USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 34 TYR OH : rot -149:sc= 1.09 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0.922 USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= 0.0818 USER MOD Set 2.2: A 35 CYS SG : rot -73:sc= -0.761 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 1.05 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -151:sc= 2.37 (180deg=0.645) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0744) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.569 (180deg=0.569) USER MOD Single : A 13 MET CE :methyl -166:sc= -0.762 (180deg=-1.55) USER MOD Single : A 14 THR OG1 : rot -41:sc= 0.885 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.56 (180deg=1.27) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= 0.12 K(o=0.12,f=-5.7!) USER MOD Single : A 41 THR OG1 : rot -45:sc= 0.0377 USER MOD Single : A 42 ASN : amide:sc= 0.972 K(o=0.97,f=-0.01) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 0.954 (180deg=-1.86!) USER MOD Single : A 45 HIS : no HE2:sc= 0.776 K(o=0.78,f=-5!) USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.03) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.79 K(o=1.8,f=-11!) USER MOD Single : A 61 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 64 SER OG : rot 74:sc= 1.19 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.065 -12.369 -5.922 1.00 5.67 N ATOM 2 CA MET A 1 -12.089 -11.929 -7.321 1.00 4.50 C ATOM 3 C MET A 1 -13.111 -10.803 -7.372 1.00 3.09 C ATOM 4 O MET A 1 -14.176 -10.968 -6.777 1.00 3.82 O ATOM 5 CB MET A 1 -12.470 -13.078 -8.262 1.00 5.06 C ATOM 6 CG MET A 1 -11.374 -14.153 -8.300 1.00 6.73 C ATOM 7 SD MET A 1 -11.664 -15.522 -9.452 1.00 7.94 S ATOM 8 CE MET A 1 -13.102 -16.307 -8.690 1.00 8.14 C ATOM 0 H1 MET A 1 -11.381 -13.145 -5.814 1.00 5.67 H new ATOM 0 H2 MET A 1 -11.786 -11.574 -5.313 1.00 5.67 H new ATOM 0 H3 MET A 1 -13.011 -12.701 -5.646 1.00 5.67 H new ATOM 0 HA MET A 1 -11.107 -11.593 -7.654 1.00 4.50 H new ATOM 0 HB2 MET A 1 -13.409 -13.524 -7.934 1.00 5.06 H new ATOM 0 HB3 MET A 1 -12.636 -12.689 -9.267 1.00 5.06 H new ATOM 0 HG2 MET A 1 -10.430 -13.675 -8.561 1.00 6.73 H new ATOM 0 HG3 MET A 1 -11.257 -14.564 -7.297 1.00 6.73 H new ATOM 0 HE1 MET A 1 -13.327 -17.238 -9.211 1.00 8.14 H new ATOM 0 HE2 MET A 1 -12.888 -16.520 -7.643 1.00 8.14 H new ATOM 0 HE3 MET A 1 -13.960 -15.638 -8.756 1.00 8.14 H new ATOM 20 N GLY A 2 -12.795 -9.665 -7.991 1.00 2.22 N ATOM 21 CA GLY A 2 -13.606 -8.457 -7.883 1.00 2.63 C ATOM 22 C GLY A 2 -12.690 -7.243 -7.772 1.00 2.38 C ATOM 23 O GLY A 2 -12.982 -6.187 -8.331 1.00 3.40 O ATOM 0 H GLY A 2 -11.970 -9.557 -8.581 1.00 2.22 H new ATOM 0 HA2 GLY A 2 -14.253 -8.360 -8.755 1.00 2.63 H new ATOM 0 HA3 GLY A 2 -14.255 -8.518 -7.010 1.00 2.63 H new ATOM 27 N ASP A 3 -11.559 -7.427 -7.085 1.00 2.25 N ATOM 28 CA ASP A 3 -10.378 -6.596 -7.235 1.00 1.74 C ATOM 29 C ASP A 3 -10.671 -5.166 -6.766 1.00 1.51 C ATOM 30 O ASP A 3 -10.901 -4.933 -5.581 1.00 2.57 O ATOM 31 CB ASP A 3 -9.839 -6.700 -8.678 1.00 1.74 C ATOM 32 CG ASP A 3 -9.469 -8.127 -9.077 1.00 3.25 C ATOM 33 OD1 ASP A 3 -10.373 -8.998 -9.046 1.00 4.73 O ATOM 34 OD2 ASP A 3 -8.287 -8.311 -9.436 1.00 4.01 O ATOM 0 H ASP A 3 -11.444 -8.173 -6.399 1.00 2.25 H new ATOM 0 HA ASP A 3 -9.575 -6.955 -6.591 1.00 1.74 H new ATOM 0 HB2 ASP A 3 -10.591 -6.319 -9.369 1.00 1.74 H new ATOM 0 HB3 ASP A 3 -8.961 -6.062 -8.779 1.00 1.74 H new ATOM 39 N GLY A 4 -10.671 -4.205 -7.692 1.00 1.87 N ATOM 40 CA GLY A 4 -10.942 -2.805 -7.412 1.00 2.37 C ATOM 41 C GLY A 4 -9.623 -2.045 -7.385 1.00 2.05 C ATOM 42 O GLY A 4 -8.776 -2.263 -8.253 1.00 2.84 O ATOM 0 H GLY A 4 -10.478 -4.389 -8.677 1.00 1.87 H new ATOM 0 HA2 GLY A 4 -11.602 -2.389 -8.173 1.00 2.37 H new ATOM 0 HA3 GLY A 4 -11.455 -2.704 -6.456 1.00 2.37 H new ATOM 46 N VAL A 5 -9.455 -1.133 -6.426 1.00 1.27 N ATOM 47 CA VAL A 5 -8.224 -0.402 -6.167 1.00 0.95 C ATOM 48 C VAL A 5 -8.288 0.080 -4.718 1.00 0.84 C ATOM 49 O VAL A 5 -9.391 0.283 -4.211 1.00 1.33 O ATOM 50 CB VAL A 5 -8.085 0.766 -7.167 1.00 1.41 C ATOM 51 CG1 VAL A 5 -9.320 1.680 -7.196 1.00 2.74 C ATOM 52 CG2 VAL A 5 -6.847 1.624 -6.880 1.00 2.85 C ATOM 0 H VAL A 5 -10.206 -0.877 -5.785 1.00 1.27 H new ATOM 0 HA VAL A 5 -7.344 -1.030 -6.302 1.00 0.95 H new ATOM 0 HB VAL A 5 -7.982 0.291 -8.142 1.00 1.41 H new ATOM 0 HG11 VAL A 5 -9.162 2.482 -7.917 1.00 2.74 H new ATOM 0 HG12 VAL A 5 -10.196 1.099 -7.485 1.00 2.74 H new ATOM 0 HG13 VAL A 5 -9.479 2.108 -6.206 1.00 2.74 H new ATOM 0 HG21 VAL A 5 -6.789 2.434 -7.608 1.00 2.85 H new ATOM 0 HG22 VAL A 5 -6.919 2.043 -5.876 1.00 2.85 H new ATOM 0 HG23 VAL A 5 -5.952 1.006 -6.952 1.00 2.85 H new ATOM 62 N LEU A 6 -7.141 0.305 -4.071 1.00 0.69 N ATOM 63 CA LEU A 6 -7.057 1.258 -2.970 1.00 0.78 C ATOM 64 C LEU A 6 -5.869 2.172 -3.233 1.00 0.70 C ATOM 65 O LEU A 6 -4.762 1.693 -3.452 1.00 0.75 O ATOM 66 CB LEU A 6 -6.903 0.558 -1.614 1.00 1.15 C ATOM 67 CG LEU A 6 -8.232 0.032 -1.057 1.00 1.42 C ATOM 68 CD1 LEU A 6 -7.951 -0.907 0.122 1.00 2.63 C ATOM 69 CD2 LEU A 6 -9.158 1.162 -0.588 1.00 2.19 C ATOM 0 H LEU A 6 -6.261 -0.161 -4.293 1.00 0.69 H new ATOM 0 HA LEU A 6 -7.983 1.831 -2.921 1.00 0.78 H new ATOM 0 HB2 LEU A 6 -6.205 -0.272 -1.717 1.00 1.15 H new ATOM 0 HB3 LEU A 6 -6.466 1.255 -0.899 1.00 1.15 H new ATOM 0 HG LEU A 6 -8.738 -0.498 -1.864 1.00 1.42 H new ATOM 0 HD11 LEU A 6 -8.893 -1.283 0.520 1.00 2.63 H new ATOM 0 HD12 LEU A 6 -7.341 -1.744 -0.217 1.00 2.63 H new ATOM 0 HD13 LEU A 6 -7.419 -0.363 0.902 1.00 2.63 H new ATOM 0 HD21 LEU A 6 -10.085 0.737 -0.203 1.00 2.19 H new ATOM 0 HD22 LEU A 6 -8.666 1.733 0.199 1.00 2.19 H new ATOM 0 HD23 LEU A 6 -9.382 1.821 -1.427 1.00 2.19 H new ATOM 81 N GLU A 7 -6.103 3.483 -3.207 1.00 0.78 N ATOM 82 CA GLU A 7 -5.065 4.498 -3.309 1.00 0.93 C ATOM 83 C GLU A 7 -4.872 5.131 -1.929 1.00 1.06 C ATOM 84 O GLU A 7 -5.523 6.121 -1.599 1.00 1.66 O ATOM 85 CB GLU A 7 -5.446 5.541 -4.364 1.00 1.04 C ATOM 86 CG GLU A 7 -5.321 5.031 -5.812 1.00 1.08 C ATOM 87 CD GLU A 7 -4.554 6.019 -6.679 1.00 1.70 C ATOM 88 OE1 GLU A 7 -4.780 7.244 -6.545 1.00 2.29 O ATOM 89 OE2 GLU A 7 -3.621 5.594 -7.399 1.00 3.05 O ATOM 0 H GLU A 7 -7.040 3.874 -3.112 1.00 0.78 H new ATOM 0 HA GLU A 7 -4.124 4.051 -3.628 1.00 0.93 H new ATOM 0 HB2 GLU A 7 -6.472 5.864 -4.189 1.00 1.04 H new ATOM 0 HB3 GLU A 7 -4.811 6.418 -4.241 1.00 1.04 H new ATOM 0 HG2 GLU A 7 -4.813 4.067 -5.818 1.00 1.08 H new ATOM 0 HG3 GLU A 7 -6.314 4.870 -6.231 1.00 1.08 H new ATOM 96 N LEU A 8 -3.977 4.550 -1.128 1.00 0.68 N ATOM 97 CA LEU A 8 -3.656 5.039 0.205 1.00 0.74 C ATOM 98 C LEU A 8 -2.453 5.977 0.098 1.00 0.75 C ATOM 99 O LEU A 8 -1.439 5.642 -0.518 1.00 0.72 O ATOM 100 CB LEU A 8 -3.420 3.895 1.211 1.00 0.77 C ATOM 101 CG LEU A 8 -2.735 2.657 0.612 1.00 0.97 C ATOM 102 CD1 LEU A 8 -1.938 1.909 1.677 1.00 1.10 C ATOM 103 CD2 LEU A 8 -3.765 1.665 0.049 1.00 1.55 C ATOM 0 H LEU A 8 -3.451 3.717 -1.394 1.00 0.68 H new ATOM 0 HA LEU A 8 -4.509 5.590 0.600 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -2.811 4.270 2.034 1.00 0.77 H new ATOM 0 HB3 LEU A 8 -4.379 3.596 1.635 1.00 0.77 H new ATOM 0 HG LEU A 8 -2.082 3.020 -0.182 1.00 0.97 H new ATOM 0 HD11 LEU A 8 -1.462 1.036 1.229 1.00 1.10 H new ATOM 0 HD12 LEU A 8 -1.174 2.568 2.089 1.00 1.10 H new ATOM 0 HD13 LEU A 8 -2.608 1.588 2.474 1.00 1.10 H new ATOM 0 HD21 LEU A 8 -3.248 0.801 -0.367 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -4.431 1.339 0.848 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -4.348 2.151 -0.734 1.00 1.55 H new ATOM 115 N VAL A 9 -2.581 7.163 0.688 1.00 0.81 N ATOM 116 CA VAL A 9 -1.506 8.133 0.808 1.00 0.79 C ATOM 117 C VAL A 9 -0.650 7.670 1.983 1.00 0.71 C ATOM 118 O VAL A 9 -1.098 7.686 3.128 1.00 0.76 O ATOM 119 CB VAL A 9 -2.064 9.554 0.971 1.00 0.94 C ATOM 120 CG1 VAL A 9 -0.924 10.577 1.072 1.00 1.10 C ATOM 121 CG2 VAL A 9 -2.926 9.921 -0.245 1.00 1.35 C ATOM 0 H VAL A 9 -3.457 7.479 1.104 1.00 0.81 H new ATOM 0 HA VAL A 9 -0.892 8.185 -0.091 1.00 0.79 H new ATOM 0 HB VAL A 9 -2.661 9.576 1.883 1.00 0.94 H new ATOM 0 HG11 VAL A 9 -1.342 11.577 1.187 1.00 1.10 H new ATOM 0 HG12 VAL A 9 -0.300 