USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 45 ASN : amide:sc= -0.574 X(o=-1.2,f=-0.81) USER MOD Set 1.2: A 49 GLN : amide:sc= -0.587 K(o=-1.2,f=-0.17) USER MOD Set 2.1: A 25 THR OG1 : rot 131:sc= -2.55! USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.425 K(o=-3,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.19 (180deg=0.669) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -118:sc= -1.03! USER MOD Single : A 12 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -63:sc= 0.038 USER MOD Single : A 34 GLN : amide:sc= -3.22! K(o=-3.2!,f=-0.32) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -120:sc= -0.318! USER MOD Single : A 48 SER OG : rot -39:sc= 0.38 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.946 K(o=-0.95,f=-7.3!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.2) USER MOD Single : A 77 TYR OH : rot -95:sc= 0.386 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.831 -10.450 -13.061 1.00 4.18 N ATOM 2 CA MET A 1 8.831 -10.913 -12.076 1.00 3.62 C ATOM 3 C MET A 1 8.672 -10.146 -10.770 1.00 2.69 C ATOM 4 O MET A 1 8.102 -9.052 -10.756 1.00 2.92 O ATOM 5 CB MET A 1 10.257 -10.739 -12.620 1.00 4.15 C ATOM 6 CG MET A 1 10.714 -9.293 -12.754 1.00 4.68 C ATOM 7 SD MET A 1 9.734 -8.347 -13.937 1.00 5.50 S ATOM 8 CE MET A 1 10.602 -6.779 -13.909 1.00 5.86 C ATOM 0 H1 MET A 1 7.698 -11.180 -13.790 1.00 4.18 H new ATOM 0 H2 MET A 1 6.926 -10.272 -12.580 1.00 4.18 H new ATOM 0 H3 MET A 1 8.164 -9.572 -13.507 1.00 4.18 H new ATOM 0 HA MET A 1 8.663 -11.974 -11.890 1.00 3.62 H new ATOM 0 HB2 MET A 1 10.949 -11.265 -11.962 1.00 4.15 H new ATOM 0 HB3 MET A 1 10.320 -11.218 -13.597 1.00 4.15 H new ATOM 0 HG2 MET A 1 10.661 -8.810 -11.778 1.00 4.68 H new ATOM 0 HG3 MET A 1 11.760 -9.276 -13.062 1.00 4.68 H new ATOM 0 HE1 MET A 1 10.116 -6.082 -14.592 1.00 5.86 H new ATOM 0 HE2 MET A 1 10.582 -6.370 -12.899 1.00 5.86 H new ATOM 0 HE3 MET A 1 11.636 -6.930 -14.219 1.00 5.86 H new ATOM 20 N SER A 2 9.161 -10.741 -9.679 1.00 2.22 N ATOM 21 CA SER A 2 9.093 -10.131 -8.351 1.00 1.70 C ATOM 22 C SER A 2 7.647 -10.005 -7.866 1.00 1.40 C ATOM 23 O SER A 2 6.710 -10.459 -8.528 1.00 1.42 O ATOM 24 CB SER A 2 9.782 -8.765 -8.362 1.00 2.23 C ATOM 25 OG SER A 2 11.159 -8.902 -8.660 1.00 2.73 O ATOM 0 H SER A 2 9.613 -11.655 -9.692 1.00 2.22 H new ATOM 0 HA SER A 2 9.617 -10.783 -7.652 1.00 1.70 H new ATOM 0 HB2 SER A 2 9.308 -8.119 -9.100 1.00 2.23 H new ATOM 0 HB3 SER A 2 9.661 -8.283 -7.392 1.00 2.23 H new ATOM 0 HG SER A 2 11.582 -8.018 -8.664 1.00 2.73 H new ATOM 31 N GLU A 3 7.477 -9.433 -6.684 1.00 1.27 N ATOM 32 CA GLU A 3 6.172 -9.230 -6.112 1.00 1.09 C ATOM 33 C GLU A 3 5.829 -7.746 -6.110 1.00 0.86 C ATOM 34 O GLU A 3 6.722 -6.898 -6.069 1.00 0.86 O ATOM 35 CB GLU A 3 6.141 -9.809 -4.706 1.00 1.30 C ATOM 36 CG GLU A 3 6.420 -11.296 -4.679 1.00 1.87 C ATOM 37 CD GLU A 3 6.296 -11.902 -3.301 1.00 1.96 C ATOM 38 OE1 GLU A 3 7.262 -11.806 -2.517 1.00 2.50 O ATOM 39 OE2 GLU A 3 5.245 -12.508 -3.008 1.00 2.05 O ATOM 0 H GLU A 3 8.245 -9.100 -6.101 1.00 1.27 H new ATOM 0 HA GLU A 3 5.421 -9.744 -6.712 1.00 1.09 H new ATOM 0 HB2 GLU A 3 6.878 -9.294 -4.089 1.00 1.30 H new ATOM 0 HB3 GLU A 3 5.164 -9.619 -4.261 1.00 1.30 H new ATOM 0 HG2 GLU A 3 5.729 -11.801 -5.354 1.00 1.87 H new ATOM 0 HG3 GLU A 3 7.426 -11.477 -5.059 1.00 1.87 H new ATOM 46 N TYR A 4 4.544 -7.435 -6.159 1.00 0.73 N ATOM 47 CA TYR A 4 4.094 -6.069 -6.321 1.00 0.56 C ATOM 48 C TYR A 4 2.960 -5.805 -5.337 1.00 0.48 C ATOM 49 O TYR A 4 2.482 -6.735 -4.694 1.00 0.54 O ATOM 50 CB TYR A 4 3.618 -5.867 -7.763 1.00 0.66 C ATOM 51 CG TYR A 4 2.362 -6.639 -8.076 1.00 0.57 C ATOM 52 CD1 TYR A 4 1.133 -6.116 -7.737 1.00 0.51 C ATOM 53 CD2 TYR A 4 2.402 -7.889 -8.684 1.00 0.78 C ATOM 54 CE1 TYR A 4 -0.026 -6.799 -7.981 1.00 0.60 C ATOM 55 CE2 TYR A 4 1.236 -8.587 -8.943 1.00 1.00 C ATOM 56 CZ TYR A 4 0.023 -8.036 -8.586 1.00 0.90 C ATOM 57 OH TYR A 4 -1.142 -8.724 -8.827 1.00 1.17 O ATOM 0 H TYR A 4 3.791 -8.119 -6.088 1.00 0.73 H new ATOM 0 HA TYR A 4 4.907 -5.371 -6.120 1.00 0.56 H new ATOM 0 HB2 TYR A 4 3.440 -4.806 -7.937 1.00 0.66 H new ATOM 0 HB3 TYR A 4 4.408 -6.174 -8.448 1.00 0.66 H new ATOM 0 HD1 TYR A 4 1.084 -5.144 -7.268 1.00 0.51 H new ATOM 0 HD2 TYR A 4 3.354 -8.320 -8.957 1.00 0.78 H new ATOM 0 HE1 TYR A 4 -0.977 -6.370 -7.700 1.00 0.60 H new ATOM 0 HE2 TYR A 4 1.275 -9.555 -9.421 1.00 1.00 H new ATOM 0 HH TYR A 4 -0.934 -9.578 -9.260 1.00 1.17 H new ATOM 67 N ILE A 5 2.514 -4.560 -5.238 1.00 0.41 N ATOM 68 CA ILE A 5 1.460 -4.210 -4.299 1.00 0.37 C ATOM 69 C ILE A 5 0.293 -3.538 -5.013 1.00 0.31 C ATOM 70 O ILE A 5 0.451 -3.045 -6.130 1.00 0.33 O ATOM 71 CB ILE A 5 1.945 -3.318 -3.140 1.00 0.42 C ATOM 72 CG1 ILE A 5 2.025 -1.832 -3.522 1.00 0.49 C ATOM 73 CG2 ILE A 5 3.289 -3.799 -2.611 