USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 25 THR OG1 : rot -23:sc= -0.0315 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.657 X(o=-0.69,f=-0.86) USER MOD Set 2.1: A 4 TYR OH : rot 14:sc= 1.21 USER MOD Set 2.2: A 70 ASN : amide:sc= 2.12 K(o=3.3,f=-6.1!) USER MOD Single : A 8 THR OG1 : rot -108:sc= -2.53! USER MOD Single : A 12 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.35) USER MOD Single : A 20 SER OG : rot 160:sc= -0.381 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -3.33! K(o=-3.3!,f=-0.36) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -102:sc= 1.38 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 49 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.59) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 51 MET CE :methyl -156:sc= -0.265 (180deg=-1.1) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.54! C(o=-3.5!,f=-3.9!) USER MOD Single : A 77 TYR OH : rot -80:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 46 N TYR A 4 5.052 -6.977 -5.764 1.00 0.73 N ATOM 47 CA TYR A 4 4.478 -5.736 -6.191 1.00 0.56 C ATOM 48 C TYR A 4 3.238 -5.519 -5.346 1.00 0.48 C ATOM 49 O TYR A 4 2.745 -6.468 -4.735 1.00 0.54 O ATOM 50 CB TYR A 4 4.150 -5.787 -7.688 1.00 0.66 C ATOM 51 CG TYR A 4 2.965 -6.655 -8.026 1.00 0.57 C ATOM 52 CD1 TYR A 4 1.687 -6.159 -7.885 1.00 0.51 C ATOM 53 CD2 TYR A 4 3.123 -7.956 -8.483 1.00 0.78 C ATOM 54 CE1 TYR A 4 0.586 -6.921 -8.177 1.00 0.60 C ATOM 55 CE2 TYR A 4 2.025 -8.736 -8.784 1.00 1.00 C ATOM 56 CZ TYR A 4 0.756 -8.216 -8.629 1.00 0.90 C ATOM 57 OH TYR A 4 -0.341 -8.997 -8.912 1.00 1.17 O ATOM 0 HA TYR A 4 5.171 -4.905 -6.058 1.00 0.56 H new ATOM 0 HB2 TYR A 4 3.958 -4.774 -8.042 1.00 0.66 H new ATOM 0 HB3 TYR A 4 5.022 -6.154 -8.228 1.00 0.66 H new ATOM 0 HD1 TYR A 4 1.550 -5.146 -7.536 1.00 0.51 H new ATOM 0 HD2 TYR A 4 4.116 -8.362 -8.604 1.00 0.78 H new ATOM 0 HE1 TYR A 4 -0.406 -6.513 -8.055 1.00 0.60 H new ATOM 0 HE2 TYR A 4 2.158 -9.747 -9.139 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.141 -8.433 -8.957 1.00 1.17 H new ATOM 67 N ILE A 5 2.720 -4.310 -5.319 1.00 0.41 N ATOM 68 CA ILE A 5 1.637 -3.983 -4.415 1.00 0.37 C ATOM 69 C ILE A 5 0.482 -3.357 -5.169 1.00 0.31 C ATOM 70 O ILE A 5 0.653 -2.902 -6.298 1.00 0.33 O ATOM 71 CB ILE A 5 2.062 -3.053 -3.259 1.00 0.42 C ATOM 72 CG1 ILE A 5 2.185 -1.581 -3.694 1.00 0.49 C ATOM 73 CG2 ILE A 5 3.359 -3.532 -2.624 1.00 0.51 C ATOM 74 CD1 ILE A 5 3.337 -1.294 -4.626 1.00 1.00 C ATOM 0 H ILE A 5 3.030 -3.539 -5.910 1.00 0.41 H new ATOM 0 HA ILE A 5 1.325 -4.928 -3.969 1.00 0.37 H new ATOM 0 HB ILE A 5 1.266 -3.100 -2.515 1.00 0.42 H new ATOM 0 HG12 ILE A 5 1.257 -1.281 -4.182 1.00 0.49 H new ATOM 0 HG13 ILE A 5 2.292 -0.961 -2.804 1.00 0.49 H new ATOM 0 HG21 ILE A 5 3.637 -2.860 -1.812 1.00 0.51 H new ATOM 0 HG22 ILE A 5 3.221 -4.539 -2.230 1.00 0.51 H new ATOM 0 HG23 ILE A 5 4.150 -3.541 -3.374 1.00 0.51 H new ATOM 0 HD11 ILE A 5 3.345 -0.234 -4.879 1.00 1.00 H new ATOM 0 HD12 ILE A 5 4.275 -1.558 -4.137 1.00 1.00 H new ATOM 0 HD13 ILE A 5 3.224 -1.883 -5.536 1.00 1.00 H new ATOM 86 N ARG A 6 -0.709 -3.360 -4.581 1.00 0.30 N ATOM 87 CA ARG A 6 -1.827 -2.758 -5.239 1.00 0.32 C ATOM 88 C ARG A 6 -2.368 -1.620 -4.375 1.00 0.31 C ATOM 89 O ARG A 6 -2.573 -1.786 -3.181 1.00 0.31 O ATOM 90 CB ARG A 6 -2.871 -3.844 -5.483 1.00 0.39 C ATOM 91 CG ARG A 6 -4.241 -3.358 -5.820 1.00 0.81 C ATOM 92 CD ARG A 6 -4.893 -4.440 -6.621 1.00 0.61 C ATOM 93 NE ARG A 6 -5.818 -3.927 -7.601 1.00 1.13 N ATOM 94 CZ ARG A 6 -6.867 -4.608 -8.071 1.00 1.78 C ATOM 95 NH1 ARG A 6 -7.125 -5.832 -7.619 1.00 2.03 N ATOM 96 NH2 ARG A 6 -7.648 -4.068 -9.001 1.00 2.73 N ATOM 0 H ARG A 6 -0.908 -3.768 -3.668 1.00 0.30 H new ATOM 0 HA ARG A 6 -1.543 -2.328 -6.199 1.00 0.32 H new ATOM 0 HB2 ARG A 6 -2.522 -4.483 -6.294 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -2.935 -4.468 -4.591 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -4.811 -3.149 -4.915 1.00 0.81 H new ATOM 0 HG3 ARG A 6 -4.194 -2.430 -6.389 1.00 0.81 H new ATOM 0 HD2 ARG A 6 -4.125 -5.027 -7.125 1.00 0.61 H new ATOM 0 HD3 ARG A 6 -5.421 -5.116 -5.949 1.00 0.61 H new ATOM 0 HE ARG A 6 -5.662 -2.984 -7.958 1.00 1.13 H new ATOM 0 HH11 ARG A 6 -6.522 -6.252 -6.912 1.00 2.03 H new ATOM 0 HH12 ARG A 6 -7.926 -6.350 -7.979 1.00 2.03 H new ATOM 0 HH21 ARG A 6 -7.447 -3.133 -9.356 1.00 2.73 H new ATOM 0 HH22 ARG A 6 -8.449 -4.588 -9.360 1.00 2.73 H new ATOM 110 N VAL A 7 -2.615 -0.465 -4.974 1.00 0.34 N ATOM 111 CA VAL A 7 -2.987 0.712 -4.198 1.00 0.38 C ATOM 112 C VAL A 7 -4.193 1.392 -4.815 1.00 0.38 C ATOM 113 O VAL A 7 -4.372 1.343 -6.021 1.00 0.41 O ATOM 114 CB VAL A 7 -1.838 1.748 -4.142 1.00 0.45 C ATOM 115 CG1 VAL A 7 -2.066 2.750 -3.026 1.00 1.21 C ATOM 116 CG2 VAL A 7 -0.483 1.076 -3.994 1.00 1.45 C ATOM 0 H VAL A 7 -2.566 -0.316 -5.982 1.00 0.34 H new ATOM 0 HA VAL A 7 -3.212 0.365 -3.189 1.00 0.38 H new ATOM 0 HB VAL A 7 -1.837 2.285 -5.091 1.00 0.45 H new ATOM 0 HG11 VAL A 7 -1.245 3.467 -3.007 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -3.005 3.277 -3.197 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -2.112 2.227 -2.071 1.00 1.21 H new ATOM 0 HG21 VAL A 7 0.298 1.836 -3.958 1.00 1.45 H new ATOM 0 HG22 VAL A 7 -0.465 0.493 -3.073 1.00 1.45 H new ATOM 0 HG23 VAL A 7 -0.309 0.417 -4.844 1.00 1.45 H new ATOM 126 N THR A 8 -5.062 1.935 -3.990 1.00 0.39 N ATOM 127 CA THR A 8 -6.084 2.847 -4.459 1.00 0.40 C ATOM 128 C THR A 8 -6.495 3.811 -3.355 1.00 0.42 C ATOM 129 O THR A 8 -6.099 3.643 -2.205 1.00 0.56 O ATOM 130 CB THR A 8 -7.277 2.093 -5.051 1.00 0.43 C ATOM 131 OG1 THR A 8 -8.311 3.000 -5.439 1.00 0.49 O ATOM 132 CG2 THR A 8 -7.809 1.061 -4.091 1.00 0.47 C ATOM 0 H THR A 8 -5.081 1.760 -2.985 1.00 0.39 H new ATOM 0 HA THR A 8 -5.664 3.445 -5.268 1.00 0.40 H new ATOM 0 HB THR A 8 -6.926 1.570 -5.941 1.00 0.43 H new ATOM 0 HG1 THR A 8 -9.066 2.919 -4.820 1.00 0.49 H new ATOM 0 HG21 THR A 8 -8.655 0.545 -4.544 1.00 0.47 H new ATOM 0 HG22 THR A 8 -7.025 0.340 -3.861 1.00 0.47 H new ATOM 0 HG23 THR A 8 -8.132 1.551 -3.172 1.00 0.47 H new ATOM 140 N GLU A 9 -7.239 4.841 -3.706 1.00 0.35 N ATOM 141 CA GLU A 9 -7.784 5.736 -2.710 1.00 0.30 C ATOM 142 C GLU A 9 -8.906 5.027 -1.986 1.00 0.29 C ATOM 143 O GLU A 9 -8.867 4.809 -0.780 1.00 0.41 O ATOM 144 CB GLU A 9 -8.288 7.015 -3.372 1.00 0.31 C ATOM 145 CG GLU A 9 -8.782 8.071 -2.404 1.00 1.13 C ATOM 146 CD GLU A 9 -10.258 8.356 -2.553 1.00 2.20 C ATOM 147 OE1 GLU A 9 -10.655 8.940 -3.582 1.00 2.55 O ATOM 148 OE2 GLU A 9 -11.035 7.979 -1.650 1.00 2.97 O ATOM 0 H GLU A 9 -7.478 5.077 -4.669 1.00 0.35 H new ATOM 0 HA GLU A 9 -7.011 6.014 -1.994 1.00 0.30 H new ATOM 0 HB2 GLU A 9 -7.484 7.439 -3.973 1.00 0.31 H new ATOM 0 HB3 GLU A 9 -9.097 6.760 -4.056 1.00 0.31 H new ATOM 0 HG2 GLU A 9 -8.581 7.745 -1.384 1.00 1.13 H new ATOM 0 HG3 GLU A 9 -8.221 8.992 -2.561 1.00 1.13 H new ATOM 155 N ASP A 10 -9.862 4.581 -2.748 1.00 0.32 N ATOM 156 CA ASP A 10 -11.022 3.964 -2.182 1.00 0.36 C ATOM 157 C ASP A 10 -10.970 2.507 -2.508 1.00 0.33 C ATOM 158 O ASP A 10 -10.482 2.106 -3.559 1.00 0.33 O ATOM 159 CB ASP A 10 -12.311 4.567 -2.726 1.00 0.48 C ATOM 160 CG ASP A 10 -13.530 4.163 -1.917 1.00 0.84 C ATOM 161 OD1 ASP A 10 -13.877 4.882 -0.957 1.00 1.14 O ATOM 162 OD2 ASP A 10 -14.143 3.124 -2.232 1.00 1.11 O ATOM 0 H ASP A 10 -9.859 4.634 -3.767 1.00 0.32 H new ATOM 0 HA ASP A 10 -11.022 4.128 -1.104 1.00 0.36 H new ATOM 0 HB2 ASP A 10 -12.226 5.654 -2.730 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -12.446 4.254 -3.761 1.00 0.48 H new ATOM 