10.343 1.935 1.00 1.10 H new ATOM 0 HG13 VAL A 9 -0.319 10.538 0.166 1.00 1.10 H new ATOM 0 HG21 VAL A 9 -3.318 10.931 -0.122 1.00 1.35 H new ATOM 0 HG22 VAL A 9 -2.318 9.876 -1.149 1.00 1.35 H new ATOM 0 HG23 VAL A 9 -3.755 9.218 -0.329 1.00 1.35 H new ATOM 131 N VAL A 10 0.550 7.188 1.681 1.00 0.65 N ATOM 132 CA VAL A 10 1.444 6.531 2.605 1.00 0.57 C ATOM 133 C VAL A 10 2.394 7.582 3.178 1.00 0.49 C ATOM 134 O VAL A 10 3.442 7.868 2.602 1.00 0.59 O ATOM 135 CB VAL A 10 2.149 5.363 1.891 1.00 0.55 C ATOM 136 CG1 VAL A 10 1.215 4.151 1.816 1.00 0.70 C ATOM 137 CG2 VAL A 10 2.581 5.687 0.457 1.00 0.79 C ATOM 0 H VAL A 10 0.937 7.252 0.739 1.00 0.65 H new ATOM 0 HA VAL A 10 0.912 6.087 3.447 1.00 0.57 H new ATOM 0 HB VAL A 10 3.041 5.160 2.483 1.00 0.55 H new ATOM 0 HG11 VAL A 10 1.723 3.331 1.309 1.00 0.70 H new ATOM 0 HG12 VAL A 10 0.940 3.840 2.824 1.00 0.70 H new ATOM 0 HG13 VAL A 10 0.316 4.418 1.261 1.00 0.70 H new ATOM 0 HG21 VAL A 10 3.070 4.817 0.019 1.00 0.79 H new ATOM 0 HG22 VAL A 10 1.705 5.948 -0.137 1.00 0.79 H new ATOM 0 HG23 VAL A 10 3.276 6.527 0.467 1.00 0.79 H new ATOM 147 N ARG A 11 2.038 8.173 4.319 1.00 0.45 N ATOM 148 CA ARG A 11 2.818 9.284 4.847 1.00 0.47 C ATOM 149 C ARG A 11 4.089 8.725 5.480 1.00 0.52 C ATOM 150 O ARG A 11 4.045 7.686 6.139 1.00 0.73 O ATOM 151 CB ARG A 11 2.049 10.077 5.910 1.00 0.69 C ATOM 152 CG ARG A 11 0.650 10.542 5.481 1.00 1.14 C ATOM 153 CD ARG A 11 -0.075 11.198 6.668 1.00 1.53 C ATOM 154 NE ARG A 11 0.699 12.325 7.219 1.00 2.50 N ATOM 155 CZ ARG A 11 0.655 12.799 8.480 1.00 3.56 C ATOM 156 NH1 ARG A 11 -0.076 12.210 9.428 1.00 3.95 N ATOM 157 NH2 ARG A 11 1.339 13.909 8.781 1.00 4.97 N ATOM 0 H ARG A 11 1.231 7.906 4.883 1.00 0.45 H new ATOM 0 HA ARG A 11 3.044 9.960 4.023 1.00 0.47 H new ATOM 0 HB2 ARG A 11 1.953 9.461 6.804 1.00 0.69 H new ATOM 0 HB3 ARG A 11 2.638 10.951 6.187 1.00 0.69 H new ATOM 0 HG2 ARG A 11 0.731 11.251 4.657 1.00 1.14 H new ATOM 0 HG3 ARG A 11 0.072 9.693 5.116 1.00 1.14 H new ATOM 0 HD2 ARG A 11 -1.055 11.551 6.347 1.00 1.53 H new ATOM 0 HD3 ARG A 11 -0.244 10.455 7.448 1.00 1.53 H new ATOM 0 HE ARG A 11 1.336 12.797 6.577 1.00 2.50 H new ATOM 0 HH11 ARG A 11 -0.622 11.377 9.207 1.00 3.95 H new ATOM 0 HH12 ARG A 11 -0.089 12.593 10.373 1.00 3.95 H new ATOM 0 HH21 ARG A 11 1.883 14.384 8.061 1.00 4.97 H new ATOM 0 HH22 ARG A 11 1.316 14.280 9.731 1.00 4.97 H new ATOM 171 N GLY A 12 5.212 9.417 5.265 1.00 0.50 N ATOM 172 CA GLY A 12 6.509 9.069 5.823 1.00 0.55 C ATOM 173 C GLY A 12 7.486 8.653 4.727 1.00 0.53 C ATOM 174 O GLY A 12 8.647 9.055 4.757 1.00 0.72 O ATOM 0 H GLY A 12 5.238 10.254 4.683 1.00 0.50 H new ATOM 0 HA2 GLY A 12 6.913 9.921 6.370 1.00 0.55 H new ATOM 0 HA3 GLY A 12 6.394 8.256 6.539 1.00 0.55 H new ATOM 178 N MET A 13 7.034 7.858 3.753 1.00 0.53 N ATOM 179 CA MET A 13 7.919 7.352 2.717 1.00 0.66 C ATOM 180 C MET A 13 8.371 8.495 1.806 1.00 0.82 C ATOM 181 O MET A 13 7.533 9.242 1.299 1.00 1.21 O ATOM 182 CB MET A 13 7.250 6.205 1.946 1.00 1.04 C ATOM 183 CG MET A 13 5.928 6.571 1.265 1.00 0.79 C ATOM 184 SD MET A 13 5.770 6.057 -0.464 1.00 1.16 S ATOM 185 CE MET A 13 7.165 6.906 -1.216 1.00 1.69 C ATOM 0 H MET A 13 6.064 7.556 3.666 1.00 0.53 H new ATOM 0 HA MET A 13 8.815 6.936 3.177 1.00 0.66 H new ATOM 0 HB2 MET A 13 7.944 5.843 1.188 1.00 1.04 H new ATOM 0 HB3 MET A 13 7.071 5.379 2.635 1.00 1.04 H new ATOM 0 HG2 MET A 13 5.112 6.126 1.834 1.00 0.79 H new ATOM 0 HG3 MET A 13 5.800 7.652 1.317 1.00 0.79 H new ATOM 0 HE1 MET A 13 7.058 6.891 -2.301 1.00 1.69 H new ATOM 0 HE2 MET A 13 7.193 7.939 -0.868 1.00 1.69 H new ATOM 0 HE3 MET A 13 8.091 6.403 -0.936 1.00 1.69 H new ATOM 195 N THR A 14 9.683 8.662 1.610 1.00 0.74 N ATOM 196 CA THR A 14 10.198 9.829 0.902 1.00 0.97 C ATOM 197 C THR A 14 11.558 9.597 0.230 1.00 0.86 C ATOM 198 O THR A 14 12.211 10.575 -0.133 1.00 1.17 O ATOM 199 CB THR A 14 10.207 11.037 1.862 1.00 1.49 C ATOM 200 OG1 THR A 14 10.523 12.224 1.164 1.00 2.26 O ATOM 201 CG2 THR A 14 11.188 10.857 3.026 1.00 1.75 C ATOM 0 H THR A 14 10.398 8.009 1.930 1.00 0.74 H new ATOM 0 HA THR A 14 9.527 10.038 0.069 1.00 0.97 H new ATOM 0 HB THR A 14 9.203 11.107 2.280 1.00 1.49 H new ATOM 0 HG1 THR A 14 11.244 12.045 0.524 1.00 2.26 H new ATOM 0 HG21 THR A 14 11.154 11.736 3.670 1.00 1.75 H new ATOM 0 HG22 THR A 14 10.911 9.974 3.602 1.00 1.75 H new ATOM 0 HG23 THR A 14 12.198 10.733 2.635 1.00 1.75 H new ATOM 209 N CYS A 15 11.983 8.346 0.017 1.00 0.81 N ATOM 210 CA CYS A 15 13.145 8.053 -0.812 1.00 0.91 C ATOM 211 C CYS A 15 13.068 6.608 -1.292 1.00 0.98 C ATOM 212 O CYS A 15 12.227 5.843 -0.812 1.00 0.82 O ATOM 213 CB CYS A 15 14.457 8.329 -0.060 1.00 1.00 C ATOM 214 SG CYS A 15 14.969 7.057 1.121 1.00 1.39 S ATOM 0 H CYS A 15 11.533 7.520 0.412 1.00 0.81 H new ATOM 0 HA CYS A 15 13.139 8.714 -1.679 1.00 0.91 H new ATOM 0 HB2 CYS A 15 15.253 8.460 -0.793 1.00 1.00 H new ATOM 0 HB3 CYS A 15 14.356 9.274 0.473 1.00 1.00 H new ATOM 219 N ALA A 16 13.954 6.245 -2.224 1.00 1.25 N ATOM 220 CA ALA A 16 14.035 4.922 -2.829 1.00 1.40 C ATOM 221 C ALA A 16 13.940 3.808 -1.784 1.00 1.28 C ATOM 222 O ALA A 16 13.217 2.833 -1.978 1.00 1.22 O ATOM 223 CB ALA A 16 15.335 4.806 -3.629 1.00 1.75 C ATOM 0 H ALA A 16 14.656 6.890 -2.587 1.00 1.25 H new ATOM 0 HA ALA A 16 13.184 4.801 -3.499 1.00 1.40 H new ATOM 0 HB1 ALA A 16 15.396 3.816 -4.082 1.00 1.75 H new ATOM 0 HB2 ALA A 16 15.350 5.565 -4.411 1.00 1.75 H new ATOM 0 HB3 ALA A 16 16.186 4.954 -2.964 1.00 1.75 H new ATOM 229 N SER A 17 14.658 3.957 -0.669 1.00 1.31 N ATOM 230 CA SER A 17 14.616 3.000 0.421 1.00 1.31 C ATOM 231 C SER A 17 13.190 2.792 0.933 1.00 1.12 C ATOM 232 O SER A 17 12.769 1.664 1.180 1.00 1.23 O ATOM 233 CB SER A 17 15.560 3.458 1.534 1.00 1.47 C ATOM 234 OG SER A 17 16.827 3.744 0.972 1.00 1.74 O ATOM 0 H SER A 17 15.282 4.746 -0.503 1.00 1.31 H new ATOM 0 HA SER A 17 14.953 2.031 0.054 1.00 1.31 H new ATOM 0 HB2 SER A 17 15.159 4.343 2.028 1.00 1.47 H new ATOM 0 HB3 SER A 17 15.651 2.682 2.294 1.00 1.47 H new ATOM 0 HG SER A 17 17.439 4.040 1.678 1.00 1.74 H new ATOM 240 N CYS A 18 12.432 3.875 1.101 1.00 0.92 N ATOM 241 CA CYS A 18 11.054 3.774 1.542 1.00 0.80 C ATOM 242 C CYS A 18 10.177 3.174 0.446 1.00 0.76 C ATOM 243 O CYS A 18 9.357 2.293 0.717 1.00 0.82 O ATOM 244 CB CYS A 18 10.543 5.150 1.954 1.00 0.73 C ATOM 245 SG CYS A 18 11.490 5.980 3.256 1.00 0.88 S ATOM 0 H CYS A 18 12.755 4.829 0.937 1.00 0.92 H new ATOM 0 HA CYS A 18 11.008 3.109 2.405 1.00 0.80 H new ATOM 0 HB2 CYS A 18 10.531 5.792 1.073 1.00 0.73 H new ATOM 0 HB3 CYS A 18 9.511 5.049 2.289 1.00 0.73 H new ATOM 250 N VAL A 19 10.356 3.663 -0.786 1.00 0.77 N ATOM 251 CA VAL A 19 9.612 3.193 -1.945 1.00 0.77 C ATOM 252 C VAL A 19 9.714 1.677 -1.992 1.00 0.83 C ATOM 253 O VAL A 19 8.696 0.990 -1.958 1.00 0.73 O ATOM 254 CB VAL A 19 10.148 3.826 -3.242 1.00 0.90 C ATOM 255 CG1 VAL A 19 9.454 3.272 -4.493 1.00 1.00 C ATOM 256 CG2 VAL A 19 9.944 5.341 -3.231 1.00 0.82 C ATOM 0 H VAL A 19 11.027 4.400 -1.001 1.00 0.77 H new ATOM 0 HA VAL A 19 8.567 3.490 -1.858 1.00 0.77 H new ATOM 0 HB VAL A 19 11.209 3.578 -3.281 1.00 0.90 H new ATOM 0 HG11 VAL A 19 9.868 3.750 -5.381 1.00 1.00 H new ATOM 0 HG12 VAL A 19 9.616 2.196 -4.552 1.00 1.00 H new ATOM 0 HG13 VAL A 19 8.385 3.476 -4.436 1.00 1.00 H new ATOM 0 HG21 VAL A 19 10.330 5.767 -4.157 1.00 0.82 H new ATOM 0 HG22 VAL A 19 8.881 5.564 -3.145 1.00 0.82 H new ATOM 0 HG23 VAL A 19 10.476 5.774 -2.383 1.00 0.82 H new ATOM 266 N HIS A 20 10.936 1.150 -2.068 1.00 0.99 N ATOM 267 CA HIS A 20 11.118 -0.263 -2.285 1.00 1.04 C ATOM 268 C HIS A 20 10.727 -1.114 -1.072 1.00 0.99 C ATOM 269 O HIS A 20 10.334 -2.268 -1.247 1.00 0.98 O ATOM 270 CB HIS A 20 12.472 -0.538 -2.946 1.00 1.16 C ATOM 271 CG HIS A 20 13.755 -0.332 -2.179 1.00 1.33 C ATOM 272 ND1 HIS A 20 14.997 -0.238 -2.766 1.00 1.64 N ATOM 273 CD2 HIS A 20 13.952 -0.393 -0.826 1.00 1.30 C ATOM 274 CE1 HIS A 20 15.916 -0.242 -1.787 1.00 1.76 C ATOM 275 NE2 HIS A 20 15.329 -0.344 -0.585 1.00 1.54 N ATOM 0 H HIS A 20 11.800 1.685 -1.982 1.00 0.99 H new ATOM 0 HA HIS A 20 10.395 -0.617 -3.020 1.00 1.04 H new ATOM 0 