1.00 0.51 C ATOM 74 CD1 ILE A 5 3.080 -1.509 -4.550 1.00 1.00 C ATOM 0 H ILE A 5 2.864 -3.780 -5.794 1.00 0.41 H new ATOM 0 HA ILE A 5 1.129 -5.152 -3.862 1.00 0.37 H new ATOM 0 HB ILE A 5 1.197 -3.405 -2.352 1.00 0.42 H new ATOM 0 HG12 ILE A 5 1.054 -1.515 -3.903 1.00 0.49 H new ATOM 0 HG13 ILE A 5 2.221 -1.248 -2.623 1.00 0.49 H new ATOM 0 HG21 ILE A 5 3.610 -3.154 -1.794 1.00 0.51 H new ATOM 0 HG22 ILE A 5 3.192 -4.822 -2.249 1.00 0.51 H new ATOM 0 HG23 ILE A 5 4.028 -3.766 -3.412 1.00 0.51 H new ATOM 0 HD11 ILE A 5 3.067 -0.440 -4.761 1.00 1.00 H new ATOM 0 HD12 ILE A 5 4.060 -1.792 -4.166 1.00 1.00 H new ATOM 0 HD13 ILE A 5 2.876 -2.062 -5.467 1.00 1.00 H new ATOM 86 N ARG A 6 -0.893 -3.541 -4.396 1.00 0.30 N ATOM 87 CA ARG A 6 -2.053 -2.970 -5.032 1.00 0.32 C ATOM 88 C ARG A 6 -2.612 -1.839 -4.168 1.00 0.31 C ATOM 89 O ARG A 6 -2.754 -1.996 -2.968 1.00 0.31 O ATOM 90 CB ARG A 6 -3.086 -4.080 -5.224 1.00 0.39 C ATOM 91 CG ARG A 6 -4.428 -3.610 -5.676 1.00 0.81 C ATOM 92 CD ARG A 6 -5.090 -4.757 -6.367 1.00 0.61 C ATOM 93 NE ARG A 6 -5.831 -4.342 -7.536 1.00 1.13 N ATOM 94 CZ ARG A 6 -7.012 -4.838 -7.897 1.00 1.78 C ATOM 95 NH1 ARG A 6 -7.660 -5.685 -7.106 1.00 2.03 N ATOM 96 NH2 ARG A 6 -7.549 -4.478 -9.055 1.00 2.73 N ATOM 0 H ARG A 6 -1.060 -3.931 -3.468 1.00 0.30 H new ATOM 0 HA ARG A 6 -1.793 -2.548 -6.003 1.00 0.32 H new ATOM 0 HB2 ARG A 6 -2.701 -4.794 -5.953 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -3.202 -4.617 -4.282 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -5.025 -3.277 -4.827 1.00 0.81 H new ATOM 0 HG3 ARG A 6 -4.330 -2.759 -6.351 1.00 0.81 H new ATOM 0 HD2 ARG A 6 -4.335 -5.487 -6.659 1.00 0.61 H new ATOM 0 HD3 ARG A 6 -5.764 -5.257 -5.671 1.00 0.61 H new ATOM 0 HE ARG A 6 -5.420 -3.618 -8.126 1.00 1.13 H new ATOM 0 HH11 ARG A 6 -7.253 -5.961 -6.212 1.00 2.03 H new ATOM 0 HH12 ARG A 6 -8.565 -6.059 -7.392 1.00 2.03 H new ATOM 0 HH21 ARG A 6 -7.057 -3.824 -9.664 1.00 2.73 H new ATOM 0 HH22 ARG A 6 -8.454 -4.855 -9.337 1.00 2.73 H new ATOM 110 N VAL A 7 -2.942 -0.705 -4.767 1.00 0.34 N ATOM 111 CA VAL A 7 -3.413 0.438 -3.987 1.00 0.38 C ATOM 112 C VAL A 7 -4.584 1.130 -4.662 1.00 0.38 C ATOM 113 O VAL A 7 -4.733 1.052 -5.867 1.00 0.41 O ATOM 114 CB VAL A 7 -2.269 1.452 -3.733 1.00 0.45 C ATOM 115 CG1 VAL A 7 -1.520 1.762 -5.017 1.00 1.21 C ATOM 116 CG2 VAL A 7 -2.778 2.734 -3.085 1.00 1.45 C ATOM 0 H VAL A 7 -2.895 -0.548 -5.774 1.00 0.34 H new ATOM 0 HA VAL A 7 -3.754 0.051 -3.027 1.00 0.38 H new ATOM 0 HB VAL A 7 -1.576 0.984 -3.034 1.00 0.45 H new ATOM 0 HG11 VAL A 7 -0.723 2.476 -4.810 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -1.090 0.844 -5.418 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -2.209 2.189 -5.746 1.00 1.21 H new ATOM 0 HG21 VAL A 7 -1.944 3.417 -2.925 1.00 1.45 H new ATOM 0 HG22 VAL A 7 -3.512 3.205 -3.738 1.00 1.45 H new ATOM 0 HG23 VAL A 7 -3.243 2.498 -2.128 1.00 1.45 H new ATOM 126 N THR A 8 -5.471 1.695 -3.867 1.00 0.39 N ATOM 127 CA THR A 8 -6.484 2.605 -4.366 1.00 0.40 C ATOM 128 C THR A 8 -6.910 3.601 -3.278 1.00 0.42 C ATOM 129 O THR A 8 -6.512 3.470 -2.123 1.00 0.56 O ATOM 130 CB THR A 8 -7.672 1.836 -4.958 1.00 0.43 C ATOM 131 OG1 THR A 8 -8.790 2.694 -5.192 1.00 0.49 O ATOM 132 CG2 THR A 8 -8.082 0.687 -4.070 1.00 0.47 C ATOM 0 H THR A 8 -5.510 1.537 -2.860 1.00 0.39 H new ATOM 0 HA THR A 8 -6.053 3.190 -5.179 1.00 0.40 H new ATOM 0 HB THR A 8 -7.341 1.434 -5.916 1.00 0.43 H new ATOM 0 HG1 THR A 8 -9.551 2.395 -4.651 1.00 0.49 H new ATOM 0 HG21 THR A 8 -8.926 0.163 -4.519 1.00 0.47 H new ATOM 0 HG22 THR A 8 -7.245 -0.003 -3.958 1.00 0.47 H new ATOM 0 HG23 THR A 8 -8.371 1.069 -3.091 1.00 0.47 H new ATOM 140 N GLU A 9 -7.697 4.602 -3.646 1.00 0.35 N ATOM 141 CA GLU A 9 -8.180 5.594 -2.688 1.00 0.30 C ATOM 142 C GLU A 9 -9.409 5.068 -1.970 1.00 0.29 C ATOM 143 O GLU A 9 -9.633 5.332 -0.787 1.00 0.41 O ATOM 144 CB GLU A 9 -8.463 6.896 -3.430 1.00 0.31 C ATOM 145 CG GLU A 9 -8.877 8.078 -2.570 1.00 1.13 C ATOM 146 CD GLU A 9 -10.362 8.161 -2.292 1.00 2.20 C ATOM 147 OE1 GLU A 9 -10.751 8.634 -1.211 1.00 2.55 O ATOM 148 OE2 GLU A 9 -11.150 7.715 -3.152 1.00 2.97 O ATOM 0 H GLU A 9 -8.017 4.751 -4.603 1.00 0.35 H new ATOM 0 HA GLU A 9 -7.424 5.789 -1.927 1.00 0.30 H new ATOM 0 HB2 GLU A 9 -7.569 7.174 -3.988 1.00 0.31 H new ATOM 0 HB3 GLU A 9 -9.250 6.711 -4.161 1.00 0.31 H new ATOM 0 HG2 GLU A 9 -8.345 8.024 -1.620 1.00 1.13 H new ATOM 0 HG3 GLU A 9 -8.560 8.998 -3.062 1.00 1.13 H new ATOM 155 N ASP A 10 -10.175 4.289 -2.695 1.00 0.32 N ATOM 156 CA ASP A 10 -11.346 3.639 -2.172 1.00 0.36 C ATOM 157 C ASP A 10 -11.279 2.199 -2.594 1.00 0.33 C ATOM 158 O ASP A 10 -10.738 1.884 -3.651 1.00 0.33 O ATOM 159 CB ASP A 10 -12.627 4.271 -2.707 1.00 0.48 C ATOM 160 CG ASP A 10 -13.871 3.643 -2.112 1.00 0.84 C ATOM 161 