ATOM 311 CZ TYR A 20 3.109 10.985 -2.191 1.00 0.64 C ATOM 312 OH TYR A 20 2.442 11.633 -3.207 1.00 0.77 O ATOM 0 H TYR A 20 4.652 6.731 2.911 1.00 0.21 H new ATOM 0 HA TYR A 20 4.119 9.592 2.736 1.00 0.23 H new ATOM 0 HB2 TYR A 20 6.017 9.550 1.314 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.570 8.010 0.608 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.797 11.634 0.644 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.936 7.886 -1.192 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.614 12.793 -1.170 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.744 9.044 -2.998 1.00 0.57 H new ATOM 0 HH TYR A 20 2.097 10.974 -3.845 1.00 0.77 H new ATOM 322 N CYS A 21 1.930 9.020 1.712 1.00 0.19 N ATOM 323 CA CYS A 21 0.607 8.694 1.215 1.00 0.19 C ATOM 324 C CYS A 21 0.085 9.836 0.363 1.00 0.18 C ATOM 325 O CYS A 21 0.137 10.998 0.773 1.00 0.21 O ATOM 326 CB CYS A 21 -0.352 8.449 2.379 1.00 0.20 C ATOM 327 SG CYS A 21 0.158 7.130 3.496 1.00 0.34 S ATOM 0 H CYS A 21 2.024 9.977 2.051 1.00 0.19 H new ATOM 0 HA CYS A 21 0.673 7.788 0.613 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.456 9.372 2.949 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.337 8.209 1.979 1.00 0.20 H new ATOM 0 HG CYS A 21 0.534 6.096 2.803 1.00 0.34 H new ATOM 333 N ASP A 22 -0.393 9.513 -0.824 1.00 0.17 N ATOM 334 CA ASP A 22 -0.978 10.520 -1.699 1.00 0.18 C ATOM 335 C ASP A 22 -2.304 11.006 -1.126 1.00 0.18 C ATOM 336 O ASP A 22 -3.017 10.249 -0.470 1.00 0.20 O ATOM 337 CB ASP A 22 -1.181 9.961 -3.105 1.00 0.20 C ATOM 338 CG ASP A 22 -1.684 11.000 -4.079 1.00 0.27 C ATOM 339 OD1 ASP A 22 -1.243 12.166 -3.991 1.00 0.67 O ATOM 340 OD2 ASP A 22 -2.528 10.653 -4.924 1.00 0.55 O ATOM 0 H ASP A 22 -0.390 8.567 -1.206 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.291 11.364 -1.763 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.238 9.554 -3.469 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -1.890 9.134 -3.064 1.00 0.20 H new ATOM 345 N ASP A 23 -2.635 12.262 -1.401 1.00 0.20 N ATOM 346 CA ASP A 23 -3.773 12.932 -0.768 1.00 0.23 C ATOM 347 C ASP A 23 -5.084 12.239 -1.117 1.00 0.21 C ATOM 348 O ASP A 23 -6.057 12.303 -0.366 1.00 0.23 O ATOM 349 CB ASP A 23 -3.825 14.401 -1.194 1.00 0.31 C ATOM 350 CG ASP A 23 -2.494 15.104 -1.010 1.00 1.33 C ATOM 351 OD1 ASP A 23 -2.145 15.456 0.136 1.00 2.12 O ATOM 352 OD2 ASP A 23 -1.779 15.297 -2.016 1.00 1.97 O ATOM 0 H ASP A 23 -2.127 12.846 -2.066 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.638 12.877 0.312 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -4.124 14.463 -2.240 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.589 14.918 -0.613 1.00 0.31 H new ATOM 357 N ARG A 24 -5.080 11.553 -2.249 1.00 0.20 N ATOM 358 CA ARG A 24 -6.247 10.835 -2.752 1.00 0.21 C ATOM 359 C ARG A 24 -6.706 9.732 -1.793 1.00 0.19 C ATOM 360 O ARG A 24 -7.864 9.300 -1.830 1.00 0.21 O ATOM 361 CB ARG A 24 -5.927 10.248 -4.121 1.00 0.24 C ATOM 362 CG ARG A 24 -5.693 11.302 -5.194 1.00 0.66 C ATOM 363 CD ARG A 24 -5.192 10.677 -6.483 1.00 1.23 C ATOM 364 NE ARG A 24 -4.883 11.678 -7.507 1.00 1.64 N ATOM 365 CZ ARG A 24 -3.687 11.801 -8.084 1.00 2.49 C ATOM 366 NH1 ARG A 24 -2.648 11.123 -7.612 1.00 3.22 N ATOM 367 NH2 ARG A 24 -3.517 12.651 -9.090 1.00 2.98 N ATOM 0 H ARG A 24 -4.261 11.476 -2.852 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.069 11.545 -2.835 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.040 9.620 -4.040 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.748 9.601 -4.431 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -6.621 11.841 -5.386 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -4.968 12.033 -4.836 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -4.299 10.087 -6.274 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -5.946 9.989 -6.867 1.00 1.23 H new ATOM 0 HE ARG A 24 -5.624 12.317 -7.795 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -2.764 10.507 -6.807 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -1.734 11.218 -8.054 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -4.302 13.211 -9.423 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -2.602 12.744 -9.530 1.00 2.98 H new ATOM 381 N ILE A 25 -5.800 9.275 -0.933 1.00 0.17 N ATOM 382 CA ILE A 25 -6.103 8.184 -0.011 1.00 0.18 C ATOM 383 C ILE A 25 -7.285 8.549 0.894 1.00 0.19 C ATOM 384 O ILE A 25 -8.032 7.679 1.335 1.00 0.21 O ATOM 385 CB ILE A 25 -4.877 7.803 0.854 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.165 6.517 1.620 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.510 8.924 1.818 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.978 5.979 2.383 1.00 0.76 C ATOM 0 H ILE A 25 -4.852 9.642 -0.855 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.370 7.319 -0.617 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.026 7.644 0.191 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.982 6.697 2.319 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.508 5.757 0.918 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.645 8.625 2.411 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.269 9.825 1.254 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.352 9.125 2.480 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.263 5.063 2.901 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.166 5.765 1.688 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.647 6.720 3.111 1.00 0.76 H new ATOM 400 N THR A 26 -7.439 9.844 1.154 1.00 0.20 N ATOM 401 CA THR A 26 -8.581 10.365 1.904 1.00 0.22 C ATOM 402 C THR A 26 -9.900 9.835 1.343 1.00 0.25 C ATOM 403 O THR A 26 -10.775 9.375 2.081 1.00 0.31 O ATOM 404 CB THR A 26 -8.602 11.908 1.862 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.579 12.359 0.500 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.411 12.486 2.604 1.00 0.26 C ATOM 0 H THR A 26 -6.779 10.561 0.853 1.00 0.20 H new ATOM 0 HA THR A 26 -8.472 10.028 2.935 1.00 0.22 H new ATOM 0 HB THR A 26 -9.516 12.250 2.348 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.713 12.139 0.097 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.448 13.574 2.560 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.439 12.164 3.645 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.489 12.136 2.141 1.00 0.26 H new ATOM 414 N GLU A 27 -10.012 9.877 0.026 1.00 0.25 N ATOM 415 CA GLU A 27 -11.230 9.477 -0.657 1.00 0.30 C ATOM 416 C GLU A 27 -11.268 7.970 -0.889 1.00 0.33 C ATOM 417 O GLU A 27 -12.325 7.409 -1.171 1.00 0.43 O ATOM 418 CB GLU A 27 -11.345 10.211 -1.995 1.00 0.38 C ATOM 419 CG GLU A 27 -11.290 11.726 -1.864 1.00 0.55 C ATOM 420 CD GLU A 27 -11.391 12.434 -3.198 1.00 1.43 C ATOM 421 OE1 GLU A 27 -12.524 12.721 -3.640 1.00 1.63 O ATOM 422 OE2 GLU A 27 -10.339 12.696 -3.820 1.00 2.28 O ATOM 0 H GLU A 27 -9.266 10.187 -0.596 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.074 9.743 -0.021 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.539 9.882 -2.651 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.282 9.930 -2.475 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -12.102 12.060 -1.218 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.357 12.010 -1.377 1.00 0.55 H new ATOM 429 N LEU A 28 -10.120 7.313 -0.775 1.00 0.27 N ATOM 430 CA LEU A 28 -10.043 5.888 -1.082 1.00 0.30 C ATOM 431 C LEU A 28 -10.110 5.009 0.173 1.00 0.31 C ATOM 432 O LEU A 28 -10.986 4.155 0.293 1.00 0.35 O ATOM 433 CB LEU A 28 -8.767 5.592 -1.875 1.00 0.30 C ATOM 434 CG LEU A 28 -8.597 6.431 -3.145 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.381 5.975 -3.928 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.847 6.360 -4.010 1.00 0.32 C ATOM 0 H LEU A 28 -9.241 7.735 -0.477 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.915 5.640 -1.687 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.906 5.758 -1.228 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.761 4.537 -2.149 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.446 7.469 -2.849 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.278 6.583 -4.827 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.489 6.084 -3.311 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.501 4.929 -4.210 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.704 6.963 -4.907 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -10.034 5.325 -4.295 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.700 6.741 -3.449 1.00 0.32 H new ATOM 448 N ILE A 29 -9.196 5.230 1.109 1.00 0.28 N ATOM 449 CA ILE A 29 -9.068 4.358 2.277 1.00 0.30 C ATOM 450 C ILE A 29 -9.665 5.025 3.523 1.00 0.29 C ATOM 451 O ILE A 29 -9.808 4.411 4.583 1.00 0.33 O ATOM 452 CB ILE A 29 -7.585 3.979 2.514 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.974 3.455 1.211 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.457 2.930 3.609 1.00 0.34 C ATOM 455 CD1 ILE A 29 -5.501 3.132 1.303 1.00 1.10 C ATOM 0 H ILE A 29 -8.532 6.004 1.085 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.628 3.443 2.083 1.00 0.30 H new ATOM 0 HB ILE A 29 -7.047 4.871 2.836 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.513 2.558 0.905 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -7.123 4.199 0.428 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.406 2.682 3.755 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.870 3.322 4.539 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -8.004 2.033 3.319 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -5.147 2.768 0.338 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -4.948 4.031 1.576 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -5.343 2.364 2.061 1.00 1.10 H new ATOM 467 N GLY A 30 -10.051 6.281 3.370 1.00 0.27 N ATOM 468 CA GLY A 30 -10.723 6.994 4.439 1.00 0.29 C ATOM 469 C GLY A 30 -9.800 7.660 5.445 1.00 0.28 C ATOM 470 O GLY A 30 -10.220 8.594 6.125 1.00 0.32 O ATOM 0 H GLY A 30 -9.910 6.825 2.518 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.367 7.756 3.999 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.371 6.297 4.969 1.00 0.29 H new ATOM 474 N TYR A 31 -8.552 7.214 5.558 1.00 0.28 N ATOM 475 CA TYR A 31 -7.643 7.796 6.524 1.00 0.33 C ATOM 476 C TYR A 31 -7.059 9.084 5.968 1.00 0.34 C ATOM 477 O TYR A 31 -7.408 9.515 4.865 1.00 0.43 O ATOM 478 CB TYR A 31 -6.518 6.823 6.867 1.00 0.38 C ATOM 479 CG TYR A 31 -6.954 5.559 7.579 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.224 5.563 8.942 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.063 4.357 6.893 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.590 4.403 9.601 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.435 3.195 7.541 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.696 3.223 8.897 1.00 0.46 C ATOM 485 OH TYR A 31 -8.053 2.066 9.550 1.00 0.53 O ATOM 0 H TYR A 31 -8.156 6.460 4.997 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.200 8.012 7.436 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -6.007 6.544 5.946 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.790 7.340 7.492 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.147 6.487 9.496 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.853 4.330 5.834 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -7.792 4.422 10.662 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.521 2.270 6.990 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.785 1.630 9.066 1.00 0.53 H new ATOM 495 N HIS A 32 -6.171 9.695 6.722 1.00 0.31 N ATOM 496 CA HIS A 32 -5.465 10.874 6.258 1.00 0.34 C ATOM 497 C HIS A 32 -4.074 10.445 5.798 1.00 0.23 C ATOM 498 O HIS A 32 -3.519 9.504 6.354 1.00 0.23 O ATOM 