167 N GLU A 11 -11.506 1.739 -1.611 1.00 0.38 N ATOM 168 CA GLU A 11 -11.491 0.296 -1.692 1.00 0.40 C ATOM 169 C GLU A 11 -12.268 -0.126 -2.920 1.00 0.47 C ATOM 170 O GLU A 11 -12.159 -1.254 -3.402 1.00 0.60 O ATOM 171 CB GLU A 11 -12.139 -0.264 -0.429 1.00 0.50 C ATOM 172 CG GLU A 11 -12.088 0.716 0.733 1.00 0.69 C ATOM 173 CD GLU A 11 -12.521 0.113 2.051 1.00 1.05 C ATOM 174 OE1 GLU A 11 -13.696 0.281 2.433 1.00 1.48 O ATOM 175 OE2 GLU A 11 -11.692 -0.541 2.713 1.00 1.37 O ATOM 0 H GLU A 11 -11.978 2.097 -0.781 1.00 0.38 H new ATOM 0 HA GLU A 11 -10.472 -0.083 -1.770 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -13.177 -0.520 -0.640 1.00 0.50 H new ATOM 0 HB3 GLU A 11 -11.635 -1.187 -0.144 1.00 0.50 H new ATOM 0 HG2 GLU A 11 -11.071 1.096 0.833 1.00 0.69 H new ATOM 0 HG3 GLU A 11 -12.726 1.570 0.506 1.00 0.69 H new ATOM 182 N ASN A 12 -13.065 0.813 -3.401 1.00 0.49 N ATOM 183 CA ASN A 12 -13.771 0.658 -4.649 1.00 0.60 C ATOM 184 C ASN A 12 -13.551 1.882 -5.552 1.00 0.48 C ATOM 185 O ASN A 12 -14.455 2.297 -6.275 1.00 0.52 O ATOM 186 CB ASN A 12 -15.249 0.427 -4.387 1.00 0.81 C ATOM 187 CG ASN A 12 -15.994 -0.148 -5.579 1.00 1.46 C ATOM 188 OD1 ASN A 12 -16.533 0.579 -6.415 1.00 2.00 O ATOM 189 ND2 ASN A 12 -16.036 -1.465 -5.654 1.00 2.02 N ATOM 0 H ASN A 12 -13.237 1.703 -2.933 1.00 0.49 H new ATOM 0 HA ASN A 12 -13.376 -0.214 -5.171 1.00 0.60 H new ATOM 0 HB2 ASN A 12 -15.358 -0.250 -3.540 1.00 0.81 H new ATOM 0 HB3 ASN A 12 -15.711 1.372 -4.101 1.00 0.81 H new ATOM 0 HD21 ASN A 12 -16.528 -1.916 -6.425 1.00 2.02 H new ATOM 0 HD22 ASN A 12 -15.576 -2.031 -4.941 1.00 2.02 H new ATOM 196 N ASP A 13 -12.362 2.500 -5.484 1.00 0.40 N ATOM 197 CA ASP A 13 -12.000 3.503 -6.486 1.00 0.37 C ATOM 198 C ASP A 13 -11.449 2.771 -7.692 1.00 0.47 C ATOM 199 O ASP A 13 -12.138 1.976 -8.333 1.00 0.59 O ATOM 200 CB ASP A 13 -10.921 4.497 -5.995 1.00 0.34 C ATOM 201 CG ASP A 13 -10.894 5.781 -6.801 1.00 0.39 C ATOM 202 OD1 ASP A 13 -11.754 6.654 -6.561 1.00 0.44 O ATOM 203 OD2 ASP A 13 -10.013 5.928 -7.670 1.00 0.52 O ATOM 0 H ASP A 13 -11.657 2.328 -4.768 1.00 0.40 H new ATOM 0 HA ASP A 13 -12.895 4.082 -6.712 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -11.103 4.735 -4.947 1.00 0.34 H new ATOM 0 HB3 ASP A 13 -9.943 4.019 -6.048 1.00 0.34 H new ATOM 208 N GLU A 14 -10.200 3.049 -7.989 1.00 0.47 N ATOM 209 CA GLU A 14 -9.443 2.257 -8.937 1.00 0.56 C ATOM 210 C GLU A 14 -8.197 1.686 -8.269 1.00 0.50 C ATOM 211 O GLU A 14 -7.156 2.342 -8.232 1.00 0.50 O ATOM 212 CB GLU A 14 -9.053 3.114 -10.124 1.00 0.68 C ATOM 213 CG GLU A 14 -8.678 2.295 -11.344 1.00 1.12 C ATOM 214 CD GLU A 14 -9.778 1.346 -11.778 1.00 1.38 C ATOM 215 OE1 GLU A 14 -10.556 1.708 -12.680 1.00 2.18 O ATOM 216 OE2 GLU A 14 -9.868 0.231 -11.219 1.00 1.73 O ATOM 0 H GLU A 14 -9.680 3.827 -7.583 1.00 0.47 H new ATOM 0 HA GLU A 14 -10.062 1.430 -9.284 1.00 0.56 H new ATOM 0 HB2 GLU A 14 -9.882 3.775 -10.377 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -8.212 3.750 -9.846 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -8.439 2.968 -12.168 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -7.776 1.723 -11.128 1.00 1.12 H new ATOM 223 N PRO A 15 -8.288 0.481 -7.690 1.00 0.50 N ATOM 224 CA PRO A 15 -7.122 -0.210 -7.155 1.00 0.45 C ATOM 225 C PRO A 15 -6.269 -0.779 -8.275 1.00 0.43 C ATOM 226 O PRO A 15 -6.771 -1.427 -9.194 1.00 0.52 O ATOM 227 CB PRO A 15 -7.727 -1.318 -6.312 1.00 0.50 C ATOM 228 CG PRO A 15 -8.999 -1.601 -6.972 1.00 0.57 C ATOM 229 CD PRO A 15 -9.520 -0.290 -7.483 1.00 0.58 C ATOM 0 HA PRO A 15 -6.461 0.444 -6.585 1.00 0.45 H new ATOM 0 HB2 PRO A 15 -7.085 -2.198 -6.287 1.00 0.50 H new ATOM 0 HB3 PRO A 15 -7.874 -1.001 -5.280 1.00 0.50 H new ATOM 0 HG2 PRO A 15 -8.862 -2.308 -7.790 1.00 0.57 H new ATOM 0 HG3 PRO A 15 -9.705 -2.053 -6.275 1.00 0.57 H new ATOM 0 HD2 PRO A 15 -10.084 -0.410 -8.408 1.00 0.58 H new ATOM 0 HD3 PRO A 15 -10.184 0.191 -6.765 1.00 0.58 H new ATOM 237 N ILE A 16 -4.983 -0.561 -8.184 1.00 0.36 N ATOM 238 CA ILE A 16 -4.090 -0.838 -9.282 1.00 0.36 C ATOM 239 C ILE A 16 -2.925 -1.699 -8.841 1.00 0.31 C ATOM 240 O ILE A 16 -2.354 -1.475 -7.777 1.00 0.37 O ATOM 241 CB ILE A 16 -3.570 0.476 -9.882 1.00 0.42 C ATOM 242 CG1 ILE A 16 -3.047 1.386 -8.756 1.00 0.41 C ATOM 243 CG2 ILE A 16 -4.668 1.153 -10.682 1.00 0.51 C ATOM 244 CD1 ILE A 16 -3.876 2.639 -8.520 1.00 0.45 C ATOM 0 H ILE A 16 -4.526 -0.188 -7.352 1.00 0.36 H new ATOM 0 HA ILE A 16 -4.650 -1.387 -10.040 1.00 0.36 H new ATOM 0 HB ILE A 16 -2.744 0.269 -10.563 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -3.009 0.812 -7.830 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -2.024 1.681 -8.990 1.00 0.41 H new ATOM 0 HG21 ILE A 16 -4.290 2.084 -11.104 1.00 0.51 H new ATOM 0 HG22 ILE A 16 -4.990 0.494 -11.488 1.00 0.51 H new ATOM 0 HG23 ILE A 16 -5.514 1.368 -10.029 1.00 0.51 H new ATOM 0 HD11 ILE A 16 -3.435 3.220 -7.710 1.00 0.45 H new ATOM 0 HD12 ILE A 16 -3.894 3.240 -9.429 1.00 0.45 H new ATOM 0 HD13 ILE A 16 -4.894 2.357 -8.251 1.00 0.45 H new ATOM 256 N GLU A 17 -2.588 -2.687 -9.648 1.00 0.34 N ATOM 257 CA GLU A 17 -1.425 -3.514 -9.385 1.00 0.34 C ATOM 258 C GLU A 17 -0.186 -2.861 -9.969 1.00 0.36 C ATOM 259 O GLU A 17 -0.118 -2.598 -11.170 1.00 0.45 O ATOM 260 CB GLU A 17 -1.603 -4.897 -9.976 1.00 0.43 C ATOM 261 CG GLU A 17 -2.850 -5.608 -9.481 1.00 0.53 C ATOM 262 CD GLU A 17 -3.111 -6.910 -10.207 1.00 0.98 C ATOM 263 OE1 GLU A 17 -4.010 -6.945 -11.072 1.00 1.62 O ATOM 264 OE2 GLU A 17 -2.425 -7.906 -9.912 1.00 1.35 O ATOM 0 H GLU A 17 -3.103 -2.937 -10.492 1.00 0.34 H new ATOM 0 HA GLU A 17 -1.309 -3.612 -8.306 1.00 0.34 H new ATOM 0 HB2 GLU A 17 -1.646 -4.817 -11.062 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -0.729 -5.502 -9.735 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -2.750 -5.806 -8.414 1.00 0.53 H new ATOM 0 HG3 GLU A 17 -3.710 -4.950 -9.604 1.00 0.53 H new ATOM 271 N ILE A 18 0.782 -2.605 -9.116 1.00 0.32 N ATOM 272 CA ILE A 18 1.976 -1.861 -9.507 1.00 0.39 C ATOM 273 C ILE A 18 3.225 -2.453 -8.863 1.00 0.36 C ATOM 274 O ILE A 18 3.196 -2.876 -7.708 1.00 0.35 O ATOM 275 CB ILE A 18 1.871 -0.359 -9.138 1.00 0.47 C ATOM 276 CG1 ILE A 18 1.525 -0.179 -7.656 1.00 1.18 C ATOM 277 CG2 ILE A 18 0.842 0.339 -10.017 1.00 1.37 C ATOM 278 CD1 ILE A 18 1.488 1.270 -7.214 1.00 1.52 C ATOM 0 H ILE A 18 0.772 -2.900 -8.140 1.00 0.32 H new ATOM 0 HA ILE A 18 2.054 -1.944 -10.591 1.00 0.39 H new ATOM 0 HB ILE A 18 2.844 0.100 -9.315 1.00 0.47 H new ATOM 0 HG12 ILE A 18 0.555 -0.635 -7.460 1.00 1.18 H new ATOM 0 HG13 ILE A 18 2.257 -0.716 -7.053 1.00 1.18 H new ATOM 0 HG21 ILE A 18 0.783 1.392 -9.742 1.00 1.37 H new ATOM 0 HG22 ILE A 18 1.138 0.253 -11.062 1.00 1.37 H new ATOM 0 HG23 ILE A 18 -0.133 -0.128 -9.876 1.00 1.37 H new ATOM 0 HD11 ILE A 18 1.237 1.321 -6.155 1.00 1.52 H new ATOM 0 HD12 ILE A 18 2.465 1.725 -7.378 1.00 1.52 H new ATOM 0 HD13 ILE A 18 0.736 1.807 -7.791 1.00 1.52 H new ATOM 290 N PRO A 19 4.338 -2.499 -9.611 1.00 0.39 N ATOM 291 CA PRO A 19 5.606 -3.039 -9.112 1.00 0.39 C ATOM 292 C PRO A 19 6.241 -2.146 -8.047 1.00 0.36 C ATOM 293 O PRO A 19 6.269 -0.922 -8.182 1.00 0.44 O ATOM 294 CB PRO A 19 6.489 -3.099 -10.361 1.00 0.48 C ATOM 295 CG PRO A 19 5.924 -2.070 -11.279 1.00 0.67 C ATOM 296 CD PRO A 19 4.445 -2.033 -11.006 1.00 0.47 C ATOM 0 HA PRO A 19 5.471 -4.005 -8.626 1.00 0.39 H new ATOM 0 HB2 PRO A 19 7.530 -2.884 -10.120 1.00 0.48 H new ATOM 0 HB3 PRO A 19 6.465 -4.090 -10.815 1.00 0.48 H new ATOM 0 HG2 PRO A 19 6.378 -1.096 -11.099 1.00 0.67 H new