OD1 ASP A 10 -14.332 4.112 -1.054 1.00 1.14 O ATOM 162 OD2 ASP A 10 -14.383 2.663 -2.693 1.00 1.11 O ATOM 0 H ASP A 10 -9.997 4.088 -3.679 1.00 0.32 H new ATOM 0 HA ASP A 10 -11.367 3.740 -1.087 1.00 0.36 H new ATOM 0 HB2 ASP A 10 -12.622 5.339 -2.488 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -12.654 4.168 -3.792 1.00 0.48 H new ATOM 167 N GLU A 11 -11.846 1.345 -1.779 1.00 0.38 N ATOM 168 CA GLU A 11 -11.791 -0.100 -1.981 1.00 0.40 C ATOM 169 C GLU A 11 -12.326 -0.439 -3.353 1.00 0.47 C ATOM 170 O GLU A 11 -11.988 -1.470 -3.936 1.00 0.60 O ATOM 171 CB GLU A 11 -12.634 -0.805 -0.924 1.00 0.50 C ATOM 172 CG GLU A 11 -12.204 -0.492 0.488 1.00 0.69 C ATOM 173 CD GLU A 11 -11.348 -1.587 1.090 1.00 1.05 C ATOM 174 OE1 GLU A 11 -11.345 -1.730 2.333 1.00 1.48 O ATOM 175 OE2 GLU A 11 -10.656 -2.292 0.326 1.00 1.37 O ATOM 0 H GLU A 11 -12.365 1.625 -0.947 1.00 0.38 H new ATOM 0 HA GLU A 11 -10.756 -0.432 -1.897 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -13.678 -0.518 -1.051 1.00 0.50 H new ATOM 0 HB3 GLU A 11 -12.578 -1.882 -1.083 1.00 0.50 H new ATOM 0 HG2 GLU A 11 -11.648 0.445 0.496 1.00 0.69 H new ATOM 0 HG3 GLU A 11 -13.087 -0.343 1.109 1.00 0.69 H new ATOM 182 N ASN A 12 -13.173 0.443 -3.851 1.00 0.49 N ATOM 183 CA ASN A 12 -13.679 0.321 -5.199 1.00 0.60 C ATOM 184 C ASN A 12 -13.547 1.633 -5.980 1.00 0.48 C ATOM 185 O ASN A 12 -14.439 1.997 -6.750 1.00 0.52 O ATOM 186 CB ASN A 12 -15.119 -0.152 -5.196 1.00 0.81 C ATOM 187 CG ASN A 12 -15.566 -0.655 -6.541 1.00 1.46 C ATOM 188 OD1 ASN A 12 -14.760 -1.126 -7.348 1.00 2.00 O ATOM 189 ND2 ASN A 12 -16.855 -0.588 -6.784 1.00 2.02 N ATOM 0 H ASN A 12 -13.524 1.252 -3.338 1.00 0.49 H new ATOM 0 HA ASN A 12 -13.068 -0.427 -5.705 1.00 0.60 H new ATOM 0 HB2 ASN A 12 -15.235 -0.946 -4.458 1.00 0.81 H new ATOM 0 HB3 ASN A 12 -15.766 0.668 -4.886 1.00 0.81 H new ATOM 0 HD21 ASN A 12 -17.226 -0.934 -7.669 1.00 2.02 H new ATOM 0 HD22 ASN A 12 -17.485 -0.190 -6.088 1.00 2.02 H new ATOM 196 N ASP A 13 -12.447 2.364 -5.777 1.00 0.40 N ATOM 197 CA ASP A 13 -12.110 3.438 -6.708 1.00 0.37 C ATOM 198 C ASP A 13 -11.527 2.779 -7.939 1.00 0.47 C ATOM 199 O ASP A 13 -12.216 2.084 -8.684 1.00 0.59 O ATOM 200 CB ASP A 13 -11.067 4.436 -6.160 1.00 0.34 C ATOM 201 CG ASP A 13 -11.083 5.744 -6.924 1.00 0.39 C ATOM 202 OD1 ASP A 13 -11.914 6.616 -6.600 1.00 0.44 O ATOM 203 OD2 ASP A 13 -10.266 5.905 -7.850 1.00 0.52 O ATOM 0 H ASP A 13 -11.795 2.237 -5.003 1.00 0.40 H new ATOM 0 HA ASP A 13 -13.017 4.011 -6.903 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -11.267 4.628 -5.106 1.00 0.34 H new ATOM 0 HB3 ASP A 13 -10.073 3.992 -6.220 1.00 0.34 H new ATOM 208 N GLU A 14 -10.249 2.997 -8.132 1.00 0.47 N ATOM 209 CA GLU A 14 -9.469 2.199 -9.055 1.00 0.56 C ATOM 210 C GLU A 14 -8.289 1.575 -8.331 1.00 0.50 C ATOM 211 O GLU A 14 -7.220 2.175 -8.267 1.00 0.50 O ATOM 212 CB GLU A 14 -8.984 3.038 -10.228 1.00 0.68 C ATOM 213 CG GLU A 14 -9.951 3.080 -11.399 1.00 1.12 C ATOM 214 CD GLU A 14 -10.199 1.710 -11.995 1.00 1.38 C ATOM 215 OE1 GLU A 14 -11.378 1.296 -12.080 1.00 2.18 O ATOM 216 OE2 GLU A 14 -9.221 1.030 -12.366 1.00 1.73 O ATOM 0 H GLU A 14 -9.719 3.728 -7.658 1.00 0.47 H new ATOM 0 HA GLU A 14 -10.107 1.407 -9.448 1.00 0.56 H new ATOM 0 HB2 GLU A 14 -8.803 4.056 -9.883 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -8.028 2.643 -10.573 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -10.898 3.506 -11.069 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -9.555 3.742 -12.169 1.00 1.12 H new ATOM 223 N PRO A 15 -8.446 0.373 -7.758 1.00 0.50 N ATOM 224 CA PRO A 15 -7.319 -0.338 -7.177 1.00 0.45 C ATOM 225 C PRO A 15 -6.377 -0.800 -8.270 1.00 0.43 C ATOM 226 O PRO A 15 -6.802 -1.360 -9.285 1.00 0.52 O ATOM 227 CB PRO A 15 -7.954 -1.515 -6.460 1.00 0.50 C ATOM 228 CG PRO A 15 -9.206 -1.728 -7.179 1.00 0.57 C ATOM 229 CD PRO A 15 -9.696 -0.372 -7.604 1.00 0.58 C ATOM 0 HA PRO A 15 -6.724 0.277 -6.502 1.00 0.45 H new ATOM 0 HB2 PRO A 15 -7.316 -2.398 -6.498 1.00 0.50 H new ATOM 0 HB3 PRO A 15 -8.130 -1.294 -5.407 1.00 0.50 H new ATOM 0 HG2 PRO A 15 -9.051 -2.372 -8.044 1.00 0.57 H new ATOM 0 HG3 PRO A 15 -9.939 -2.222 -6.542 1.00 0.57 H new ATOM 0 HD2 PRO A 15 -10.261 -0.416 -8.535 1.00 0.58 H new ATOM 0 HD3 PRO A 15 -10.349 0.078 -6.856 1.00 0.58 H new ATOM 237 N ILE A 16 -5.110 -0.562 -8.061 1.00 0.36 N ATOM 238 CA ILE A 16 -4.125 -0.734 -9.095 1.00 0.36 C ATOM 239 C ILE A 16 -2.991 -1.615 -8.626 1.00 0.31 C ATOM 240 O ILE A 16 -2.425 -1.402 -7.554 1.00 0.37 O ATOM 241 CB ILE A 16 -3.576 0.629 -9.554 1.00 0.42 C ATOM 242 CG1 ILE A 16 -3.179 1.474 -8.334 1.00 0.41 C ATOM 243 CG2 ILE A 16 -4.604 1.341 -10.411 1.00 0.51 C ATOM 244 CD1 ILE A 16 -4.050 2.698 -8.100 1.00 0.45 C ATOM 0 H ILE A 16 -4.731 -0.243 -7.169 1.00 0.36 H new ATOM 