HB2 HIS A 20 12.461 -1.575 -3.282 1.00 1.16 H new ATOM 0 HB3 HIS A 20 12.527 0.086 -3.838 1.00 1.16 H new ATOM 0 HD2 HIS A 20 13.179 -0.466 -0.075 1.00 1.30 H new ATOM 0 HE1 HIS A 20 16.982 -0.173 -1.946 1.00 1.76 H new ATOM 0 HE2 HIS A 20 15.794 -0.379 0.322 1.00 1.54 H new ATOM 283 N LYS A 21 10.761 -0.552 0.149 1.00 0.99 N ATOM 284 CA LYS A 21 10.198 -1.219 1.319 1.00 1.00 C ATOM 285 C LYS A 21 8.722 -1.501 1.049 1.00 0.77 C ATOM 286 O LYS A 21 8.275 -2.642 1.191 1.00 0.81 O ATOM 287 CB LYS A 21 10.385 -0.388 2.603 1.00 1.14 C ATOM 288 CG LYS A 21 11.788 -0.586 3.188 1.00 1.14 C ATOM 289 CD LYS A 21 12.161 0.416 4.296 1.00 1.91 C ATOM 290 CE LYS A 21 11.336 0.291 5.591 1.00 2.82 C ATOM 291 NZ LYS A 21 10.119 1.131 5.591 1.00 4.06 N ATOM 0 H LYS A 21 11.173 0.361 0.343 1.00 0.99 H new ATOM 0 HA LYS A 21 10.729 -2.156 1.487 1.00 1.00 H new ATOM 0 HB2 LYS A 21 10.225 0.668 2.383 1.00 1.14 H new ATOM 0 HB3 LYS A 21 9.636 -0.678 3.340 1.00 1.14 H new ATOM 0 HG2 LYS A 21 11.862 -1.597 3.589 1.00 1.14 H new ATOM 0 HG3 LYS A 21 12.519 -0.508 2.383 1.00 1.14 H new ATOM 0 HD2 LYS A 21 13.215 0.288 4.541 1.00 1.91 H new ATOM 0 HD3 LYS A 21 12.045 1.427 3.905 1.00 1.91 H new ATOM 0 HE2 LYS A 21 11.050 -0.751 5.732 1.00 2.82 H new ATOM 0 HE3 LYS A 21 11.961 0.568 6.440 1.00 2.82 H new ATOM 0 HZ1 LYS A 21 9.787 1.261 6.568 1.00 4.06 H new ATOM 0 HZ2 LYS A 21 10.337 2.058 5.174 1.00 4.06 H new ATOM 0 HZ3 LYS A 21 9.376 0.666 5.031 1.00 4.06 H new ATOM 305 N ILE A 22 7.975 -0.469 0.640 1.00 0.57 N ATOM 306 CA ILE A 22 6.591 -0.674 0.239 1.00 0.36 C ATOM 307 C ILE A 22 6.540 -1.663 -0.921 1.00 0.39 C ATOM 308 O ILE A 22 5.914 -2.707 -0.788 1.00 0.44 O ATOM 309 CB ILE A 22 5.872 0.649 -0.076 1.00 0.38 C ATOM 310 CG1 ILE A 22 5.603 1.393 1.235 1.00 0.75 C ATOM 311 CG2 ILE A 22 4.518 0.381 -0.755 1.00 0.97 C ATOM 312 CD1 ILE A 22 5.429 2.900 1.060 1.00 0.55 C ATOM 0 H ILE A 22 8.303 0.495 0.581 1.00 0.57 H new ATOM 0 HA ILE A 22 6.043 -1.103 1.078 1.00 0.36 H new ATOM 0 HB ILE A 22 6.504 1.238 -0.741 1.00 0.38 H new ATOM 0 HG12 ILE A 22 4.705 0.984 1.697 1.00 0.75 H new ATOM 0 HG13 ILE A 22 6.428 1.209 1.923 1.00 0.75 H new ATOM 0 HG21 ILE A 22 4.025 1.329 -0.970 1.00 0.97 H new ATOM 0 HG22 ILE A 22 4.679 -0.163 -1.686 1.00 0.97 H new ATOM 0 HG23 ILE A 22 3.889 -0.213 -0.091 1.00 0.97 H new ATOM 0 HD11 ILE A 22 5.242 3.360 2.030 1.00 0.55 H new ATOM 0 HD12 ILE A 22 6.335 3.323 0.627 1.00 0.55 H new ATOM 0 HD13 ILE A 22 4.585 3.094 0.398 1.00 0.55 H new ATOM 324 N GLU A 23 7.175 -1.348 -2.050 1.00 0.58 N ATOM 325 CA GLU A 23 6.978 -2.100 -3.279 1.00 0.77 C ATOM 326 C GLU A 23 7.228 -3.586 -3.053 1.00 0.60 C ATOM 327 O GLU A 23 6.343 -4.413 -3.270 1.00 0.62 O ATOM 328 CB GLU A 23 7.764 -1.476 -4.445 1.00 1.12 C ATOM 329 CG GLU A 23 9.044 -2.190 -4.903 1.00 3.13 C ATOM 330 CD GLU A 23 9.746 -1.380 -5.983 1.00 3.46 C ATOM 331 OE1 GLU A 23 9.143 -1.251 -7.069 1.00 3.39 O ATOM 332 OE2 GLU A 23 10.857 -0.890 -5.692 1.00 4.48 O ATOM 0 H GLU A 23 7.832 -0.573 -2.134 1.00 0.58 H new ATOM 0 HA GLU A 23 5.933 -2.032 -3.583 1.00 0.77 H new ATOM 0 HB2 GLU A 23 7.094 -1.405 -5.302 1.00 1.12 H new ATOM 0 HB3 GLU A 23 8.030 -0.457 -4.163 1.00 1.12 H new ATOM 0 HG2 GLU A 23 9.712 -2.332 -4.054 1.00 3.13 H new ATOM 0 HG3 GLU A 23 8.798 -3.181 -5.285 1.00 3.13 H new ATOM 339 N SER A 24 8.415 -3.908 -2.539 1.00 0.63 N ATOM 340 CA SER A 24 8.820 -5.275 -2.308 1.00 0.64 C ATOM 341 C SER A 24 7.862 -5.918 -1.313 1.00 0.56 C ATOM 342 O SER A 24 7.329 -6.995 -1.569 1.00 0.70 O ATOM 343 CB SER A 24 10.272 -5.305 -1.810 1.00 0.90 C ATOM 344 OG SER A 24 10.736 -6.636 -1.695 1.00 1.92 O ATOM 0 H SER A 24 9.118 -3.218 -2.274 1.00 0.63 H new ATOM 0 HA SER A 24 8.779 -5.847 -3.235 1.00 0.64 H new ATOM 0 HB2 SER A 24 10.909 -4.751 -2.500 1.00 0.90 H new ATOM 0 HB3 SER A 24 10.340 -4.807 -0.843 1.00 0.90 H new ATOM 0 HG SER A 24 11.663 -6.633 -1.378 1.00 1.92 H new ATOM 350 N SER A 25 7.657 -5.286 -0.152 1.00 0.54 N ATOM 351 CA SER A 25 6.949 -5.978 0.915 1.00 0.62 C ATOM 352 C SER A 25 5.454 -6.128 0.618 1.00 0.61 C ATOM 353 O SER A 25 4.855 -7.142 0.975 1.00 0.81 O ATOM 354 CB SER A 25 7.232 -5.367 2.287 1.00 0.82 C ATOM 355 OG SER A 25 6.959 -6.341 3.291 1.00 1.13 O ATOM 0 H SER A 25 7.959 -4.336 0.063 1.00 0.54 H new ATOM 0 HA SER A 25 7.346 -6.992 0.953 1.00 0.62 H new ATOM 0 HB2 SER A 25 8.271 -5.043 2.348 1.00 0.82 H new ATOM 0 HB3 SER A 25 6.613 -4.483 2.441 1.00 0.82 H new ATOM 0 HG SER A 25 7.139 -5.959 4.175 1.00 1.13 H new ATOM 361 N LEU A 26 4.834 -5.136 -0.010 1.00 0.55 N ATOM 362 CA LEU A 26 3.440 -5.239 -0.402 1.00 0.70 C ATOM 363 C LEU A 26 3.330 -6.235 -1.550 1.00 0.87 C ATOM 364 O LEU A 26 2.642 -7.246 -1.406 1.00 0.87 O ATOM 365 CB LEU A 26 2.850 -3.864 -0.739 1.00 0.82 C ATOM 366 CG LEU A 26 2.426 -3.049 0.499 1.00 0.88 C ATOM 367 CD1 LEU A 26 1.119 -3.549 1.123 1.00 1.74 C ATOM 368 CD2 LEU A 26 3.489 -3.002 1.601 1.00 1.58 C ATOM 0 H LEU A 26 5.278 -4.252 -0.257 1.00 0.55 H new ATOM 0 HA LEU A 26 2.844 -5.611 0.431 1.00 0.70 H new ATOM 0 HB2 LEU A 26 3.586 -3.292 -1.305 1.00 0.82 H new ATOM 0 HB3 LEU A 26 1.984 -3.999 -1.387 1.00 0.82 H new ATOM 0 HG LEU A 26 2.285 -2.043 0.104 1.00 0.88 H new ATOM 0 HD11 LEU A 26 0.872 -2.936 1.990 1.00 1.74 H new ATOM 0 HD12 LEU A 26 0.316 -3.480 0.389 1.00 1.74 H new ATOM 0 HD13 LEU A 26 1.238 -4.587 1.434 1.00 1.74 H new ATOM 0 HD21 LEU A 26 3.119 -2.411 2.439 1.00 1.58 H new ATOM 0 HD22 LEU A 26 3.707 -4.015 1.940 1.00 1.58 H new ATOM 0 HD23 LEU A 26 4.399 -2.546 1.210 1.00 1.58 H new ATOM 380 N THR A 27 4.011 -5.974 -2.673 1.00 1.12 N ATOM 381 CA THR A 27 4.012 -6.850 -3.841 1.00 1.37 C ATOM 382 C THR A 27 4.818 -8.137 -3.592 1.00 1.60 C ATOM 383 O THR A 27 5.818 -8.402 -4.254 1.00 2.32 O ATOM 384 CB THR A 27 4.425 -6.055 -5.091 1.00 1.89 C ATOM 385 OG1 THR A 27 3.735 -4.815 -5.095 1.00 3.34 O ATOM 386 CG2 THR A 27 4.058 -6.797 -6.382 1.00 1.38 C ATOM 0 H THR A 27 4.582 -5.137 -2.793 1.00 1.12 H new ATOM 0 HA THR A 27 3.000 -7.209 -4.031 1.00 1.37 H new ATOM 0 HB THR A 27 5.506 -5.917 -5.056 1.00 1.89 H new ATOM 0 HG1 THR A 27 3.993 -4.300 -5.888 1.00 3.34 H new ATOM 0 HG21 THR A 27 4.366 -6.203 -7.243 1.00 1.38 H new ATOM 0 HG22 THR A 27 4.567 -7.761 -6.405 1.00 1.38 H new ATOM 0 HG23 THR A 27 2.980 -6.955 -6.417 1.00 1.38 H new ATOM 394 N LYS A 28 4.319 -8.947 -2.656 1.00 1.44 N ATOM 395 CA LYS A 28 4.731 -10.306 -2.324 1.00 1.69 C ATOM 396 C LYS A 28 3.736 -10.960 -1.360 1.00 1.31 C ATOM 397 O LYS A 28 3.574 -12.178 -1.410 1.00 1.42 O ATOM 398 CB LYS A 28 6.181 -10.400 -1.812 1.00 2.25 C ATOM 399 CG LYS A 28 6.477 -9.654 -0.503 1.00 2.19 C ATOM 400 CD LYS A 28 6.417 -10.536 0.759 1.00 2.34 C ATOM 401 CE LYS A 28 7.009 -9.822 1.991 1.00 2.98 C ATOM 402 NZ LYS A 28 6.091 -8.824 2.579 1.00 3.68 N ATOM 0 H LYS A 28 3.550 -8.639 -2.061 1.00 1.44 H new ATOM 0 HA LYS A 28 4.719 -10.870 -3.257 1.00 1.69 H new ATOM 0 HB2 LYS A 28 6.430 -11.452 -1.673 1.00 2.25 H new ATOM 0 HB3 LYS A 28 6.845 -10.015 -2.586 1.00 2.25 H new ATOM 0 HG2 LYS A 28 7.468 -9.205 -0.571 1.00 2.19 H new ATOM 0 HG3 LYS A 28 5.763 -8.837 -0.395 1.00 2.19 H new ATOM 0 HD2 LYS A 28 5.381 -10.810 0.961 1.00 2.34 H new ATOM 0 HD3 LYS A 28 6.962 -11.463 0.580 1.00 2.34 H new ATOM 0 HE2 LYS A 28 7.261 -10.565 2.748 1.00 2.98 H new ATOM 0 HE3 LYS A 28 7.938 -9.329 1.706 1.00 2.98 H new ATOM 0 HZ1 LYS A 28 6.644 -8.069 3.034 1.00 3.68 H new ATOM 0 HZ2 LYS A 28 5.497 -8.415 1.830 1.00 3.68 H new ATOM 0 HZ3 LYS A 28 5.485 -9.285 3.288 1.00 3.68 H new ATOM 416 N HIS A 29 3.063 -10.202 -0.476 1.00 1.07 N ATOM 417 CA HIS A 29 2.019 -10.811 0.338 1.00 1.13 C ATOM 418 C HIS A 29 0.877 -11.284 -0.567 1.00 0.96 C ATOM 419 O HIS A 29 0.408 -10.538 -1.428 1.00 1.32 O ATOM 420 CB HIS A 29 1.551 -9.894 1.482 1.00 1.41 C ATOM 421 CG HIS A 29 0.584 -8.785 1.137 1.00 0.80 C ATOM 422 ND1 HIS A 29 -0.727 -8.945 0.739 1.00 1.48 N ATOM 423 CD2 HIS A 29 0.753 -7.459 1.434 1.00 0.76 C ATOM 424 CE1 HIS A 29 -1.306 -7.733 0.747 1.00 2.08 C ATOM 425 NE2 HIS A 29 -0.447 -6.795 1.174 1.00 1.65 N ATOM 0 H HIS A 29 3.220 -9.207 -0.316 1.00 1.07 H new ATOM 0 HA HIS A 29 2.432 -11.685 0.841 1.00 1.13 