499 CB HIS A 32 -5.360 11.886 7.406 1.00 0.52 C ATOM 500 CG HIS A 32 -5.799 13.283 7.069 1.00 0.68 C ATOM 501 ND1 HIS A 32 -5.983 13.736 5.785 1.00 1.52 N ATOM 502 CD2 HIS A 32 -6.040 14.345 7.872 1.00 1.52 C ATOM 503 CE1 HIS A 32 -6.308 15.012 5.811 1.00 1.90 C ATOM 504 NE2 HIS A 32 -6.355 15.411 7.066 1.00 1.89 N ATOM 0 H HIS A 32 -5.919 9.395 7.664 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.997 11.343 5.430 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.959 11.526 8.243 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.325 11.920 7.746 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -5.993 14.353 8.951 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.504 15.629 4.947 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -6.586 16.352 7.385 1.00 1.89 H new ATOM 513 N PRO A 33 -3.495 11.080 4.771 1.00 0.24 N ATOM 514 CA PRO A 33 -2.128 10.772 4.346 1.00 0.27 C ATOM 515 C PRO A 33 -1.160 10.807 5.524 1.00 0.25 C ATOM 516 O PRO A 33 -0.421 9.854 5.765 1.00 0.29 O ATOM 517 CB PRO A 33 -1.813 11.889 3.351 1.00 0.34 C ATOM 518 CG PRO A 33 -3.139 12.280 2.801 1.00 0.33 C ATOM 519 CD PRO A 33 -4.110 12.121 3.935 1.00 0.29 C ATOM 0 HA PRO A 33 -2.032 9.774 3.919 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.322 12.730 3.840 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -1.143 11.543 2.564 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -3.125 13.308 2.438 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -3.415 11.648 1.957 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.240 13.053 4.485 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -5.096 11.820 3.580 1.00 0.29 H new ATOM 527 N GLU A 34 -1.255 11.880 6.299 1.00 0.25 N ATOM 528 CA GLU A 34 -0.394 12.111 7.454 1.00 0.30 C ATOM 529 C GLU A 34 -0.767 11.171 8.592 1.00 0.28 C ATOM 530 O GLU A 34 -0.035 11.031 9.572 1.00 0.32 O ATOM 531 CB GLU A 34 -0.508 13.558 7.912 1.00 0.37 C ATOM 532 CG GLU A 34 -1.897 13.915 8.373 1.00 1.01 C ATOM 533 CD GLU A 34 -2.731 14.529 7.274 1.00 1.68 C ATOM 534 OE1 GLU A 34 -2.989 13.844 6.268 1.00 2.13 O ATOM 535 OE2 GLU A 34 -3.133 15.700 7.412 1.00 2.14 O ATOM 0 H GLU A 34 -1.938 12.622 6.143 1.00 0.25 H new ATOM 0 HA GLU A 34 0.638 11.913 7.163 1.00 0.30 H new ATOM 0 HB2 GLU A 34 0.196 13.734 8.725 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.221 14.218 7.093 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -2.394 13.019 8.745 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.831 14.613 9.208 1.00 1.01 H new ATOM 542 N GLU A 35 -1.910 10.525 8.435 1.00 0.26 N ATOM 543 CA GLU A 35 -2.397 9.573 9.425 1.00 0.29 C ATOM 544 C GLU A 35 -1.586 8.296 9.301 1.00 0.29 C ATOM 545 O GLU A 35 -1.066 7.770 10.285 1.00 0.43 O ATOM 546 CB GLU A 35 -3.891 9.251 9.221 1.00 0.34 C ATOM 547 CG GLU A 35 -4.720 9.402 10.484 1.00 0.61 C ATOM 548 CD GLU A 35 -4.325 8.412 11.558 1.00 1.23 C ATOM 549 OE1 GLU A 35 -4.768 7.248 11.487 1.00 1.81 O ATOM 550 OE2 GLU A 35 -3.572 8.794 12.478 1.00 1.71 O ATOM 0 H GLU A 35 -2.522 10.642 7.628 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.286 10.013 10.416 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.294 9.908 8.450 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -3.988 8.230 8.852 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.608 10.415 10.869 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -5.774 9.268 10.241 1.00 0.61 H new ATOM 557 N LEU A 36 -1.490 7.804 8.073 1.00 0.27 N ATOM 558 CA LEU A 36 -0.709 6.611 7.794 1.00 0.29 C ATOM 559 C LEU A 36 0.781 6.885 7.895 1.00 0.32 C ATOM 560 O LEU A 36 1.574 5.957 8.046 1.00 0.46 O ATOM 561 CB LEU A 36 -1.024 6.026 6.416 1.00 0.29 C ATOM 562 CG LEU A 36 -2.418 5.429 6.263 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.424 6.509 5.930 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.425 4.350 5.197 1.00 0.29 C ATOM 0 H LEU A 36 -1.944 8.214 7.256 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.990 5.880 8.552 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.899 6.811 5.670 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.289 5.253 6.192 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.701 4.974 7.212 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.414 6.064 5.824 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.442 7.249 6.730 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.142 6.993 4.995 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.429 3.937 5.104 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.119 4.779 4.243 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.731 3.557 5.477 1.00 0.29 H new ATOM 576 N LEU A 37 1.156 8.154 7.803 1.00 0.41 N ATOM 577 CA LEU A 37 2.557 8.534 7.822 1.00 0.48 C ATOM 578 C LEU A 37 3.235 8.181 9.141 1.00 0.60 C ATOM 579 O LEU A 37 3.261 8.976 10.081 1.00 1.27 O ATOM 580 CB LEU A 37 2.726 10.025 7.542 1.00 0.76 C ATOM 581 CG LEU A 37 2.312 10.493 6.149 1.00 0.33 C ATOM 582 CD1 LEU A 37 2.993 11.804 5.809 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.635 9.439 5.106 1.00 0.94 C ATOM 0 H LEU A 37 0.507 8.936 7.715 1.00 0.41 H new ATOM 0 HA LEU A 37 3.042 7.962 7.031 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.146 10.581 8.278 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.773 10.288 7.696 1.00 0.76 H new ATOM 0 HG LEU A 37 1.233 10.650 6.148 1.00 0.33 H new ATOM 0 HD11 LEU A 37 2.688 12.125 4.813 1.00 0.77 H new ATOM 0 HD12 LEU A 37 2.707 12.562 6.538 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.074 11.669 5.831 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.331 9.796 4.122 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.707 9.244 5.106 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.099 8.519 5.340 1.00 0.94 H new ATOM 595 N GLY A 38 3.747 6.966 9.207 1.00 0.31 N ATOM 596 CA GLY A 38 4.548 6.553 10.331 1.00 0.44 C ATOM 597 C GLY A 38 3.866 5.503 11.174 1.00 0.42 C ATOM 598 O GLY A 38 4.024 5.487 12.393 1.00 0.54 O ATOM 0 H GLY A 38 3.619 6.251 8.491 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.500 6.163 9.971 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.774 7.421 10.950 1.00 0.44 H new ATOM 602 N ARG A 39 3.105 4.617 10.542 1.00 0.34 N ATOM 603 CA ARG A 39 2.429 3.565 11.288 1.00 0.37 C ATOM 604 C ARG A 39 2.463 2.241 10.539 1.00 0.35 C ATOM 605 O ARG A 39 2.179 2.188 9.343 1.00 0.48 O ATOM 606 CB ARG A 39 0.988 3.961 11.570 1.00 0.48 C ATOM 607 CG ARG A 39 0.164 4.167 10.316 1.00 0.48 C ATOM 608 CD ARG A 39 -1.278 4.486 10.662 1.00 0.69 C ATOM 609 NE ARG A 39 -1.949 3.409 11.383 1.00 1.38 N ATOM 610 CZ ARG A 39 -3.214 3.476 11.803 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.924 4.584 11.631 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.765 2.447 12.424 1.00 2.61 N ATOM 0 H ARG A 39 2.943 4.605 9.535 1.00 0.34 H new ATOM 0 HA ARG A 39 2.960 3.435 12.231 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.520 3.189 12.181 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.980 4.880 12.156 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.589 4.979 9.726 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.204 3.270 9.698 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.308 5.393 11.267 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.827 4.697 9.744 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.422 2.558 11.577 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -3.504 5.393 11.175 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -4.890 4.626 11.955 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -3.223 1.598 12.584 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -4.732 2.502 12.743 1.00 2.61 H new ATOM 626 N SER A 40 2.888 1.200 11.250 1.00 0.37 N ATOM 627 CA SER A 40 2.888 -0.173 10.738 1.00 0.43 C ATOM 628 C SER A 40 1.646 -0.496 9.905 1.00 0.39 C ATOM 629 O SER A 40 0.546 -0.674 10.435 1.00 0.43 O ATOM 630 CB SER A 40 3.011 -1.156 11.905 1.00 0.57 C ATOM 631 OG SER A 40 4.174 -0.884 12.675 1.00 1.23 O ATOM 0 H SER A 40 3.244 1.282 12.202 1.00 0.37 H new ATOM 0 HA SER A 40 3.746 -0.271 10.073 1.00 0.43 H new ATOM 0 HB2 SER A 40 2.126 -1.088 12.538 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.052 -2.176 11.524 1.00 0.57 H new ATOM 0 HG SER A 40 4.232 -1.522 13.416 1.00 1.23 H new ATOM 637 N ALA A 41 1.857 -0.550 8.591 1.00 0.35 N ATOM 638 CA ALA A 41 0.804 -0.843 7.627 1.00 0.34 C ATOM 639 C ALA A 41 0.057 -2.107 7.979 1.00 0.33 C ATOM 640 O ALA A 41 -1.165 -2.116 7.999 1.00 0.33 O ATOM 641 CB ALA A 41 1.386 -0.985 6.231 1.00 0.35 C ATOM 0 H ALA A 41 2.770 -0.390 8.165 1.00 0.35 H new ATOM 0 HA ALA A 41 0.104 -0.008 7.655 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.586 -1.204 5.524 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.878 -0.055 5.946 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.112 -1.798 6.220 1.00 0.35 H new ATOM 647 N TYR A 42 0.805 -3.158 8.287 1.00 0.37 N ATOM 648 CA TYR A 42 0.259 -4.508 8.444 1.00 0.42 C ATOM 649 C TYR A 42 -0.860 -4.601 9.490 1.00 0.47 C ATOM 650 O TYR A 42 -1.554 -5.613 9.567 1.00 0.55 O ATOM 651 CB TYR A 42 1.388 -5.488 8.772 1.00 0.47 C ATOM 652 CG TYR A 42 2.383 -5.661 7.641 1.00 0.54 C ATOM 653 CD1 TYR A 42 2.169 -6.605 6.643 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.530 -4.881 7.569 1.00 0.67 C ATOM 655 CE1 TYR A 42 3.070 -6.766 5.609 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.437 -5.036 6.536 1.00 0.84 C ATOM 657 CZ TYR A 42 4.201 -5.980 5.559 1.00 0.91 C ATOM 658 OH TYR A 42 5.098 -6.140 4.527 1.00 1.14 O ATOM 0 H TYR A 42 1.812 -3.102 8.437 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.201 -4.774 7.492 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.915 -5.139 9.660 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.957 -6.458 9.018 1.00 0.47 H new ATOM 0 HD1 TYR A 42 1.284 -7.222 6.677 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.717 -4.141 8.333 1.00 0.67 H new ATOM 0 HE1 TYR A 42 2.889 -7.505 4.842 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.324 -4.422 6.495 1.00 0.84 H new ATOM 0 HH TYR A 42 5.052 -5.364 3.930 1.00 1.14 H new ATOM 668 N GLU A 43 -1.054 -3.550 10.280 1.00 0.48 N ATOM 669 CA GLU A 43 -2.132 -3.524 11.263 1.00 0.56 C ATOM 670 C GLU A 43 -3.496 -3.351 10.582 1.00 0.57 C ATOM 671 O GLU A 43 -4.541 -3.535 11.207 1.00 1.01 O ATOM 672 CB GLU A 43 -1.907 -2.387 12.258 1.00 0.65 C ATOM 673 CG GLU A 43 -0.645 -2.538 13.096 1.00 0.95 C ATOM 674 CD GLU A 43 -0.721 -3.689 14.082 1.00 1.72 C ATOM 675 OE1 GLU A 43 -1.729 -4.423 14.075 1.00 1.89 O ATOM 676 OE2 GLU A 43 0.227 -3.858 14.881 1.00 2.57 O ATOM 0 H GLU A 43 -0.480 -2.707 10.259 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.129 -4.477 11.792 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -1.858 -1.445 11.712 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -2.768 -2.325 12.924 1.00 0.65 H new ATOM 0 HG2 GLU A 43 0.208 -2.690 12.434 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.465 -1.611 13.641 1.00 0.95 H new ATOM 683 N PHE A 44 -3.469 -3.007 9.299 1.00 0.40 N ATOM 684 CA PHE A 44 -4.683 -2.749 8.521 1.00 0.38 C ATOM 685 C PHE A 44 -4.422 -2.998 7.043 1.00 0.30 C ATOM 686 O PHE A 44 -5.314 -2.871 6.202 1.00 0.40 O ATOM 687 CB PHE A 44 -5.145 -1.300 8.730 1.00 0.48 C ATOM 688 CG PHE A 44 -4.104 -0.268 8.377 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.185 0.161 9.322 1.00 0.50 C ATOM 690 CD2 PHE A 44 -4.041 0.267 7.098 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.226 1.103 9.000 1.00 0.56 C ATOM 692 CE2 PHE A 44 -3.083 1.208 6.772 1.00 0.77 C ATOM 693 CZ PHE A 44 -2.175 1.625 7.724 1.00 0.70 