0 HA ILE A 16 -4.613 -1.221 -9.939 1.00 0.36 H new ATOM 0 HB ILE A 16 -2.683 0.475 -10.160 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -3.215 0.844 -7.445 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -2.145 1.798 -8.454 1.00 0.41 H new ATOM 0 HG21 ILE A 16 -4.207 2.304 -10.731 1.00 0.51 H new ATOM 0 HG22 ILE A 16 -4.831 0.733 -11.287 1.00 0.51 H new ATOM 0 HG23 ILE A 16 -5.514 1.498 -9.832 1.00 0.51 H new ATOM 0 HD11 ILE A 16 -3.696 3.233 -7.219 1.00 0.45 H new ATOM 0 HD12 ILE A 16 -3.997 3.354 -8.969 1.00 0.45 H new ATOM 0 HD13 ILE A 16 -5.083 2.385 -7.944 1.00 0.45 H new ATOM 256 N GLU A 17 -2.693 -2.624 -9.409 1.00 0.34 N ATOM 257 CA GLU A 17 -1.547 -3.456 -9.157 1.00 0.34 C ATOM 258 C GLU A 17 -0.309 -2.812 -9.752 1.00 0.36 C ATOM 259 O GLU A 17 -0.241 -2.559 -10.955 1.00 0.45 O ATOM 260 CB GLU A 17 -1.735 -4.840 -9.755 1.00 0.43 C ATOM 261 CG GLU A 17 -3.085 -5.482 -9.452 1.00 0.53 C ATOM 262 CD GLU A 17 -4.182 -5.040 -10.408 1.00 0.98 C ATOM 263 OE1 GLU A 17 -4.811 -4.000 -10.143 1.00 1.62 O ATOM 264 OE2 GLU A 17 -4.415 -5.730 -11.430 1.00 1.35 O ATOM 0 H GLU A 17 -3.235 -2.888 -10.232 1.00 0.34 H new ATOM 0 HA GLU A 17 -1.430 -3.559 -8.078 1.00 0.34 H new ATOM 0 HB2 GLU A 17 -1.613 -4.774 -10.836 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -0.945 -5.493 -9.384 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -2.984 -6.566 -9.500 1.00 0.53 H new ATOM 0 HG3 GLU A 17 -3.378 -5.234 -8.432 1.00 0.53 H new ATOM 271 N ILE A 18 0.664 -2.561 -8.901 1.00 0.32 N ATOM 272 CA ILE A 18 1.849 -1.802 -9.293 1.00 0.39 C ATOM 273 C ILE A 18 3.116 -2.381 -8.671 1.00 0.36 C ATOM 274 O ILE A 18 3.102 -2.863 -7.537 1.00 0.35 O ATOM 275 CB ILE A 18 1.736 -0.305 -8.914 1.00 0.47 C ATOM 276 CG1 ILE A 18 1.417 -0.141 -7.427 1.00 1.18 C ATOM 277 CG2 ILE A 18 0.681 0.387 -9.771 1.00 1.37 C ATOM 278 CD1 ILE A 18 1.458 1.295 -6.957 1.00 1.52 C ATOM 0 H ILE A 18 0.664 -2.870 -7.929 1.00 0.32 H new ATOM 0 HA ILE A 18 1.912 -1.882 -10.378 1.00 0.39 H new ATOM 0 HB ILE A 18 2.699 0.168 -9.107 1.00 0.47 H new ATOM 0 HG12 ILE A 18 0.427 -0.552 -7.228 1.00 1.18 H new ATOM 0 HG13 ILE A 18 2.128 -0.726 -6.844 1.00 1.18 H new ATOM 0 HG21 ILE A 18 0.616 1.438 -9.490 1.00 1.37 H new ATOM 0 HG22 ILE A 18 0.958 0.309 -10.822 1.00 1.37 H new ATOM 0 HG23 ILE A 18 -0.286 -0.091 -9.614 1.00 1.37 H new ATOM 0 HD11 ILE A 18 1.222 1.337 -5.894 1.00 1.52 H new ATOM 0 HD12 ILE A 18 2.454 1.704 -7.124 1.00 1.52 H new ATOM 0 HD13 ILE A 18 0.727 1.881 -7.514 1.00 1.52 H new ATOM 290 N PRO A 19 4.227 -2.351 -9.421 1.00 0.39 N ATOM 291 CA PRO A 19 5.522 -2.843 -8.957 1.00 0.39 C ATOM 292 C PRO A 19 6.200 -1.875 -7.988 1.00 0.36 C ATOM 293 O PRO A 19 6.286 -0.673 -8.247 1.00 0.44 O ATOM 294 CB PRO A 19 6.353 -2.976 -10.247 1.00 0.48 C ATOM 295 CG PRO A 19 5.410 -2.689 -11.374 1.00 0.67 C ATOM 296 CD PRO A 19 4.312 -1.850 -10.794 1.00 0.47 C ATOM 0 HA PRO A 19 5.420 -3.778 -8.406 1.00 0.39 H new ATOM 0 HB2 PRO A 19 7.188 -2.275 -10.248 1.00 0.48 H new ATOM 0 HB3 PRO A 19 6.777 -3.976 -10.337 1.00 0.48 H new ATOM 0 HG2 PRO A 19 5.917 -2.162 -12.182 1.00 0.67 H new ATOM 0 HG3 PRO A 19 5.013 -3.613 -11.795 1.00 0.67 H new ATOM 0 HD2 PRO A 19 4.553 -0.787 -10.825 1.00 0.47 H new ATOM 0 HD3 PRO A 19 3.373 -1.980 -11.333 1.00 0.47 H new ATOM 304 N SER A 20 6.665 -2.410 -6.873 1.00 0.39 N ATOM 305 CA SER A 20 7.392 -1.639 -5.879 1.00 0.39 C ATOM 306 C SER A 20 8.885 -1.942 -5.980 1.00 0.38 C ATOM 307 O SER A 20 9.284 -2.830 -6.735 1.00 0.40 O ATOM 308 CB SER A 20 6.861 -1.975 -4.485 1.00 0.44 C ATOM 309 OG SER A 20 6.701 -3.377 -4.332 1.00 0.97 O ATOM 0 H SER A 20 6.549 -3.394 -6.630 1.00 0.39 H new ATOM 0 HA SER A 20 7.246 -0.574 -6.060 1.00 0.39 H new ATOM 0 HB2 SER A 20 7.549 -1.598 -3.728 1.00 0.44 H new ATOM 0 HB3 SER A 20 5.906 -1.476 -4.325 1.00 0.44 H new ATOM 0 HG SER A 20 6.362 -3.571 -3.433 1.00 0.97 H new ATOM 315 N GLU A 21 9.716 -1.189 -5.260 1.00 0.41 N ATOM 316 CA GLU A 21 11.142 -1.481 -5.231 1.00 0.48 C ATOM 317 C GLU A 21 11.367 -2.815 -4.571 1.00 0.49 C ATOM 318 O GLU A 21 10.686 -3.167 -3.609 1.00 0.45 O ATOM 319 CB GLU A 21 11.933 -0.384 -4.532 1.00 0.53 C ATOM 320 CG GLU A 21 11.637 1.003 -5.085 1.00 1.47 C ATOM 321 CD GLU A 21 12.778 1.979 -4.885 1.00 1.91 C ATOM 322 OE1 GLU A 21 12.880 2.568 -3.791 1.00 2.77 O ATOM 323 OE2 GLU A 21 13.572 2.173 -5.833 1.00 2.00 O ATOM 0 H GLU A 21 9.430 -0.386 -4.699 1.00 0.41 H new ATOM 0 HA GLU A 21 11.505 -1.522 -6.258 1.00 0.48 H new ATOM 0 HB2 GLU A 21 11.705 -0.401 -3.466 1.00 0.53 H new ATOM 0 HB3 GLU A 21 12.998 -0.590 -4.633 1.00 0.53 H new ATOM 0 HG2 GLU A 21 11.417 0.924 -6.150 1.00 1.47 H new ATOM 0 HG3 GLU A 21 10.742 1.396 -4.603 1.00 1.47 H new ATOM 330 N ASP A 22 12.338 -3.530 -5.114 1.00 0.61 N ATOM 331 CA ASP A 22 12.593 -4.937 -4.809 1.00 