H new ATOM 0 HB2 HIS A 29 1.088 -10.519 2.246 1.00 1.41 H new ATOM 0 HB3 HIS A 29 2.434 -9.442 1.933 1.00 1.41 H new ATOM 0 HD1 HIS A 29 -1.176 -9.825 0.485 1.00 1.48 H new ATOM 0 HD2 HIS A 29 1.660 -7.005 1.806 1.00 0.76 H new ATOM 0 HE1 HIS A 29 -2.326 -7.540 0.450 1.00 2.08 H new ATOM 433 N ARG A 30 0.424 -12.524 -0.365 1.00 0.93 N ATOM 434 CA ARG A 30 -0.737 -13.056 -1.065 1.00 1.06 C ATOM 435 C ARG A 30 -1.904 -12.077 -0.904 1.00 1.38 C ATOM 436 O ARG A 30 -2.019 -11.416 0.127 1.00 2.77 O ATOM 437 CB ARG A 30 -1.076 -14.446 -0.503 1.00 1.38 C ATOM 438 CG ARG A 30 -2.210 -15.137 -1.276 1.00 2.25 C ATOM 439 CD ARG A 30 -2.535 -16.515 -0.681 1.00 2.71 C ATOM 440 NE ARG A 30 -1.412 -17.461 -0.805 1.00 3.46 N ATOM 441 CZ ARG A 30 -1.097 -18.161 -1.909 1.00 4.14 C ATOM 442 NH1 ARG A 30 -1.804 -17.992 -3.031 1.00 4.38 N ATOM 443 NH2 ARG A 30 -0.074 -19.023 -1.885 1.00 5.47 N ATOM 0 H ARG A 30 0.853 -13.181 0.287 1.00 0.93 H new ATOM 0 HA ARG A 30 -0.530 -13.168 -2.129 1.00 1.06 H new ATOM 0 HB2 ARG A 30 -0.185 -15.073 -0.535 1.00 1.38 H new ATOM 0 HB3 ARG A 30 -1.361 -14.350 0.545 1.00 1.38 H new ATOM 0 HG2 ARG A 30 -3.102 -14.510 -1.255 1.00 2.25 H new ATOM 0 HG3 ARG A 30 -1.924 -15.249 -2.322 1.00 2.25 H new ATOM 0 HD2 ARG A 30 -2.795 -16.401 0.371 1.00 2.71 H new ATOM 0 HD3 ARG A 30 -3.410 -16.927 -1.183 1.00 2.71 H new ATOM 0 HE ARG A 30 -0.823 -17.596 0.017 1.00 3.46 H new ATOM 0 HH11 ARG A 30 -2.582 -17.332 -3.049 1.00 4.38 H new ATOM 0 HH12 ARG A 30 -1.566 -18.523 -3.869 1.00 4.38 H new ATOM 0 HH21 ARG A 30 0.467 -19.149 -1.029 1.00 5.47 H new ATOM 0 HH22 ARG A 30 0.165 -19.554 -2.722 1.00 5.47 H new ATOM 457 N GLY A 31 -2.747 -11.954 -1.928 1.00 0.62 N ATOM 458 CA GLY A 31 -3.918 -11.095 -1.877 1.00 0.81 C ATOM 459 C GLY A 31 -3.676 -9.762 -2.572 1.00 0.65 C ATOM 460 O GLY A 31 -4.591 -9.264 -3.223 1.00 0.66 O ATOM 0 H GLY A 31 -2.634 -12.448 -2.813 1.00 0.62 H new ATOM 0 HA2 GLY A 31 -4.761 -11.602 -2.347 1.00 0.81 H new ATOM 0 HA3 GLY A 31 -4.193 -10.918 -0.837 1.00 0.81 H new ATOM 464 N ILE A 32 -2.462 -9.201 -2.473 1.00 0.69 N ATOM 465 CA ILE A 32 -2.079 -8.126 -3.374 1.00 0.56 C ATOM 466 C ILE A 32 -1.706 -8.777 -4.698 1.00 0.67 C ATOM 467 O ILE A 32 -1.007 -9.790 -4.719 1.00 0.94 O ATOM 468 CB ILE A 32 -0.962 -7.233 -2.788 1.00 0.61 C ATOM 469 CG1 ILE A 32 -1.578 -5.861 -2.469 1.00 0.85 C ATOM 470 CG2 ILE A 32 0.238 -7.036 -3.727 1.00 1.01 C ATOM 471 CD1 ILE A 32 -0.600 -4.926 -1.767 1.00 2.00 C ATOM 0 H ILE A 32 -1.751 -9.471 -1.794 1.00 0.69 H new ATOM 0 HA ILE A 32 -2.907 -7.433 -3.525 1.00 0.56 H new ATOM 0 HB ILE A 32 -0.574 -7.735 -1.901 1.00 0.61 H new ATOM 0 HG12 ILE A 32 -1.918 -5.396 -3.394 1.00 0.85 H new ATOM 0 HG13 ILE A 32 -2.457 -5.999 -1.840 1.00 0.85 H new ATOM 0 HG21 ILE A 32 0.978 -6.398 -3.243 1.00 1.01 H new ATOM 0 HG22 ILE A 32 0.686 -8.004 -3.953 1.00 1.01 H new ATOM 0 HG23 ILE A 32 -0.097 -6.566 -4.652 1.00 1.01 H new ATOM 0 HD11 ILE A 32 -1.089 -3.973 -1.566 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -0.279 -5.374 -0.827 1.00 2.00 H new ATOM 0 HD13 ILE A 32 0.268 -4.762 -2.405 1.00 2.00 H new ATOM 483 N LEU A 33 -2.189 -8.195 -5.794 1.00 0.61 N ATOM 484 CA LEU A 33 -1.784 -8.567 -7.136 1.00 0.80 C ATOM 485 C LEU A 33 -0.732 -7.578 -7.644 1.00 0.83 C ATOM 486 O LEU A 33 0.167 -7.983 -8.378 1.00 0.95 O ATOM 487 CB LEU A 33 -3.018 -8.739 -8.034 1.00 0.96 C ATOM 488 CG LEU A 33 -3.733 -7.433 -8.417 1.00 1.57 C ATOM 489 CD1 LEU A 33 -3.349 -6.998 -9.836 1.00 2.63 C ATOM 490 CD2 LEU A 33 -5.252 -7.611 -8.318 1.00 2.29 C ATOM 0 H LEU A 33 -2.879 -7.445 -5.768 1.00 0.61 H new ATOM 0 HA LEU A 33 -1.296 -9.542 -7.147 1.00 0.80 H new ATOM 0 HB2 LEU A 33 -2.715 -9.250 -8.948 1.00 0.96 H new ATOM 0 HB3 LEU A 33 -3.730 -9.389 -7.526 1.00 0.96 H new ATOM 0 HG LEU A 33 -3.419 -6.656 -7.720 1.00 1.57 H new ATOM 0 HD11 LEU A 33 -3.867 -6.072 -10.085 1.00 2.63 H new ATOM 0 HD12 LEU A 33 -2.272 -6.837 -9.888 1.00 2.63 H new ATOM 0 HD13 LEU A 33 -3.635 -7.775 -10.545 1.00 2.63 H new ATOM 0 HD21 LEU A 33 -5.746 -6.679 -8.592 1.00 2.29 H new ATOM 0 HD22 LEU A 33 -5.570 -8.403 -8.996 1.00 2.29 H new ATOM 0 HD23 LEU A 33 -5.521 -7.878 -7.296 1.00 2.29 H new ATOM 502 N TYR A 34 -0.795 -6.297 -7.242 1.00 0.76 N ATOM 503 CA TYR A 34 0.254 -5.338 -7.555 1.00 0.85 C ATOM 504 C TYR A 34 0.208 -4.207 -6.524 1.00 0.74 C ATOM 505 O TYR A 34 -0.821 -4.020 -5.875 1.00 0.91 O ATOM 506 CB TYR A 34 0.054 -4.841 -8.998 1.00 1.00 C ATOM 507 CG TYR A 34 1.021 -3.778 -9.473 1.00 1.08 C ATOM 508 CD1 TYR A 34 2.401 -4.053 -9.536 1.00 2.20 C ATOM 509 CD2 TYR A 34 0.537 -2.532 -9.912 1.00 1.59 C ATOM 510 CE1 TYR A 34 3.298 -3.055 -9.955 1.00 2.33 C ATOM 511 CE2 TYR A 34 1.431 -1.546 -10.356 1.00 1.73 C ATOM 512 CZ TYR A 34 2.814 -1.787 -10.320 1.00 1.49 C ATOM 513 OH TYR A 34 3.673 -0.765 -10.592 1.00 1.79 O ATOM 0 H TYR A 34 -1.567 -5.911 -6.699 1.00 0.76 H new ATOM 0 HA TYR A 34 1.244 -5.791 -7.500 1.00 0.85 H new ATOM 0 HB2 TYR A 34 0.127 -5.697 -9.669 1.00 1.00 H new ATOM 0 HB3 TYR A 34 -0.959 -4.450 -9.089 1.00 1.00 H new ATOM 0 HD1 TYR A 34 2.770 -5.030 -9.262 1.00 2.20 H new ATOM 0 HD2 TYR A 34 -0.525 -2.334 -9.907 1.00 1.59 H new ATOM 0 HE1 TYR A 34 4.357 -3.262 -9.996 1.00 2.33 H new ATOM 0 HE2 TYR A 34 1.056 -0.603 -10.725 1.00 1.73 H new ATOM 0 HH TYR A 34 3.253 0.088 -10.352 1.00 1.79 H new ATOM 523 N CYS A 35 1.289 -3.431 -6.386 1.00 0.62 N ATOM 524 CA CYS A 35 1.190 -2.068 -5.884 1.00 0.48 C ATOM 525 C CYS A 35 2.000 -1.148 -6.788 1.00 0.56 C ATOM 526 O CYS A 35 3.006 -1.579 -7.350 1.00 0.90 O ATOM 527 CB CYS A 35 1.612 -1.903 -4.414 1.00 0.95 C ATOM 528 SG CYS A 35 3.381 -1.585 -4.255 1.00 1.93 S ATOM 0 H CYS A 35 2.237 -3.728 -6.616 1.00 0.62 H new ATOM 0 HA CYS A 35 0.135 -1.796 -5.905 1.00 0.48 H new ATOM 0 HB2 CYS A 35 1.053 -1.081 -3.966 1.00 0.95 H new ATOM 0 HB3 CYS A 35 1.354 -2.805 -3.858 1.00 0.95 H new ATOM 0 HG CYS A 35 4.042 -2.679 -4.492 1.00 1.93 H new ATOM 534 N SER A 36 1.557 0.100 -6.924 1.00 0.51 N ATOM 535 CA SER A 36 2.308 1.179 -7.542 1.00 0.82 C ATOM 536 C SER A 36 2.467 2.270 -6.483 1.00 0.61 C ATOM 537 O SER A 36 1.607 3.144 -6.347 1.00 0.90 O ATOM 538 CB SER A 36 1.592 1.670 -8.815 1.00 1.25 C ATOM 539 OG SER A 36 2.477 1.682 -9.918 1.00 1.87 O ATOM 0 H SER A 36 0.637 0.392 -6.596 1.00 0.51 H new ATOM 0 HA SER A 36 3.295 0.853 -7.870 1.00 0.82 H new ATOM 0 HB2 SER A 36 0.742 1.023 -9.032 1.00 1.25 H new ATOM 0 HB3 SER A 36 1.195 2.672 -8.651 1.00 1.25 H new ATOM 0 HG SER A 36 2.001 1.995 -10.716 1.00 1.87 H new ATOM 545 N VAL A 37 3.535 2.178 -5.688 1.00 0.59 N ATOM 546 CA VAL A 37 3.959 3.213 -4.770 1.00 0.68 C ATOM 547 C VAL A 37 4.841 4.258 -5.458 1.00 0.85 C ATOM 548 O VAL A 37 5.730 3.910 -6.232 1.00 1.07 O ATOM 549 CB VAL A 37 4.591 2.535 -3.552 1.00 0.89 C ATOM 550 CG1 VAL A 37 5.786 1.646 -3.901 1.00 1.94 C ATOM 551 CG2 VAL A 37 4.991 3.572 -2.512 1.00 1.15 C ATOM 0 H VAL A 37 4.138 1.356 -5.672 1.00 0.59 H new ATOM 0 HA VAL A 37 3.107 3.795 -4.418 1.00 0.68 H new ATOM 0 HB VAL A 37 3.826 1.877 -3.139 1.00 0.89 H new ATOM 0 HG11 VAL A 37 6.184 1.198 -2.991 1.00 1.94 H new ATOM 0 HG12 VAL A 37 5.467 0.859 -4.584 1.00 1.94 H new ATOM 0 HG13 VAL A 37 6.560 2.247 -4.378 1.00 1.94 H new ATOM 0 HG21 VAL A 37 5.439 3.072 -1.653 1.00 1.15 H new ATOM 0 HG22 VAL A 37 5.713 4.263 -2.946 1.00 1.15 H new ATOM 0 HG23 VAL A 37 4.108 4.124 -2.191 1.00 1.15 H new ATOM 561 N ALA A 38 4.593 5.544 -5.176 1.00 0.90 N ATOM 562 CA ALA A 38 5.403 6.649 -5.663 1.00 1.07 C ATOM 563 C ALA A 38 5.484 7.751 -4.610 1.00 1.00 C ATOM 564 O ALA A 38 4.489 8.080 -3.963 1.00 0.98 O ATOM 565 CB ALA A 38 4.813 7.214 -6.955 1.00 1.24 C ATOM 0 H ALA A 38 3.810 5.842 -4.594 1.00 0.90 H new ATOM 0 HA ALA A 38 6.407 6.275 -5.866 1.00 1.07 H new ATOM 0 HB1 ALA A 38 5.431 8.040 -7.306 1.00 1.24 H new ATOM 0 HB2 ALA A 38 4.786 6.433 -7.715 1.00 1.24 H new ATOM 0 HB3 ALA A 38 3.801 7.572 -6.767 1.00 1.24 H new ATOM 571 N LEU A 39 6.673 8.347 -4.472 1.00 0.99 N ATOM 572 CA LEU A 39 6.904 9.449 -3.544 1.00 0.87 C ATOM 573 C LEU A 39 6.349 10.763 -4.083 1.00 1.03 C ATOM 574 O LEU A 39 6.026 11.646 -3.296 1.00 1.07 O ATOM 575 CB LEU A 39 