C ATOM 0 H PHE A 44 -2.606 -2.898 8.766 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.467 -3.426 8.862 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.036 -1.123 8.128 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.434 -1.168 9.773 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.219 -0.246 10.322 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.749 -0.056 6.349 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.517 1.430 9.747 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -3.045 1.617 5.773 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.425 2.360 7.470 1.00 0.70 H new ATOM 703 N TYR A 45 -3.180 -3.339 6.736 1.00 0.29 N ATOM 704 CA TYR A 45 -2.739 -3.631 5.385 1.00 0.28 C ATOM 705 C TYR A 45 -3.335 -4.931 4.877 1.00 0.30 C ATOM 706 O TYR A 45 -2.618 -5.915 4.698 1.00 0.37 O ATOM 707 CB TYR A 45 -1.215 -3.740 5.370 1.00 0.34 C ATOM 708 CG TYR A 45 -0.556 -3.147 4.153 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.944 -1.908 3.674 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.465 -3.817 3.494 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.338 -1.346 2.572 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.083 -3.261 2.390 1.00 0.68 C ATOM 713 CZ TYR A 45 0.677 -2.023 1.930 1.00 0.68 C ATOM 714 OH TYR A 45 1.293 -1.457 0.835 1.00 0.85 O ATOM 0 H TYR A 45 -2.439 -3.421 7.432 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.073 -2.824 4.733 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.820 -3.246 6.258 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -0.938 -4.792 5.440 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.737 -1.371 4.174 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.781 -4.787 3.849 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.657 -0.379 2.212 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.879 -3.792 1.889 1.00 0.68 H new ATOM 0 HH TYR A 45 1.823 -0.684 1.121 1.00 0.85 H new ATOM 724 N HIS A 46 -4.645 -4.916 4.643 1.00 0.28 N ATOM 725 CA HIS A 46 -5.369 -6.054 4.070 1.00 0.31 C ATOM 726 C HIS A 46 -5.413 -7.204 5.066 1.00 0.37 C ATOM 727 O HIS A 46 -4.426 -7.896 5.246 1.00 0.57 O ATOM 728 CB HIS A 46 -4.724 -6.525 2.755 1.00 0.37 C ATOM 729 CG HIS A 46 -4.043 -5.429 1.999 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.694 -5.430 1.749 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.508 -4.258 1.523 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.356 -4.301 1.160 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.437 -3.569 1.009 1.00 0.43 N ATOM 0 H HIS A 46 -5.239 -4.112 4.845 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.385 -5.726 3.851 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.999 -7.309 2.975 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.492 -6.970 2.122 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.534 -3.923 1.542 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.358 -4.024 0.853 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.474 -2.644 0.581 1.00 0.43 H new ATOM 742 N ALA A 47 -6.555 -7.408 5.704 1.00 0.39 N ATOM 743 CA ALA A 47 -6.664 -8.406 6.770 1.00 0.44 C ATOM 744 C ALA A 47 -6.152 -9.779 6.333 1.00 0.44 C ATOM 745 O ALA A 47 -5.205 -10.307 6.910 1.00 0.48 O ATOM 746 CB ALA A 47 -8.101 -8.517 7.242 1.00 0.57 C ATOM 0 H ALA A 47 -7.418 -6.901 5.508 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.034 -8.067 7.592 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.167 -9.262 8.034 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.434 -7.552 7.623 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.736 -8.817 6.408 1.00 0.57 H new ATOM 752 N LEU A 48 -6.770 -10.346 5.310 1.00 0.48 N ATOM 753 CA LEU A 48 -6.380 -11.660 4.817 1.00 0.53 C ATOM 754 C LEU A 48 -5.294 -11.574 3.745 1.00 0.48 C ATOM 755 O LEU A 48 -4.618 -12.563 3.463 1.00 0.52 O ATOM 756 CB LEU A 48 -7.590 -12.435 4.280 1.00 0.67 C ATOM 757 CG LEU A 48 -8.358 -11.775 3.132 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.158 -12.822 2.373 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.289 -10.688 3.656 1.00 0.99 C ATOM 0 H LEU A 48 -7.545 -9.918 4.803 1.00 0.48 H new ATOM 0 HA LEU A 48 -5.967 -12.201 5.668 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.249 -13.415 3.946 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.283 -12.603 5.104 1.00 0.67 H new ATOM 0 HG LEU A 48 -7.637 -11.314 2.457 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -9.702 -12.344 1.558 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -8.481 -13.573 1.966 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -9.866 -13.300 3.050 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -9.824 -10.234 2.822 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.005 -11.126 4.351 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -8.705 -9.925 4.171 1.00 0.99 H new ATOM 771 N ASP A 49 -5.100 -10.396 3.161 1.00 0.45 N ATOM 772 CA ASP A 49 -4.160 -10.266 2.047 1.00 0.45 C ATOM 773 C ASP A 49 -2.808 -9.785 2.552 1.00 0.41 C ATOM 774 O ASP A 49 -1.847 -9.692 1.791 1.00 0.49 O ATOM 775 CB ASP A 49 -4.664 -9.277 0.994 1.00 0.55 C ATOM 776 CG ASP A 49 -6.130 -9.435 0.671 1.00 0.91 C ATOM 777 OD1 ASP A 49 -6.476 -10.302 -0.153 1.00 1.07 O ATOM 778 OD2 ASP A 49 -6.936 -8.663 1.225 1.00 1.64 O ATOM 0 H ASP A 49 -5.569 -9.532 3.432 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.066 -11.251 1.590 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -4.485 -8.261 1.346 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -4.083 -9.404 0.080 1.00 0.55 H new ATOM 783 N SER A 50 -2.749 -9.442 3.832 1.00 0.36 N ATOM 784 CA SER A 50 -1.496 -9.043 4.473 1.00 0.35 C ATOM 785 C SER A 50 -0.431 -10.122 4.298 1.00 0.35 C ATOM 786 O SER A 50 0.740 -9.819 4.080 1.00 0.41 O ATOM 787 CB SER A 50 -1.709 -8.759 5.963 1.00 0.37 C ATOM 788 OG SER A 50 -0.541 -8.214 6.552 1.00 1.25 O ATOM 0 H SER A 50 -3.558 -9.431 4.453 1.00 0.36 H new ATOM 0 HA SER A 50 -1.153 -8.128 3.989 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.541 -8.066 6.089 1.00 0.37 H new ATOM 0 HB3 SER A 50 -1.982 -9.681 6.476 1.00 0.37 H new ATOM 0 HG SER A 50 -0.704 -8.041 7.503 1.00 1.25 H new ATOM 794 N GLU A 51 -0.845 -11.381 4.372 1.00 0.38 N ATOM 795 CA GLU A 51 0.068 -12.498 4.168 1.00 0.45 C ATOM 796 C GLU A 51 0.613 -12.479 2.744 1.00 0.43 C ATOM 797 O GLU A 51 1.801 -12.717 2.514 1.00 0.47 O ATOM 798 CB GLU A 51 -0.652 -13.815 4.474 1.00 0.55 C ATOM 799 CG GLU A 51 0.190 -15.065 4.268 1.00 1.32 C ATOM 800 CD GLU A 51 0.033 -15.664 2.885 1.00 1.99 C ATOM 801 OE1 GLU A 51 -0.637 -15.036 2.040 1.00 2.68 O ATOM 802 OE2 GLU A 51 0.578 -16.755 2.634 1.00 2.49 O ATOM 0 H GLU A 51 -1.807 -11.654 4.572 1.00 0.38 H new ATOM 0 HA GLU A 51 0.915 -12.406 4.848 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -0.997 -13.793 5.508 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -1.539 -13.883 3.844 1.00 0.55 H new ATOM 0 HG2 GLU A 51 1.239 -14.821 4.435 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -0.087 -15.810 5.014 1.00 1.32 H new ATOM 809 N ASN A 52 -0.259 -12.170 1.793 1.00 0.43 N ATOM 810 CA ASN A 52 0.146 -12.034 0.400 1.00 0.48 C ATOM 811 C ASN A 52 1.082 -10.848 0.236 1.00 0.41 C ATOM 812 O ASN A 52 2.007 -10.884 -0.571 1.00 0.44 O ATOM 813 CB ASN A 52 -1.074 -11.883 -0.516 1.00 0.56 C ATOM 814 CG ASN A 52 -1.470 -13.186 -1.190 1.00 1.11 C ATOM 815 OD1 ASN A 52 -1.991 -13.185 -2.307 1.00 1.96 O ATOM 816 ND2 ASN A 52 -1.233 -14.304 -0.521 1.00 1.31 N ATOM 0 H ASN A 52 -1.252 -12.009 1.961 1.00 0.43 H new ATOM 0 HA ASN A 52 0.675 -12.942 0.110 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.916 -11.510 0.067 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -0.859 -11.135 -1.279 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -1.484 -15.205 -0.928 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -0.800 -14.264 0.402 1.00 1.31 H new ATOM 823 N MET A 53 0.853 -9.802 1.020 1.00 0.35 N ATOM 824 CA MET A 53 1.721 -8.633 1.002 1.00 0.35 C ATOM 825 C MET A 53 3.020 -8.910 1.745 1.00 0.34 C ATOM 826 O MET A 53 4.034 -8.264 1.496 1.00 0.35 O ATOM 827 CB MET A 53 1.022 -7.423 1.608 1.00 0.42 C ATOM 828 CG MET A 53 -0.247 -7.032 0.876 1.00 0.96 C ATOM 829 SD MET A 53 0.018 -6.678 -0.873 1.00 1.28 S ATOM 830 CE MET A 53 1.226 -5.358 -0.792 1.00 0.79 C ATOM 0 H MET A 53 0.074 -9.740 1.676 1.00 0.35 H new ATOM 0 HA MET A 53 1.955 -8.412 -0.040 1.00 0.35 H new ATOM 0 HB2 MET A 53 0.781 -7.636 2.650 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.709 -6.577 1.606 1.00 0.42 H new ATOM 0 HG2 MET A 53 -0.975 -7.837 0.970 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.679 -6.154 1.356 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.352 -4.919 -1.782 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.882 -4.592 -0.096 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.180 -5.758 -0.448 1.00 0.79 H new ATOM 840 N THR A 54 2.982 -9.861 2.665 1.00 0.37 N ATOM 841 CA THR A 54 4.195 -10.346 3.299 1.00 0.45 C ATOM 842 C THR A 54 5.065 -11.007 2.242 1.00 0.45 C ATOM 843 O THR A 54 6.241 -10.681 2.092 1.00 0.48 O ATOM 844 CB THR A 54 3.886 -11.349 4.431 1.00 0.55 C ATOM 845 OG1 THR A 54 3.014 -10.745 5.397 1.00 0.57 O ATOM 846 CG2 THR A 54 5.167 -11.808 5.115 1.00 0.72 C ATOM 0 H THR A 54 2.125 -10.311 2.988 1.00 0.37 H new ATOM 0 HA THR A 54 4.717 -9.501 3.748 1.00 0.45 H new ATOM 0 HB THR A 54 3.396 -12.218 3.991 1.00 0.55 H new ATOM 0 HG1 THR A 54 2.175 -10.484 4.963 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.923 -12.514 5.909 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.816 -12.293 4.385 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.681 -10.946 5.541 1.00 0.72 H new ATOM 854 N LYS A 55 4.456 -11.916 1.485 1.00 0.46 N ATOM 855 CA LYS A 55 5.106 -12.520 0.329 1.00 0.52 C ATOM 856 C LYS A 55 5.494 -11.457 -0.696 1.00 0.41 C ATOM 857 O LYS A 55 6.485 -11.606 -1.406 1.00 0.42 O ATOM 858 CB LYS A 55 4.181 -13.551 -0.322 1.00 0.67 C ATOM 859 CG LYS A 55 4.745 -14.963 -0.324 1.00 0.95 C ATOM 860 CD LYS A 55 5.014 -15.458 1.087 1.00 1.14 C ATOM 861 CE LYS A 55 3.731 -15.602 1.894 1.00 1.37 C ATOM 862 NZ LYS A 55 2.819 -16.631 1.323 1.00 1.49 N ATOM 0 H LYS A 55 3.508 -12.251 1.654 1.00 0.46 H new ATOM 0 HA LYS A 55 6.012 -13.017 0.674 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.226 -13.552 0.203 1.00 0.67 H new ATOM 0 HB3 LYS A 55 3.980 -13.248 -1.350 1.00 0.67 H new ATOM 0 HG2 LYS A 55 4.044 -15.635 -0.819 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.670 -14.986 -0.901 1.00 0.95 H new ATOM 0 HD2 LYS A 55 5.525 -16.420 1.043 1.00 1.14 H new ATOM 0 HD3 LYS A 55 5.685 -14.764 1.593 1.00 1.14 H new ATOM 0 HE2 LYS A 55 3.978 -15.868 2.922 1.00 1.37 H new ATOM 0 HE3 LYS A 55 3.216 -14.642 1.929 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 2.112 -16.903 2.036 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 2.337 -16.242 0.488 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 3.370 -17.468 1.046 1.00 1.49 H new ATOM 876 N SER A 56 4.702 -10.394 -0.775 1.00 0.36 N ATOM 877 CA SER A 56 4.981 -9.287 -1.681 1.00 0.34 C ATOM 878 C SER A 56 6.242 -8.544 -1.241 1.00 0.28 C ATOM 879 O SER A 56 7.161 -8.366 -2.029 1.00 0.28 O ATOM 880 CB SER A 56 3.778 -8.335 -1.742 1.00 0.39 C ATOM 881 OG SER A 56 3.948 -7.335 -2.730 1.00 1.26 O ATOM 0 H SER A 56 3.856 -10.276 -0.218 1.00 0.36 H new ATOM 0 HA SER A 56 5.153 -9.685 -2.681 1.00 0.34 H new ATOM 0 HB2 SER A 56 2.874 -8.905 -1.954 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.637 -7.864 -0.769 1.00 0.39 H new ATOM 0 HG SER A 56 3.245 -6.659 -2.636 1.00 