ATOM 0 HG3 PRO A 19 6.122 -2.326 -12.320 1.00 0.67 H new ATOM 0 HD2 PRO A 19 4.040 -1.028 -11.125 1.00 0.47 H new ATOM 0 HD3 PRO A 19 3.895 -2.681 -11.688 1.00 0.47 H new ATOM 304 N SER A 20 6.735 -2.766 -6.986 1.00 0.39 N ATOM 305 CA SER A 20 7.382 -2.043 -5.902 1.00 0.39 C ATOM 306 C SER A 20 8.872 -2.364 -5.860 1.00 0.38 C ATOM 307 O SER A 20 9.336 -3.281 -6.550 1.00 0.40 O ATOM 308 CB SER A 20 6.718 -2.401 -4.571 1.00 0.44 C ATOM 309 OG SER A 20 6.517 -3.800 -4.457 1.00 0.97 O ATOM 0 H SER A 20 6.699 -3.777 -6.852 1.00 0.39 H new ATOM 0 HA SER A 20 7.270 -0.973 -6.075 1.00 0.39 H new ATOM 0 HB2 SER A 20 7.340 -2.052 -3.746 1.00 0.44 H new ATOM 0 HB3 SER A 20 5.761 -1.886 -4.489 1.00 0.44 H new ATOM 0 HG SER A 20 6.401 -4.038 -3.513 1.00 0.97 H new ATOM 315 N GLU A 21 9.622 -1.610 -5.062 1.00 0.41 N ATOM 316 CA GLU A 21 11.045 -1.849 -4.917 1.00 0.48 C ATOM 317 C GLU A 21 11.262 -3.158 -4.182 1.00 0.49 C ATOM 318 O GLU A 21 10.578 -3.443 -3.201 1.00 0.45 O ATOM 319 CB GLU A 21 11.707 -0.691 -4.180 1.00 0.53 C ATOM 320 CG GLU A 21 13.225 -0.688 -4.271 1.00 1.47 C ATOM 321 CD GLU A 21 13.721 -0.722 -5.704 1.00 1.91 C ATOM 322 OE1 GLU A 21 14.223 -1.779 -6.142 1.00 2.77 O ATOM 323 OE2 GLU A 21 13.615 0.314 -6.398 1.00 2.00 O ATOM 0 H GLU A 21 9.264 -0.831 -4.509 1.00 0.41 H new ATOM 0 HA GLU A 21 11.504 -1.919 -5.903 1.00 0.48 H new ATOM 0 HB2 GLU A 21 11.327 0.248 -4.583 1.00 0.53 H new ATOM 0 HB3 GLU A 21 11.416 -0.728 -3.130 1.00 0.53 H new ATOM 0 HG2 GLU A 21 13.614 0.202 -3.776 1.00 1.47 H new ATOM 0 HG3 GLU A 21 13.620 -1.550 -3.733 1.00 1.47 H new ATOM 330 N ASP A 22 12.218 -3.940 -4.684 1.00 0.61 N ATOM 331 CA ASP A 22 12.510 -5.301 -4.205 1.00 0.70 C ATOM 332 C ASP A 22 12.786 -5.346 -2.721 1.00 0.72 C ATOM 333 O ASP A 22 12.743 -6.408 -2.101 1.00 0.81 O ATOM 334 CB ASP A 22 13.741 -5.825 -4.898 1.00 0.87 C ATOM 335 CG ASP A 22 13.550 -6.055 -6.384 1.00 1.33 C ATOM 336 OD1 ASP A 22 13.760 -7.197 -6.839 1.00 1.43 O ATOM 337 OD2 ASP A 22 13.182 -5.104 -7.108 1.00 2.13 O ATOM 0 H ASP A 22 12.825 -3.645 -5.449 1.00 0.61 H new ATOM 0 HA ASP A 22 11.628 -5.903 -4.422 1.00 0.70 H new ATOM 0 HB2 ASP A 22 14.559 -5.120 -4.750 1.00 0.87 H new ATOM 0 HB3 ASP A 22 14.040 -6.763 -4.429 1.00 0.87 H new ATOM 342 N ASP A 23 13.079 -4.190 -2.158 1.00 0.69 N ATOM 343 CA ASP A 23 13.332 -4.084 -0.726 1.00 0.75 C ATOM 344 C ASP A 23 12.012 -4.191 0.008 1.00 0.66 C ATOM 345 O ASP A 23 11.940 -4.121 1.237 1.00 0.75 O ATOM 346 CB ASP A 23 14.016 -2.772 -0.386 1.00 0.82 C ATOM 347 CG ASP A 23 15.317 -2.585 -1.137 1.00 1.53 C ATOM 348 OD1 ASP A 23 16.363 -3.060 -0.646 1.00 1.85 O ATOM 349 OD2 ASP A 23 15.302 -1.966 -2.221 1.00 2.32 O ATOM 0 H ASP A 23 13.149 -3.308 -2.666 1.00 0.69 H new ATOM 0 HA ASP A 23 13.998 -4.891 -0.420 1.00 0.75 H new ATOM 0 HB2 ASP A 23 13.344 -1.945 -0.618 1.00 0.82 H new ATOM 0 HB3 ASP A 23 14.210 -2.734 0.686 1.00 0.82 H new ATOM 354 N GLY A 24 10.972 -4.365 -0.786 1.00 0.56 N ATOM 355 CA GLY A 24 9.621 -4.430 -0.275 1.00 0.55 C ATOM 356 C GLY A 24 9.130 -3.061 0.130 1.00 0.48 C ATOM 357 O GLY A 24 8.243 -2.922 0.971 1.00 0.55 O ATOM 0 H GLY A 24 11.042 -4.465 -1.799 1.00 0.56 H new ATOM 0 HA2 GLY A 24 8.960 -4.847 -1.035 1.00 0.55 H new ATOM 0 HA3 GLY A 24 9.585 -5.102 0.583 1.00 0.55 H new ATOM 361 N THR A 25 9.727 -2.047 -0.465 1.00 0.40 N ATOM 362 CA THR A 25 9.529 -0.693 -0.026 1.00 0.39 C ATOM 363 C THR A 25 9.231 0.224 -1.213 1.00 0.36 C ATOM 364 O THR A 25 9.389 -0.168 -2.373 1.00 0.41 O ATOM 365 CB THR A 25 10.789 -0.223 0.738 1.00 0.51 C ATOM 366 OG1 THR A 25 10.423 0.461 1.939 1.00 0.62 O ATOM 367 CG2 THR A 25 11.660 0.675 -0.118 1.00 0.47 C ATOM 0 H THR A 25 10.358 -2.144 -1.261 1.00 0.40 H new ATOM 0 HA THR A 25 8.668 -0.649 0.642 1.00 0.39 H new ATOM 0 HB THR A 25 11.365 -1.113 0.992 1.00 0.51 H new ATOM 0 HG1 THR A 25 9.510 0.807 1.853 1.00 0.62 H new ATOM 0 HG21 THR A 25 12.535 0.985 0.453 1.00 0.47 H new ATOM 0 HG22 THR A 25 11.980 0.131 -1.007 1.00 0.47 H new ATOM 0 HG23 THR A 25 11.092 1.556 -0.417 1.00 0.47 H new ATOM 375 N VAL A 26 8.767 1.423 -0.906 1.00 0.33 N ATOM 376 CA VAL A 26 8.485 2.435 -1.894 1.00 0.37 C ATOM 377 C VAL A 26 8.751 3.818 -1.315 1.00 0.35 C ATOM 378 O VAL A 26 8.565 4.045 -0.125 1.00 0.32 O ATOM 379 CB VAL A 26 7.028 2.359 -2.369 1.00 0.42 C ATOM 380 CG1 VAL A 26 6.894 1.410 -3.546 1.00 0.47 C ATOM 381 CG2 VAL A 26 6.130 1.912 -1.241 1.00 0.41 C ATOM 0 H VAL A 26 8.575 1.719 0.051 1.00 0.33 H new ATOM 0 HA VAL A 26 9.139 2.258 -2.748 1.00 0.37 H new ATOM 0 HB VAL A 26 6.724 3.355 -2.691 1.00 0.42 H new ATOM 0 HG11 VAL A 26 5.853 1.372 -3.866 1.00 0.47 H new ATOM 0 HG12 VAL A 26 7.514 1.763 -4.370 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.219 0.413 -3.248 1.00 0.47 H new ATOM 0 HG21 VAL A 26 5.100 1.863 -1.594 1.00 0.41 H new ATOM 0 HG22 VAL A 26 6.443 0.927 -0.896 1.00 0.41 H new ATOM 0 HG23 VAL A 26 6.198 2.623 -0.418 1.00 0.41 H new ATOM 391 N LEU A 27 9.206 4.730 -2.154 1.00 0.42 N ATOM 392 CA LEU A 27 9.430 6.111 -1.755 1.00 0.45 C ATOM 393 C LEU A 27 8.085 6.767 -1.459 1.00 0.43 C ATOM 394 O LEU A 27 7.284 7.014 -2.347 1.00 0.48 O ATOM 395 CB LEU A 27 10.251 6.793 -2.873 1.00 0.56 C ATOM 396 CG LEU A 27 10.117 8.298 -3.090 1.00 1.25 C ATOM 397 CD1 LEU A 27 10.057 9.054 -1.797 1.00 1.94 C ATOM 398 CD2 LEU A 27 11.247 8.801 -3.965 1.00 1.67 C ATOM 0 H LEU A 27 9.431 4.537 -3.130 1.00 0.42 H new ATOM 0 HA LEU A 27 10.008 6.200 -0.835 1.00 0.45 H new ATOM 0 HB2 LEU A 27 11.303 6.583 -2.681 1.00 0.56 H new ATOM 0 HB3 LEU A 27 9.995 6.303 -3.812 1.00 0.56 H new ATOM 0 HG LEU A 27 9.170 8.477 -3.600 1.00 1.25 H new ATOM 0 HD11 LEU A 27 9.962 10.120 -2.003 1.00 1.94 H new ATOM 0 HD12 LEU A 27 9.196 8.718 -1.219 1.00 1.94 H new ATOM 0 HD13 LEU A 27 10.969 8.874 -1.228 1.00 1.94 H new ATOM 0 HD21 LEU A 27 11.142 9.876 -4.113 1.00 1.67 H new ATOM 0 HD22 LEU A 27 12.202 8.593 -3.482 1.00 1.67 H new ATOM 0 HD23 LEU A 27 11.212 8.296 -4.930 1.00 1.67 H new ATOM 410 N LEU A 28 7.855 7.032 -0.176 1.00 0.45 N ATOM 411 CA LEU A 28 6.565 7.443 0.316 1.00 0.49 C ATOM 412 C LEU A 28 6.204 8.802 -0.248 1.00 0.46 C ATOM 413 O LEU A 28 5.131 8.988 -0.794 1.00 0.46 O ATOM 414 CB LEU A 28 6.659 7.458 1.837 1.00 0.63 C ATOM 415 CG LEU A 28 6.243 8.742 2.539 1.00 0.67 C ATOM 416 CD1 LEU A 28 4.729 8.896 2.563 1.00 0.83 C ATOM 417 CD2 LEU A 28 6.804 8.786 3.951 1.00 0.97 C ATOM 0 H LEU A 28 8.570 6.964 0.548 1.00 0.45 H new ATOM 0 HA LEU A 28 5.775 6.760 0.004 1.00 0.49 H new ATOM 0 HB2 LEU A 28 6.044 6.645 2.223 1.00 0.63 H new ATOM 0 HB3 LEU A 28 7.689 7.237 2.116 1.00 0.63 H new ATOM 0 HG LEU A 28 6.655 9.578 1.973 1.00 0.67 H new ATOM 0 HD11 LEU A 28 4.466 9.823 3.072 1.00 0.83 H new ATOM 0 HD12 LEU A 28 4.350 8.922 1.541 1.00 0.83 H new ATOM 0 HD13 LEU A 28 4.286 8.053 3.093 1.00 0.83 H new ATOM 0 HD21 LEU A 28 6.495 9.712 4.436 1.00 0.97 H new ATOM 0 HD22 LEU A 28 6.427 7.935 4.519 1.00 0.97 H new ATOM 0 HD23 LEU A 28 7.892 8.742 3.912 1.00 0.97 H new ATOM 429 N SER A 29 7.147 9.722 -0.143 1.00 0.49 N ATOM 430 CA SER A 29 6.971 11.095 -0.590 1.00 0.58 C ATOM 431 C SER A 29 6.641 11.141 -2.074 1.00 0.58 C ATOM 432 O SER A 29 5.776 11.915 -2.511 1.00 0.61 O ATOM 433 CB SER A 29 8.240 11.901 -0.305 1.00 0.72 C ATOM 434 OG SER A 29 8.650 11.736 1.042 1.00 1.43 O ATOM 0 H SER A 29 8.066 9.536 0.259 1.00 0.49 H new ATOM 0 HA SER A 29 6.138 11.535 -0.042 1.00 0.58 H new ATOM 0 HB2 SER A 29 9.038 11.580 -0.975 1.00 0.72 H new ATOM 0 HB3 SER A 29 8.059 12.957 -0.508 1.00 0.72 H new ATOM 0 HG SER A 29 9.464 12.258 1.203 1.00 1.43 H new