0.70 C ATOM 332 C ASP A 22 12.726 -5.188 -3.326 1.00 0.72 C ATOM 333 O ASP A 22 12.401 -6.268 -2.839 1.00 0.81 O ATOM 334 CB ASP A 22 13.900 -5.333 -5.461 1.00 0.87 C ATOM 335 CG ASP A 22 14.305 -6.769 -5.183 1.00 1.33 C ATOM 336 OD1 ASP A 22 13.917 -7.663 -5.966 1.00 1.43 O ATOM 337 OD2 ASP A 22 14.999 -7.016 -4.177 1.00 2.13 O ATOM 0 H ASP A 22 12.990 -3.143 -5.797 1.00 0.61 H new ATOM 0 HA ASP A 22 11.749 -5.517 -5.181 1.00 0.70 H new ATOM 0 HB2 ASP A 22 13.818 -5.189 -6.538 1.00 0.87 H new ATOM 0 HB3 ASP A 22 14.688 -4.667 -5.110 1.00 0.87 H new ATOM 342 N ASP A 23 13.182 -4.181 -2.606 1.00 0.69 N ATOM 343 CA ASP A 23 13.467 -4.361 -1.184 1.00 0.75 C ATOM 344 C ASP A 23 12.187 -4.172 -0.403 1.00 0.66 C ATOM 345 O ASP A 23 12.153 -4.242 0.827 1.00 0.75 O ATOM 346 CB ASP A 23 14.574 -3.428 -0.691 1.00 0.82 C ATOM 347 CG ASP A 23 14.158 -1.976 -0.580 1.00 1.53 C ATOM 348 OD1 ASP A 23 14.110 -1.457 0.560 1.00 1.85 O ATOM 349 OD2 ASP A 23 13.909 -1.345 -1.626 1.00 2.32 O ATOM 0 H ASP A 23 13.362 -3.244 -2.968 1.00 0.69 H new ATOM 0 HA ASP A 23 13.842 -5.372 -1.026 1.00 0.75 H new ATOM 0 HB2 ASP A 23 14.916 -3.772 0.285 1.00 0.82 H new ATOM 0 HB3 ASP A 23 15.424 -3.500 -1.370 1.00 0.82 H new ATOM 354 N GLY A 24 11.132 -3.923 -1.158 1.00 0.56 N ATOM 355 CA GLY A 24 9.794 -3.874 -0.596 1.00 0.55 C ATOM 356 C GLY A 24 9.441 -2.467 -0.220 1.00 0.48 C ATOM 357 O GLY A 24 8.597 -2.216 0.644 1.00 0.55 O ATOM 0 H GLY A 24 11.176 -3.751 -2.163 1.00 0.56 H new ATOM 0 HA2 GLY A 24 9.074 -4.256 -1.319 1.00 0.55 H new ATOM 0 HA3 GLY A 24 9.737 -4.518 0.282 1.00 0.55 H new ATOM 361 N THR A 25 10.108 -1.557 -0.888 1.00 0.40 N ATOM 362 CA THR A 25 10.161 -0.180 -0.488 1.00 0.39 C ATOM 363 C THR A 25 9.604 0.742 -1.570 1.00 0.36 C ATOM 364 O THR A 25 9.608 0.403 -2.751 1.00 0.41 O ATOM 365 CB THR A 25 11.634 0.157 -0.174 1.00 0.51 C ATOM 366 OG1 THR A 25 11.862 0.200 1.236 1.00 0.62 O ATOM 367 CG2 THR A 25 12.070 1.442 -0.836 1.00 0.47 C ATOM 0 H THR A 25 10.636 -1.760 -1.737 1.00 0.40 H new ATOM 0 HA THR A 25 9.539 -0.025 0.394 1.00 0.39 H new ATOM 0 HB THR A 25 12.245 -0.644 -0.590 1.00 0.51 H new ATOM 0 HG1 THR A 25 12.651 -0.338 1.456 1.00 0.62 H new ATOM 0 HG21 THR A 25 13.113 1.643 -0.590 1.00 0.47 H new ATOM 0 HG22 THR A 25 11.964 1.349 -1.917 1.00 0.47 H new ATOM 0 HG23 THR A 25 11.448 2.264 -0.480 1.00 0.47 H new ATOM 375 N VAL A 26 9.072 1.881 -1.138 1.00 0.33 N ATOM 376 CA VAL A 26 8.674 2.947 -2.024 1.00 0.37 C ATOM 377 C VAL A 26 8.878 4.293 -1.342 1.00 0.35 C ATOM 378 O VAL A 26 8.777 4.394 -0.119 1.00 0.32 O ATOM 379 CB VAL A 26 7.209 2.809 -2.446 1.00 0.42 C ATOM 380 CG1 VAL A 26 7.078 1.851 -3.614 1.00 0.47 C ATOM 381 CG2 VAL A 26 6.374 2.334 -1.285 1.00 0.41 C ATOM 0 H VAL A 26 8.907 2.083 -0.152 1.00 0.33 H new ATOM 0 HA VAL A 26 9.295 2.885 -2.917 1.00 0.37 H new ATOM 0 HB VAL A 26 6.847 3.788 -2.761 1.00 0.42 H new ATOM 0 HG11 VAL A 26 6.029 1.766 -3.899 1.00 0.47 H new ATOM 0 HG12 VAL A 26 7.655 2.227 -4.459 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.456 0.870 -3.324 1.00 0.47 H new ATOM 0 HG21 VAL A 26 5.334 2.240 -1.599 1.00 0.41 H new ATOM 0 HG22 VAL A 26 6.740 1.365 -0.946 1.00 0.41 H new ATOM 0 HG23 VAL A 26 6.443 3.053 -0.469 1.00 0.41 H new ATOM 391 N LEU A 27 9.184 5.317 -2.130 1.00 0.42 N ATOM 392 CA LEU A 27 9.316 6.677 -1.608 1.00 0.45 C ATOM 393 C LEU A 27 7.978 7.168 -1.085 1.00 0.43 C ATOM 394 O LEU A 27 7.119 7.575 -1.841 1.00 0.48 O ATOM 395 CB LEU A 27 9.861 7.654 -2.679 1.00 0.56 C ATOM 396 CG LEU A 27 9.559 7.388 -4.165 1.00 1.25 C ATOM 397 CD1 LEU A 27 10.432 6.318 -4.749 1.00 1.94 C ATOM 398 CD2 LEU A 27 8.097 7.066 -4.410 1.00 1.67 C ATOM 0 H LEU A 27 9.346 5.234 -3.134 1.00 0.42 H new ATOM 0 HA LEU A 27 10.036 6.649 -0.790 1.00 0.45 H new ATOM 0 HB2 LEU A 27 9.481 8.647 -2.440 1.00 0.56 H new ATOM 0 HB3 LEU A 27 10.945 7.692 -2.567 1.00 0.56 H new ATOM 0 HG LEU A 27 9.789 8.322 -4.678 1.00 1.25 H new ATOM 0 HD11 LEU A 27 10.176 6.172 -5.798 1.00 1.94 H new ATOM 0 HD12 LEU A 27 11.477 6.617 -4.669 1.00 1.94 H new ATOM 0 HD13 LEU A 27 10.279 5.386 -4.205 1.00 1.94 H new ATOM 0 HD21 LEU A 27 7.937 6.887 -5.473 1.00 1.67 H new ATOM 0 HD22 LEU A 27 7.821 6.175 -3.846 1.00 1.67 H new ATOM 0 HD23 LEU A 27 7.481 7.905 -4.087 1.00 1.67 H new ATOM 410 N LEU A 28 7.821 7.161 0.226 1.00 0.45 N ATOM 411 CA LEU A 28 6.543 7.457 0.828 1.00 0.49 C ATOM 412 C LEU A 28 6.151 8.890 0.505 1.00 0.46 C ATOM 413 O LEU A 28 5.094 9.132 -0.045 1.00 0.46 O ATOM 414 CB LEU A 28 6.658 7.209 2.333 1.00 0.63 C ATOM 415 CG LEU A 28 6.429 8.404 3.254 1.00 0.67 C ATOM 416 CD1 LEU A 28 4.947 8.728 3.380 1.00 0.83 C ATOM 417 CD2 LEU A 28 7.034 8.149 4.626 1.00 0.97 C ATOM 0 H LEU A 28 8.566 6.953 0.891 1.00 0.45 H new ATOM 0 HA LEU A 28 5.757 6.814 0.432 1.00 0.49 H new ATOM 0 HB2 LEU