1.26 H new ATOM 887 N HIS A 57 6.294 -8.141 0.028 1.00 0.29 N ATOM 888 CA HIS A 57 7.462 -7.451 0.581 1.00 0.30 C ATOM 889 C HIS A 57 8.700 -8.342 0.504 1.00 0.31 C ATOM 890 O HIS A 57 9.794 -7.878 0.197 1.00 0.34 O ATOM 891 CB HIS A 57 7.190 -7.034 2.037 1.00 0.35 C ATOM 892 CG HIS A 57 8.348 -6.365 2.723 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.767 -6.706 3.987 1.00 0.53 N ATOM 894 CD2 HIS A 57 9.165 -5.362 2.323 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.791 -5.949 4.331 1.00 0.51 C ATOM 896 NE2 HIS A 57 10.054 -5.124 3.337 1.00 0.39 N ATOM 0 H HIS A 57 5.537 -8.281 0.697 1.00 0.29 H new ATOM 0 HA HIS A 57 7.649 -6.555 -0.012 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.335 -6.358 2.054 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.908 -7.919 2.608 1.00 0.35 H new ATOM 0 HD2 HIS A 57 9.123 -4.844 1.376 1.00 0.34 H new ATOM 0 HE1 HIS A 57 10.324 -5.997 5.269 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.796 -4.425 3.325 1.00 0.39 H new ATOM 905 N GLN A 58 8.499 -9.624 0.765 1.00 0.32 N ATOM 906 CA GLN A 58 9.547 -10.617 0.723 1.00 0.37 C ATOM 907 C GLN A 58 10.062 -10.830 -0.705 1.00 0.33 C ATOM 908 O GLN A 58 11.235 -11.134 -0.916 1.00 0.37 O ATOM 909 CB GLN A 58 8.946 -11.876 1.304 1.00 0.46 C ATOM 910 CG GLN A 58 9.633 -13.152 0.935 1.00 1.24 C ATOM 911 CD GLN A 58 8.824 -14.318 1.421 1.00 1.77 C ATOM 912 OE1 GLN A 58 8.226 -14.272 2.495 1.00 2.36 O ATOM 913 NE2 GLN A 58 8.733 -15.337 0.615 1.00 2.26 N ATOM 0 H GLN A 58 7.586 -10.004 1.015 1.00 0.32 H new ATOM 0 HA GLN A 58 10.419 -10.302 1.297 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.943 -11.787 2.390 1.00 0.46 H new ATOM 0 HB3 GLN A 58 7.905 -11.940 0.986 1.00 0.46 H new ATOM 0 HG2 GLN A 58 9.759 -13.209 -0.146 1.00 1.24 H new ATOM 0 HG3 GLN A 58 10.630 -13.180 1.374 1.00 1.24 H new ATOM 0 HE21 GLN A 58 9.245 -15.337 -0.267 1.00 2.26 H new ATOM 0 HE22 GLN A 58 8.150 -16.135 0.866 1.00 2.26 H new ATOM 922 N ASN A 59 9.183 -10.634 -1.676 1.00 0.28 N ATOM 923 CA ASN A 59 9.540 -10.769 -3.085 1.00 0.28 C ATOM 924 C ASN A 59 10.141 -9.467 -3.595 1.00 0.29 C ATOM 925 O ASN A 59 11.185 -9.445 -4.239 1.00 0.34 O ATOM 926 CB ASN A 59 8.306 -11.137 -3.913 1.00 0.30 C ATOM 927 CG ASN A 59 8.577 -11.159 -5.406 1.00 0.38 C ATOM 928 OD1 ASN A 59 9.004 -12.174 -5.956 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.318 -10.041 -6.077 1.00 0.83 N ATOM 0 H ASN A 59 8.209 -10.379 -1.514 1.00 0.28 H new ATOM 0 HA ASN A 59 10.278 -11.565 -3.185 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.945 -12.117 -3.601 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.510 -10.423 -3.705 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.472 -10.004 -7.085 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.965 -9.221 -5.584 1.00 0.83 H new ATOM 936 N LEU A 60 9.466 -8.381 -3.263 1.00 0.27 N ATOM 937 CA LEU A 60 9.831 -7.046 -3.708 1.00 0.28 C ATOM 938 C LEU A 60 11.200 -6.645 -3.170 1.00 0.34 C ATOM 939 O LEU A 60 11.935 -5.896 -3.816 1.00 0.43 O ATOM 940 CB LEU A 60 8.755 -6.063 -3.227 1.00 0.25 C ATOM 941 CG LEU A 60 9.006 -4.588 -3.524 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.134 -4.355 -5.013 1.00 0.29 C ATOM 943 CD2 LEU A 60 7.891 -3.730 -2.946 1.00 0.33 C ATOM 0 H LEU A 60 8.637 -8.401 -2.669 1.00 0.27 H new ATOM 0 HA LEU A 60 9.892 -7.029 -4.796 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.805 -6.347 -3.681 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.641 -6.181 -2.149 1.00 0.25 H new ATOM 0 HG LEU A 60 9.945 -4.301 -3.051 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.313 -3.296 -5.202 1.00 0.29 H new ATOM 0 HD12 LEU A 60 9.968 -4.939 -5.402 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.214 -4.662 -5.510 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.087 -2.681 -3.168 1.00 0.33 H new ATOM 0 HD22 LEU A 60 6.939 -4.023 -3.390 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.846 -3.870 -1.866 1.00 0.33 H new ATOM 955 N CYS A 61 11.531 -7.172 -1.997 1.00 0.36 N ATOM 956 CA CYS A 61 12.755 -6.816 -1.289 1.00 0.48 C ATOM 957 C CYS A 61 13.998 -6.962 -2.170 1.00 0.58 C ATOM 958 O CYS A 61 14.834 -6.058 -2.213 1.00 0.92 O ATOM 959 CB CYS A 61 12.903 -7.672 -0.030 1.00 0.54 C ATOM 960 SG CYS A 61 14.173 -7.083 1.117 1.00 1.20 S ATOM 0 H CYS A 61 10.957 -7.860 -1.509 1.00 0.36 H new ATOM 0 HA CYS A 61 12.674 -5.765 -1.011 1.00 0.48 H new ATOM 0 HB2 CYS A 61 11.945 -7.704 0.490 1.00 0.54 H new ATOM 0 HB3 CYS A 61 13.140 -8.694 -0.324 1.00 0.54 H new ATOM 0 HG CYS A 61 14.222 -7.869 2.151 1.00 1.20 H new ATOM 966 N THR A 62 14.124 -8.076 -2.884 1.00 0.54 N ATOM 967 CA THR A 62 15.333 -8.316 -3.661 1.00 0.76 C ATOM 968 C THR A 62 15.028 -8.584 -5.130 1.00 0.60 C ATOM 969 O THR A 62 15.927 -8.844 -5.930 1.00 0.82 O ATOM 970 CB THR A 62 16.150 -9.479 -3.052 1.00 1.11 C ATOM 971 OG1 THR A 62 16.245 -9.303 -1.630 1.00 1.27 O ATOM 972 CG2 THR A 62 17.558 -9.544 -3.631 1.00 1.45 C ATOM 0 H THR A 62 13.420 -8.812 -2.941 1.00 0.54 H new ATOM 0 HA THR A 62 15.931 -7.406 -3.617 1.00 0.76 H new ATOM 0 HB THR A 62 15.634 -10.408 -3.294 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.761 -10.041 -1.243 1.00 1.27 H new ATOM 0 HG21 THR A 62 18.100 -10.374 -3.178 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.501 -9.693 -4.709 1.00 1.45 H new ATOM 0 HG23 THR A 62 18.081 -8.611 -3.421 1.00 1.45 H new ATOM 980 N LYS A 63 13.772 -8.496 -5.504 1.00 0.50 N ATOM 981 CA LYS A 63 13.438 -8.542 -6.911 1.00 0.43 C ATOM 982 C LYS A 63 13.351 -7.139 -7.494 1.00 0.39 C ATOM 983 O LYS A 63 13.390 -6.954 -8.710 1.00 0.39 O ATOM 984 CB LYS A 63 12.146 -9.296 -7.146 1.00 0.45 C ATOM 985 CG LYS A 63 12.293 -10.800 -6.985 1.00 0.54 C ATOM 986 CD LYS A 63 13.443 -11.329 -7.828 1.00 0.68 C ATOM 987 CE LYS A 63 13.608 -12.831 -7.682 1.00 0.85 C ATOM 988 NZ LYS A 63 14.830 -13.319 -8.369 1.00 1.76 N ATOM 0 H LYS A 63 12.979 -8.394 -4.870 1.00 0.50 H new ATOM 0 HA LYS A 63 14.238 -9.078 -7.422 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.390 -8.935 -6.449 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.783 -9.078 -8.151 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.465 -11.042 -5.936 1.00 0.54 H new ATOM 0 HG3 LYS A 63 11.366 -11.293 -7.278 1.00 0.54 H new ATOM 0 HD2 LYS A 63 13.268 -11.083 -8.875 1.00 0.68 H new ATOM 0 HD3 LYS A 63 14.367 -10.832 -7.534 1.00 0.68 H new ATOM 0 HE2 LYS A 63 13.657 -13.091 -6.624 1.00 0.85 H new ATOM 0 HE3 LYS A 63 12.733 -13.335 -8.094 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 14.909 -14.349 -8.247 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 14.772 -13.094 -9.383 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 15.667 -12.857 -7.959 1.00 1.76 H new ATOM 1002 N GLY A 64 13.219 -6.153 -6.617 1.00 0.40 N ATOM 1003 CA GLY A 64 13.252 -4.768 -7.041 1.00 0.42 C ATOM 1004 C GLY A 64 11.904 -4.253 -7.508 1.00 0.37 C ATOM 1005 O GLY A 64 11.712 -3.043 -7.637 1.00 0.41 O ATOM 0 H GLY A 64 13.089 -6.289 -5.615 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.603 -4.150 -6.214 1.00 0.42 H new ATOM 0 HA3 GLY A 64 13.975 -4.660 -7.850 1.00 0.42 H new ATOM 1009 N GLN A 65 10.958 -5.160 -7.717 1.00 0.34 N ATOM 1010 CA GLN A 65 9.650 -4.793 -8.243 1.00 0.33 C ATOM 1011 C GLN A 65 8.666 -5.946 -8.059 1.00 0.34 C ATOM 1012 O GLN A 65 9.066 -7.107 -7.971 1.00 0.43 O ATOM 1013 CB GLN A 65 9.748 -4.394 -9.718 1.00 0.41 C ATOM 1014 CG GLN A 65 8.478 -3.753 -10.250 1.00 0.49 C ATOM 1015 CD GLN A 65 8.640 -3.173 -11.635 1.00 0.81 C ATOM 1016 OE1 GLN A 65 9.427 -3.662 -12.443 1.00 1.37 O ATOM 1017 NE2 GLN A 65 7.910 -2.105 -11.908 1.00 1.32 N ATOM 0 H GLN A 65 11.073 -6.156 -7.530 1.00 0.34 H new ATOM 0 HA GLN A 65 9.283 -3.931 -7.686 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.579 -3.700 -9.846 1.00 0.41 H new ATOM 0 HB3 GLN A 65 9.978 -5.278 -10.312 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.682 -4.497 -10.266 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.163 -2.964 -9.567 1.00 0.49 H new ATOM 0 HE21 GLN A 65 7.269 -1.733 -11.207 1.00 1.32 H new ATOM 0 HE22 GLN A 65 7.988 -1.654 -12.819 1.00 1.32 H new ATOM 1026 N VAL A 66 7.386 -5.612 -7.975 1.00 0.32 N ATOM 1027 CA VAL A 66 6.338 -6.591 -7.729 1.00 0.35 C ATOM 1028 C VAL A 66 5.004 -6.060 -8.256 1.00 0.33 C ATOM 1029 O VAL A 66 4.820 -4.852 -8.357 1.00 0.32 O ATOM 1030 CB VAL A 66 6.229 -6.888 -6.211 1.00 0.36 C ATOM 1031 CG1 VAL A 66 5.920 -5.625 -5.433 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.178 -7.932 -5.914 1.00 0.44 C ATOM 0 H VAL A 66 7.046 -4.656 -8.075 1.00 0.32 H new ATOM 0 HA VAL A 66 6.586 -7.516 -8.249 1.00 0.35 H new ATOM 0 HB VAL A 66 7.197 -7.278 -5.897 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.849 -5.860 -4.371 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.715 -4.897 -5.591 1.00 0.31 H new ATOM 0 HG13 VAL A 66 4.973 -5.208 -5.777 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.135 -8.110 -4.839 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.207 -7.580 -6.263 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.433 -8.860 -6.425 1.00 0.44 H new ATOM 1042 N VAL A 67 4.090 -6.946 -8.627 1.00 0.39 N ATOM 1043 CA VAL A 67 2.759 -6.523 -9.048 1.00 0.45 C ATOM 1044 C VAL A 67 1.686 -7.359 -8.355 1.00 0.49 C ATOM 1045 O VAL A 67 1.334 -8.450 -8.814 1.00 0.92 O ATOM 1046 CB VAL A 67 2.566 -6.624 -10.582 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.207 -6.072 -10.989 1.00 0.91 C ATOM 1048 CG2 VAL A 67 3.677 -5.897 -11.325 1.00 1.16 C ATOM 0 H VAL A 67 4.242 -7.954 -8.646 1.00 0.39 H new ATOM 0 HA VAL A 67 2.660 -5.476 -8.761 1.00 0.45 H new ATOM 0 HB VAL A 67 2.610 -7.678 -10.855 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.091 -6.152 -12.070 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.420 -6.643 -10.496 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.136 -5.025 -10.693 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.515 -5.985 -12.399 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.675 -4.844 -11.043 1.00 1.16 H new ATOM 0 HG23 VAL A 67 4.639 -6.340 -11.066 1.00 1.16 H new ATOM 1058 N SER A 68 1.199 -6.862 -7.228 1.00 0.52 N ATOM 1059 CA SER A 68 0.121 -7.509 -6.499 1.00 0.54 C ATOM 1060 C SER A 68 -1.222 -7.153 -7.120 1.00 0.53 C ATOM 1061 O SER A 68 -1.373 -6.080 -7.707 1.00 0.94 O ATOM 1062 CB SER A 68 0.175 -7.102 -5.026 1.00 0.58 C ATOM 1063 OG SER A 68 1.435 -7.440 -4.461 1.00 1.39 O ATOM 0 H SER A 68 1.539 -6.003 -6.795 1.00 0.52 H new ATOM 0 HA SER A 68 0.242 -8.591 -6.560 1.00 0.54 H new ATOM 0 HB2 SER A 68 0.004 -6.030 -4.933 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.622 -7.601 -4.475 1.00 0.58 H new ATOM 0 HG SER A 68 1.454 -7.171 -3.519 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.197 -8.041 -6.985 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.470 -7.811 -7.599 1.00 0.43 C ATOM 1071 C GLY A 69 -4.483 -7.290 -6.614 1.00 0.38 C ATOM 1072 O GLY A 69 -4.136 -6.921 -5.491 1.00 0.42 O ATOM 0 H GLY A 69 -2.120 -8.912 -6.460 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.356 -7.097 -8.414 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.835 -8.740 -8.038 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.728 -7.280 -7.050 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.855 -6.867 -6.248 1.00 0.43 C ATOM 1078 C GLN A 70 -6.864 -7.566 -4.889 1.00 0.35 C ATOM 1079 O GLN A 70 -7.034 -8.785 -4.792 1.00 0.36 O ATOM 1080 CB GLN A 70 -8.127 -7.216 -7.011 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.095 -6.780 -8.466 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.379 -7.088 -9.210 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.094 -8.033 -8.877 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -9.660 -6.312 -10.246 1.00 1.31 N ATOM 0 H GLN A 70 -5.986 -7.566 -7.994 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.789 -5.795 -6.064 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.285 -8.293 -6.965 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.978 -6.747 -6.517 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.904 -5.708 -8.513 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.264 -7.275 -8.969 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -9.040 -5.539 -10.487 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -10.497 -6.487 -10.802 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.638 -6.775 -3.858 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.685 -7.235 -2.480 1.00 0.36 C ATOM 1095 C TYR A 71 -7.726 -6.422 -1.721 1.00 0.32 C ATOM 1096 O TYR A 71 -8.299 -5.490 -2.283 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.308 -7.096 -1.814 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.696 -5.709 -1.907 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.410 -4.574 -1.530 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.394 -5.536 -2.364 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.853 -3.320 -1.607 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.829 -4.277 -2.437 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.567 -3.175 -2.058 1.00 0.54 C ATOM 1104 OH TYR A 71 -3.007 -1.926 -2.105 1.00 0.68 O ATOM 0 H TYR A 71 -6.414 -5.784 -3.953 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.960 -8.290 -2.462 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.399 -7.369 -0.763 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.624 -7.811 -2.271 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.422 -4.682 -1.170 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.817 -6.397 -2.666 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.426 -2.453 -1.313 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.815 -4.157 -2.789 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.567 -1.797 -2.971 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.970 -6.746 -0.460 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.912 -5.961 0.325 1.00 0.33 C ATOM 1116 C ARG A 72 -8.151 -5.104 1.320 1.00 0.27 C ATOM 1117 O ARG A 72 -7.545 -5.632 2.246 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.891 -6.846 1.101 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.526 -7.974 0.305 1.00 0.65 C ATOM 1120 CD ARG A 72 -9.728 -9.263 0.449 1.00 1.06 C ATOM 1121 NE ARG A 72 -10.488 -10.456 0.053 1.00 1.10 N ATOM 1122 CZ ARG A 72 -11.563 -10.925 0.702 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -12.083 -10.257 1.726 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -12.120 -12.066 0.316 1.00 1.52 N ATOM 0 H ARG A 72 -7.540 -7.529 0.033 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.480 -5.344 -0.371 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.366 -7.277 1.954 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.685 -6.215 1.501 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.548 -8.135 0.648 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -10.583 -7.694 -0.747 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -8.826 -9.195 -0.159 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -9.407 -9.371 1.485 1.00 1.06 H new ATOM 0 HE ARG A 72 -10.176 -10.964 -0.775 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -11.664 -9.377 2.026 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -12.901 -10.624 2.212 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -11.730 -12.583 -0.472 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -12.938 -12.426 0.807 1.00 1.52 H new ATOM 1138 N MET A 73 -8.181 -3.790 1.166 1.00 0.26 N ATOM 1139 CA MET A 73 -7.500 -2.953 2.148 1.00 0.26 C ATOM 1140 C MET A 73 -8.490 -2.403 3.159 1.00 0.23 C ATOM 1141 O MET A 73 -9.593 -1.999 2.801 1.00 0.24 O ATOM 1142 CB MET A 73 -6.710 -1.812 1.520 1.00 0.30 C ATOM 1143 CG MET A 73 -5.670 -1.249 2.484 1.00 0.35 C ATOM 1144 SD MET A 73 -4.602 -0.022 1.719 1.00 0.77 S ATOM 1145 CE MET A 73 -3.737 0.600 3.156 1.00 0.60 C ATOM 0 H MET A 73 -8.647 -3.294 0.406 1.00 0.26 H new ATOM 0 HA MET A 73 -6.780 -3.598 2.651 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.214 -2.167 0.616 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.394 -1.019 1.218 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.178 -0.800 3.338 1.00 0.35 H new ATOM 0 HG3 MET A 73 -5.059 -2.065 2.870 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.843 1.136 2.838 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.389 1.276 3.709 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.451 -0.233 3.798 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.085 -2.410 4.423 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.943 -1.960 5.511 1.00 0.25 C ATOM 1157 C LEU A 74 -9.183 -0.461 5.442 1.00 0.33 C ATOM 1158 O LEU A 74 -8.243 0.333 5.434 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.326 -2.303 6.864 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.262 -2.168 8.059 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.820 -3.528 8.415 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.545 -1.551 9.251 1.00 0.42 C ATOM 0 H LEU A 74 -7.162 -2.725 4.721 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.897 -2.477 5.403 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.956 -3.328 6.827 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.462 -1.658 7.025 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.082 -1.502 7.791 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.490 -3.434 9.270 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.371 -3.929 7.564 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.002 -4.202 8.668 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.237 -1.467 10.089 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.704 -2.183 9.537 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.179 -0.560 8.982 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.447 -0.094 5.385 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.842 1.297 5.436 1.00 0.26 C ATOM 1176 C ALA A 75 -10.997 1.750 6.872 1.00 0.31 C ATOM 1177 O ALA A 75 -11.108 0.937 7.786 1.00 0.60 O ATOM 1178 CB ALA A 75 -12.131 1.516 4.658 1.00 0.29 C ATOM 0 H ALA A 75 -11.225 -0.748 5.302 1.00 0.27 H new ATOM 0 HA ALA A 75 -10.059 1.896 4.971 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.412 2.568 4.708 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.981 1.230 3.617 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.925 0.907 5.091 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.995 3.059 7.032 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.104 3.744 8.320 1.00 0.30 C ATOM 1186 C LYS A 76 -12.167 3.167 9.268 1.00 0.33 C ATOM 1187 O LYS A 76 -12.103 3.363 10.480 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.435 5.196 8.026 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.282 6.106 9.212 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.660 7.533 8.863 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.126 7.629 8.459 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.535 9.024 8.155 1.00 1.23 N ATOM 0 H LYS A 76 -10.915 3.704 6.246 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.155 3.616 8.840 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.789 5.550 7.222 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.461 5.258 7.662 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.910 5.751 10.029 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.251 6.076 9.565 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.472 8.182 9.718 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.031 7.890 8.048 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.302 7.002 7.585 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.749 7.237 9.263 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.539 9.040 7.885 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.393 9.619 8.996 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -12.960 9.391 7.370 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.143 2.478 8.718 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.266 1.975 9.501 1.00 0.62 C ATOM 1208 C HIS A 77 -14.350 0.458 9.405 1.00 0.69 C ATOM 1209 O HIS A 77 -15.429 -0.125 9.459 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.580 2.647 9.066 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.604 3.090 7.635 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.360 2.484 6.663 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -14.942 4.097 7.017 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.155 3.093 5.512 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.299 4.075 5.699 1.00 0.69 N ATOM 0 H HIS A 77 -13.187 2.249 7.725 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.101 2.230 10.548 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.402 1.951 9.232 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.760 3.512 9.705 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.257 4.791 7.482 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.614 2.829 4.571 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -14.959 4.713 4.980 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.187 -0.166 9.258 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.113 -1.619 9.178 1.00 0.72 C ATOM 1226 C GLY A 78 -13.621 -2.153 7.856 1.00 0.76 C ATOM 1227 O GLY A 78 -13.965 -3.328 7.738 1.00 1.31 O ATOM 0 H GLY A 78 -12.287 0.309 9.192 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -12.080 -1.935 9.321 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.695 -2.055 9.990 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.668 -1.278 6.863 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.154 -1.659 5.555 1.00 0.37 C ATOM 1233 C GLY A 79 -13.065 -2.299 4.732 1.00 0.28 C ATOM 1234 O GLY A 79 -11.933 -2.417 5.193 1.00 0.29 O ATOM 0 H GLY A 79 -13.376 -0.304 6.942 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.988 -2.353 5.662 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.536 -0.780 5.036 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.390 -2.709 3.520 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.402 -3.310 2.645 1.00 0.21 C ATOM 1240 C TYR A 80 -12.556 -2.789 1.235 1.00 0.22 C ATOM 1241 O TYR A 80 -13.594 -2.963 0.607 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.509 -4.836 2.663 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.080 -5.436 3.976 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.752 -5.385 4.365 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -12.996 -6.027 4.832 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.342 -5.911 5.569 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.598 -6.553 6.042 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.270 -6.495 6.409 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.872 -7.017 7.619 1.00 0.38 O ATOM 0 H TYR A 80 -14.326 -2.637 3.121 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.414 -3.034 3.013 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.539 -5.126 2.456 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.895 -5.248 1.862 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.025 -4.924 3.712 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.036 -6.076 4.547 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.301 -5.867 5.855 