ATOM 440 N THR A 30 7.290 10.280 -2.852 1.00 0.60 N ATOM 441 CA THR A 30 7.024 10.267 -4.279 1.00 0.68 C ATOM 442 C THR A 30 5.628 9.750 -4.476 1.00 0.65 C ATOM 443 O THR A 30 4.896 10.184 -5.362 1.00 0.74 O ATOM 444 CB THR A 30 8.016 9.420 -5.096 1.00 0.79 C ATOM 445 OG1 THR A 30 8.034 9.822 -6.471 1.00 1.42 O ATOM 446 CG2 THR A 30 7.668 7.965 -5.015 1.00 0.94 C ATOM 0 H THR A 30 7.982 9.604 -2.529 1.00 0.60 H new ATOM 0 HA THR A 30 7.141 11.286 -4.648 1.00 0.68 H new ATOM 0 HB THR A 30 9.005 9.581 -4.667 1.00 0.79 H new ATOM 0 HG1 THR A 30 8.674 9.268 -6.965 1.00 1.42 H new ATOM 0 HG21 THR A 30 8.383 7.387 -5.600 1.00 0.94 H new ATOM 0 HG22 THR A 30 7.703 7.640 -3.975 1.00 0.94 H new ATOM 0 HG23 THR A 30 6.665 7.808 -5.411 1.00 0.94 H new ATOM 454 N VAL A 31 5.253 8.848 -3.589 1.00 0.56 N ATOM 455 CA VAL A 31 3.968 8.246 -3.658 1.00 0.58 C ATOM 456 C VAL A 31 2.891 9.289 -3.375 1.00 0.56 C ATOM 457 O VAL A 31 1.900 9.353 -4.065 1.00 0.67 O ATOM 458 CB VAL A 31 3.843 7.034 -2.701 1.00 0.55 C ATOM 459 CG1 VAL A 31 2.387 6.658 -2.454 1.00 0.65 C ATOM 460 CG2 VAL A 31 4.597 5.852 -3.283 1.00 0.57 C ATOM 0 H VAL A 31 5.834 8.526 -2.815 1.00 0.56 H new ATOM 0 HA VAL A 31 3.828 7.861 -4.668 1.00 0.58 H new ATOM 0 HB VAL A 31 4.276 7.312 -1.740 1.00 0.55 H new ATOM 0 HG11 VAL A 31 2.341 5.804 -1.778 1.00 0.65 H new ATOM 0 HG12 VAL A 31 1.864 7.503 -2.007 1.00 0.65 H new ATOM 0 HG13 VAL A 31 1.913 6.398 -3.400 1.00 0.65 H new ATOM 0 HG21 VAL A 31 4.510 4.998 -2.611 1.00 0.57 H new ATOM 0 HG22 VAL A 31 4.175 5.594 -4.254 1.00 0.57 H new ATOM 0 HG23 VAL A 31 5.648 6.114 -3.402 1.00 0.57 H new ATOM 470 N THR A 32 3.120 10.139 -2.378 1.00 0.49 N ATOM 471 CA THR A 32 2.159 11.186 -2.018 1.00 0.52 C ATOM 472 C THR A 32 1.999 12.231 -3.119 1.00 0.64 C ATOM 473 O THR A 32 1.064 13.025 -3.058 1.00 0.72 O ATOM 474 CB THR A 32 2.465 11.888 -0.670 1.00 0.48 C ATOM 475 OG1 THR A 32 2.814 13.263 -0.877 1.00 0.67 O ATOM 476 CG2 THR A 32 3.587 11.195 0.052 1.00 0.52 C ATOM 0 H THR A 32 3.962 10.126 -1.803 1.00 0.49 H new ATOM 0 HA THR A 32 1.216 10.653 -1.895 1.00 0.52 H new ATOM 0 HB THR A 32 1.562 11.836 -0.062 1.00 0.48 H new ATOM 0 HG1 THR A 32 3.001 13.687 -0.013 1.00 0.67 H new ATOM 0 HG21 THR A 32 3.783 11.706 0.995 1.00 0.52 H new ATOM 0 HG22 THR A 32 3.307 10.160 0.251 1.00 0.52 H new ATOM 0 HG23 THR A 32 4.485 11.216 -0.566 1.00 0.52 H new ATOM 484 N ALA A 33 2.975 12.309 -4.040 1.00 0.69 N ATOM 485 CA ALA A 33 2.907 13.206 -5.222 1.00 0.82 C ATOM 486 C ALA A 33 1.680 12.991 -6.113 1.00 0.88 C ATOM 487 O ALA A 33 1.769 13.051 -7.341 1.00 0.93 O ATOM 488 CB ALA A 33 4.163 13.054 -6.043 1.00 0.89 C ATOM 0 H ALA A 33 3.832 11.758 -3.993 1.00 0.69 H new ATOM 0 HA ALA A 33 2.814 14.218 -4.827 1.00 0.82 H new ATOM 0 HB1 ALA A 33 4.113 13.712 -6.910 1.00 0.89 H new ATOM 0 HB2 ALA A 33 5.029 13.319 -5.436 1.00 0.89 H new ATOM 0 HB3 ALA A 33 4.257 12.021 -6.377 1.00 0.89 H new ATOM 494 N GLN A 34 0.543 12.792 -5.480 1.00 0.92 N ATOM 495 CA GLN A 34 -0.693 12.428 -6.135 1.00 0.98 C ATOM 496 C GLN A 34 -1.730 12.132 -5.091 1.00 0.91 C ATOM 497 O GLN A 34 -1.572 12.490 -3.927 1.00 0.81 O ATOM 498 CB GLN A 34 -0.489 11.181 -6.963 1.00 1.04 C ATOM 499 CG GLN A 34 0.156 10.053 -6.205 1.00 0.94 C ATOM 500 CD GLN A 34 1.372 9.506 -6.932 1.00 0.96 C ATOM 501 OE1 GLN A 34 1.267 8.548 -7.696 1.00 1.05 O ATOM 502 NE2 GLN A 34 2.532 10.133 -6.733 1.00 0.89 N ATOM 0 H GLN A 34 0.452 12.882 -4.468 1.00 0.92 H new ATOM 0 HA GLN A 34 -1.012 13.250 -6.776 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -1.454 10.846 -7.344 1.00 1.04 H new ATOM 0 HB3 GLN A 34 0.128 11.426 -7.828 1.00 1.04 H new ATOM 0 HG2 GLN A 34 0.451 10.402 -5.216 1.00 0.94 H new ATOM 0 HG3 GLN A 34 -0.569 9.253 -6.057 1.00 0.94 H new ATOM 0 HE21 GLN A 34 2.580 10.924 -6.091 1.00 0.89 H new ATOM 0 HE22 GLN A 34 3.371 9.821 -7.222 1.00 0.89 H new ATOM 511 N PHE A 35 -2.796 11.486 -5.505 1.00 0.98 N ATOM 512 CA PHE A 35 -3.703 10.895 -4.569 1.00 0.94 C ATOM 513 C PHE A 35 -3.565 9.377 -4.640 1.00 0.94 C ATOM 514 O PHE A 35 -4.217 8.719 -5.456 1.00 1.07 O ATOM 515 CB PHE A 35 -5.105 11.324 -4.958 1.00 1.08 C ATOM 516 CG PHE A 35 -5.451 12.740 -4.570 1.00 1.12 C ATOM 517 CD1 PHE A 35 -4.670 13.807 -4.991 1.00 1.15 C ATOM 518 CD2 PHE A 35 -6.562 13.004 -3.788 1.00 1.39 C ATOM 519 CE1 PHE A 35 -4.993 15.104 -4.640 1.00 1.25 C ATOM 520 CE2 PHE A 35 -6.890 14.298 -3.433 1.00 1.50 C ATOM 521 CZ PHE A 35 -6.103 15.349 -3.858 1.00 1.33 C ATOM 0 H PHE A 35 -3.050 11.361 -6.485 1.00 0.98 H new ATOM 0 HA PHE A 35 -3.490 11.214 -3.549 1.00 0.94 H new ATOM 0 HB2 PHE A 35 -5.219 11.217 -6.037 1.00 1.08 H new ATOM 0 HB3 PHE A 35 -5.822 10.647 -4.493 1.00 1.08 H new ATOM 0 HD1 PHE A 35 -3.798 13.621 -5.601 1.00 1.15 H new ATOM 0 HD2 PHE A 35 -7.182 12.186 -3.450 1.00 1.39 H new ATOM 0 HE1 PHE A 35 -4.377 15.925 -4.977 1.00 1.25 H new ATOM 0 HE2 PHE A 35 -7.761 14.487 -2.824 1.00 1.50 H new ATOM 0 HZ PHE A 35 -6.356 16.361 -3.579 1.00 1.33 H new ATOM 531 N PRO A 36 -2.694 8.808 -3.791 1.00 0.82 N ATOM 532 CA PRO A 36 -2.525 7.374 -3.631 1.00 0.85 C ATOM 533 C PRO A 36 -2.839 6.852 -2.220 1.00 0.77 C ATOM 534 O PRO A 36 -2.686 5.667 -1.944 1.00 0.83 O ATOM 535 CB PRO A 36 -1.029 7.287 -3.831 1.00 0.82 C ATOM 536 CG PRO A 36 -0.528 8.461 -3.045 1.00 0.67 C ATOM 537 CD PRO A 36 -1.631 9.499 -3.064 1.00 0.69 C ATOM 0 HA PRO A 36 -3.177 6.799 -4.289 1.00 0.85 H new ATOM 0 HB2 PRO A 36 -0.624 6.346 -3.458 1.00 0.82 H new ATOM 0 HB3 PRO A 36 -0.756 7.357 -4.884 1.00 0.82 H new ATOM 0 HG2 PRO A 36 -0.289 8.169 -2.022 1.00 0.67 H new ATOM 0 HG3 PRO A 36 0.386 8.860 -3.485 1.00 0.67 H new ATOM 0 HD2 PRO A 36 -1.942 9.780 -2.058 1.00 0.69 H new ATOM 0 HD3 PRO A 36 -1.321 10.414 -3.569 1.00 0.69 H new ATOM 545 N GLY A 37 -3.259 7.743 -1.336 1.00 0.67 N ATOM 546 CA GLY A 37 -3.200 7.462 0.089 1.00 0.60 C ATOM 547 C GLY A 37 -2.100 8.284 0.738 1.00 0.48 C ATOM 548 O GLY A 37 -2.096 8.508 1.940 1.00 0.51 O ATOM 0 H GLY A 37 -3.641 8.658 -1.577 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -4.159 7.693 0.553 1.00 0.60 H new ATOM 0 HA3 GLY A 37 -3.015 6.400 0.251 1.00 0.60 H new ATOM 552 N ALA A 38 -1.177 8.736 -0.101 1.00 0.45 N ATOM 553 CA ALA A 38 -0.144 9.703 0.258 1.00 0.40 C ATOM 554 C ALA A 38 0.822 9.194 1.323 1.00 0.35 C ATOM 555 O ALA A 38 1.909 8.725 0.997 1.00 0.43 O ATOM 556 CB ALA A 38 -0.774 11.013 0.694 1.00 0.41 C ATOM 0 H ALA A 38 -1.123 8.434 -1.074 1.00 0.45 H new ATOM 0 HA ALA A 38 0.451 9.865 -0.641 1.00 0.40 H new ATOM 0 HB1 ALA A 38 0.009 11.723 0.958 1.00 0.41 H new ATOM 0 HB2 ALA A 38 -1.371 11.419 -0.122 1.00 0.41 H new ATOM 0 HB3 ALA A 38 -1.413 10.839 1.560 1.00 0.41 H new ATOM 562 N SER A 39 0.422 9.262 2.584 1.00 0.32 N ATOM 563 CA SER A 39 1.359 9.101 3.678 1.00 0.34 C ATOM 564 C SER A 39 0.852 8.068 4.659 1.00 0.32 C ATOM 565 O SER A 39 1.616 7.493 5.435 1.00 0.48 O ATOM 566 CB SER A 39 1.568 10.443 4.373 1.00 0.41 C ATOM 567 OG SER A 39 2.462 10.333 5.469 1.00 1.11 O ATOM 0 H SER A 39 -0.543 9.427 2.871 1.00 0.32 H new ATOM 0 HA SER A 39 2.314 8.753 3.283 1.00 0.34 H new ATOM 0 HB2 SER A 39 1.957 11.167 3.657 1.00 0.41 H new ATOM 0 HB3 SER A 39 0.609 10.825 4.723 1.00 0.41 H new ATOM 0 HG SER A 39 2.574 11.211 5.889 1.00 1.11 H new ATOM 573 N GLY A 40 -0.443 7.844 4.625 1.00 0.36 N ATOM 574 CA GLY A 40 -1.037 6.858 5.466 1.00 0.35 C ATOM 575 C GLY A 40 -1.566 5.729 4.652 1.00 0.32 C ATOM 576 O GLY A 40 -1.888 5.910 3.478 1.00 0.39 O ATOM 0 H GLY A 40 -1.097 8.339 4.018 1.00 0.36 H new ATOM 0 HA2 GLY A 40 -0.300 6.487 6.178 1.00 0.35 H new