A 28 5.943 6.432 2.603 1.00 0.63 H new ATOM 0 HB3 LEU A 28 7.653 6.812 2.535 1.00 0.63 H new ATOM 0 HG LEU A 28 6.926 9.266 2.809 1.00 0.67 H new ATOM 0 HD11 LEU A 28 4.817 9.584 4.042 1.00 0.83 H new ATOM 0 HD12 LEU A 28 4.542 8.965 2.396 1.00 0.83 H new ATOM 0 HD13 LEU A 28 4.420 7.867 3.791 1.00 0.83 H new ATOM 0 HD21 LEU A 28 6.860 9.013 5.267 1.00 0.97 H new ATOM 0 HD22 LEU A 28 6.570 7.268 5.070 1.00 0.97 H new ATOM 0 HD23 LEU A 28 8.107 7.983 4.525 1.00 0.97 H new ATOM 429 N SER A 29 7.071 9.805 0.756 1.00 0.49 N ATOM 430 CA SER A 29 6.856 11.227 0.548 1.00 0.58 C ATOM 431 C SER A 29 6.754 11.530 -0.935 1.00 0.58 C ATOM 432 O SER A 29 5.926 12.343 -1.378 1.00 0.61 O ATOM 433 CB SER A 29 8.011 12.011 1.175 1.00 0.72 C ATOM 434 OG SER A 29 9.264 11.481 0.761 1.00 1.43 O ATOM 0 H SER A 29 7.999 9.579 1.114 1.00 0.49 H new ATOM 0 HA SER A 29 5.921 11.525 1.023 1.00 0.58 H new ATOM 0 HB2 SER A 29 7.942 13.060 0.888 1.00 0.72 H new ATOM 0 HB3 SER A 29 7.936 11.972 2.262 1.00 0.72 H new ATOM 0 HG SER A 29 9.989 11.997 1.171 1.00 1.43 H new ATOM 440 N THR A 30 7.561 10.824 -1.709 1.00 0.60 N ATOM 441 CA THR A 30 7.601 11.028 -3.125 1.00 0.68 C ATOM 442 C THR A 30 6.310 10.497 -3.732 1.00 0.65 C ATOM 443 O THR A 30 5.765 11.057 -4.685 1.00 0.74 O ATOM 444 CB THR A 30 8.862 10.406 -3.722 1.00 0.79 C ATOM 445 OG1 THR A 30 10.014 11.204 -3.413 1.00 1.42 O ATOM 446 CG2 THR A 30 8.712 10.235 -5.192 1.00 0.94 C ATOM 0 H THR A 30 8.196 10.103 -1.366 1.00 0.60 H new ATOM 0 HA THR A 30 7.661 12.090 -3.361 1.00 0.68 H new ATOM 0 HB THR A 30 9.006 9.421 -3.278 1.00 0.79 H new ATOM 0 HG1 THR A 30 10.813 10.790 -3.802 1.00 1.42 H new ATOM 0 HG21 THR A 30 9.619 9.791 -5.601 1.00 0.94 H new ATOM 0 HG22 THR A 30 7.864 9.582 -5.398 1.00 0.94 H new ATOM 0 HG23 THR A 30 8.543 11.207 -5.656 1.00 0.94 H new ATOM 454 N VAL A 31 5.797 9.446 -3.114 1.00 0.56 N ATOM 455 CA VAL A 31 4.480 8.946 -3.422 1.00 0.58 C ATOM 456 C VAL A 31 3.419 10.005 -3.111 1.00 0.56 C ATOM 457 O VAL A 31 2.554 10.255 -3.922 1.00 0.67 O ATOM 458 CB VAL A 31 4.199 7.628 -2.656 1.00 0.55 C ATOM 459 CG1 VAL A 31 2.716 7.399 -2.429 1.00 0.65 C ATOM 460 CG2 VAL A 31 4.782 6.462 -3.431 1.00 0.57 C ATOM 0 H VAL A 31 6.285 8.921 -2.388 1.00 0.56 H new ATOM 0 HA VAL A 31 4.434 8.726 -4.489 1.00 0.58 H new ATOM 0 HB VAL A 31 4.670 7.708 -1.676 1.00 0.55 H new ATOM 0 HG11 VAL A 31 2.571 6.463 -1.889 1.00 0.65 H new ATOM 0 HG12 VAL A 31 2.306 8.223 -1.845 1.00 0.65 H new ATOM 0 HG13 VAL A 31 2.205 7.346 -3.390 1.00 0.65 H new ATOM 0 HG21 VAL A 31 4.586 5.534 -2.894 1.00 0.57 H new ATOM 0 HG22 VAL A 31 4.322 6.415 -4.418 1.00 0.57 H new ATOM 0 HG23 VAL A 31 5.858 6.598 -3.539 1.00 0.57 H new ATOM 470 N THR A 32 3.515 10.667 -1.960 1.00 0.49 N ATOM 471 CA THR A 32 2.490 11.638 -1.552 1.00 0.52 C ATOM 472 C THR A 32 2.397 12.831 -2.501 1.00 0.64 C ATOM 473 O THR A 32 1.426 13.581 -2.430 1.00 0.72 O ATOM 474 CB THR A 32 2.640 12.154 -0.095 1.00 0.48 C ATOM 475 OG1 THR A 32 3.224 13.463 -0.070 1.00 0.67 O ATOM 476 CG2 THR A 32 3.499 11.237 0.728 1.00 0.52 C ATOM 0 H THR A 32 4.281 10.554 -1.296 1.00 0.49 H new ATOM 0 HA THR A 32 1.564 11.066 -1.602 1.00 0.52 H new ATOM 0 HB THR A 32 1.636 12.188 0.329 1.00 0.48 H new ATOM 0 HG1 THR A 32 4.130 13.424 -0.440 1.00 0.67 H new ATOM 0 HG21 THR A 32 3.582 11.629 1.742 1.00 0.52 H new ATOM 0 HG22 THR A 32 3.048 10.245 0.758 1.00 0.52 H new ATOM 0 HG23 THR A 32 4.491 11.170 0.282 1.00 0.52 H new ATOM 484 N ALA A 33 3.450 13.060 -3.296 1.00 0.69 N ATOM 485 CA ALA A 33 3.465 14.104 -4.349 1.00 0.82 C ATOM 486 C ALA A 33 2.325 14.006 -5.371 1.00 0.88 C ATOM 487 O ALA A 33 2.530 14.258 -6.561 1.00 0.93 O ATOM 488 CB ALA A 33 4.784 14.054 -5.076 1.00 0.89 C ATOM 0 H ALA A 33 4.320 12.531 -3.234 1.00 0.69 H new ATOM 0 HA ALA A 33 3.321 15.052 -3.830 1.00 0.82 H new ATOM 0 HB1 ALA A 33 4.801 14.820 -5.852 1.00 0.89 H new ATOM 0 HB2 ALA A 33 5.595 14.234 -4.371 1.00 0.89 H new ATOM 0 HB3 ALA A 33 4.911 13.072 -5.532 1.00 0.89 H new ATOM 494 N GLN A 34 1.133 13.690 -4.897 1.00 0.92 N ATOM 495 CA GLN A 34 -0.006 13.386 -5.737 1.00 0.98 C ATOM 496 C GLN A 34 -1.122 12.833 -4.888 1.00 0.91 C ATOM 497 O GLN A 34 -1.110 12.963 -3.661 1.00 0.81 O ATOM 498 CB GLN A 34 0.373 12.332 -6.755 1.00 1.04 C ATOM 499 CG GLN A 34 1.008 11.110 -6.149 1.00 0.94 C ATOM 500 CD GLN A 34 2.309 10.729 -6.836 1.00 0.96 C ATOM 501 OE1 GLN A 34 2.316 9.925 -7.768 1.00 1.05 O ATOM 502 NE2 GLN A 34 3.419 11.330 -6.405 1.00 0.89 N ATOM 0 H GLN A 34 0.928 13.637 -3.899 1.00 0.92 H new ATOM 0 HA GLN A 34 -0.324 14.299 -6.241 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -0.519 12.033 -7.305 1.00 1.04 H new ATOM 0 HB3 GLN A 34 1.062 12.768 -7.478 1.00 1.04 H new ATOM 0 HG2 GLN A 34 1.199 11.290 -5.091 1.00 0.94 H new ATOM 0 HG3 GLN A 34 0.311 