8.372 9.523 -3.091 1.00 1.02 C ATOM 576 CG LEU A 39 9.422 9.890 -4.151 1.00 1.07 C ATOM 577 CD1 LEU A 39 9.540 11.407 -4.354 1.00 1.76 C ATOM 578 CD2 LEU A 39 10.781 9.375 -3.661 1.00 1.81 C ATOM 0 H LEU A 39 7.500 8.076 -5.003 1.00 0.99 H new ATOM 0 HA LEU A 39 6.338 9.247 -2.634 1.00 0.87 H new ATOM 0 HB2 LEU A 39 8.439 10.253 -2.284 1.00 1.02 H new ATOM 0 HB3 LEU A 39 8.643 8.555 -2.669 1.00 1.02 H new ATOM 0 HG LEU A 39 9.120 9.443 -5.098 1.00 1.07 H new ATOM 0 HD11 LEU A 39 10.295 11.615 -5.113 1.00 1.76 H new ATOM 0 HD12 LEU A 39 8.579 11.806 -4.679 1.00 1.76 H new ATOM 0 HD13 LEU A 39 9.830 11.878 -3.415 1.00 1.76 H new ATOM 0 HD21 LEU A 39 11.549 9.621 -4.394 1.00 1.81 H new ATOM 0 HD22 LEU A 39 11.026 9.844 -2.708 1.00 1.81 H new ATOM 0 HD23 LEU A 39 10.735 8.294 -3.532 1.00 1.81 H new ATOM 590 N ALA A 40 6.176 10.865 -5.408 1.00 1.22 N ATOM 591 CA ALA A 40 5.659 12.039 -6.106 1.00 1.48 C ATOM 592 C ALA A 40 4.467 12.688 -5.395 1.00 1.38 C ATOM 593 O ALA A 40 4.351 13.909 -5.379 1.00 1.66 O ATOM 594 CB ALA A 40 5.282 11.649 -7.538 1.00 1.72 C ATOM 0 H ALA A 40 6.403 10.100 -6.043 1.00 1.22 H new ATOM 0 HA ALA A 40 6.450 12.789 -6.114 1.00 1.48 H new ATOM 0 HB1 ALA A 40 4.895 12.522 -8.063 1.00 1.72 H new ATOM 0 HB2 ALA A 40 6.164 11.274 -8.057 1.00 1.72 H new ATOM 0 HB3 ALA A 40 4.518 10.872 -7.514 1.00 1.72 H new ATOM 600 N THR A 41 3.580 11.873 -4.816 1.00 1.09 N ATOM 601 CA THR A 41 2.513 12.352 -3.939 1.00 1.10 C ATOM 602 C THR A 41 2.339 11.403 -2.745 1.00 0.95 C ATOM 603 O THR A 41 1.254 11.243 -2.196 1.00 1.04 O ATOM 604 CB THR A 41 1.267 12.600 -4.795 1.00 1.31 C ATOM 605 OG1 THR A 41 0.293 13.357 -4.108 1.00 2.31 O ATOM 606 CG2 THR A 41 0.642 11.318 -5.352 1.00 1.61 C ATOM 0 H THR A 41 3.584 10.861 -4.944 1.00 1.09 H new ATOM 0 HA THR A 41 2.753 13.308 -3.474 1.00 1.10 H new ATOM 0 HB THR A 41 1.623 13.179 -5.647 1.00 1.31 H new ATOM 0 HG1 THR A 41 0.194 13.012 -3.196 1.00 2.31 H new ATOM 0 HG21 THR A 41 -0.235 11.570 -5.948 1.00 1.61 H new ATOM 0 HG22 THR A 41 1.369 10.801 -5.978 1.00 1.61 H new ATOM 0 HG23 THR A 41 0.347 10.669 -4.527 1.00 1.61 H new ATOM 614 N ASN A 42 3.457 10.781 -2.354 1.00 0.90 N ATOM 615 CA ASN A 42 3.609 9.889 -1.204 1.00 0.80 C ATOM 616 C ASN A 42 2.439 8.909 -1.126 1.00 0.74 C ATOM 617 O ASN A 42 1.719 8.865 -0.130 1.00 0.72 O ATOM 618 CB ASN A 42 3.764 10.700 0.095 1.00 0.83 C ATOM 619 CG ASN A 42 4.866 11.751 0.004 1.00 1.06 C ATOM 620 OD1 ASN A 42 4.594 12.906 -0.307 1.00 1.89 O ATOM 621 ND2 ASN A 42 6.117 11.391 0.279 1.00 1.54 N ATOM 0 H ASN A 42 4.332 10.896 -2.865 1.00 0.90 H new ATOM 0 HA ASN A 42 4.519 9.303 -1.333 1.00 0.80 H new ATOM 0 HB2 ASN A 42 2.819 11.190 0.328 1.00 0.83 H new ATOM 0 HB3 ASN A 42 3.982 10.021 0.919 1.00 0.83 H new ATOM 0 HD21 ASN A 42 6.868 12.080 0.233 1.00 1.54 H new ATOM 0 HD22 ASN A 42 6.325 10.426 0.536 1.00 1.54 H new ATOM 628 N LYS A 43 2.218 8.143 -2.198 1.00 0.81 N ATOM 629 CA LYS A 43 0.974 7.412 -2.387 1.00 0.74 C ATOM 630 C LYS A 43 1.241 6.047 -3.002 1.00 0.71 C ATOM 631 O LYS A 43 2.075 5.924 -3.899 1.00 0.82 O ATOM 632 CB LYS A 43 0.024 8.268 -3.230 1.00 0.94 C ATOM 633 CG LYS A 43 -1.355 7.637 -3.477 1.00 1.49 C ATOM 634 CD LYS A 43 -1.479 7.033 -4.881 1.00 1.34 C ATOM 635 CE LYS A 43 -1.430 8.115 -5.975 1.00 1.70 C ATOM 636 NZ LYS A 43 -2.298 7.787 -7.127 1.00 2.01 N ATOM 0 H LYS A 43 2.894 8.016 -2.951 1.00 0.81 H new ATOM 0 HA LYS A 43 0.496 7.221 -1.426 1.00 0.74 H new ATOM 0 HB2 LYS A 43 -0.114 9.229 -2.735 1.00 0.94 H new ATOM 0 HB3 LYS A 43 0.495 8.470 -4.192 1.00 0.94 H new ATOM 0 HG2 LYS A 43 -1.535 6.861 -2.733 1.00 1.49 H new ATOM 0 HG3 LYS A 43 -2.127 8.394 -3.341 1.00 1.49 H new ATOM 0 HD2 LYS A 43 -0.673 6.317 -5.041 1.00 1.34 H new ATOM 0 HD3 LYS A 43 -2.416 6.481 -4.958 1.00 1.34 H new ATOM 0 HE2 LYS A 43 -1.738 9.071 -5.552 1.00 1.70 H new ATOM 0 HE3 LYS A 43 -0.403 8.235 -6.319 1.00 1.70 H new ATOM 0 HZ1 LYS A 43 -1.972 8.307 -7.966 1.00 2.01 H new ATOM 0 HZ2 LYS A 43 -2.254 6.765 -7.315 1.00 2.01 H new ATOM 0 HZ3 LYS A 43 -3.279 8.058 -6.911 1.00 2.01 H new ATOM 650 N ALA A 44 0.514 5.040 -2.508 1.00 0.66 N ATOM 651 CA ALA A 44 0.542 3.672 -2.971 1.00 0.65 C ATOM 652 C ALA A 44 -0.828 3.259 -3.496 1.00 0.63 C ATOM 653 O ALA A 44 -1.810 3.212 -2.755 1.00 0.73 O ATOM 654 CB ALA A 44 1.057 2.761 -1.858 1.00 0.77 C ATOM 0 H ALA A 44 -0.139 5.176 -1.736 1.00 0.66 H new ATOM 0 HA ALA A 44 1.233 3.577 -3.809 1.00 0.65 H new ATOM 0 HB1 ALA A 44 1.076 1.730 -2.211 1.00 0.77 H new ATOM 0 HB2 ALA A 44 2.064 3.067 -1.575 1.00 0.77 H new ATOM 0 HB3 ALA A 44 0.398 2.836 -0.993 1.00 0.77 H new ATOM 660 N HIS A 45 -0.873 2.969 -4.797 1.00 0.65 N ATOM 661 CA HIS A 45 -1.964 2.360 -5.483 1.00 0.77 C ATOM 662 C HIS A 45 -1.832 0.862 -5.248 1.00 0.65 C ATOM 663 O HIS A 45 -1.051 0.210 -5.935 1.00 0.87 O ATOM 664 CB HIS A 45 -1.723 2.721 -6.944 1.00 1.07 C ATOM 665 CG HIS A 45 -2.820 2.287 -7.845 1.00 0.95 C ATOM 666 ND1 HIS A 45 -3.667 3.147 -8.477 1.00 1.78 N ATOM 667 CD2 HIS A 45 -3.161 1.007 -8.178 1.00 1.24 C ATOM 668 CE1 HIS A 45 -4.493 2.397 -9.208 1.00 2.50 C ATOM 669 NE2 HIS A 45 -4.244 1.083 -9.059 1.00 2.05 N ATOM 0 H HIS A 45 -0.091 3.174 -5.419 1.00 0.65 H new ATOM 0 HA HIS A 45 -2.958 2.675 -5.165 1.00 0.77 H new ATOM 0 HB2 HIS A 45 -1.599 3.801 -7.028 1.00 1.07 H new ATOM 0 HB3 HIS A 45 -0.789 2.266 -7.274 1.00 1.07 H new ATOM 0 HD1 HIS A 45 -3.669 4.164 -8.405 1.00 1.78 H new ATOM 0 HD2 HIS A 45 -2.683 0.105 -7.826 1.00 1.24 H new ATOM 0 HE1 HIS A 45 -5.269 2.797 -9.844 1.00 2.50 H new ATOM 677 N ILE A 46 -2.543 0.320 -4.268 1.00 0.55 N ATOM 678 CA ILE A 46 -2.585 -1.106 -4.003 1.00 0.47 C ATOM 679 C ILE A 46 -3.676 -1.717 -4.884 1.00 0.60 C ATOM 680 O ILE A 46 -4.789 -1.189 -4.963 1.00 0.98 O ATOM 681 CB ILE A 46 -2.808 -1.344 -2.499 1.00 0.56 C ATOM 682 CG1 ILE A 46 -1.474 -1.311 -1.729 1.00 0.49 C ATOM 683 CG2 ILE A 46 -3.468 -2.700 -2.237 1.00 0.97 C ATOM 684 CD1 ILE A 46 -0.752 0.033 -1.791 1.00 1.28 C ATOM 0 H ILE A 46 -3.114 0.870 -3.627 1.00 0.55 H new ATOM 0 HA ILE A 46 -1.642 -1.593 -4.252 1.00 0.47 H new ATOM 0 HB ILE A 46 -3.462 -0.543 -2.153 1.00 0.56 H new ATOM 0 HG12 ILE A 46 -1.663 -1.562 -0.685 1.00 0.49 H new ATOM 0 HG13 ILE A 46 -0.817 -2.083 -2.129 1.00 0.49 H new ATOM 0 HG21 ILE A 46 -3.610 -2.834 -1.165 1.00 0.97 H new ATOM 0 HG22 ILE A 46 -4.435 -2.737 -2.739 1.00 0.97 H new ATOM 0 HG23 ILE A 46 -2.829 -3.496 -2.621 1.00 0.97 H new ATOM 0 HD11 ILE A 46 0.177 -0.027 -1.225 1.00 1.28 H new ATOM 0 HD12 ILE A 46 -0.529 0.279 -2.829 1.00 1.28 H new ATOM 0 HD13 ILE A 46 -1.388 0.808 -1.363 1.00 1.28 H new ATOM 696 N LYS A 47 -3.347 -2.829 -5.551 1.00 0.47 N ATOM 697 CA LYS A 47 -4.270 -3.634 -6.321 1.00 0.57 C ATOM 698 C LYS A 47 -4.330 -4.976 -5.607 1.00 0.52 C ATOM 699 O LYS A 47 -3.307 -5.651 -5.483 1.00 0.74 O ATOM 700 CB LYS A 47 -3.740 -3.767 -7.748 1.00 0.74 C ATOM 701 CG LYS A 47 -3.661 -2.389 -8.424 1.00 0.72 C ATOM 702 CD LYS A 47 -4.585 -2.310 -9.642 1.00 0.80 C ATOM 703 CE LYS A 47 -6.032 -2.268 -9.139 1.00 2.20 C ATOM 704 NZ LYS A 47 -7.028 -2.205 -10.221 1.00 2.86 N ATOM 0 H LYS A 47 -2.395 -3.196 -5.563 1.00 0.47 H new ATOM 0 HA LYS A 47 -5.267 -3.199 -6.392 1.00 0.57 H new ATOM 0 HB2 LYS A 47 -2.753 -4.229 -7.734 1.00 0.74 H new ATOM 0 HB3 LYS A 47 -4.391 -4.424 -8.324 1.00 0.74 H new ATOM 0 HG2 LYS A 47 -3.934 -1.614 -7.707 1.00 0.72 H new ATOM 0 HG3 LYS A 47 -2.634 -2.191 -8.731 1.00 0.72 H new ATOM 0 HD2 LYS A 47 -4.361 -1.422 -10.233 1.00 0.80 H new ATOM 0 HD3 LYS A 47 -4.433 -3.172 -10.292 1.00 0.80 H new ATOM 0 HE2 LYS A 47 -6.223 -3.152 -8.531 1.00 2.20 H new ATOM 0 HE3 LYS A 47 -6.158 -1.402 -8.489 1.00 2.20 H new ATOM 0 HZ1 LYS A 47 -7.983 -2.162 -9.812 1.00 2.86 H new ATOM 0 HZ2 LYS A 47 -6.860 -1.356 -10.798 1.00 2.86 H new ATOM 0 HZ3 LYS A 47 -6.945 -3.052 -10.819 1.00 2.86 H new ATOM 718 N TYR A 48 -5.503 -5.317 -5.080 1.00 0.76 N ATOM 719 CA TYR A 48 -5.687 -6.378 -4.111 1.00 0.65 C ATOM 720 C TYR A 48 -7.047 -7.009 -4.344 1.00 0.66 C ATOM 721 O TYR A 48 -7.935 -6.332 -4.860 1.00 0.87 O ATOM 722 CB TYR A 48 -5.586 -5.815 -2.684 1.00 0.81 C ATOM 723 CG TYR A 48 -6.762 -4.949 -2.240 1.00 