ATOM 0 HA3 GLY A 40 -1.844 7.305 6.047 1.00 0.35 H new ATOM 580 N LEU A 41 -1.685 4.567 5.242 1.00 0.28 N ATOM 581 CA LEU A 41 -2.263 3.481 4.512 1.00 0.26 C ATOM 582 C LEU A 41 -3.348 2.772 5.275 1.00 0.25 C ATOM 583 O LEU A 41 -3.380 2.763 6.502 1.00 0.28 O ATOM 584 CB LEU A 41 -1.215 2.454 4.105 1.00 0.29 C ATOM 585 CG LEU A 41 -0.933 2.386 2.617 1.00 0.35 C ATOM 586 CD1 LEU A 41 -2.214 2.150 1.850 1.00 0.56 C ATOM 587 CD2 LEU A 41 -0.268 3.660 2.143 1.00 0.45 C ATOM 0 H LEU A 41 -1.397 4.356 6.198 1.00 0.28 H new ATOM 0 HA LEU A 41 -2.701 3.938 3.625 1.00 0.26 H new ATOM 0 HB2 LEU A 41 -0.285 2.679 4.627 1.00 0.29 H new ATOM 0 HB3 LEU A 41 -1.540 1.470 4.444 1.00 0.29 H new ATOM 0 HG LEU A 41 -0.255 1.552 2.433 1.00 0.35 H new ATOM 0 HD11 LEU A 41 -1.996 2.104 0.783 1.00 0.56 H new ATOM 0 HD12 LEU A 41 -2.662 1.209 2.170 1.00 0.56 H new ATOM 0 HD13 LEU A 41 -2.909 2.967 2.043 1.00 0.56 H new ATOM 0 HD21 LEU A 41 -0.073 3.592 1.073 1.00 0.45 H new ATOM 0 HD22 LEU A 41 -0.924 4.508 2.340 1.00 0.45 H new ATOM 0 HD23 LEU A 41 0.673 3.799 2.675 1.00 0.45 H new ATOM 599 N ARG A 42 -4.261 2.231 4.510 1.00 0.23 N ATOM 600 CA ARG A 42 -5.109 1.152 4.952 1.00 0.21 C ATOM 601 C ARG A 42 -5.108 0.136 3.842 1.00 0.21 C ATOM 602 O ARG A 42 -4.662 0.458 2.759 1.00 0.27 O ATOM 603 CB ARG A 42 -6.508 1.627 5.218 1.00 0.24 C ATOM 604 CG ARG A 42 -6.552 2.758 6.199 1.00 0.32 C ATOM 605 CD ARG A 42 -7.978 3.160 6.431 1.00 0.39 C ATOM 606 NE ARG A 42 -8.095 4.204 7.446 1.00 0.99 N ATOM 607 CZ ARG A 42 -9.049 5.135 7.463 1.00 1.25 C ATOM 608 NH1 ARG A 42 -9.971 5.169 6.508 1.00 1.20 N ATOM 609 NH2 ARG A 42 -9.073 6.035 8.436 1.00 1.94 N ATOM 0 H ARG A 42 -4.439 2.530 3.551 1.00 0.23 H new ATOM 0 HA ARG A 42 -4.739 0.732 5.887 1.00 0.21 H new ATOM 0 HB2 ARG A 42 -6.965 1.945 4.281 1.00 0.24 H new ATOM 0 HB3 ARG A 42 -7.104 0.797 5.598 1.00 0.24 H new ATOM 0 HG2 ARG A 42 -6.090 2.457 7.139 1.00 0.32 H new ATOM 0 HG3 ARG A 42 -5.981 3.605 5.820 1.00 0.32 H new ATOM 0 HD2 ARG A 42 -8.411 3.514 5.496 1.00 0.39 H new ATOM 0 HD3 ARG A 42 -8.555 2.288 6.740 1.00 0.39 H new ATOM 0 HE ARG A 42 -7.400 4.222 8.192 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -9.952 4.480 5.756 1.00 1.20 H new ATOM 0 HH12 ARG A 42 -10.698 5.884 6.527 1.00 1.20 H new ATOM 0 HH21 ARG A 42 -8.363 6.014 9.168 1.00 1.94 H new ATOM 0 HH22 ARG A 42 -9.801 6.749 8.452 1.00 1.94 H new ATOM 623 N TYR A 43 -5.475 -1.095 4.097 1.00 0.22 N ATOM 624 CA TYR A 43 -5.734 -1.999 2.998 1.00 0.25 C ATOM 625 C TYR A 43 -6.640 -3.124 3.401 1.00 0.33 C ATOM 626 O TYR A 43 -6.844 -3.373 4.595 1.00 0.41 O ATOM 627 CB TYR A 43 -4.442 -2.549 2.421 1.00 0.26 C ATOM 628 CG TYR A 43 -3.660 -3.437 3.365 1.00 0.39 C ATOM 629 CD1 TYR A 43 -2.740 -2.896 4.239 1.00 0.70 C ATOM 630 CD2 TYR A 43 -3.857 -4.815 3.389 1.00 0.98 C ATOM 631 CE1 TYR A 43 -2.034 -3.689 5.115 1.00 0.77 C ATOM 632 CE2 TYR A 43 -3.150 -5.619 4.262 1.00 1.14 C ATOM 633 CZ TYR A 43 -2.240 -5.049 5.123 1.00 0.76 C ATOM 634 OH TYR A 43 -1.535 -5.838 6.003 1.00 0.97 O ATOM 0 H TYR A 43 -5.600 -1.490 5.029 1.00 0.22 H new ATOM 0 HA TYR A 43 -6.241 -1.419 2.227 1.00 0.25 H new ATOM 0 HB2 TYR A 43 -4.674 -3.115 1.519 1.00 0.26 H new ATOM 0 HB3 TYR A 43 -3.809 -1.714 2.120 1.00 0.26 H new ATOM 0 HD1 TYR A 43 -2.570 -1.829 4.236 1.00 0.70 H new ATOM 0 HD2 TYR A 43 -4.573 -5.262 2.715 1.00 0.98 H new ATOM 0 HE1 TYR A 43 -1.321 -3.245 5.794 1.00 0.77 H new ATOM 0 HE2 TYR A 43 -3.310 -6.687 4.269 1.00 1.14 H new ATOM 0 HH TYR A 43 -0.801 -6.282 5.529 1.00 0.97 H new ATOM 644 N ARG A 44 -7.150 -3.803 2.383 1.00 0.35 N ATOM 645 CA ARG A 44 -7.930 -5.004 2.561 1.00 0.43 C ATOM 646 C ARG A 44 -7.128 -6.198 2.064 1.00 0.47 C ATOM 647 O ARG A 44 -6.403 -6.110 1.056 1.00 0.50 O ATOM 648 CB ARG A 44 -9.275 -4.917 1.837 1.00 0.57 C ATOM 649 CG ARG A 44 -10.215 -3.872 2.415 1.00 1.17 C ATOM 650 CD ARG A 44 -11.636 -4.065 1.912 1.00 1.33 C ATOM 651 NE ARG A 44 -12.531 -3.027 2.410 1.00 1.56 N ATOM 652 CZ ARG A 44 -13.766 -3.243 2.860 1.00 1.98 C ATOM 653 NH1 ARG A 44 -14.243 -4.480 2.950 1.00 2.27 N ATOM 654 NH2 ARG A 44 -14.520 -2.212 3.222 1.00 2.72 N ATOM 0 H ARG A 44 -7.030 -3.529 1.408 1.00 0.35 H new ATOM 0 HA ARG A 44 -8.147 -5.124 3.622 1.00 0.43 H new ATOM 0 HB2 ARG A 44 -9.097 -4.691 0.786 1.00 0.57 H new ATOM 0 HB3 ARG A 44 -9.762 -5.891 1.876 1.00 0.57 H new ATOM 0 HG2 ARG A 44 -10.202 -3.931 3.503 1.00 1.17 H new ATOM 0 HG3 ARG A 44 -9.864 -2.876 2.145 1.00 1.17 H new ATOM 0 HD2 ARG A 44 -11.640 -4.057 0.822 1.00 1.33 H new ATOM 0 HD3 ARG A 44 -12.003 -5.043 2.225 1.00 1.33 H new ATOM 0 HE ARG A 44 -12.187 -2.067 2.414 1.00 1.56 H new ATOM 0 HH11 ARG A 44 -13.662 -5.272 2.674 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -15.190 -4.638 3.296 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -14.153 -1.263 3.154 1.00 2.72 H new ATOM 0 HH22 ARG A 44 -15.467 -2.369 3.568 1.00 2.72 H new ATOM 668 N ASN A 45 -7.285 -7.308 2.766 1.00 0.55 N ATOM 669 CA ASN A 45 -6.439 -8.473 2.592 1.00 0.90 C ATOM 670 C ASN A 45 -7.270 -9.735 2.367 1.00 1.23 C ATOM 671 O ASN A 45 -8.117 -10.071 3.178 1.00 1.89 O ATOM 672 CB ASN A 45 -5.572 -8.605 3.849 1.00 1.76 C ATOM 673 CG ASN A 45 -4.663 -9.819 3.860 1.00 2.34 C ATOM 674 OD1 ASN A 45 -4.282 -10.345 2.820 1.00 3.04 O ATOM 675 ND2 ASN A 45 -4.295 -10.259 5.053 1.00 2.60 N ATOM 0 H ASN A 45 -8.008 -7.425 3.476 1.00 0.55 H new ATOM 0 HA ASN A 45 -5.813 -8.352 1.708 1.00 0.90 H new ATOM 0 HB2 ASN A 45 -4.961 -7.708 3.950 1.00 1.76 H new ATOM 0 HB3 ASN A 45 -6.223 -8.646 4.722 1.00 1.76 H new ATOM 0 HD21 ASN A 45 -3.673 -11.063 5.130 1.00 2.60 H new ATOM 0 HD22 ASN A 45 -4.634 -9.794 5.895 1.00 2.60 H new ATOM 723 N GLN A 49 -8.365 -9.906 6.052 1.00 1.21 N ATOM 724 CA GLN A 49 -8.740 -8.594 5.547 1.00 1.14 C ATOM 725 C GLN A 49 -8.699 -7.472 6.566 1.00 1.20 C ATOM 726 O GLN A 49 -9.641 -6.691 6.694 1.00 1.90 O ATOM 727 CB GLN A 49 -10.087 -8.627 4.930 1.00 1.97 C ATOM 728 CG GLN A 49 -10.083 -7.774 3.706 1.00 2.63 C ATOM 729 CD GLN A 49 -10.747 -8.413 2.517 1.00 3.38 C ATOM 730 OE1 GLN A 49 -11.732 -9.137 2.641 1.00 4.20 O ATOM 731 NE2 GLN A 49 -10.167 -8.175 1.355 1.00 3.27 N ATOM 0 HA GLN A 49 -7.973 -8.368 4.806 1.00 1.14 H new ATOM 0 HB2 GLN A 49 -10.359 -9.651 4.674 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -10.834 -8.267 5.637 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -10.586 -6.833 3.929 1.00 2.63 H new ATOM 0 HG3 GLN A 49 -9.052 -7.531 3.447 1.00 2.63 H new ATOM 0 HE21 GLN A 49 -9.351 -7.565 1.308 1.00 3.27 H new ATOM 0 HE22 GLN A 49 -10.535 -8.601 0.504 1.00 3.27 H new ATOM 740 N SER A 50 -7.618 -7.401 7.254 1.00 0.86 N ATOM 741 CA SER A 50 -7.375 -6.357 8.235 1.00 0.87 C ATOM 742 C SER A 50 -7.176 -5.005 7.557 1.00 0.98 C ATOM 743 O SER A 50 -6.252 -4.857 6.757 1.00 1.72 O ATOM 744 CB SER A 50 -6.131 -6.701 9.027 1.00 0.91 C ATOM 745 OG SER A 50 -5.935 -8.104 9.065 1.00 1.46 O ATOM 0 H SER A 50 -6.852 -8.069 7.164 1.00 0.86 H new ATOM 0 HA SER A 50 -8.241 -6.291 8.893 1.00 0.87 H new ATOM 0 HB2 SER A 50 -5.263 -6.219 8.578 1.00 0.91 H new ATOM 0 HB3 SER A 50 -6.221 -6.313 10.042 1.00 0.91 H new ATOM 0 HG SER A 50 -5.126 -8.307 9.579 1.00 1.46 H new ATOM 751 N MET A 51 -8.046 -4.033 7.853 1.00 0.51 N ATOM 752 CA MET A 51 -7.811 -2.652 7.419 1.00 0.48 C ATOM 753 C MET A 51 -6.562 -2.125 8.098 1.00 0.44 C ATOM 754 O MET A 51 -6.625 -1.522 9.169 1.00 0.59 O ATOM 755 CB MET A 51 -8.992 -1.717 7.727 1.00 0.57 C ATOM 756 CG MET A 51 -9.709 -2.017 9.034 1.00 1.07 C ATOM 757 SD MET A 51 -11.016 -0.827 9.389 1.00 1.84 S ATOM 758 CE