10.274 -6.209 1.00 0.94 H new ATOM 0 HE21 GLN A 34 3.373 11.991 -5.629 1.00 0.89 H new ATOM 0 HE22 GLN A 34 4.314 11.129 -6.851 1.00 0.89 H new ATOM 511 N PHE A 35 -2.088 12.215 -5.541 1.00 0.98 N ATOM 512 CA PHE A 35 -3.047 11.401 -4.847 1.00 0.94 C ATOM 513 C PHE A 35 -2.791 9.934 -5.175 1.00 0.94 C ATOM 514 O PHE A 35 -3.312 9.399 -6.151 1.00 1.07 O ATOM 515 CB PHE A 35 -4.428 11.814 -5.320 1.00 1.08 C ATOM 516 CG PHE A 35 -4.963 13.050 -4.650 1.00 1.12 C ATOM 517 CD1 PHE A 35 -4.274 14.252 -4.716 1.00 1.15 C ATOM 518 CD2 PHE A 35 -6.164 13.010 -3.965 1.00 1.39 C ATOM 519 CE1 PHE A 35 -4.773 15.387 -4.108 1.00 1.25 C ATOM 520 CE2 PHE A 35 -6.667 14.141 -3.353 1.00 1.50 C ATOM 521 CZ PHE A 35 -5.971 15.331 -3.424 1.00 1.33 C ATOM 0 H PHE A 35 -2.223 12.266 -6.551 1.00 0.98 H new ATOM 0 HA PHE A 35 -2.967 11.533 -3.768 1.00 0.94 H new ATOM 0 HB2 PHE A 35 -4.396 11.982 -6.396 1.00 1.08 H new ATOM 0 HB3 PHE A 35 -5.121 10.991 -5.146 1.00 1.08 H new ATOM 0 HD1 PHE A 35 -3.336 14.301 -5.249 1.00 1.15 H new ATOM 0 HD2 PHE A 35 -6.715 12.083 -3.908 1.00 1.39 H new ATOM 0 HE1 PHE A 35 -4.227 16.317 -4.167 1.00 1.25 H new ATOM 0 HE2 PHE A 35 -7.605 14.095 -2.819 1.00 1.50 H new ATOM 0 HZ PHE A 35 -6.363 16.216 -2.945 1.00 1.33 H new ATOM 531 N PRO A 36 -1.970 9.273 -4.350 1.00 0.82 N ATOM 532 CA PRO A 36 -1.679 7.851 -4.446 1.00 0.85 C ATOM 533 C PRO A 36 -2.037 7.026 -3.199 1.00 0.77 C ATOM 534 O PRO A 36 -1.793 5.824 -3.157 1.00 0.83 O ATOM 535 CB PRO A 36 -0.175 7.939 -4.518 1.00 0.82 C ATOM 536 CG PRO A 36 0.136 8.971 -3.475 1.00 0.67 C ATOM 537 CD PRO A 36 -1.060 9.887 -3.398 1.00 0.69 C ATOM 0 HA PRO A 36 -2.228 7.365 -5.253 1.00 0.85 H new ATOM 0 HB2 PRO A 36 0.299 6.983 -4.298 1.00 0.82 H new ATOM 0 HB3 PRO A 36 0.167 8.244 -5.507 1.00 0.82 H new ATOM 0 HG2 PRO A 36 0.325 8.501 -2.510 1.00 0.67 H new ATOM 0 HG3 PRO A 36 1.034 9.529 -3.739 1.00 0.67 H new ATOM 0 HD2 PRO A 36 -1.483 9.923 -2.394 1.00 0.69 H new ATOM 0 HD3 PRO A 36 -0.809 10.911 -3.675 1.00 0.69 H new ATOM 545 N GLY A 37 -2.599 7.675 -2.190 1.00 0.67 N ATOM 546 CA GLY A 37 -2.613 7.101 -0.852 1.00 0.60 C ATOM 547 C GLY A 37 -1.644 7.848 0.045 1.00 0.48 C ATOM 548 O GLY A 37 -1.632 7.681 1.253 1.00 0.51 O ATOM 0 H GLY A 37 -3.046 8.588 -2.269 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -3.619 7.152 -0.436 1.00 0.60 H new ATOM 0 HA3 GLY A 37 -2.340 6.047 -0.897 1.00 0.60 H new ATOM 552 N ALA A 38 -0.844 8.680 -0.607 1.00 0.45 N ATOM 553 CA ALA A 38 0.095 9.610 0.007 1.00 0.40 C ATOM 554 C ALA A 38 1.026 8.981 1.038 1.00 0.35 C ATOM 555 O ALA A 38 2.110 8.517 0.696 1.00 0.43 O ATOM 556 CB ALA A 38 -0.639 10.801 0.589 1.00 0.41 C ATOM 0 H ALA A 38 -0.831 8.728 -1.626 1.00 0.45 H new ATOM 0 HA ALA A 38 0.749 9.944 -0.799 1.00 0.40 H new ATOM 0 HB1 ALA A 38 0.079 11.484 1.043 1.00 0.41 H new ATOM 0 HB2 ALA A 38 -1.180 11.318 -0.204 1.00 0.41 H new ATOM 0 HB3 ALA A 38 -1.344 10.459 1.347 1.00 0.41 H new ATOM 562 N SER A 39 0.597 8.941 2.286 1.00 0.32 N ATOM 563 CA SER A 39 1.521 8.749 3.387 1.00 0.34 C ATOM 564 C SER A 39 0.988 7.715 4.348 1.00 0.32 C ATOM 565 O SER A 39 1.732 6.909 4.912 1.00 0.48 O ATOM 566 CB SER A 39 1.725 10.089 4.094 1.00 0.41 C ATOM 567 OG SER A 39 2.508 9.965 5.268 1.00 1.11 O ATOM 0 H SER A 39 -0.380 9.038 2.561 1.00 0.32 H new ATOM 0 HA SER A 39 2.477 8.388 3.008 1.00 0.34 H new ATOM 0 HB2 SER A 39 2.207 10.788 3.411 1.00 0.41 H new ATOM 0 HB3 SER A 39 0.754 10.513 4.351 1.00 0.41 H new ATOM 0 HG SER A 39 2.613 10.845 5.685 1.00 1.11 H new ATOM 573 N GLY A 40 -0.312 7.738 4.513 1.00 0.36 N ATOM 574 CA GLY A 40 -0.964 6.820 5.385 1.00 0.35 C ATOM 575 C GLY A 40 -1.517 5.673 4.612 1.00 0.32 C ATOM 576 O GLY A 40 -1.814 5.810 3.427 1.00 0.39 O ATOM 0 H GLY A 40 -0.937 8.394 4.044 1.00 0.36 H new ATOM 0 HA2 GLY A 40 -0.260 6.457 6.133 1.00 0.35 H new ATOM 0 HA3 GLY A 40 -1.767 7.326 5.922 1.00 0.35 H new ATOM 580 N LEU A 41 -1.691 4.548 5.248 1.00 0.28 N ATOM 581 CA LEU A 41 -2.259 3.443 4.543 1.00 0.26 C ATOM 582 C LEU A 41 -3.361 2.767 5.308 1.00 0.25 C ATOM 583 O LEU A 41 -3.410 2.789 6.540 1.00 0.28 O ATOM 584 CB LEU A 41 -1.214 2.398 4.174 1.00 0.29 C ATOM 585 CG LEU A 41 -0.933 2.271 2.684 1.00 0.35 C ATOM 586 CD1 LEU A 41 -2.220 2.053 1.915 1.00 0.56 C ATOM 587 CD2 LEU A 41 -0.219 3.503 2.175 1.00 0.45 C ATOM 0 H LEU A 41 -1.454 4.377 6.225 1.00 0.28 H new ATOM 0 HA LEU A 41 -2.677 3.876 3.634 1.00 0.26 H new ATOM 0 HB2 LEU A 41 -0.282 2.641 4.685 1.00 0.29 H new ATOM 0 HB3 LEU A 41 -1.541 1.429 4.551 1.00 0.29 H new ATOM 0 HG LEU A 41 -0.288 1.406 2.529 1.00 0.35 H new ATOM 0 HD11 LEU A 41 -1.998 1.965 0.852 1.00 0.56 H new ATOM 0 HD12 LEU A 41 -2.701 1.139 2.262 1.00 0.56 H new ATOM 0 HD13 LEU A 41 -2.888 2.899 2.077 1.00 0.56 H new ATOM 0 HD21 LEU A 41 -0.025 3.396 1.108 1.00 0.45 H new ATOM 