0.98 C ATOM 724 CD1 TYR A 48 -7.122 -3.793 -2.961 1.00 2.47 C ATOM 725 CD2 TYR A 48 -7.573 -5.367 -1.167 1.00 1.64 C ATOM 726 CE1 TYR A 48 -8.354 -3.164 -2.718 1.00 2.85 C ATOM 727 CE2 TYR A 48 -8.765 -4.685 -0.870 1.00 1.79 C ATOM 728 CZ TYR A 48 -9.180 -3.616 -1.677 1.00 1.89 C ATOM 729 OH TYR A 48 -10.352 -2.976 -1.402 1.00 2.46 O ATOM 0 H TYR A 48 -6.373 -4.845 -5.327 1.00 0.76 H new ATOM 0 HA TYR A 48 -4.909 -7.133 -4.228 1.00 0.65 H new ATOM 0 HB2 TYR A 48 -5.487 -6.648 -1.988 1.00 0.81 H new ATOM 0 HB3 TYR A 48 -4.672 -5.225 -2.607 1.00 0.81 H new ATOM 0 HD1 TYR A 48 -6.449 -3.390 -3.703 1.00 2.47 H new ATOM 0 HD2 TYR A 48 -7.277 -6.216 -0.569 1.00 1.64 H new ATOM 0 HE1 TYR A 48 -8.666 -2.332 -3.332 1.00 2.85 H new ATOM 0 HE2 TYR A 48 -9.361 -4.984 -0.021 1.00 1.79 H new ATOM 0 HH TYR A 48 -10.800 -3.421 -0.652 1.00 2.46 H new ATOM 739 N ASP A 49 -7.192 -8.281 -3.968 1.00 0.56 N ATOM 740 CA ASP A 49 -8.428 -9.027 -4.165 1.00 0.67 C ATOM 741 C ASP A 49 -9.202 -9.170 -2.848 1.00 0.58 C ATOM 742 O ASP A 49 -8.788 -9.958 -1.994 1.00 0.75 O ATOM 743 CB ASP A 49 -8.119 -10.406 -4.754 1.00 0.94 C ATOM 744 CG ASP A 49 -9.399 -11.065 -5.239 1.00 2.44 C ATOM 745 OD1 ASP A 49 -10.484 -10.453 -5.096 1.00 3.87 O ATOM 746 OD2 ASP A 49 -9.321 -12.200 -5.751 1.00 3.10 O ATOM 0 H ASP A 49 -6.452 -8.820 -3.518 1.00 0.56 H new ATOM 0 HA ASP A 49 -9.055 -8.474 -4.864 1.00 0.67 H new ATOM 0 HB2 ASP A 49 -7.416 -10.308 -5.581 1.00 0.94 H new ATOM 0 HB3 ASP A 49 -7.641 -11.033 -4.001 1.00 0.94 H new ATOM 751 N PRO A 50 -10.309 -8.437 -2.637 1.00 0.79 N ATOM 752 CA PRO A 50 -11.032 -8.433 -1.375 1.00 1.00 C ATOM 753 C PRO A 50 -11.893 -9.696 -1.197 1.00 1.00 C ATOM 754 O PRO A 50 -13.106 -9.601 -1.017 1.00 1.39 O ATOM 755 CB PRO A 50 -11.857 -7.140 -1.404 1.00 1.43 C ATOM 756 CG PRO A 50 -12.173 -6.976 -2.889 1.00 1.50 C ATOM 757 CD PRO A 50 -10.891 -7.474 -3.556 1.00 1.23 C ATOM 0 HA PRO A 50 -10.363 -8.455 -0.515 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -12.763 -7.224 -0.804 1.00 1.43 H new ATOM 0 HB3 PRO A 50 -11.294 -6.292 -1.014 1.00 1.43 H new ATOM 0 HG2 PRO A 50 -13.041 -7.565 -3.187 1.00 1.50 H new ATOM 0 HG3 PRO A 50 -12.388 -5.939 -3.146 1.00 1.50 H new ATOM 0 HD2 PRO A 50 -11.107 -7.935 -4.520 1.00 1.23 H new ATOM 0 HD3 PRO A 50 -10.203 -6.649 -3.744 1.00 1.23 H new ATOM 765 N GLU A 51 -11.261 -10.876 -1.191 1.00 1.00 N ATOM 766 CA GLU A 51 -11.838 -12.108 -0.668 1.00 1.13 C ATOM 767 C GLU A 51 -11.026 -12.585 0.540 1.00 0.99 C ATOM 768 O GLU A 51 -11.590 -12.795 1.612 1.00 1.44 O ATOM 769 CB GLU A 51 -11.996 -13.188 -1.754 1.00 1.40 C ATOM 770 CG GLU A 51 -10.810 -13.384 -2.710 1.00 2.17 C ATOM 771 CD GLU A 51 -11.002 -14.639 -3.555 1.00 2.87 C ATOM 772 OE1 GLU A 51 -10.571 -15.710 -3.082 1.00 3.66 O ATOM 773 OE2 GLU A 51 -11.607 -14.509 -4.643 1.00 3.43 O ATOM 0 H GLU A 51 -10.317 -10.997 -1.558 1.00 1.00 H new ATOM 0 HA GLU A 51 -12.853 -11.901 -0.328 1.00 1.13 H new ATOM 0 HB2 GLU A 51 -12.196 -14.139 -1.261 1.00 1.40 H new ATOM 0 HB3 GLU A 51 -12.876 -12.946 -2.349 1.00 1.40 H new ATOM 0 HG2 GLU A 51 -10.712 -12.514 -3.359 1.00 2.17 H new ATOM 0 HG3 GLU A 51 -9.885 -13.462 -2.139 1.00 2.17 H new ATOM 780 N ILE A 52 -9.711 -12.759 0.374 1.00 0.79 N ATOM 781 CA ILE A 52 -8.847 -13.320 1.408 1.00 0.84 C ATOM 782 C ILE A 52 -8.149 -12.235 2.231 1.00 0.81 C ATOM 783 O ILE A 52 -7.954 -12.404 3.432 1.00 1.02 O ATOM 784 CB ILE A 52 -7.858 -14.344 0.820 1.00 1.07 C ATOM 785 CG1 ILE A 52 -6.820 -13.749 -0.149 1.00 1.10 C ATOM 786 CG2 ILE A 52 -8.617 -15.499 0.151 1.00 1.84 C ATOM 787 CD1 ILE A 52 -5.471 -13.562 0.551 1.00 1.67 C ATOM 0 H ILE A 52 -9.218 -12.513 -0.485 1.00 0.79 H new ATOM 0 HA ILE A 52 -9.486 -13.861 2.106 1.00 0.84 H new ATOM 0 HB ILE A 52 -7.284 -14.715 1.669 1.00 1.07 H new ATOM 0 HG12 ILE A 52 -6.700 -14.406 -1.010 1.00 1.10 H new ATOM 0 HG13 ILE A 52 -7.175 -12.790 -0.527 1.00 1.10 H new ATOM 0 HG21 ILE A 52 -7.904 -16.214 -0.259 1.00 1.84 H new ATOM 0 HG22 ILE A 52 -9.246 -15.997 0.889 1.00 1.84 H new ATOM 0 HG23 ILE A 52 -9.241 -15.107 -0.652 1.00 1.84 H new ATOM 0 HD11 ILE A 52 -4.752 -13.141 -0.151 1.00 1.67 H new ATOM 0 HD12 ILE A 52 -5.591 -12.886 1.397 1.00 1.67 H new ATOM 0 HD13 ILE A 52 -5.109 -14.527 0.906 1.00 1.67 H new ATOM 799 N ILE A 53 -7.753 -11.140 1.580 1.00 0.73 N ATOM 800 CA ILE A 53 -7.045 -10.017 2.185 1.00 0.71 C ATOM 801 C ILE A 53 -8.034 -8.860 2.364 1.00 0.70 C ATOM 802 O ILE A 53 -8.953 -8.719 1.556 1.00 0.84 O ATOM 803 CB ILE A 53 -5.846 -9.658 1.281 1.00 0.74 C ATOM 804 CG1 ILE A 53 -4.857 -8.683 1.935 1.00 0.95 C ATOM 805 CG2 ILE A 53 -6.271 -9.132 -0.096 1.00 0.81 C ATOM 806 CD1 ILE A 53 -3.745 -9.454 2.652 1.00 1.05 C ATOM 0 H ILE A 53 -7.924 -11.009 0.583 1.00 0.73 H new ATOM 0 HA ILE A 53 -6.650 -10.260 3.171 1.00 0.71 H new ATOM 0 HB ILE A 53 -5.326 -10.605 1.136 1.00 0.74 H new ATOM 0 HG12 ILE A 53 -4.425 -8.030 1.177 1.00 0.95 H new ATOM 0 HG13 ILE A 53 -5.382 -8.044 2.645 1.00 0.95 H new ATOM 0 HG21 ILE A 53 -5.385 -8.897 -0.685 1.00 0.81 H new ATOM 0 HG22 ILE A 53 -6.858 -9.893 -0.611 1.00 0.81 H new ATOM 0 HG23 ILE A 53 -6.873 -8.232 0.028 1.00 0.81 H new ATOM 0 HD11 ILE A 53 -3.051 -8.749 3.111 1.00 1.05 H new ATOM 0 HD12 ILE A 53 -4.181 -10.088 3.424 1.00 1.05 H new ATOM 0 HD13 ILE A 53 -3.210 -10.074 1.933 1.00 1.05 H new ATOM 818 N GLY A 54 -7.868 -8.032 3.398 1.00 0.67 N ATOM 819 CA GLY A 54 -8.667 -6.840 3.622 1.00 0.69 C ATOM 820 C GLY A 54 -7.788 -5.587 3.624 1.00 0.66 C ATOM 821 O GLY A 54 -6.573 -5.664 3.443 1.00 0.75 O ATOM 0 H GLY A 54 -7.157 -8.181 4.114 1.00 0.67 H new ATOM 0 HA2 GLY A 54 -9.427 -6.755 2.845 1.00 0.69 H new ATOM 0 HA3 GLY A 54 -9.192 -6.923 4.574 1.00 0.69 H new ATOM 825 N PRO A 55 -8.394 -4.408 3.843 1.00 0.67 N ATOM 826 CA PRO A 55 -7.662 -3.160 3.994 1.00 0.68 C ATOM 827 C PRO A 55 -6.721 -3.237 5.199 1.00 0.67 C ATOM 828 O PRO A 55 -5.588 -2.763 5.136 1.00 0.72 O ATOM 829 CB PRO A 55 -8.728 -2.070 4.146 1.00 0.75 C ATOM 830 CG PRO A 55 -9.952 -2.818 4.674 1.00 0.77 C ATOM 831 CD PRO A 55 -9.820 -4.199 4.030 1.00 0.74 C ATOM 0 HA PRO A 55 -7.023 -2.945 3.138 1.00 0.68 H new ATOM 0 HB2 PRO A 55 -8.407 -1.292 4.838 1.00 0.75 H new ATOM 0 HB3 PRO A 55 -8.938 -1.583 3.194 1.00 0.75 H new ATOM 0 HG2 PRO A 55 -9.949 -2.879 5.762 1.00 0.77 H new ATOM 0 HG3 PRO A 55 -10.881 -2.326 4.385 1.00 0.77 H new ATOM 0 HD2 PRO A 55 -10.249 -4.972 4.668 1.00 0.74 H new ATOM 0 HD3 PRO A 55 -10.350 -4.240 3.079 1.00 0.74 H new ATOM 839 N ARG A 56 -7.191 -3.841 6.297 1.00 0.68 N ATOM 840 CA ARG A 56 -6.411 -4.003 7.514 1.00 0.75 C ATOM 841 C ARG A 56 -5.035 -4.602 7.238 1.00 0.76 C ATOM 842 O ARG A 56 -4.047 -4.072 7.731 1.00 0.79 O ATOM 843 CB ARG A 56 -7.156 -4.862 8.541 1.00 0.89 C ATOM 844 CG ARG A 56 -8.123 -4.017 9.376 1.00 1.62 C ATOM 845 CD ARG A 56 -8.550 -4.805 10.620 1.00 2.14 C ATOM 846 NE ARG A 56 -9.360 -3.982 11.529 1.00 3.36 N ATOM 847 CZ ARG A 56 -8.879 -3.108 12.432 1.00 4.55 C ATOM 848 NH1 ARG A 56 -7.567 -2.871 12.539 1.00 5.30 N ATOM 849 NH2 ARG A 56 -9.732 -2.463 13.237 1.00 5.85 N ATOM 0 H ARG A 56 -8.131 -4.231 6.359 1.00 0.68 H new ATOM 0 HA ARG A 56 -6.268 -3.004 7.926 1.00 0.75 H new ATOM 0 HB2 ARG A 56 -7.708 -5.650 8.028 1.00 0.89 H new ATOM 0 HB3 ARG A 56 -6.438 -5.352 9.198 1.00 0.89 H new ATOM 0 HG2 ARG A 56 -7.645 -3.083 9.671 1.00 1.62 H new ATOM 0 HG3 ARG A 56 -8.998 -3.753 8.782 1.00 1.62 H new ATOM 0 HD2 ARG A 56 -9.120 -5.683 10.317 1.00 2.14 H new ATOM 0 HD3 ARG A 56 -7.665 -5.165 11.145 1.00 2.14 H new ATOM 0 HE ARG A 56 -10.373 -4.082 11.470 1.00 3.36 H new ATOM 0 HH11 ARG A 56 -6.910 -3.357 11.929 1.00 5.30 H new ATOM 0 HH12 ARG A 56 -7.224 -2.204 13.231 1.00 5.30 H new ATOM 0 HH21 ARG A 56 -10.734 -2.636 13.162 1.00 5.85 H new ATOM 0 HH22 ARG A 56 -9.380 -1.798 13.926 1.00 5.85 H new ATOM 863 N ASP A 57 -4.956 -5.705 6.495 1.00 0.77 N ATOM 864 CA ASP A 57 -3.701 -6.411 6.277 1.00 0.80 C ATOM 865 C ASP A 57 -2.663 -5.460 5.684 1.00 0.73 C ATOM 866 O ASP A 57 -1.582 -5.264 6.245 1.00 0.70 O ATOM 867 CB ASP A 57 -3.941 -7.597 5.339 1.00 0.89 C ATOM 868 CG ASP A 57 -5.145 -8.436 5.736 1.00 1.36 C ATOM 869 OD1 ASP A 57 -6.266 -7.903 5.564 1.00 2.36 O ATOM 870 OD2 ASP A 57 -4.932 -9.577 6.192 1.00 2.47 O ATOM 0 H ASP A 57 -5.758 -6.130 6.030 1.00 0.77 H new ATOM 0 HA ASP A 57 -3.322 -6.783 7.229 1.00 0.80 H new ATOM 0 HB2 ASP A 57 -4.082 -7.227 4.324 1.00 0.89 H new ATOM 0 HB3 ASP A 57 -3.053 -8.229 5.327 1.00 0.89 H new ATOM 875 N ILE A 58 -3.020 -4.843 4.553 1.00 0.74 N ATOM 876 CA ILE A 58 -2.222 -3.832 3.874 1.00 0.69 C ATOM 877 C ILE A 58 -1.807 -2.768 4.884 1.00 0.64 C ATOM 878 O ILE A 58 -0.627 -2.447 5.028 1.00 0.61 O ATOM 879 CB ILE A 58 -3.061 -3.182 2.759 1.00 0.64 C ATOM 880 CG1 ILE A 58 -3.443 -4.189 1.667 1.00 0.61 C ATOM 881 CG2 ILE A 58 -2.343 -1.980 2.128 1.00 0.71 C ATOM 882 CD1 ILE A 58 -4.758 -3.733 1.037 1.00 1.58 C ATOM 0 H ILE A 58 -3.899 -5.043 4.075 1.00 0.74 H new ATOM 0 HA ILE A 58 -1.335 -4.292 3.437 1.00 0.69 H new ATOM 0 HB ILE A 58 -3.975 -2.828 3.236 1.00 0.64 H new ATOM 0 HG12 ILE A 58 -2.659 -4.246 0.912 1.00 0.61 H new ATOM 0 HG13 ILE A 58 -3.551 -5.187 2.091 1.00 0.61 H new ATOM 0 HG21 ILE A 58 -2.970 -1.551 1.346 1.00 0.71 H new ATOM 0 HG22 ILE A 58 -2.152 -1.228 2.893 1.00 0.71 H new ATOM 0 HG23 ILE A 58 -1.397 -2.307 1.696 1.00 0.71 H new ATOM 0 HD11 ILE A 58 -5.050 -4.435 0.256 1.00 1.58 H new ATOM 0 HD12 ILE A 58 -5.534 -3.697 1.801 1.00 1.58 H new ATOM 0 HD13 ILE A 58 -4.629 -2.741 0.603 1.00 1.58 H new ATOM 894 N ILE A 59 -2.798 -2.196 5.565 1.00 0.67 N ATOM 895 CA ILE A 59 -2.570 -1.077 6.451 1.00 0.71 C ATOM 896 C ILE A 59 -1.559 -1.451 7.531 1.00 0.66 C ATOM 897 O ILE A 59 -0.544 -0.783 7.682 1.00 0.67 O ATOM 898 CB ILE A 59 -3.918 -0.569 6.985 1.00 0.80 C ATOM 899 CG1 ILE A 59 -4.542 0.294 5.879 1.00 0.90 C ATOM 900 CG2 ILE A 59 -3.812 0.170 8.328 1.00 0.83 C ATOM 901 CD1 ILE A 59 -6.020 0.553 6.125 1.00 0.96 C ATOM 0 H ILE A 59 -3.771 -2.498 5.513 1.00 0.67 H new ATOM 0 HA ILE A 59 -2.118 -0.242 5.915 1.00 0.71 H new ATOM 0 HB ILE A 59 -4.561 -1.418 7.216 1.00 0.80 H new ATOM 0 HG12 ILE A 59 -4.012 1.245 5.819 1.00 0.90 H new ATOM 0 HG13 ILE A 59 -4.416 -0.203 4.917 1.00 0.90 H new ATOM 0 HG21 ILE A 59 -4.803 0.499 8.641 1.00 0.83 H new ATOM 0 HG22 ILE A 59 -3.397 -0.501 9.081 1.00 0.83 H new ATOM 0 HG23 ILE A 59 -3.161 1.037 8.216 1.00 0.83 H new ATOM 0 HD11 ILE A 59 -6.421 1.167 5.319 1.00 0.96 H new ATOM 0 HD12 ILE A 59 -6.555 -0.396 6.159 1.00 0.96 H new ATOM 0 HD13 ILE A 59 -6.145 1.074 7.074 1.00 0.96 H new ATOM 913 N HIS A 60 -1.801 -2.545 8.245 1.00 0.65 N ATOM 914 CA HIS A 60 -0.977 -2.966 9.363 1.00 0.65 C ATOM 915 C HIS A 60 0.409 -3.366 8.871 1.00 0.56 C ATOM 916 O HIS A 60 1.410 -3.117 9.546 1.00 0.57 O ATOM 917 CB HIS A 60 -1.696 -4.062 10.158 1.00 0.77 C ATOM 918 CG HIS A 60 -2.999 -3.573 10.750 1.00 1.31 C ATOM 919 ND1 HIS A 60 -3.221 -2.320 11.275 1.00 2.79 N ATOM 920 CD2 HIS A 60 -4.194 -4.243 10.771 1.00 1.36 C ATOM 921 CE1 HIS A 60 -4.524 -2.235 11.585 1.00 3.08 C ATOM 922 NE2 HIS A 60 -5.169 -3.385 11.305 1.00 2.13 N ATOM 0 H HIS A 60 -2.586 -3.169 8.058 1.00 0.65 H new ATOM 0 HA HIS A 60 -0.823 -2.138 10.055 1.00 0.65 H new ATOM 0 HB2 HIS A 60 -1.891 -4.913 9.506 1.00 0.77 H new ATOM 0 HB3 HIS A 60 -1.045 -4.416 10.958 1.00 0.77 H new ATOM 0 HD1 HIS A 60 -2.522 -1.589 11.405 1.00 2.79 H new ATOM 0 HD2 HIS A 60 -4.358 -5.256 10.435 1.00 1.36 H new ATOM 0 HE1 HIS A 60 -4.995 -1.358 12.005 1.00 3.08 H new ATOM 930 N THR A 61 0.487 -3.923 7.661 1.00 0.54 N ATOM 931 CA THR A 61 1.771 -4.137 7.012 1.00 0.58 C ATOM 932 C THR A 61 2.512 -2.800 6.873 1.00 0.58 C ATOM 933 O THR A 61 3.664 -2.682 7.285 1.00 0.67 O ATOM 934 CB THR A 61 1.565 -4.862 5.673 1.00 0.67 C ATOM 935 OG1 THR A 61 0.992 -6.130 5.915 1.00 0.76 O ATOM 936 CG2 THR A 61 2.877 -5.080 4.914 1.00 0.78 C ATOM 0 H THR A 61 -0.320 -4.230 7.118 1.00 0.54 H new ATOM 0 HA THR A 61 2.402 -4.783 7.622 1.00 0.58 H new ATOM 0 HB THR A 61 0.916 -4.231 5.066 1.00 0.67 H new ATOM 0 HG1 THR A 61 0.029 -6.030 6.066 1.00 0.76 H new ATOM 0 HG21 THR A 61 2.673 -5.596 3.976 1.00 0.78 H new ATOM 0 HG22 THR A 61 3.341 -4.116 4.705 1.00 0.78 H new ATOM 0 HG23 THR A 61 3.552 -5.683 5.521 1.00 0.78 H new ATOM 944 N ILE A 62 1.870 -1.773 6.312 1.00 0.52 N ATOM 945 CA ILE A 62 2.519 -0.486 6.077 1.00 0.53 C ATOM 946 C ILE A 62 2.857 0.231 7.396 1.00 0.57 C ATOM 947 O ILE A 62 3.931 0.825 7.521 1.00 0.66 O ATOM 948 CB ILE A 62 1.681 0.349 5.097 1.00 0.50 C ATOM 949 CG1 ILE A 62 1.674 -0.352 3.726 1.00 0.52 C ATOM 950 CG2 ILE A 62 2.282 1.750 4.936 1.00 0.55 C ATOM 951 CD1 ILE A 62 0.627 0.216 2.772 1.00 1.16 C ATOM 0 H ILE A 62 0.896 -1.811 6.011 1.00 0.52 H new ATOM 0 HA ILE A 62 3.486 -0.647 5.600 1.00 0.53 H new ATOM 0 HB ILE A 62 0.667 0.441 5.486 1.00 0.50 H new ATOM 0 HG12 ILE A 62 2.660 -0.259 3.271 1.00 0.52 H new ATOM 0 HG13 ILE A 62 1.488 -1.416 3.869 1.00 0.52 H new ATOM 0 HG21 ILE A 62 1.676 2.328 4.238 1.00 0.55 H new ATOM 0 HG22 ILE A 62 2.299 2.252 5.903 1.00 0.55 H new ATOM 0 HG23 ILE A 62 3.299 1.668 4.551 1.00 0.55 H new ATOM 0 HD11 ILE A 62 0.671 -0.319 1.823 1.00 1.16 H new ATOM 0 HD12 ILE A 62 -0.365 0.099 3.209 1.00 1.16 H new ATOM 0 HD13 ILE A 62 0.826 1.274 2.602 1.00 1.16 H new ATOM 963 N GLU A 63 1.981 0.136 8.399 1.00 0.53 N ATOM 964 CA GLU A 63 2.283 0.568 9.756 1.00 0.55 C ATOM 965 C GLU A 63 3.570 -0.120 10.222 1.00 0.56 C ATOM 966 O GLU A 63 4.504 0.552 10.653 1.00 0.60 O ATOM 967 CB GLU A 63 1.100 0.269 10.687 1.00 0.61 C ATOM 968 CG GLU A 63 -0.127 1.136 10.345 1.00 1.38 C ATOM 969 CD GLU A 63 -1.404 0.694 11.054 1.00 2.13 C ATOM 970 OE1 GLU A 63 -1.385 -0.379 11.697 1.00 2.55 O ATOM 971 OE2 GLU A 63 -2.409 1.421 10.916 1.00 3.44 O ATOM 0 H GLU A 63 1.041 -0.244 8.288 1.00 0.53 H new ATOM 0 HA GLU A 63 2.441 1.646 9.780 1.00 0.55 H new ATOM 0 HB2 GLU A 63 0.834 -0.785 10.610 1.00 0.61 H new ATOM 0 HB3 GLU A 63 1.396 0.448 11.721 1.00 0.61 H new ATOM 0 HG2 GLU A 63 0.085 2.172 10.609 1.00 1.38 H new ATOM 0 HG3 GLU A 63 -0.292 1.109 9.268 1.00 1.38 H new ATOM 978 N SER A 64 3.661 -1.446 10.071 1.00 0.56 N ATOM 979 CA SER A 64 4.874 -2.187 10.404 1.00 0.61 C ATOM 980 C SER A 64 6.088 -1.695 9.600 1.00 0.67 C ATOM 981 O SER A 64 7.186 -1.607 10.142 1.00 0.81 O ATOM 982 CB SER A 64 4.664 -3.694 10.234 1.00 0.64 C ATOM 983 OG SER A 64 3.544 -4.129 10.982 1.00 1.74 O ATOM 0 H SER A 64 2.901 -2.028 9.718 1.00 0.56 H new ATOM 0 HA SER A 64 5.091 -1.996 11.455 1.00 0.61 H new ATOM 0 HB2 SER A 64 4.518 -3.929 9.180 1.00 0.64 H new ATOM 0 HB3 SER A 64 5.556 -4.230 10.559 1.00 0.64 H new ATOM 0 HG SER A 64 2.721 -3.843 10.534 1.00 1.74 H new ATOM 989 N LEU A 65 5.911 -1.359 8.316 1.00 0.65 N ATOM 990 CA LEU A 65 6.975 -0.739 7.525 1.00 0.73 C ATOM 991 C LEU A 65 7.367 0.646 8.052 1.00 0.74 C ATOM 992 O LEU A 65 8.447 1.128 7.698 1.00 0.95 O ATOM 993 CB LEU A 65 6.599 -0.626 6.039 1.00 0.78 C ATOM 994 CG LEU A 65 6.393 -1.959 5.308 1.00 0.80 C ATOM 995 CD1 LEU A 65 6.009 -1.648 3.860 1.00 1.06 C ATOM 996 CD2 LEU A 65 7.653 -2.834 5.322 1.00 0.95 C ATOM 0 H LEU A 65 5.041 -1.507 7.805 1.00 0.65 H new ATOM 0 HA LEU A 65 7.834 -1.403 7.624 1.00 0.73 H new ATOM 0 HB2 LEU A 65 5.683 -0.041 5.957 1.00 0.78 H new ATOM 0 HB3 LEU A 65 7.381 -0.067 5.526 1.00 0.78 H new ATOM 0 HG LEU A 65 5.609 -2.517 5.820 1.00 0.80 H new ATOM 0 HD11 LEU A 65 5.856 -2.580 3.316 1.00 1.06 H new ATOM 0 HD12 LEU A 65 5.089 -1.064 3.845 1.00 1.06 H new ATOM 0 HD13 LEU A 65 6.808 -1.078 3.386 1.00 1.06 H new ATOM 0 HD21 LEU A 65 7.455 -3.766 4.792 1.00 0.95 H new ATOM 0 HD22 LEU A 65 8.469 -2.304 4.832 1.00 0.95 H new ATOM 0 HD23 LEU A 65 7.931 -3.055 6.353 1.00 0.95 H new ATOM 1008 N GLY A 66 6.514 1.284 8.859 1.00 0.63 N ATOM 1009 CA GLY A 66 6.793 2.540 9.531 1.00 0.64 C ATOM 1010 C GLY A 66 6.267 3.742 8.752 1.00 0.65 C ATOM 1011 O GLY A 66 6.877 4.808 8.811 1.00 0.81 O ATOM 0 H GLY A 66 5.583 0.922 9.064 1.00 0.63 H new ATOM 0 HA2 GLY A 66 6.342 2.527 10.523 1.00 0.64 H new ATOM 0 HA3 GLY A 66 7.869 2.643 9.672 1.00 0.64 H new ATOM 1015 N PHE A 67 5.141 3.589 8.044 1.00 0.52 N ATOM 1016 CA PHE A 67 4.502 4.672 7.296 1.00 0.49 C ATOM 1017 C PHE A 67 3.005 4.670 7.606 1.00 0.54 C ATOM 1018 O PHE A 67 2.486 3.641 8.031 1.00 0.62 O ATOM 1019 CB PHE A 67 4.752 4.469 5.794 1.00 