MET A 51 -10.074 0.695 9.440 1.00 2.35 C ATOM 0 H MET A 51 -8.906 -4.173 8.383 1.00 0.51 H new ATOM 0 HA MET A 51 -7.691 -2.668 6.336 1.00 0.48 H new ATOM 0 HB2 MET A 51 -8.628 -0.690 7.754 1.00 0.57 H new ATOM 0 HB3 MET A 51 -9.711 -1.779 6.910 1.00 0.57 H new ATOM 0 HG2 MET A 51 -10.136 -3.019 8.990 1.00 1.07 H new ATOM 0 HG3 MET A 51 -8.987 -2.014 9.851 1.00 1.07 H new ATOM 0 HE1 MET A 51 -10.605 1.431 10.043 1.00 2.35 H new ATOM 0 HE2 MET A 51 -9.096 0.503 9.880 1.00 2.35 H new ATOM 0 HE3 MET A 51 -9.947 1.079 8.428 1.00 2.35 H new ATOM 768 N ARG A 52 -5.426 -2.369 7.482 1.00 0.35 N ATOM 769 CA ARG A 52 -4.163 -2.037 8.102 1.00 0.36 C ATOM 770 C ARG A 52 -3.387 -1.077 7.235 1.00 0.28 C ATOM 771 O ARG A 52 -3.603 -0.995 6.043 1.00 0.30 O ATOM 772 CB ARG A 52 -3.340 -3.300 8.341 1.00 0.48 C ATOM 773 CG ARG A 52 -2.043 -3.049 9.060 1.00 0.75 C ATOM 774 CD ARG A 52 -1.142 -4.249 8.915 1.00 0.70 C ATOM 775 NE ARG A 52 -0.375 -4.514 10.130 1.00 1.42 N ATOM 776 CZ ARG A 52 0.922 -4.810 10.151 1.00 1.76 C ATOM 777 NH1 ARG A 52 1.634 -4.786 9.031 1.00 1.81 N ATOM 778 NH2 ARG A 52 1.507 -5.112 11.303 1.00 2.48 N ATOM 0 H ARG A 52 -5.351 -2.794 6.558 1.00 0.35 H new ATOM 0 HA ARG A 52 -4.367 -1.561 9.061 1.00 0.36 H new ATOM 0 HB2 ARG A 52 -3.935 -4.007 8.919 1.00 0.48 H new ATOM 0 HB3 ARG A 52 -3.128 -3.772 7.382 1.00 0.48 H new ATOM 0 HG2 ARG A 52 -1.555 -2.164 8.652 1.00 0.75 H new ATOM 0 HG3 ARG A 52 -2.233 -2.850 10.115 1.00 0.75 H new ATOM 0 HD2 ARG A 52 -1.743 -5.124 8.669 1.00 0.70 H new ATOM 0 HD3 ARG A 52 -0.457 -4.088 8.083 1.00 0.70 H new ATOM 0 HE ARG A 52 -0.867 -4.469 11.022 1.00 1.42 H new ATOM 0 HH11 ARG A 52 1.187 -4.540 8.148 1.00 1.81 H new ATOM 0 HH12 ARG A 52 2.628 -5.014 9.054 1.00 1.81 H new ATOM 0 HH21 ARG A 52 0.963 -5.116 12.166 1.00 2.48 H new ATOM 0 HH22 ARG A 52 2.501 -5.340 11.326 1.00 2.48 H new ATOM 792 N GLY A 53 -2.506 -0.344 7.852 1.00 0.32 N ATOM 793 CA GLY A 53 -1.666 0.566 7.132 1.00 0.35 C ATOM 794 C GLY A 53 -0.277 0.047 6.882 1.00 0.32 C ATOM 795 O GLY A 53 0.178 -0.922 7.494 1.00 0.41 O ATOM 0 H GLY A 53 -2.351 -0.360 8.860 1.00 0.32 H new ATOM 0 HA2 GLY A 53 -2.134 0.797 6.175 1.00 0.35 H new ATOM 0 HA3 GLY A 53 -1.599 1.501 7.689 1.00 0.35 H new ATOM 799 N VAL A 54 0.378 0.723 5.972 1.00 0.31 N ATOM 800 CA VAL A 54 1.704 0.376 5.521 1.00 0.31 C ATOM 801 C VAL A 54 2.736 1.237 6.237 1.00 0.28 C ATOM 802 O VAL A 54 2.511 2.425 6.473 1.00 0.29 O ATOM 803 CB VAL A 54 1.820 0.538 3.987 1.00 0.36 C ATOM 804 CG1 VAL A 54 3.241 0.285 3.509 1.00 0.40 C ATOM 805 CG2 VAL A 54 0.859 -0.415 3.291 1.00 0.43 C ATOM 0 H VAL A 54 -0.004 1.550 5.513 1.00 0.31 H new ATOM 0 HA VAL A 54 1.895 -0.670 5.761 1.00 0.31 H new ATOM 0 HB VAL A 54 1.559 1.566 3.735 1.00 0.36 H new ATOM 0 HG11 VAL A 54 3.288 0.407 2.427 1.00 0.40 H new ATOM 0 HG12 VAL A 54 3.917 0.996 3.984 1.00 0.40 H new ATOM 0 HG13 VAL A 54 3.538 -0.730 3.773 1.00 0.40 H new ATOM 0 HG21 VAL A 54 0.946 -0.295 2.211 1.00 0.43 H new ATOM 0 HG22 VAL A 54 1.104 -1.442 3.563 1.00 0.43 H new ATOM 0 HG23 VAL A 54 -0.162 -0.191 3.599 1.00 0.43 H new ATOM 815 N ARG A 55 3.849 0.618 6.595 1.00 0.30 N ATOM 816 CA ARG A 55 4.888 1.243 7.368 1.00 0.33 C ATOM 817 C ARG A 55 5.529 2.416 6.646 1.00 0.33 C ATOM 818 O ARG A 55 5.823 2.328 5.471 1.00 0.36 O ATOM 819 CB ARG A 55 5.947 0.208 7.627 1.00 0.42 C ATOM 820 CG ARG A 55 6.215 0.047 9.071 1.00 0.63 C ATOM 821 CD ARG A 55 7.037 1.218 9.531 1.00 1.67 C ATOM 822 NE ARG A 55 7.523 1.064 10.902 1.00 2.30 N ATOM 823 CZ ARG A 55 8.245 1.977 11.552 1.00 3.38 C ATOM 824 NH1 ARG A 55 8.474 3.166 11.009 1.00 4.11 N ATOM 825 NH2 ARG A 55 8.707 1.709 12.765 1.00 3.89 N ATOM 0 H ARG A 55 4.051 -0.351 6.348 1.00 0.30 H new ATOM 0 HA ARG A 55 4.446 1.627 8.287 1.00 0.33 H new ATOM 0 HB2 ARG A 55 5.632 -0.747 7.207 1.00 0.42 H new ATOM 0 HB3 ARG A 55 6.867 0.493 7.116 1.00 0.42 H new ATOM 0 HG2 ARG A 55 5.279 -0.002 9.628 1.00 0.63 H new ATOM 0 HG3 ARG A 55 6.746 -0.886 9.257 1.00 0.63 H new ATOM 0 HD2 ARG A 55 7.887 1.345 8.861 1.00 1.67 H new ATOM 0 HD3 ARG A 55 6.438 2.126 9.462 1.00 1.67 H new ATOM 0 HE ARG A 55 7.294 0.200 11.394 1.00 2.30 H new ATOM 0 HH11 ARG A 55 8.097 3.387 10.088 1.00 4.11 H new ATOM 0 HH12 ARG A 55 9.027 3.859 11.513 1.00 4.11 H new ATOM 0 HH21 ARG A 55 8.510 0.807 13.198 1.00 3.89 H new ATOM 0 HH22 ARG A 55 9.260 2.405 13.265 1.00 3.89 H new ATOM 839 N LEU A 56 5.725 3.522 7.338 1.00 0.37 N ATOM 840 CA LEU A 56 6.595 4.564 6.830 1.00 0.38 C ATOM 841 C LEU A 56 7.868 4.639 7.676 1.00 0.40 C ATOM 842 O LEU A 56 7.810 4.788 8.894 1.00 0.48 O ATOM 843 CB LEU A 56 5.894 5.944 6.707 1.00 0.45 C ATOM 844 CG LEU A 56 4.791 6.332 7.721 1.00 0.58 C ATOM 845 CD1 LEU A 56 3.525 5.520 7.500 1.00 1.48 C ATOM 846 CD2 LEU A 56 5.262 6.204 9.159 1.00 1.53 C ATOM 0 H LEU A 56 5.299 3.721 8.243 1.00 0.37 H new ATOM 0 HA LEU A 56 6.867 4.293 5.810 1.00 0.38 H new ATOM 0 HB2 LEU A 56 6.668 6.709 6.758 1.00 0.45 H new ATOM 0 HB3 LEU A 56 5.456 6.000 5.711 1.00 0.45 H new ATOM 0 HG LEU A 56 4.561 7.383 7.544 1.00 0.58 H new ATOM 0 HD11 LEU A 56 2.770 5.817 8.228 1.00 1.48 H new ATOM 0 HD12 LEU A 56 3.148 5.700 6.493 1.00 1.48 H new ATOM 0 HD13 LEU A 56 3.747 4.460 7.620 1.00 1.48 H new ATOM 0 HD21 LEU A 56 4.454 6.487 9.833 1.00 1.53 H new ATOM 0 HD22 LEU A 56 5.554 5.172 9.356 1.00 1.53 H new ATOM 0 HD23 LEU A 56 6.117 6.861 9.322 1.00 1.53 H new ATOM 858 N VAL A 57 9.022 4.466 7.038 1.00 0.37 N ATOM 859 CA VAL A 57 10.285 4.489 7.749 1.00 0.42 C ATOM 860 C VAL A 57 11.216 5.497 7.106 1.00 0.44 C ATOM 861 O VAL A 57 11.636 5.308 5.976 1.00 0.43 O ATOM 862 CB VAL A 57 10.987 3.114 7.724 1.00 0.44 C ATOM 863 CG1 VAL A 57 12.015 3.025 8.838 1.00 0.53 C ATOM 864 CG2 VAL A 57 9.988 1.975 7.824 1.00 0.49 C ATOM 0 H VAL A 57 9.103 4.309 6.033 1.00 0.37 H new ATOM 0 HA VAL A 57 10.065 4.757 8.783 1.00 0.42 H new ATOM 0 HB VAL A 57 11.498 3.018 6.766 1.00 0.44 H new ATOM 0 HG11 VAL A 57 12.501 2.050 8.807 1.00 0.53 H new ATOM 0 HG12 VAL A 57 12.762 3.808 8.707 1.00 0.53 H new ATOM 0 HG13 VAL A 57 11.520 3.153 9.801 1.00 0.53 H new ATOM 0 HG21 VAL A 57 10.518 1.023 7.803 1.00 0.49 H new ATOM 0 HG22 VAL A 57 9.431 2.060 8.757 1.00 0.49 H new ATOM 0 HG23 VAL A 57 9.296 2.023 6.983 1.00 0.49 H new ATOM 874 N GLU A 58 11.527 6.559 7.832 1.00 0.53 N ATOM 875 CA GLU A 58 12.474 7.585 7.384 1.00 0.60 C ATOM 876 C GLU A 58 12.148 8.110 5.978 1.00 0.54 C ATOM 877 O GLU A 58 13.050 8.419 5.199 1.00 0.60 O ATOM 878 CB GLU A 58 13.901 7.023 7.425 1.00 0.71 C ATOM 879 CG GLU A 58 14.147 6.161 8.647 1.00 0.78 C ATOM 880 CD GLU A 58 15.590 5.737 8.818 1.00 1.12 C ATOM 881 OE1 GLU A 58 16.414 6.571 9.243 1.00 1.51 O ATOM 882 OE2 GLU A 58 15.914 4.572 8.497 1.00 1.50 O ATOM 0 H GLU A 58 11.131 6.741 8.754 1.00 0.53 H new ATOM 0 HA GLU A 58 12.390 8.431 8.066 1.00 0.60 H new ATOM 0 HB2 GLU A 58 14.083 6.434 6.526 1.00 0.71 H new ATOM 0 HB3 GLU A 58 14.614 7.848 7.416 1.00 0.71 H new ATOM 0 HG2 GLU A 58 13.832 6.709 9.535 1.00 0.78 H new ATOM 0 HG3 GLU A 58 13.522 5.270 8.583 1.00 0.78 H new ATOM 889 N GLY A 59 10.861 8.230 5.662 1.00 0.49 N ATOM 890 CA GLY A 59 10.459 8.726 4.352 1.00 0.49 C ATOM 891 C GLY A 59 10.171 7.616 3.364 1.00 0.45 C ATOM 892 O GLY A 59 9.760 7.875 2.230 1.00 0.51 O ATOM 0 H GLY A 59 10.090 7.994 6.286 1.00 0.49 H new ATOM 0 HA2 GLY A 59 9.570 9.347 4.462 1.00 0.49 H new ATOM 0 HA3 GLY A 59 11.247 9.365 3.953 1.00 0.49 H new ATOM 896 N ILE A 60 10.380 6.381 3.783 1.00 0.38 N ATOM 897 CA ILE A 60 10.065 5.241 2.949 1.00 0.35 C ATOM 898 C ILE A 60 8.749 4.625 3.371 1.00 0.31 C