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.323 -7.009 6.700 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.649 -7.389 8.086 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.525 -2.145 0.742 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.540 -1.628 -0.611 1.00 0.28 C ATOM 1261 C VAL A 81 -10.603 -2.451 -1.478 1.00 0.26 C ATOM 1262 O VAL A 81 -9.510 -2.811 -1.046 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.151 -0.133 -0.656 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.347 0.740 -0.312 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.008 0.159 0.307 1.00 0.30 C ATOM 0 H VAL A 81 -10.663 -1.965 1.256 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.556 -1.707 -0.997 1.00 0.28 H new ATOM 0 HB VAL A 81 -10.822 0.097 -1.670 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.054 1.789 -0.349 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.147 0.561 -1.031 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -12.699 0.496 0.690 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -9.752 1.217 0.258 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.314 -0.093 1.322 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.139 -0.438 0.031 1.00 0.30 H new ATOM 1275 N TRP A 82 -11.045 -2.784 -2.677 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.257 -3.635 -3.553 1.00 0.29 C ATOM 1277 C TRP A 82 -9.279 -2.826 -4.382 1.00 0.28 C ATOM 1278 O TRP A 82 -9.667 -1.939 -5.147 1.00 0.31 O ATOM 1279 CB TRP A 82 -11.147 -4.470 -4.457 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.843 -5.581 -3.740 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -13.021 -5.513 -3.058 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.391 -6.934 -3.629 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.338 -6.746 -2.540 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -12.352 -7.634 -2.875 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -10.270 -7.622 -4.097 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -12.224 -8.986 -2.579 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -10.143 -8.963 -3.800 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -11.115 -9.634 -3.049 1.00 0.52 C ATOM 0 H TRP A 82 -11.938 -2.482 -3.065 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.685 -4.309 -2.915 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.892 -3.823 -4.920 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.544 -4.889 -5.263 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.618 -4.621 -2.942 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -14.172 -6.964 -1.995 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.517 -7.114 -4.681 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.973 -9.506 -1.999 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -9.278 -9.505 -4.153 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.987 -10.685 -2.836 1.00 0.52 H new ATOM 1299 N LEU A 83 -8.008 -3.155 -4.230 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.950 -2.400 -4.868 1.00 0.28 C ATOM 1301 C LEU A 83 -5.871 -3.294 -5.447 1.00 0.29 C ATOM 1302 O LEU A 83 -5.617 -4.388 -4.950 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.324 -1.434 -3.863 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.225 -0.317 -3.343 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.559 -0.554 -1.887 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.551 1.034 -3.511 1.00 0.40 C ATOM 0 H LEU A 83 -7.686 -3.943 -3.668 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.400 -1.848 -5.693 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.969 -2.012 -3.010 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.449 -0.979 -4.326 1.00 0.28 H new ATOM 0 HG LEU A 83 -8.148 -0.318 -3.923 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.202 0.249 -1.526 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.076 -1.508 -1.783 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.640 -0.574 -1.301 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.208 1.818 -3.135 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.615 1.046 -2.952 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.345 1.209 -4.567 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.257 -2.798 -6.510 1.00 0.32 N ATOM 1319 CA GLU A 84 -4.129 -3.452 -7.147 1.00 0.34 C ATOM 1320 C GLU A 84 -2.888 -2.596 -6.926 1.00 0.35 C ATOM 1321 O GLU A 84 -2.963 -1.374 -7.008 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.414 -3.614 -8.640 1.00 0.41 C ATOM 1323 CG GLU A 84 -4.324 -5.047 -9.127 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.926 -5.230 -10.503 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -6.140 -5.510 -10.595 1.00 0.88 O ATOM 1326 OE2 GLU A 84 -4.194 -5.091 -11.504 1.00 1.23 O ATOM 0 H GLU A 84 -5.531 -1.923 -6.957 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.966 -4.441 -6.719 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.411 -3.229 -8.854 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.709 -3.003 -9.204 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -3.279 -5.356 -9.147 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.836 -5.700 -8.420 1.00 0.59 H new ATOM 1333 N THR A 85 -1.761 -3.211 -6.626 1.00 0.36 N ATOM 1334 CA THR A 85 -0.571 -2.443 -6.303 1.00 0.37 C ATOM 1335 C THR A 85 0.630 -2.858 -7.116 1.00 0.32 C ATOM 1336 O THR A 85 1.106 -3.993 -7.047 1.00 0.43 O ATOM 1337 CB THR A 85 -0.243 -2.524 -4.800 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.293 -1.912 -4.046 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.075 -1.833 -4.478 1.00 0.60 C ATOM 0 H THR A 85 -1.642 -4.224 -6.599 1.00 0.36 H new ATOM 0 HA THR A 85 -0.800 -1.409 -6.562 1.00 0.37 H new ATOM 0 HB THR A 85 -0.151 -3.577 -4.533 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.045 -0.989 -3.829 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.274 -1.910 -3.409 1.00 0.60 H new ATOM 0 HG22 THR A 85 1.882 -2.312 -5.033 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.014 -0.782 -4.761 1.00 0.60 H new ATOM 1347 N GLN A 86 1.102 -1.909 -7.895 1.00 0.29 N ATOM 1348 CA GLN A 86 2.364 -2.030 -8.572 1.00 0.35 C ATOM 1349 C GLN A 86 3.464 -1.612 -7.607 1.00 0.28 C ATOM 1350 O GLN A 86 3.577 -0.437 -7.253 1.00 0.30 O ATOM 1351 CB GLN A 86 2.378 -1.148 -9.818 1.00 0.50 C ATOM 1352 CG GLN A 86 3.714 -1.146 -10.523 1.00 0.70 C ATOM 1353 CD GLN A 86 3.764 -0.176 -11.686 1.00 1.06 C ATOM 1354 OE1 GLN A 86 3.416 -0.522 -12.816 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.213 1.040 -11.422 1.00 1.15 N ATOM 0 H GLN A 86 0.615 -1.031 -8.074 1.00 0.29 H new ATOM 0 HA GLN A 86 2.525 -3.060 -8.890 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.609 -1.492 -10.509 1.00 0.50 H new ATOM 0 HB3 GLN A 86 2.120 -0.127 -9.537 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.496 -0.890 -9.808 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.930 -2.151 -10.885 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.491 1.286 -10.472 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.281 1.732 -12.169 1.00 1.15 H new ATOM 1364 N GLY A 87 4.253 -2.574 -7.174 1.00 0.27 N ATOM 1365 CA GLY A 87 5.236 -2.319 -6.148 1.00 0.26 C ATOM 1366 C GLY A 87 6.634 -2.189 -6.707 1.00 0.24 C ATOM 1367 O GLY A 87 6.963 -2.770 -7.739 1.00 0.27 O ATOM 0 H GLY A 87 4.231 -3.535 -7.516 1.00 0.27 H new ATOM 0 HA2 GLY A 87 4.974 -1.404 -5.617 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.214 -3.128 -5.418 1.00 0.26 H new ATOM 1371 N THR A 88 7.441 -1.411 -6.025 1.00 0.23 N ATOM 1372 CA THR A 88 8.821 -1.169 -6.421 1.00 0.22 C ATOM 1373 C THR A 88 9.660 -0.831 -5.191 1.00 0.25 C ATOM 1374 O THR A 88 9.193 -0.133 -4.299 1.00 0.36 O ATOM 1375 CB THR A 88 8.912 -0.014 -7.447 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.030 -0.268 -8.549 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.333 0.147 -7.970 1.00 0.24 C ATOM 0 H THR A 88 7.163 -0.922 -5.174 1.00 0.23 H new ATOM 0 HA THR A 88 9.205 -2.075 -6.890 1.00 0.22 H new ATOM 0 HB THR A 88 8.620 0.907 -6.942 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.092 0.468 -9.194 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.366 0.966 -8.689 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.004 0.366 -7.139 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.648 -0.776 -8.457 1.00 0.24 H new ATOM 1385 N VAL A 89 10.875 -1.348 -5.120 1.00 0.28 N ATOM 1386 CA VAL A 89 11.777 -0.980 -4.039 1.00 0.31 C ATOM 1387 C VAL A 89 12.843 -0.023 -4.536 1.00 0.30 C ATOM 1388 O VAL A 89 13.639 -0.350 -5.417 1.00 0.34 O ATOM 1389 CB VAL A 89 12.440 -2.208 -3.367 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.678 -1.803 -2.577 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.459 -2.898 -2.440 1.00 0.56 C ATOM 0 H VAL A 89 11.258 -2.016 -5.789 1.00 0.28 H new ATOM 0 HA VAL A 89 11.169 -0.487 -3.281 1.00 0.31 H new ATOM 0 HB VAL A 89 12.739 -2.895 -4.159 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.121 -2.686 -2.117 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.402 -1.341 -3.248 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.397 -1.092 -1.800 1.00 0.36 H new ATOM 0 HG21 VAL A 89 11.941 -3.759 -1.976 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.138 -2.201 -1.666 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.592 -3.231 -3.011 1.00 0.56 H new ATOM 1401 N ILE A 90 12.821 1.174 -3.985 1.00 0.27 N ATOM 1402 CA ILE A 90 13.836 2.148 -4.283 1.00 0.30 C ATOM 1403 C ILE A 90 14.990 1.967 -3.311 1.00 0.34 C ATOM 1404 O ILE A 90 14.848 2.142 -2.101 1.00 0.41 O ATOM 1405 CB ILE A 90 13.268 3.587 -4.259 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.267 4.579 -4.847 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.871 4.015 -2.864 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.656 5.928 -5.147 1.00 0.78 C ATOM 0 H ILE A 90 12.108 1.490 -3.328 1.00 0.27 H new ATOM 0 HA ILE A 90 14.205 1.991 -5.297 1.00 0.30 H new ATOM 0 HB ILE A 90 12.370 3.583 -4.876 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.095 4.709 -4.150 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.685 4.164 -5.764 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.478 5.031 -2.893 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.106 3.340 -2.480 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.743 3.982 -2.211 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.417 6.588 -5.563 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.847 5.809 -5.867 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.263 6.362 -4.228 1.00 0.78 H new ATOM 1420 N TYR A 91 16.107 1.514 -3.834 1.00 0.36 N ATOM 1421 CA TYR A 91 17.265 1.260 -3.008 1.00 0.42 C ATOM 1422 C TYR A 91 18.117 2.502 -2.863 1.00 0.48 C ATOM 1423 O TYR A 91 18.094 3.396 -3.711 1.00 0.58 O ATOM 1424 CB TYR A 91 18.139 0.152 -3.579 1.00 0.51 C ATOM 1425 CG TYR A 91 17.448 -1.168 -3.819 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.740 -1.392 -4.990 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.479 -2.179 -2.866 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.086 -2.586 -5.210 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.823 -3.375 -3.077 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.224 -3.620 -4.273 1.00 0.79 C ATOM 1431 OH TYR A 91 15.470 -4.764 -4.459 1.00 1.06 O ATOM 0 H TYR A 91 16.238 1.314 -4.826 1.00 0.36 H new ATOM 0 HA TYR A 91 16.881 0.953 -2.035 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.561 0.497 -4.523 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.974 -0.014 -2.898 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.700 -0.618 -5.742 1.00 0.45 H new ATOM 0 HD2 TYR A 91 18.025 -2.027 -1.946 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.476 -2.723 -6.091 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.785 -4.116 -2.292 1.00 0.76 H new ATOM 0 HH TYR A 91 15.380 -5.239 -3.606 1.00 1.06 H new ATOM 1441 N ASN A 92 18.856 2.550 -1.774 1.00 0.57 N ATOM 1442 CA ASN A 92 19.873 3.566 -1.587 1.00 0.71 C ATOM 1443 C ASN A 92 21.012 3.298 -2.561 1.00 0.69 C ATOM 1444 O ASN A 92 21.485 2.179 -2.660 1.00 0.63 O ATOM 1445 CB ASN A 92 20.394 3.524 -0.154 1.00 0.83 C ATOM 1446 CG ASN A 92 19.882 4.659 0.707 1.00 1.09 C ATOM 1447 OD1 ASN A 92 18.875 4.523 1.393 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.579 5.782 0.683 1.00 1.50 N ATOM 0 H ASN A 92 18.771 1.892 -0.999 1.00 0.57 H new ATOM 0 HA ASN A 92 19.449 4.553 -1.773 1.00 0.71 H new ATOM 0 HB2 ASN A 92 20.108 2.576 0.301 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.483 3.554 -0.171 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.284 6.577 1.250 1.00 1.50 H new ATOM 0 HD22 ASN A 92 21.411 5.853 0.098 1.00 1.50 H new ATOM 1455 N PRO A 93 21.458 4.298 -3.310 1.00 0.84 N ATOM 1456 CA PRO A 93 22.495 4.101 -4.325 1.00 0.91 C ATOM 1457 C PRO A 93 23.858 3.724 -3.741 1.00 0.96 C ATOM 1458 O PRO A 93 24.582 2.924 -4.326 1.00 1.00 O ATOM 1459 CB PRO A 93 22.564 5.453 -5.039 1.00 1.13 C ATOM 1460 CG PRO A 93 21.996 6.436 -4.071 1.00 1.23 C ATOM 1461 CD PRO A 93 20.978 5.685 -3.256 1.00 1.00 C ATOM 0 HA PRO A 93 22.249 3.267 -4.982 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.591 5.708 -5.302 1.00 1.13 H new ATOM 0 HB3 PRO A 93 21.992 5.438 -5.967 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.777 6.849 -3.433 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.535 7.274 -4.593 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.931 6.055 -2.232 1.00 1.00 H new ATOM 0 HD3 PRO A 93 19.977 5.781 -3.676 1.00 1.00 H new ATOM 1469 N ARG A 94 24.214 4.296 -2.597 1.00 1.03 N ATOM 1470 CA ARG A 94 25.515 4.021 -1.992 1.00 1.13 C ATOM 1471 C ARG A 94 25.439 2.847 -1.015 1.00 1.04 C ATOM 1472 O ARG A 94 26.411 2.117 -0.826 1.00 1.16 O ATOM 1473 CB ARG A 94 26.048 5.264 -1.273 1.00 1.37 C ATOM 1474 CG ARG A 94 26.093 6.505 -2.149 1.00 1.93 C ATOM 1475 CD ARG A 94 26.746 7.675 -1.436 1.00 2.43 C ATOM 1476 NE ARG A 94 26.074 8.011 -0.177 1.00 3.09 N ATOM 1477 CZ ARG A 94 26.496 8.954 0.667 1.00 3.87 C ATOM 1478 NH1 ARG A 94 27.581 9.666 0.389 1.00 4.14 N ATOM 1479 NH2 ARG A 94 25.830 9.190 1.791 1.00 4.77 N ATOM 0 H ARG A 94 23.629 4.946 -2.073 1.00 1.03 H new ATOM 0 HA ARG A 94 26.201 3.752 -2.796 1.00 1.13 H new ATOM 0 HB2 ARG A 94 25.422 5.466 -0.404 1.00 1.37 H new ATOM 0 HB3 ARG A 94 27.051 5.056 -0.902 1.00 1.37 H new ATOM 0 HG2 ARG A 94 26.643 6.284 -3.064 1.00 1.93 H new ATOM 0 HG3 ARG A 94 25.080 6.779 -2.444 1.00 1.93 H new ATOM 0 HD2 ARG A 94 27.790 7.436 -1.234 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.739 8.546 -2.092 1.00 2.43 H new ATOM 0 HE ARG A 94 25.231 7.491 0.069 1.00 3.09 H new ATOM 0 HH11 ARG A 94 28.097 9.494 -0.474 1.00 4.14 H new ATOM 0 HH12 ARG A 94 27.899 10.386 1.038 1.00 4.14 H new ATOM 0 HH21 ARG A 94 24.993 8.650 2.011 1.00 4.77 H new ATOM 0 HH22 ARG A 94 26.155 9.912 2.434 1.00 4.77 H new ATOM 1493 N ASN A 95 24.272 2.667 -0.411 1.00 0.99 N ATOM 1494 CA ASN A 95 24.085 1.649 0.626 1.00 1.00 C ATOM 1495 C ASN A 95 23.464 0.392 0.040 1.00 0.85 C ATOM 1496 O ASN A 95 23.601 -0.701 0.590 1.00 0.92 O ATOM 1497 CB ASN A 95 23.186 2.180 1.750 1.00 1.15 C ATOM 1498 CG ASN A 95 23.847 3.255 2.593 1.00 1.58 C ATOM 1499 OD1 ASN A 95 24.713 3.992 2.122 1.00 2.23 O ATOM 1500 ND2 ASN A 95 23.428 3.362 3.844 1.00 1.99 N ATOM 0 H ASN A 95 23.435 3.212 -0.619 1.00 0.99 H new ATOM 0 HA ASN A 95 25.066 1.407 1.034 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.271 2.582 1.314 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.895 1.351 2.395 1.00 1.15 H new ATOM 0 HD21 ASN A 95 23.825 4.075 4.456 1.00 1.99 H new ATOM 0 HD22 ASN A 95 22.708 2.731 4.196 1.00 1.99 H new ATOM 1507 N LEU A 96 22.775 0.578 -1.080 1.00 0.72 N ATOM 1508 CA LEU A 96 22.056 -0.489 -1.780 1.00 0.63 C ATOM 1509 C LEU A 96 21.043 -1.194 -0.880 1.00 0.64 C ATOM 1510 O LEU A 96 20.521 -2.252 -1.230 1.00 0.67 O ATOM 1511 CB LEU A 96 23.028 -1.502 -2.386 1.00 0.74 C ATOM 1512 CG LEU A 96 23.889 -1.001 -3.557 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.019 -0.382 -4.640 1.00 1.22 C ATOM 1514 CD2 LEU A 96 24.952 -0.017 -3.091 1.00 1.76 C ATOM 0 H LEU A 96 22.697 1.487 -1.537 1.00 0.72 H new ATOM 0 HA LEU A 96 21.499 -0.013 -2.587 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.693 -1.852 -1.597 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.455 -2.365 -2.727 1.00 0.74 H new ATOM 0 HG LEU A 96 24.403 -1.864 -3.979 1.00 0.86 H new ATOM 0 HD11 LEU A 96 23.649 -0.034 -5.459 1.00 1.22 H new ATOM 0 HD12 LEU A 96 22.317 -1.128 -5.014 1.00 1.22 H new ATOM 0 HD13 LEU A 96 22.466 0.461 -4.225 1.00 1.22 H new ATOM 0 HD21 LEU A 96 25.541 0.315 -3.946 1.00 1.76 H new ATOM 0 HD22 LEU A 96 24.472 0.843 -2.625 1.00 1.76 H new ATOM 0 HD23 LEU A 96 25.606 -0.504 -2.367 1.00 1.76 H new ATOM 1526 N GLN A 97 20.758 -0.602 0.270 1.00 0.71 N ATOM 1527 CA GLN A 97 19.740 -1.124 1.170 1.00 0.76 C ATOM 1528 C GLN A 97 18.368 -0.676 0.679 1.00 0.64 C ATOM 1529 O GLN A 97 18.284 0.243 -0.141 1.00 0.61 O ATOM 1530 CB GLN A 97 19.981 -0.620 2.599 1.00 0.94 C ATOM 1531 CG GLN A 97 21.345 -0.984 3.167 1.00 1.21 C ATOM 1532 CD GLN A 97 21.604 -2.478 3.167 1.00 2.02 C ATOM 1533 OE1 GLN A 97 21.265 -3.181 4.121 1.00 2.29 O ATOM 1534 NE2 GLN A 97 22.226 -2.970 2.108 1.00 2.81 N ATOM 0 H GLN A 97 21.220 0.244 0.603 1.00 0.71 H new ATOM 0 HA GLN A 97 19.788 -2.213 1.180 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.872 0.464 2.613 1.00 0.94 H new ATOM 0 HB3 GLN A 97 19.208 -1.027 3.251 1.00 0.94 H new ATOM 0 HG2 GLN A 97 22.120 -0.486 2.585 1.00 1.21 H new ATOM 0 HG3 GLN A 97 21.421 -0.607 4.187 1.00 1.21 H new ATOM 0 HE21 GLN A 97 22.490 -2.354 1.339 1.00 2.81 H new ATOM 0 HE22 GLN A 97 22.442 -3.966 2.060 1.00 2.81 H new ATOM 1543 N PRO A 98 17.275 -1.299 1.156 1.00 0.62 N ATOM 1544 CA PRO A 98 15.931 -0.856 0.806 1.00 0.55 C ATOM 1545 C PRO A 98 15.662 0.529 1.375 1.00 0.55 C ATOM 1546 O PRO A 98 15.327 0.678 2.552 1.00 0.62 O ATOM 1547 CB PRO A 98 15.008 -1.901 1.443 1.00 0.60 C ATOM 1548 CG PRO A 98 15.819 -2.529 2.524 1.00 0.62 C ATOM 1549 CD PRO A 98 17.255 -2.461 2.065 1.00 0.72 C ATOM 0 HA PRO A 98 15.781 -0.777 -0.271 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.107 -1.438 1.845 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.687 -2.642 0.711 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.686 -2.000 3.468 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.512 -3.561 2.691 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.938 -2.325 2.904 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.556 -3.375 1.553 1.00 0.72 H new ATOM 1557 N GLN A 99 15.834 1.543 0.539 1.00 0.51 N ATOM 1558 CA GLN A 99 15.699 2.915 0.980 1.00 0.54 C ATOM 1559 C GLN A 99 14.242 3.198 1.266 1.00 0.50 C ATOM 1560 O GLN A 99 13.887 3.718 2.326 1.00 0.57 O ATOM 1561 CB GLN A 99 16.251 3.871 -0.089 1.00 0.56 C ATOM 1562 CG GLN A 99 15.551 5.220 -0.163 1.00 0.72 C ATOM 1563 CD GLN A 99 15.943 6.197 0.942 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.927 7.411 0.738 1.00 1.73 O ATOM 1565 NE2 GLN A 99 16.285 5.688 2.116 1.00 1.32 N ATOM 0 H GLN A 99 16.067 1.437 -0.448 1.00 0.51 H new ATOM 0 HA GLN A 99 16.274 3.071 1.893 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.310 4.038 0.105 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.178 3.386 -1.062 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.770 5.676 -1.129 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.474 5.059 -0.123 1.00 0.72 H new ATOM 0 HE21 GLN A 99 16.288 4.677 2.252 1.00 1.32 H new ATOM 0 HE22 GLN A 99 16.545 6.307 2.884 1.00 1.32 H new ATOM 1574 N CYS A 100 13.396 2.796 0.336 1.00 0.43 N ATOM 1575 CA CYS A 100 11.972 3.047 0.435 1.00 0.41 C ATOM 1576 C CYS A 100 11.211 2.109 -0.489 1.00 0.35 C ATOM 1577 O CYS A 100 11.795 1.442 -1.341 1.00 0.39 O ATOM 1578 CB CYS A 100 11.643 4.507 0.082 1.00 0.45 C ATOM 1579 SG CYS A 100 12.166 5.725 1.314 1.00 0.64 S ATOM 0 H CYS A 100 13.675 2.289 -0.504 1.00 0.43 H new ATOM 0 HA CYS A 100 11.667 2.865 1.466 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.114 4.750 -0.871 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.566 4.597 -0.062 1.00 0.45 H new ATOM 0 HG CYS A 100 13.072 5.201 2.085 1.00 0.64 H new ATOM 1585 N ILE A 101 9.913 2.054 -0.294 1.00 0.29 N ATOM 1586 CA ILE A 101 9.029 1.271 -1.131 1.00 0.27 C ATOM 1587 C ILE A 101 8.111 2.224 -1.879 1.00 0.23 C ATOM 1588 O ILE A 101 7.516 3.103 -1.268 1.00 0.28 O ATOM 1589 CB ILE A 101 8.154 0.287 -0.309 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.991 -0.804 0.376 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.099 -0.360 -1.195 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.814 -0.326 1.555 1.00 0.73 C ATOM 0 H ILE A 101 9.436 2.555 0.456 1.00 0.29 H new ATOM 0 HA ILE A 101 9.644 0.681 -1.811 1.00 0.27 H new ATOM 0 HB ILE A 101 7.668 0.874 0.470 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.323 -1.596 0.714 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.661 -1.245 -0.362 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.496 -1.046 -0.601 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.458 0.412 -1.620 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.587 -0.910 -2.000 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.371 -1.164 1.974 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.511 0.443 1.224 1.00 0.73 H new ATOM 0 HD13 ILE A 101 9.153 0.087 2.317 1.00 0.73 H new ATOM 1604 N MET A 102 7.999 2.056 -3.179 1.00 0.22 N ATOM 1605 CA MET A 102 7.118 2.884 -3.984 1.00 0.23 C ATOM 1606 C MET A 102 5.920 2.065 -4.416 1.00 0.22 C ATOM 1607 O MET A 102 6.055 1.114 -5.191 1.00 0.24 O ATOM 1608 CB MET A 102 7.852 3.438 -5.207 1.00 0.30 C ATOM 1609 CG MET A 102 8.873 4.507 -4.863 1.00 0.69 C ATOM 1610 SD MET A 102 9.736 5.143 -6.311 1.00 1.47 S ATOM 1611 CE MET A 102 8.373 5.821 -7.261 1.00 1.81 C ATOM 0 H MET A 102 8.510 1.349 -3.707 1.00 0.22 H new ATOM 0 HA MET A 102 6.784 3.731 -3.384 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.354 2.619 -5.722 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.122 3.853 -5.902 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.372 5.330 -4.354 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.601 4.096 -4.164 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.756 6.543 -7.982 1.00 1.81 H new ATOM 0 HE2 MET A 102 7.862 5.016 -7.789 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.672 6.316 -6.589 1.00 1.81 H new ATOM 1621 N CYS A 103 4.759 2.396 -3.884 1.00 0.25 N ATOM 1622 CA CYS A 103 3.549 1.667 -4.218 1.00 0.26 C ATOM 1623 C CYS A 103 2.633 2.492 -5.111 1.00 0.27 C ATOM 1624 O CYS A 103 2.220 3.594 -4.746 1.00 0.32 O ATOM 1625 CB CYS A 103 2.803 1.270 -2.943 1.00 0.31 C ATOM 1626 SG CYS A 103 3.717 0.132 -1.874 1.00 0.39 S ATOM 0 H CYS A 103 4.627 3.161 -3.222 1.00 0.25 H new ATOM 0 HA CYS A 103 3.842 0.770 -4.763 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.567 2.172 -2.378 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.854 0.809 -3.219 1.00 0.31 H new ATOM 0 HG CYS A 103 3.083 -0.009 -0.748 1.00 0.39 H new ATOM 1632 N VAL A 104 2.335 1.969 -6.291 1.00 0.27 N ATOM 1633 CA VAL A 104 1.321 2.559 -7.147 1.00 0.28 C ATOM 