0.44 C ATOM 1020 CG PHE A 67 6.202 4.247 5.396 1.00 0.43 C ATOM 1021 CD1 PHE A 67 7.188 5.156 5.816 1.00 1.99 C ATOM 1022 CD2 PHE A 67 6.562 3.159 4.577 1.00 1.74 C ATOM 1023 CE1 PHE A 67 8.531 4.960 5.458 1.00 2.15 C ATOM 1024 CE2 PHE A 67 7.892 3.010 4.148 1.00 1.62 C ATOM 1025 CZ PHE A 67 8.883 3.885 4.627 1.00 0.69 C ATOM 0 H PHE A 67 4.645 2.700 7.975 1.00 0.52 H new ATOM 0 HA PHE A 67 4.921 5.635 7.587 1.00 0.49 H new ATOM 0 HB2 PHE A 67 4.166 3.613 5.458 1.00 0.44 H new ATOM 0 HB3 PHE A 67 4.376 5.342 5.260 1.00 0.44 H new ATOM 0 HD1 PHE A 67 6.911 6.009 6.417 1.00 1.99 H new ATOM 0 HD2 PHE A 67 5.815 2.438 4.278 1.00 1.74 H new ATOM 0 HE1 PHE A 67 9.292 5.635 5.821 1.00 2.15 H new ATOM 0 HE2 PHE A 67 8.152 2.226 3.452 1.00 1.62 H new ATOM 0 HZ PHE A 67 9.917 3.730 4.355 1.00 0.69 H new ATOM 1035 N GLU A 68 2.305 5.792 7.397 1.00 0.59 N ATOM 1036 CA GLU A 68 0.886 5.918 7.694 1.00 0.67 C ATOM 1037 C GLU A 68 0.058 5.704 6.416 1.00 0.65 C ATOM 1038 O GLU A 68 0.030 6.604 5.577 1.00 0.72 O ATOM 1039 CB GLU A 68 0.599 7.324 8.229 1.00 0.83 C ATOM 1040 CG GLU A 68 1.588 7.898 9.253 1.00 1.27 C ATOM 1041 CD GLU A 68 1.226 9.351 9.531 1.00 1.87 C ATOM 1042 OE1 GLU A 68 0.024 9.614 9.755 1.00 2.21 O ATOM 1043 OE2 GLU A 68 2.112 10.221 9.403 1.00 2.90 O ATOM 0 H GLU A 68 2.718 6.642 7.013 1.00 0.59 H new ATOM 0 HA GLU A 68 0.616 5.168 8.437 1.00 0.67 H new ATOM 0 HB2 GLU A 68 0.557 8.007 7.380 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -0.392 7.317 8.683 1.00 0.83 H new ATOM 0 HG2 GLU A 68 1.554 7.318 10.175 1.00 1.27 H new ATOM 0 HG3 GLU A 68 2.607 7.830 8.872 1.00 1.27 H new ATOM 1050 N PRO A 69 -0.626 4.565 6.228 1.00 0.62 N ATOM 1051 CA PRO A 69 -1.423 4.308 5.037 1.00 0.65 C ATOM 1052 C PRO A 69 -2.774 5.024 5.137 1.00 0.82 C ATOM 1053 O PRO A 69 -3.800 4.423 5.453 1.00 1.29 O ATOM 1054 CB PRO A 69 -1.570 2.790 4.990 1.00 0.61 C ATOM 1055 CG PRO A 69 -1.608 2.424 6.468 1.00 0.68 C ATOM 1056 CD PRO A 69 -0.657 3.420 7.121 1.00 0.66 C ATOM 0 HA PRO A 69 -0.962 4.684 4.124 1.00 0.65 H new ATOM 0 HB2 PRO A 69 -2.479 2.485 4.472 1.00 0.61 H new ATOM 0 HB3 PRO A 69 -0.735 2.316 4.475 1.00 0.61 H new ATOM 0 HG2 PRO A 69 -2.616 2.510 6.874 1.00 0.68 H new ATOM 0 HG3 PRO A 69 -1.284 1.396 6.633 1.00 0.68 H new ATOM 0 HD2 PRO A 69 -1.007 3.705 8.113 1.00 0.66 H new ATOM 0 HD3 PRO A 69 0.337 2.991 7.245 1.00 0.66 H new ATOM 1064 N SER A 70 -2.784 6.325 4.855 1.00 0.73 N ATOM 1065 CA SER A 70 -3.965 7.154 5.001 1.00 0.88 C ATOM 1066 C SER A 70 -4.896 6.937 3.807 1.00 0.80 C ATOM 1067 O SER A 70 -4.547 7.247 2.666 1.00 0.77 O ATOM 1068 CB SER A 70 -3.543 8.619 5.128 1.00 1.10 C ATOM 1069 OG SER A 70 -4.645 9.432 5.488 1.00 2.15 O ATOM 0 H SER A 70 -1.965 6.831 4.517 1.00 0.73 H new ATOM 0 HA SER A 70 -4.510 6.878 5.904 1.00 0.88 H new ATOM 0 HB2 SER A 70 -2.757 8.712 5.878 1.00 1.10 H new ATOM 0 HB3 SER A 70 -3.124 8.964 4.183 1.00 1.10 H new ATOM 0 HG SER A 70 -4.352 10.364 5.565 1.00 2.15 H new ATOM 1075 N LEU A 71 -6.097 6.418 4.067 1.00 0.91 N ATOM 1076 CA LEU A 71 -7.130 6.192 3.062 1.00 0.97 C ATOM 1077 C LEU A 71 -7.765 7.525 2.645 1.00 1.10 C ATOM 1078 O LEU A 71 -8.957 7.741 2.845 1.00 1.42 O ATOM 1079 CB LEU A 71 -8.200 5.236 3.618 1.00 1.22 C ATOM 1080 CG LEU A 71 -7.694 3.832 3.986 1.00 1.47 C ATOM 1081 CD1 LEU A 71 -8.786 3.120 4.794 1.00 1.50 C ATOM 1082 CD2 LEU A 71 -7.388 3.008 2.731 1.00 3.18 C ATOM 0 H LEU A 71 -6.382 6.137 5.005 1.00 0.91 H new ATOM 0 HA LEU A 71 -6.676 5.737 2.182 1.00 0.97 H new ATOM 0 HB2 LEU A 71 -8.644 5.689 4.505 1.00 1.22 H new ATOM 0 HB3 LEU A 71 -8.995 5.136 2.879 1.00 1.22 H new ATOM 0 HG LEU A 71 -6.776 3.929 4.566 1.00 1.47 H new ATOM 0 HD11 LEU A 71 -8.445 2.121 5.065 1.00 1.50 H new ATOM 0 HD12 LEU A 71 -8.998 3.689 5.699 1.00 1.50 H new ATOM 0 HD13 LEU A 71 -9.692 3.044 4.193 1.00 1.50 H new ATOM 0 HD21 LEU A 71 -7.032 2.020 3.022 1.00 3.18 H new ATOM 0 HD22 LEU A 71 -8.294 2.906 2.133 1.00 3.18 H new ATOM 0 HD23 LEU A 71 -6.620 3.511 2.143 1.00 3.18 H new ATOM 1094 N VAL A 72 -6.977 8.427 2.054 1.00 1.31 N ATOM 1095 CA VAL A 72 -7.477 9.719 1.600 1.00 1.51 C ATOM 1096 C VAL A 72 -8.529 9.506 0.510 1.00 1.40 C ATOM 1097 O VAL A 72 -9.574 10.155 0.518 1.00 2.02 O ATOM 1098 CB VAL A 72 -6.315 10.613 1.135 1.00 1.95 C ATOM 1099 CG1 VAL A 72 -6.820 11.962 0.605 1.00 2.66 C ATOM 1100 CG2 VAL A 72 -5.351 10.881 2.299 1.00 2.58 C ATOM 0 H VAL A 72 -5.983 8.280 1.880 1.00 1.31 H new ATOM 0 HA VAL A 72 -7.960 10.241 2.426 1.00 1.51 H new ATOM 0 HB VAL A 72 -5.803 10.083 0.332 1.00 1.95 H new ATOM 0 HG11 VAL A 72 -5.972 12.568 0.285 1.00 2.66 H new ATOM 0 HG12 VAL A 72 -7.486 11.794 -0.242 1.00 2.66 H new ATOM 0 HG13 VAL A 72 -7.361 12.483 1.394 1.00 2.66 H new ATOM 0 HG21 VAL A 72 -4.533 11.515 1.956 1.00 2.58 H new ATOM 0 HG22 VAL A 72 -5.885 11.383 3.106 1.00 2.58 H new ATOM 0 HG23 VAL A 72 -4.949 9.936 2.663 1.00 2.58 H new ATOM 1110 N LYS A 73 -8.278 8.581 -0.422 1.00 1.31 N ATOM 1111 CA LYS A 73 -9.272 8.181 -1.409 1.00 1.39 C ATOM 1112 C LYS A 73 -10.307 7.250 -0.766 1.00 2.37 C ATOM 1113 O LYS A 73 -10.431 6.088 -1.146 1.00 3.42 O ATOM 1114 CB LYS A 73 -8.584 7.549 -2.628 1.00 2.44 C ATOM 1115 CG LYS A 73 -7.652 8.523 -3.367 1.00 4.22 C ATOM 1116 CD LYS A 73 -8.417 9.734 -3.920 1.00 5.14 C ATOM 1117 CE LYS A 73 -7.556 10.505 -4.930 1.00 6.91 C ATOM 1118 NZ LYS A 73 -8.289 11.649 -5.509 1.00 7.70 N ATOM 0 H LYS A 73 -7.386 8.095 -0.509 1.00 1.31 H new ATOM 0 HA LYS A 73 -9.809 9.059 -1.767 1.00 1.39 H new ATOM 0 HB2 LYS A 73 -8.010 6.681 -2.304 1.00 2.44 H new ATOM 0 HB3 LYS A 73 -9.345 7.188 -3.320 1.00 2.44 H new ATOM 0 HG2 LYS A 73 -6.871 8.865 -2.688 1.00 4.22 H new ATOM 0 HG3 LYS A 73 -7.156 8.001 -4.186 1.00 4.22 H new ATOM 0 HD2 LYS A 73 -9.338 9.401 -4.399 1.00 5.14 H new ATOM 0 HD3 LYS A 73 -8.704 10.394 -3.101 1.00 5.14 H new ATOM 0 HE2 LYS A 73 -6.651 10.863 -4.439 1.00 6.91 H new ATOM 0 HE3 LYS A 73 -7.241 9.833 -5.728 1.00 6.91 H new ATOM 0 HZ1 LYS A 73 -7.677 12.147 -6.187 1.00 7.70 H new ATOM 0 HZ2 LYS A 73 -9.139 11.304 -5.999 1.00 7.70 H new ATOM 0 HZ3 LYS A 73 -8.568 12.303 -4.750 1.00 7.70 H new ATOM 1132 N ILE A 74 -11.055 7.790 0.195 1.00 3.66 N ATOM 1133 CA ILE A 74 -12.285 7.191 0.696 1.00 5.42 C ATOM 1134 C ILE A 74 -13.395 7.435 -0.339 1.00 5.34 C ATOM 1135 O ILE A 74 -13.221 8.254 -1.244 1.00 4.78 O ATOM 1136 CB ILE A 74 -12.590 7.762 2.099 1.00 7.18 C ATOM 1137 CG1 ILE A 74 -13.701 7.025 2.870 1.00 8.99 C ATOM 1138 CG2 ILE A 74 -12.937 9.259 2.052 1.00 7.59 C ATOM 1139 CD1 ILE A 74 -13.423 5.530 3.062 1.00 9.95 C ATOM 0 H ILE A 74 -10.817 8.670 0.653 1.00 3.66 H new ATOM 0 HA ILE A 74 -12.199 6.112 0.821 1.00 5.42 H new ATOM 0 HB ILE A 74 -11.659 7.606 2.643 1.00 7.18 H new ATOM 0 HG12 ILE A 74 -13.825 7.492 3.847 1.00 8.99 H new ATOM 0 HG13 ILE A 74 -14.644 7.146 2.337 1.00 8.99 H new ATOM 0 HG21 ILE A 74 -13.144 9.616 3.061 1.00 7.59 H new ATOM 0 HG22 ILE A 74 -12.097 9.814 1.635 1.00 7.59 H new ATOM 0 HG23 ILE A 74 -13.817 9.409 1.426 1.00 7.59 H new ATOM 0 HD11 ILE A 74 -14.246 5.075 3.613 1.00 9.95 H new ATOM 0 HD12 ILE A 74 -13.328 5.050 2.088 1.00 9.95 H new ATOM 0 HD13 ILE A 74 -12.497 5.401 3.622 1.00 9.95 H new ATOM 1151 N GLU A 75 -14.506 6.706 -0.222 1.00 6.59 N ATOM 1152 CA GLU A 75 -15.708 6.946 -1.005 1.00 7.23 C ATOM 1153 C GLU A 75 -16.478 8.142 -0.429 1.00 7.77 C ATOM 1154 O GLU A 75 -16.277 8.441 0.771 1.00 8.15 O ATOM 1155 CB GLU A 75 -16.556 5.663 -1.077 1.00 8.30 C ATOM 1156 CG GLU A 75 -16.785 4.955 0.272 1.00 9.35 C ATOM 1157 CD GLU A 75 -17.664 3.718 0.121 1.00 10.62 C ATOM 1158 OE1 GLU A 75 -18.707 3.829 -0.558 1.00 11.16 O ATOM 1159 OE2 GLU A 75 -17.271 2.675 0.687 1.00 11.36 O ATOM 1160 OXT GLU A 75 -17.244 8.752 -1.207 1.00 8.36 O ATOM 0 H GLU A 75 -14.592 5.925 0.428 1.00 6.59 H new ATOM 0 HA GLU A 75 -15.441 7.205 -2.030 1.00 7.23 H new ATOM 0 HB2 GLU A 75 -17.526 5.911 -1.509 1.00 8.30 H new ATOM 0 HB3 GLU A 75 -16.072 4.964 -1.759 1.00 8.30 H new ATOM 0 HG2 GLU A 75 -15.824 4.668 0.699 1.00 9.35 H new ATOM 0 HG3 GLU A 75 -17.251 5.649 0.972 1.00 9.35 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.414 6.645 2.550 1.00 0.97 CU