ATOM 899 O ILE A 60 8.399 4.657 4.539 1.00 0.32 O ATOM 900 CB ILE A 60 11.098 4.139 3.043 1.00 0.35 C ATOM 901 CG1 ILE A 60 12.464 4.712 3.293 1.00 0.43 C ATOM 902 CG2 ILE A 60 11.095 3.356 1.749 1.00 0.38 C ATOM 903 CD1 ILE A 60 13.458 3.648 3.590 1.00 0.49 C ATOM 0 H ILE A 60 10.767 6.144 4.697 1.00 0.38 H new ATOM 0 HA ILE A 60 10.031 5.627 1.930 1.00 0.35 H new ATOM 0 HB ILE A 60 10.849 3.482 3.876 1.00 0.35 H new ATOM 0 HG12 ILE A 60 12.787 5.279 2.420 1.00 0.43 H new ATOM 0 HG13 ILE A 60 12.419 5.411 4.128 1.00 0.43 H new ATOM 0 HG21 ILE A 60 11.836 2.558 1.805 1.00 0.38 H new ATOM 0 HG22 ILE A 60 10.108 2.923 1.588 1.00 0.38 H new ATOM 0 HG23 ILE A 60 11.339 4.021 0.921 1.00 0.38 H new ATOM 0 HD11 ILE A 60 14.434 4.101 3.765 1.00 0.49 H new ATOM 0 HD12 ILE A 60 13.148 3.098 4.479 1.00 0.49 H new ATOM 0 HD13 ILE A 60 13.522 2.964 2.744 1.00 0.49 H new ATOM 915 N LEU A 61 8.023 4.069 2.435 1.00 0.31 N ATOM 916 CA LEU A 61 6.841 3.300 2.763 1.00 0.31 C ATOM 917 C LEU A 61 7.193 1.816 2.653 1.00 0.31 C ATOM 918 O LEU A 61 7.508 1.338 1.568 1.00 0.35 O ATOM 919 CB LEU A 61 5.702 3.666 1.807 1.00 0.37 C ATOM 920 CG LEU A 61 4.301 3.253 2.257 1.00 0.69 C ATOM 921 CD1 LEU A 61 3.879 4.044 3.488 1.00 0.94 C ATOM 922 CD2 LEU A 61 3.304 3.443 1.127 1.00 1.07 C ATOM 0 H LEU A 61 8.227 4.132 1.438 1.00 0.31 H new ATOM 0 HA LEU A 61 6.508 3.520 3.777 1.00 0.31 H new ATOM 0 HB2 LEU A 61 5.712 4.745 1.656 1.00 0.37 H new ATOM 0 HB3 LEU A 61 5.903 3.207 0.839 1.00 0.37 H new ATOM 0 HG LEU A 61 4.320 2.196 2.523 1.00 0.69 H new ATOM 0 HD11 LEU A 61 2.879 3.736 3.793 1.00 0.94 H new ATOM 0 HD12 LEU A 61 4.581 3.855 4.300 1.00 0.94 H new ATOM 0 HD13 LEU A 61 3.875 5.108 3.253 1.00 0.94 H new ATOM 0 HD21 LEU A 61 2.311 3.144 1.464 1.00 1.07 H new ATOM 0 HD22 LEU A 61 3.286 4.492 0.830 1.00 1.07 H new ATOM 0 HD23 LEU A 61 3.598 2.830 0.275 1.00 1.07 H new ATOM 934 N HIS A 62 7.170 1.086 3.764 1.00 0.33 N ATOM 935 CA HIS A 62 7.582 -0.304 3.741 1.00 0.38 C ATOM 936 C HIS A 62 6.407 -1.241 3.980 1.00 0.40 C ATOM 937 O HIS A 62 5.703 -1.155 4.992 1.00 0.38 O ATOM 938 CB HIS A 62 8.664 -0.562 4.792 1.00 0.48 C ATOM 939 CG HIS A 62 9.445 -1.827 4.565 1.00 0.63 C ATOM 940 ND1 HIS A 62 9.559 -2.831 5.505 1.00 1.41 N ATOM 941 CD2 HIS A 62 10.173 -2.233 3.498 1.00 1.33 C ATOM 942 CE1 HIS A 62 10.322 -3.797 5.023 1.00 1.50 C ATOM 943 NE2 HIS A 62 10.706 -3.456 3.808 1.00 1.43 N ATOM 0 H HIS A 62 6.874 1.432 4.677 1.00 0.33 H new ATOM 0 HA HIS A 62 7.985 -0.505 2.749 1.00 0.38 H new ATOM 0 HB2 HIS A 62 9.354 0.282 4.804 1.00 0.48 H new ATOM 0 HB3 HIS A 62 8.198 -0.606 5.776 1.00 0.48 H new ATOM 0 HD2 HIS A 62 10.308 -1.692 2.573 1.00 1.33 H new ATOM 0 HE1 HIS A 62 10.586 -4.710 5.536 1.00 1.50 H new ATOM 0 HE2 HIS A 62 11.304 -4.013 3.198 1.00 1.43 H new ATOM 952 N ALA A 63 6.200 -2.122 3.023 1.00 0.54 N ATOM 953 CA ALA A 63 5.332 -3.268 3.202 1.00 0.58 C ATOM 954 C ALA A 63 6.130 -4.309 3.968 1.00 0.68 C ATOM 955 O ALA A 63 7.355 -4.195 4.019 1.00 0.83 O ATOM 956 CB ALA A 63 4.871 -3.809 1.856 1.00 0.72 C ATOM 0 H ALA A 63 6.629 -2.064 2.099 1.00 0.54 H new ATOM 0 HA ALA A 63 4.432 -2.995 3.753 1.00 0.58 H new ATOM 0 HB1 ALA A 63 4.220 -4.669 2.013 1.00 0.72 H new ATOM 0 HB2 ALA A 63 4.324 -3.033 1.320 1.00 0.72 H new ATOM 0 HB3 ALA A 63 5.738 -4.112 1.269 1.00 0.72 H new ATOM 962 N PRO A 64 5.507 -5.323 4.585 1.00 0.81 N ATOM 963 CA PRO A 64 6.247 -6.262 5.415 1.00 1.14 C ATOM 964 C PRO A 64 7.246 -7.016 4.562 1.00 1.27 C ATOM 965 O PRO A 64 6.983 -7.260 3.379 1.00 1.16 O ATOM 966 CB PRO A 64 5.172 -7.194 5.983 1.00 1.29 C ATOM 967 CG PRO A 64 3.893 -6.468 5.748 1.00 1.16 C ATOM 968 CD PRO A 64 4.107 -5.727 4.464 1.00 0.81 C ATOM 0 HA PRO A 64 6.820 -5.782 6.209 1.00 1.14 H new ATOM 0 HB2 PRO A 64 5.178 -8.161 5.480 1.00 1.29 H new ATOM 0 HB3 PRO A 64 5.332 -7.385 7.044 1.00 1.29 H new ATOM 0 HG2 PRO A 64 3.054 -7.159 5.671 1.00 1.16 H new ATOM 0 HG3 PRO A 64 3.669 -5.785 6.567 1.00 1.16 H new ATOM 0 HD2 PRO A 64 3.937 -6.360 3.593 1.00 0.81 H new ATOM 0 HD3 PRO A 64 3.440 -4.870 4.370 1.00 0.81 H new ATOM 976 N ASP A 65 8.354 -7.408 5.175 1.00 1.69 N ATOM 977 CA ASP A 65 9.508 -7.953 4.458 1.00 2.00 C ATOM 978 C ASP A 65 9.098 -8.985 3.428 1.00 1.88 C ATOM 979 O ASP A 65 9.572 -8.977 2.296 1.00 2.05 O ATOM 980 CB ASP A 65 10.465 -8.604 5.451 1.00 2.48 C ATOM 981 CG ASP A 65 11.273 -7.579 6.227 1.00 2.81 C ATOM 982 OD1 ASP A 65 10.765 -7.057 7.239 1.00 2.88 O ATOM 983 OD2 ASP A 65 12.426 -7.301 5.834 1.00 3.12 O ATOM 0 H ASP A 65 8.483 -7.359 6.186 1.00 1.69 H new ATOM 0 HA ASP A 65 9.993 -7.126 3.940 1.00 2.00 H new ATOM 0 HB2 ASP A 65 9.898 -9.220 6.149 1.00 2.48 H new ATOM 0 HB3 ASP A 65 11.143 -9.269 4.916 1.00 2.48 H new ATOM 988 N ALA A 66 8.197 -9.845 3.830 1.00 1.72 N ATOM 989 CA ALA A 66 7.714 -10.905 2.990 1.00 1.72 C ATOM 990 C ALA A 66 6.306 -11.249 3.415 1.00 1.60 C ATOM 991 O ALA A 66 5.895 -12.406 3.364 1.00 2.08 O ATOM 992 CB ALA A 66 8.619 -12.095 3.165 1.00 2.14 C ATOM 0 H ALA A 66 7.776 -9.827 4.759 1.00 1.72 H new ATOM 0 HA ALA A 66 7.708 -10.606 1.942 1.00 1.72 H new ATOM 0 HB1 ALA A 66 8.270 -12.913 2.535 1.00 2.14 H new ATOM 0 HB2 ALA A 66 9.635 -11.824 2.879 1.00 2.14 H new ATOM 0 HB3 ALA A 66 8.608 -12.410 4.208 1.00 2.14 H new ATOM 998 N GLY A 67 5.593 -10.228 3.872 1.00 1.28 N ATOM 999 CA GLY A 67 4.285 -10.437 4.451 1.00 1.56 C ATOM 1000 C GLY A 67 3.275 -11.025 3.488 1.00 1.12 C ATOM 1001 O GLY A 67 3.114 -12.244 3.418 1.00 1.42 O ATOM 0 H GLY A 67 5.901 -9.256 3.851 1.00 1.28 H new ATOM 0 HA2 GLY A 67 4.381 -11.100 5.311 1.00 1.56 H new ATOM 0 HA3 GLY A 67 3.907 -9.485 4.823 1.00 1.56 H new ATOM 1005 N TRP A 68 2.583 -10.165 2.759 1.00 0.81 N ATOM 1006 CA TRP A 68 1.493 -10.585 1.928 1.00 0.98 C ATOM 1007 C TRP A 68 1.874 -10.450 0.474 1.00 1.13 C ATOM 1008 O TRP A 68 2.202 -11.427 -0.199 1.00 1.83 O ATOM 1009 CB TRP A 68 0.284 -9.708 2.236 1.00 1.31 C ATOM 1010 CG TRP A 68 0.489 -8.815 3.427 1.00 1.41 C ATOM 1011 CD1 TRP A 68 0.640 -7.462 3.432 1.00 1.54 C ATOM 1012 CD2 TRP A 68 0.589 -9.231 4.785 1.00 1.97 C ATOM 1013 NE1 TRP A 68 0.819 -7.015 4.714 1.00 1.59 N ATOM 1014 CE2 TRP A 68 0.787 -8.086 5.567 1.00 2.00 C ATOM 1015 CE3 TRP A 68 0.523 -10.469 5.400 1.00 2.82 C ATOM 1016 CZ2 TRP A 68 0.923 -8.147 6.952 1.00 2.75 C ATOM 1017 CZ3 TRP A 68 0.657 -10.539 6.773 1.00 3.69 C ATOM 1018 CH2 TRP A 68 0.851 -9.382 7.539 1.00 3.62 C ATOM 0 H TRP A 68 2.769 -9.162 2.734 1.00 0.81 H new ATOM 0 HA TRP A 68 1.253 -11.630 2.126 1.00 0.98 H new ATOM 0 HB2 TRP A 68 0.057 -9.094 1.364 1.00 1.31 H new ATOM 0 HB3 TRP A 68 -0.583 -10.345 2.412 1.00 1.31 H new ATOM 0 HD1 TRP A 68 0.621 -6.834 2.554 1.00 1.54 H new ATOM 0 HE1 TRP A 68 0.954 -6.042 4.989 1.00 1.59 H new ATOM 0 HE3 TRP A 68 0.369 -11.365 4.817 1.00 2.82 H new ATOM 0 HZ2 TRP A 68 1.079 -7.255 7.540 1.00 2.75 H new ATOM 0 HZ3 TRP A 68 0.612 -11.500 7.263 1.00 3.69 H new ATOM 0 HH2 TRP A 68 0.945 -9.466 8.612 1.00 3.62 H new ATOM 1029 N GLY A 69 1.844 -9.221 0.004 1.00 0.79 N ATOM 1030 CA GLY A 69 2.221 -8.959 -1.355 1.00 1.13 C ATOM 1031 C GLY A 69 1.853 -7.580 -1.831 1.00 1.01 C ATOM 1032 O GLY A 69 2.689 -6.685 -1.892 1.00 1.78 O ATOM 0 H GLY A 69 1.565 -8.400 0.542 1.00 0.79 H new ATOM 0 HA2 GLY A 69 3.298 -9.093 -1.456 1.00 1.13 H new ATOM 0 HA3 GLY A 69 1.746 -9.696 -2.003 1.00 1.13 H new ATOM 1036 N ASN A 70 0.579 -7.410 -2.120 1.00 0.53 N ATOM 1037 CA ASN A 70 0.087 -6.246 -2.837 1.00 0.40 C ATOM 1038 C ASN A 70 -1.113 -5.704 -2.150 1.00 0.60 C ATOM 1039 O ASN A 70 -1.088 -4.576 -1.677 1.00 1.48 O ATOM 1040 CB ASN A 