1634 C VAL A 104 0.029 1.778 -6.966 1.00 0.29 C ATOM 1635 O VAL A 104 -0.030 0.589 -7.282 1.00 0.29 O ATOM 1636 CB VAL A 104 1.728 2.537 -8.636 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.804 3.425 -9.451 1.00 0.35 C ATOM 1638 CG2 VAL A 104 3.176 2.968 -8.809 1.00 0.34 C ATOM 0 H VAL A 104 2.782 1.137 -6.676 1.00 0.27 H new ATOM 0 HA VAL A 104 1.196 3.603 -6.861 1.00 0.28 H new ATOM 0 HB VAL A 104 1.635 1.514 -9.000 1.00 0.30 H new ATOM 0 HG11 VAL A 104 1.104 3.399 -10.498 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.221 3.066 -9.358 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.864 4.449 -9.082 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.439 2.944 -9.867 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.302 3.981 -8.426 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.826 2.288 -8.258 1.00 0.34 H new ATOM 1648 N ASN A 105 -0.997 2.432 -6.450 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.207 1.727 -6.055 1.00 0.30 C ATOM 1650 C ASN A 105 -3.374 2.094 -6.950 1.00 0.27 C ATOM 1651 O ASN A 105 -3.590 3.267 -7.267 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.548 2.033 -4.598 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.344 1.909 -3.686 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.047 0.835 -3.158 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.642 3.016 -3.501 1.00 0.63 N ATOM 0 H ASN A 105 -1.019 3.440 -6.295 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.021 0.658 -6.161 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.952 3.043 -4.526 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.329 1.352 -4.259 1.00 0.33 H new ATOM 0 HD21 ASN A 105 0.183 3.003 -2.901 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.926 3.882 -3.959 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.137 1.084 -7.322 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.235 1.240 -8.251 1.00 0.24 C ATOM 1664 C TYR A 106 -6.520 0.781 -7.584 1.00 0.25 C ATOM 1665 O TYR A 106 -6.752 -0.417 -7.424 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.985 0.417 -9.520 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.655 0.695 -10.183 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -3.524 1.712 -11.120 1.00 0.35 C ATOM 1669 CD2 TYR A 106 -2.534 -0.059 -9.874 1.00 0.31 C ATOM 1670 CE1 TYR A 106 -2.311 1.968 -11.731 1.00 0.40 C ATOM 1671 CE2 TYR A 106 -1.316 0.192 -10.478 1.00 0.35 C ATOM 1672 CZ TYR A 106 -1.206 1.208 -11.398 1.00 0.40 C ATOM 1673 OH TYR A 106 0.007 1.454 -12.008 1.00 0.48 O ATOM 0 H TYR A 106 -4.011 0.129 -6.986 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.319 2.290 -8.532 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.040 -0.642 -9.270 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.784 0.618 -10.234 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -4.384 2.313 -11.375 1.00 0.35 H new ATOM 0 HD2 TYR A 106 -2.613 -0.856 -9.149 1.00 0.31 H new ATOM 0 HE1 TYR A 106 -2.227 2.757 -12.464 1.00 0.40 H new ATOM 0 HE2 TYR A 106 -0.454 -0.408 -10.228 1.00 0.35 H new ATOM 0 HH TYR A 106 0.680 0.832 -11.660 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.325 1.736 -7.155 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.594 1.407 -6.528 1.00 0.28 C ATOM 1685 C VAL A 107 -9.606 1.010 -7.600 1.00 0.33 C ATOM 1686 O VAL A 107 -9.970 1.806 -8.468 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.136 2.554 -5.641 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -9.311 3.837 -6.431 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -10.444 2.148 -4.975 1.00 0.62 C ATOM 0 H VAL A 107 -7.127 2.734 -7.227 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.427 0.563 -5.859 1.00 0.28 H new ATOM 0 HB VAL A 107 -8.397 2.746 -4.863 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -9.693 4.619 -5.775 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -8.350 4.145 -6.842 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.016 3.670 -7.245 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -10.807 2.969 -4.356 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -11.185 1.915 -5.740 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -10.277 1.270 -4.351 1.00 0.62 H new ATOM 1699 N LEU A 108 -10.028 -0.241 -7.550 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.865 -0.808 -8.592 1.00 0.39 C ATOM 1701 C LEU A 108 -12.312 -0.873 -8.137 1.00 0.44 C ATOM 1702 O LEU A 108 -13.178 -0.188 -8.682 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.352 -2.200 -8.945 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.884 -2.240 -9.374 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -8.172 -3.412 -8.728 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.775 -2.320 -10.888 1.00 0.48 C ATOM 0 H LEU A 108 -9.803 -0.887 -6.794 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.820 -0.172 -9.476 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.484 -2.853 -8.082 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.965 -2.607 -9.749 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.403 -1.320 -9.041 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -7.129 -3.424 -9.045 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -8.220 -3.314 -7.643 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.654 -4.342 -9.030 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.724 -2.348 -11.176 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.272 -3.223 -11.241 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -9.251 -1.446 -11.334 1.00 0.48 H new ATOM 1718 N SER A 109 -12.567 -1.685 -7.124 1.00 0.44 N ATOM 1719 CA SER A 109 -13.902 -1.812 -6.582 1.00 0.54 C ATOM 1720 C SER A 109 -14.035 -0.912 -5.363 1.00 0.64 C ATOM 1721 O SER A 109 -13.036 -0.553 -4.735 1.00 0.93 O ATOM 1722 CB SER A 109 -14.200 -3.273 -6.217 1.00 0.64 C ATOM 1723 OG SER A 109 -15.581 -3.471 -5.958 1.00 1.46 O ATOM 0 H SER A 109 -11.865 -2.264 -6.663 1.00 0.44 H new ATOM 0 HA SER A 109 -14.628 -1.504 -7.334 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.884 -3.925 -7.032 1.00 0.64 H new ATOM 0 HB3 SER A 109 -13.619 -3.556 -5.339 1.00 0.64 H new ATOM 0 HG SER A 109 -15.740 -4.411 -5.730 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.264 -0.544 -5.043 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.536 0.342 -3.923 1.00 0.74 C ATOM 1731 C GLU A 110 -15.541 -0.433 -2.606 1.00 0.59 C ATOM 1732 O GLU A 110 -15.107 -1.587 -2.553 1.00 0.55 O ATOM 1733 CB GLU A 110 -16.877 1.043 -4.140 1.00 1.07 C ATOM 1734 CG GLU A 110 -18.031 0.084 -4.387 1.00 1.46 C ATOM 1735 CD GLU A 110 -19.307 0.796 -4.762 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -19.482 1.134 -5.952 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -20.144 1.031 -3.863 1.00 2.94 O ATOM 0 H GLU A 110 -16.096 -0.848 -5.548 1.00 0.62 H new ATOM 0 HA GLU A 110 -14.746 1.091 -3.865 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.104 1.654 -3.266 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -16.790 1.721 -4.989 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.759 -0.609 -5.183 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.202 -0.512 -3.490 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.023 0.209 -1.551 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.034 -0.387 -0.221 1.00 0.59 C ATOM 1746 C ILE A 111 -16.856 -1.667 -0.188 1.00 0.58 C ATOM 1747 O ILE A 111 -18.078 -1.656 -0.351 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.570 0.607 0.826 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -15.778 1.911 0.731 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.472 0.012 2.228 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.224 2.976 1.701 1.00 0.89 C ATOM 0 H ILE A 111 -16.415 1.150 -1.591 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.002 -0.637 0.026 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.622 0.813 0.626 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -14.723 1.696 0.904 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -15.862 2.301 -0.283 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -16.855 0.728 2.955 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.061 -0.904 2.276 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.430 -0.214 2.455 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -15.612 3.868 1.569 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.269 3.222 1.515 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.114 2.608 2.721 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.160 -2.764 0.023 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.764 -4.063 0.160 1.00 0.61 C ATOM 1765 C GLU A 112 -16.553 -4.550 1.571 1.00 0.64 C ATOM 1766 O GLU A 112 -15.531 -4.258 2.186 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.142 -5.048 -0.823 1.00 0.68 C ATOM 1768 CG GLU A 112 -17.039 -5.359 -1.999 1.00 1.14 C ATOM 1769 CD GLU A 112 -18.340 -5.991 -1.558 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -18.360 -7.215 -1.303 1.00 1.56 O ATOM 1771 OE2 GLU A 112 -19.355 -5.272 -1.489 1.00 1.64 O ATOM 0 H GLU A 112 -15.143 -2.773 0.105 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.830 -3.990 -0.056 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.200 -4.640 -1.190 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.905 -5.974 -0.299 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -17.248 -4.442 -2.550 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -16.522 -6.031 -2.684 1.00 1.14 H new ATOM 1778 N LYS A 113 -17.516 -5.260 2.103 1.00 0.82 N ATOM 1779 CA LYS A 113 -17.380 -5.791 3.432 1.00 0.95 C ATOM 1780 C LYS A 113 -17.756 -7.261 3.444 1.00 1.14 C ATOM 1781 O LYS A 113 -18.844 -7.647 3.874 1.00 1.29 O ATOM 1782 CB LYS A 113 -18.226 -4.966 4.396 1.00 1.09 C ATOM 1783 CG LYS A 113 -17.734 -3.530 4.510 1.00 1.10 C ATOM 1784 CD LYS A 113 -18.709 -2.626 5.244 1.00 1.47 C ATOM 1785 CE LYS A 113 -18.652 -2.805 6.761 1.00 1.97 C ATOM 1786 NZ LYS A 113 -19.176 -4.123 7.209 1.00 2.69 N ATOM 0 H LYS A 113 -18.397 -5.482 1.638 1.00 0.82 H new ATOM 0 HA LYS A 113 -16.343 -5.723 3.761 1.00 0.95 H new ATOM 0 HB2 LYS A 113 -19.263 -4.967 4.059 1.00 1.09 H new ATOM 0 HB3 LYS A 113 -18.210 -5.433 5.381 1.00 1.09 H new ATOM 0 HG2 LYS A 113 -16.776 -3.520 5.030 1.00 1.10 H new ATOM 0 HG3 LYS A 113 -17.559 -3.131 3.511 1.00 1.10 H new ATOM 0 HD2 LYS A 113 -18.492 -1.587 4.996 1.00 1.47 H new ATOM 0 HD3 LYS A 113 -19.721 -2.831 4.896 1.00 1.47 H new ATOM 0 HE2 LYS A 113 -17.620 -2.697 7.096 1.00 1.97 H new ATOM 0 HE3 LYS A 113 -19.226 -2.010 7.237 1.00 1.97 H new ATOM 0 HZ1 LYS A 113 -19.632 -4.018 8.138 1.00 2.69 H new ATOM 0 HZ2 LYS A 113 -19.872 -4.473 6.519 1.00 2.69 H new ATOM 0 HZ3 LYS A 113 -18.391 -4.801 7.283 1.00 2.69 H new ATOM 1800 N ASN A 114 -16.842 -8.063 2.916 1.00 1.33 N ATOM 1801 CA ASN A 114 -16.964 -9.513 2.910 1.00 1.59 C ATOM 1802 C ASN A 114 -15.580 -10.130 3.058 1.00 1.87 C ATOM 1803 O ASN A 114 -14.850 -10.209 2.049 1.00 2.52 O ATOM 1804 CB ASN A 114 -17.629 -10.025 1.620 1.00 2.62 C ATOM 1805 CG ASN A 114 -19.103 -9.670 1.523 1.00 3.39 C ATOM 1806 OD1 ASN A 114 -19.958 -10.354 2.085 1.00 3.87 O ATOM 1807 ND2 ASN A 114 -19.418 -8.619 0.783 1.00 3.97 N ATOM 1808 OXT ASN A 114 -15.219 -10.513 4.191 1.00 2.41 O ATOM 0 H ASN A 114 -15.987 -7.722 2.476 1.00 1.33 H new ATOM 0 HA ASN A 114 -17.600 -9.806 3.745 1.00 1.59 H new ATOM 0 HB2 ASN A 114 -17.105 -9.609 0.759 1.00 2.62 H new ATOM 0 HB3 ASN A 114 -17.519 -11.108 1.568 1.00 2.62 H new ATOM 0 HD21 ASN A 114 -20.396 -8.353 0.664 1.00 3.97 H new ATOM 0 HD22 ASN A 114 -18.683 -8.074 0.332 1.00 3.97 H new TER 1815 ASN A 114