70 -0.248 -6.581 -4.293 1.00 0.55 C ATOM 1041 CG ASN A 70 -0.743 -7.998 -4.514 1.00 0.70 C ATOM 1042 OD1 ASN A 70 -1.385 -8.602 -3.650 1.00 1.24 O ATOM 1043 ND2 ASN A 70 -0.455 -8.535 -5.681 1.00 0.75 N ATOM 0 H ASN A 70 -0.149 -8.077 -1.864 1.00 0.53 H new ATOM 0 HA ASN A 70 0.877 -5.495 -2.843 1.00 0.40 H new ATOM 0 HB2 ASN A 70 -1.008 -5.885 -4.647 1.00 0.55 H new ATOM 0 HB3 ASN A 70 0.641 -6.421 -4.903 1.00 0.55 H new ATOM 0 HD21 ASN A 70 -0.765 -9.483 -5.897 1.00 0.75 H new ATOM 0 HD22 ASN A 70 0.078 -8.004 -6.369 1.00 0.75 H new ATOM 1050 N LEU A 71 -2.129 -6.542 -2.032 1.00 0.45 N ATOM 1051 CA LEU A 71 -3.392 -6.166 -1.453 1.00 0.40 C ATOM 1052 C LEU A 71 -3.930 -4.921 -2.069 1.00 0.36 C ATOM 1053 O LEU A 71 -3.281 -4.249 -2.857 1.00 0.43 O ATOM 1054 CB LEU A 71 -3.254 -5.940 0.040 1.00 0.39 C ATOM 1055 CG LEU A 71 -2.498 -7.024 0.834 1.00 0.50 C ATOM 1056 CD1 LEU A 71 -2.952 -8.415 0.422 1.00 0.90 C ATOM 1057 CD2 LEU A 71 -0.994 -6.882 0.685 1.00 0.84 C ATOM 0 H LEU A 71 -2.092 -7.513 -2.342 1.00 0.45 H new ATOM 0 HA LEU A 71 -4.082 -6.988 -1.645 1.00 0.40 H new ATOM 0 HB2 LEU A 71 -2.747 -4.988 0.195 1.00 0.39 H new ATOM 0 HB3 LEU A 71 -4.253 -5.842 0.464 1.00 0.39 H new ATOM 0 HG LEU A 71 -2.738 -6.883 1.888 1.00 0.50 H new ATOM 0 HD11 LEU A 71 -2.404 -9.162 0.996 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -4.020 -8.521 0.614 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -2.759 -8.561 -0.641 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -0.496 -7.664 1.259 1.00 0.84 H new ATOM 0 HD22 LEU A 71 -0.722 -6.975 -0.366 1.00 0.84 H new ATOM 0 HD23 LEU A 71 -0.682 -5.905 1.056 1.00 0.84 H new ATOM 1069 N VAL A 72 -5.126 -4.623 -1.690 1.00 0.36 N ATOM 1070 CA VAL A 72 -5.770 -3.441 -2.161 1.00 0.38 C ATOM 1071 C VAL A 72 -5.652 -2.369 -1.091 1.00 0.31 C ATOM 1072 O VAL A 72 -6.323 -2.425 -0.057 1.00 0.31 O ATOM 1073 CB VAL A 72 -7.227 -3.760 -2.480 1.00 0.49 C ATOM 1074 CG1 VAL A 72 -7.802 -4.570 -1.340 1.00 0.73 C ATOM 1075 CG2 VAL A 72 -8.002 -2.485 -2.732 1.00 0.82 C ATOM 0 H VAL A 72 -5.684 -5.187 -1.049 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.299 -3.074 -3.073 1.00 0.38 H new ATOM 0 HB VAL A 72 -7.299 -4.351 -3.393 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -8.845 -4.807 -1.552 1.00 0.73 H new ATOM 0 HG12 VAL A 72 -7.235 -5.494 -1.228 1.00 0.73 H new ATOM 0 HG13 VAL A 72 -7.741 -3.993 -0.417 1.00 0.73 H new ATOM 0 HG21 VAL A 72 -9.040 -2.729 -2.958 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -7.963 -1.854 -1.844 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -7.562 -1.953 -3.575 1.00 0.82 H new ATOM 1085 N TYR A 73 -4.773 -1.413 -1.318 1.00 0.29 N ATOM 1086 CA TYR A 73 -4.563 -0.366 -0.346 1.00 0.26 C ATOM 1087 C TYR A 73 -5.629 0.715 -0.410 1.00 0.27 C ATOM 1088 O TYR A 73 -6.156 1.041 -1.467 1.00 0.30 O ATOM 1089 CB TYR A 73 -3.195 0.255 -0.537 1.00 0.28 C ATOM 1090 CG TYR A 73 -2.057 -0.716 -0.369 1.00 0.28 C ATOM 1091 CD1 TYR A 73 -0.892 -0.559 -1.087 1.00 0.33 C ATOM 1092 CD2 TYR A 73 -2.145 -1.774 0.518 1.00 0.27 C ATOM 1093 CE1 TYR A 73 0.164 -1.427 -0.927 1.00 0.36 C ATOM 1094 CE2 TYR A 73 -1.096 -2.654 0.685 1.00 0.32 C ATOM 1095 CZ TYR A 73 0.061 -2.472 -0.037 1.00 0.36 C ATOM 1096 OH TYR A 73 1.112 -3.342 0.125 1.00 0.42 O ATOM 0 H TYR A 73 -4.200 -1.342 -2.159 1.00 0.29 H new ATOM 0 HA TYR A 73 -4.629 -0.830 0.638 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -3.142 0.694 -1.533 1.00 0.28 H new ATOM 0 HB3 TYR A 73 -3.073 1.070 0.177 1.00 0.28 H new ATOM 0 HD1 TYR A 73 -0.806 0.259 -1.787 1.00 0.33 H new ATOM 0 HD2 TYR A 73 -3.051 -1.913 1.090 1.00 0.27 H new ATOM 0 HE1 TYR A 73 1.070 -1.289 -1.498 1.00 0.36 H new ATOM 0 HE2 TYR A 73 -1.182 -3.479 1.377 1.00 0.32 H new ATOM 0 HH TYR A 73 0.875 -4.021 0.791 1.00 0.42 H new ATOM 1106 N VAL A 74 -5.935 1.218 0.770 1.00 0.26 N ATOM 1107 CA VAL A 74 -6.959 2.200 1.016 1.00 0.26 C ATOM 1108 C VAL A 74 -6.307 3.536 1.408 1.00 0.33 C ATOM 1109 O VAL A 74 -5.139 3.565 1.801 1.00 0.34 O ATOM 1110 CB VAL A 74 -7.859 1.637 2.134 1.00 0.23 C ATOM 1111 CG1 VAL A 74 -8.609 2.718 2.894 1.00 0.30 C ATOM 1112 CG2 VAL A 74 -8.825 0.628 1.557 1.00 0.26 C ATOM 0 H VAL A 74 -5.449 0.935 1.621 1.00 0.26 H new ATOM 0 HA VAL A 74 -7.563 2.395 0.130 1.00 0.26 H new ATOM 0 HB VAL A 74 -7.205 1.150 2.857 1.00 0.23 H new ATOM 0 HG11 VAL A 74 -9.225 2.259 3.667 1.00 0.30 H new ATOM 0 HG12 VAL A 74 -7.895 3.400 3.356 1.00 0.30 H new ATOM 0 HG13 VAL A 74 -9.246 3.272 2.205 1.00 0.30 H new ATOM 0 HG21 VAL A 74 -9.458 0.234 2.352 1.00 0.26 H new ATOM 0 HG22 VAL A 74 -9.447 1.110 0.803 1.00 0.26 H new ATOM 0 HG23 VAL A 74 -8.267 -0.189 1.099 1.00 0.26 H new ATOM 1122 N VAL A 75 -7.067 4.621 1.355 1.00 0.44 N ATOM 1123 CA VAL A 75 -6.501 5.956 1.431 1.00 0.59 C ATOM 1124 C VAL A 75 -6.603 6.561 2.833 1.00 0.59 C ATOM 1125 O VAL A 75 -7.699 6.741 3.367 1.00 0.80 O ATOM 1126 CB VAL A 75 -7.201 6.911 0.422 1.00 0.95 C ATOM 1127 CG1 VAL A 75 -8.651 7.186 0.801 1.00 1.84 C ATOM 1128 CG2 VAL A 75 -6.441 8.203 0.306 1.00 1.70 C ATOM 0 H VAL A 75 -8.082 4.600 1.259 1.00 0.44 H new ATOM 0 HA VAL A 75 -5.445 5.851 1.180 1.00 0.59 H new ATOM 0 HB VAL A 75 -7.206 6.409 -0.545 1.00 0.95 H new ATOM 0 HG11 VAL A 75 -9.098 7.857 0.068 1.00 1.84 H new ATOM 0 HG12 VAL A 75 -9.206 6.248 0.820 1.00 1.84 H new ATOM 0 HG13 VAL A 75 -8.688 7.650 1.787 1.00 1.84 H new ATOM 0 HG21 VAL A 75 -6.945 8.859 -0.404 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -6.398 8.688 1.281 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -5.429 8.000 -0.043 1.00 1.70 H new ATOM 1138 N ASN A 76 -5.478 6.797 3.491 1.00 0.48 N ATOM 1139 CA ASN A 76 -5.493 7.771 4.569 1.00 0.54 C ATOM 1140 C ASN A 76 -4.301 8.721 4.450 1.00 0.48 C ATOM 1141 O ASN A 76 -3.178 8.281 4.311 1.00 0.45 O ATOM 1142 CB ASN A 76 -5.587 7.092 5.955 1.00 0.67 C ATOM 1143 CG ASN A 76 -4.272 6.802 6.643 1.00 0.97 C ATOM 1144 OD1 ASN A 76 -3.596 7.701 7.141 1.00 1.88 O ATOM 1145 ND2 ASN A 76 -3.948 5.532 6.755 1.00 1.31 N ATOM 0 H ASN A 76 -4.580 6.349 3.309 1.00 0.48 H new ATOM 0 HA ASN A 76 -6.395 8.375 4.474 1.00 0.54 H new ATOM 0 HB2 ASN A 76 -6.184 7.728 6.609 1.00 0.67 H new ATOM 0 HB3 ASN A 76 -6.129 6.153 5.841 1.00 0.67 H new ATOM 0 HD21 ASN A 76 -3.109 5.263 7.270 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -4.535 4.816 6.327 1.00 1.31 H new ATOM 1152 N TYR A 77 -4.545 10.021 4.477 1.00 0.55 N ATOM 1153 CA TYR A 77 -3.475 10.993 4.644 1.00 0.56 C ATOM 1154 C TYR A 77 -3.921 12.098 5.584 1.00 0.68 C ATOM 1155 O TYR A 77 -3.378 12.179 6.703 1.00 1.36 O ATOM 1156 CB TYR A 77 -2.972 11.582 3.329 1.00 0.55 C ATOM 1157 CG TYR A 77 -3.994 11.732 2.225 1.00 0.58 C ATOM 1158 CD1 TYR A 77 -4.112 10.753 1.258 1.00 0.52 C ATOM 1159 CD2 TYR A 77 -4.812 12.851 2.131 1.00 0.70 C ATOM 1160 CE1 TYR A 77 -5.009 10.869 0.223 1.00 0.58 C ATOM 1161 CE2 TYR A 77 -5.724 12.977 1.100 1.00 0.76 C ATOM 1162 CZ TYR A 77 -5.819 11.983 0.147 1.00 0.70 C ATOM 1163 OH TYR A 77 -6.721 12.106 -0.883 1.00 0.79 O ATOM 1164 OXT TYR A 77 -4.853 12.845 5.224 1.00 1.18 O ATOM 0 H TYR A 77 -5.475 10.429 4.385 1.00 0.55 H new ATOM 0 HA TYR A 77 -2.631 10.455 5.075 1.00 0.56 H new ATOM 0 HB2 TYR A 77 -2.545 12.564 3.535 1.00 0.55 H new ATOM 0 HB3 TYR A 77 -2.161 10.953 2.961 1.00 0.55 H new ATOM 0 HD1 TYR A 77 -3.485 9.876 1.316 1.00 0.52 H new ATOM 0 HD2 TYR A 77 -4.734 13.632 2.873 1.00 0.70 H new ATOM 0 HE1 TYR A 77 -5.079 10.094 -0.525 1.00 0.58 H new ATOM 0 HE2 TYR A 77 -6.359 13.849 1.040 1.00 0.76 H new ATOM 0 HH TYR A 77 -6.258 12.423 -1.687 1.00 0.79 H new