0 HD22 LEU A 41 -0.842 4.381 2.345 1.00 0.45 H new ATOM 0 HD23 LEU A 41 0.726 3.621 2.705 1.00 0.45 H new ATOM 599 N ARG A 42 -4.266 2.215 4.539 1.00 0.23 N ATOM 600 CA ARG A 42 -5.196 1.217 5.009 1.00 0.21 C ATOM 601 C ARG A 42 -5.250 0.164 3.935 1.00 0.21 C ATOM 602 O ARG A 42 -4.956 0.483 2.807 1.00 0.27 O ATOM 603 CB ARG A 42 -6.550 1.828 5.228 1.00 0.24 C ATOM 604 CG ARG A 42 -6.452 3.096 6.024 1.00 0.32 C ATOM 605 CD ARG A 42 -7.774 3.807 6.015 1.00 0.39 C ATOM 606 NE ARG A 42 -7.716 5.087 6.717 1.00 0.99 N ATOM 607 CZ ARG A 42 -8.317 6.198 6.293 1.00 1.25 C ATOM 608 NH1 ARG A 42 -9.027 6.188 5.174 1.00 1.20 N ATOM 609 NH2 ARG A 42 -8.208 7.315 6.994 1.00 1.94 N ATOM 0 H ARG A 42 -4.380 2.450 3.553 1.00 0.23 H new ATOM 0 HA ARG A 42 -4.883 0.791 5.962 1.00 0.21 H new ATOM 0 HB2 ARG A 42 -7.018 2.035 4.266 1.00 0.24 H new ATOM 0 HB3 ARG A 42 -7.192 1.118 5.749 1.00 0.24 H new ATOM 0 HG2 ARG A 42 -6.157 2.871 7.049 1.00 0.32 H new ATOM 0 HG3 ARG A 42 -5.679 3.740 5.604 1.00 0.32 H new ATOM 0 HD2 ARG A 42 -8.088 3.973 4.985 1.00 0.39 H new ATOM 0 HD3 ARG A 42 -8.529 3.173 6.480 1.00 0.39 H new ATOM 0 HE ARG A 42 -7.183 5.133 7.585 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -9.115 5.327 4.634 1.00 1.20 H new ATOM 0 HH12 ARG A 42 -9.485 7.041 4.853 1.00 1.20 H new ATOM 0 HH21 ARG A 42 -7.665 7.324 7.857 1.00 1.94 H new ATOM 0 HH22 ARG A 42 -8.667 8.167 6.671 1.00 1.94 H new ATOM 623 N TYR A 43 -5.489 -1.088 4.250 1.00 0.22 N ATOM 624 CA TYR A 43 -5.729 -2.045 3.182 1.00 0.25 C ATOM 625 C TYR A 43 -6.545 -3.219 3.632 1.00 0.33 C ATOM 626 O TYR A 43 -6.599 -3.531 4.818 1.00 0.41 O ATOM 627 CB TYR A 43 -4.431 -2.512 2.566 1.00 0.26 C ATOM 628 CG TYR A 43 -3.565 -3.367 3.465 1.00 0.39 C ATOM 629 CD1 TYR A 43 -2.714 -2.796 4.392 1.00 0.70 C ATOM 630 CD2 TYR A 43 -3.608 -4.750 3.384 1.00 0.98 C ATOM 631 CE1 TYR A 43 -1.925 -3.578 5.217 1.00 0.77 C ATOM 632 CE2 TYR A 43 -2.823 -5.539 4.201 1.00 1.14 C ATOM 633 CZ TYR A 43 -1.982 -4.949 5.116 1.00 0.76 C ATOM 634 OH TYR A 43 -1.201 -5.732 5.940 1.00 0.97 O ATOM 0 H TYR A 43 -5.523 -1.463 5.198 1.00 0.22 H new ATOM 0 HA TYR A 43 -6.309 -1.520 2.424 1.00 0.25 H new ATOM 0 HB2 TYR A 43 -4.658 -3.077 1.662 1.00 0.26 H new ATOM 0 HB3 TYR A 43 -3.857 -1.638 2.259 1.00 0.26 H new ATOM 0 HD1 TYR A 43 -2.664 -1.720 4.474 1.00 0.70 H new ATOM 0 HD2 TYR A 43 -4.268 -5.219 2.669 1.00 0.98 H new ATOM 0 HE1 TYR A 43 -1.267 -3.114 5.937 1.00 0.77 H new ATOM 0 HE2 TYR A 43 -2.869 -6.615 4.122 1.00 1.14 H new ATOM 0 HH TYR A 43 -0.603 -6.285 5.395 1.00 0.97 H new ATOM 644 N ARG A 44 -7.168 -3.868 2.669 1.00 0.35 N ATOM 645 CA ARG A 44 -8.097 -4.928 2.958 1.00 0.43 C ATOM 646 C ARG A 44 -7.634 -6.301 2.469 1.00 0.47 C ATOM 647 O ARG A 44 -7.066 -6.437 1.357 1.00 0.50 O ATOM 648 CB ARG A 44 -9.476 -4.588 2.381 1.00 0.57 C ATOM 649 CG ARG A 44 -10.518 -5.672 2.597 1.00 1.17 C ATOM 650 CD ARG A 44 -11.917 -5.191 2.241 1.00 1.33 C ATOM 651 NE ARG A 44 -11.976 -4.592 0.911 1.00 1.56 N ATOM 652 CZ ARG A 44 -12.879 -4.902 -0.016 1.00 1.98 C ATOM 653 NH1 ARG A 44 -13.793 -5.842 0.216 1.00 2.27 N ATOM 654 NH2 ARG A 44 -12.870 -4.269 -1.181 1.00 2.72 N ATOM 0 H ARG A 44 -7.043 -3.674 1.675 1.00 0.35 H new ATOM 0 HA ARG A 44 -8.156 -5.001 4.044 1.00 0.43 H new ATOM 0 HB2 ARG A 44 -9.830 -3.662 2.834 1.00 0.57 H new ATOM 0 HB3 ARG A 44 -9.376 -4.402 1.312 1.00 0.57 H new ATOM 0 HG2 ARG A 44 -10.268 -6.542 1.991 1.00 1.17 H new ATOM 0 HG3 ARG A 44 -10.498 -5.993 3.639 1.00 1.17 H new ATOM 0 HD2 ARG A 44 -12.611 -6.030 2.290 1.00 1.33 H new ATOM 0 HD3 ARG A 44 -12.247 -4.461 2.980 1.00 1.33 H new ATOM 0 HE ARG A 44 -11.277 -3.887 0.676 1.00 1.56 H new ATOM 0 HH11 ARG A 44 -13.805 -6.332 1.111 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -14.481 -6.072 -0.501 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -12.173 -3.547 -1.364 1.00 2.72 H new ATOM 0 HH22 ARG A 44 -13.560 -4.504 -1.894 1.00 2.72 H new ATOM 668 N ASN A 45 -7.777 -7.254 3.411 1.00 0.55 N ATOM 669 CA ASN A 45 -8.149 -8.659 3.157 1.00 0.90 C ATOM 670 C ASN A 45 -7.055 -9.722 3.273 1.00 1.23 C ATOM 671 O ASN A 45 -7.078 -10.439 4.268 1.00 1.89 O ATOM 672 CB ASN A 45 -8.999 -8.799 1.907 1.00 1.76 C ATOM 673 CG ASN A 45 -9.236 -10.240 1.494 1.00 2.34 C ATOM 674 OD1 ASN A 45 -9.400 -11.120 2.335 1.00 3.04 O ATOM 675 ND2 ASN A 45 -9.253 -10.485 0.197 1.00 2.60 N ATOM 0 H ASN A 45 -7.632 -7.060 4.402 1.00 0.55 H new ATOM 0 HA ASN A 45 -8.762 -8.908 4.023 1.00 0.90 H new ATOM 0 HB2 ASN A 45 -9.961 -8.315 2.075 1.00 1.76 H new ATOM 0 HB3 ASN A 45 -8.515 -8.269 1.087 1.00 1.76 H new ATOM 0 HD21 ASN A 45 -9.407 -11.435 -0.141 1.00 2.60 H new ATOM 0 HD22 ASN A 45 -9.112 -9.724 -0.468 1.00 2.60 H new ATOM 682 N PRO A 46 -6.113 -9.891 2.315 1.00 1.76 N ATOM 683 CA PRO A 46 -5.172 -11.036 2.328 1.00 2.54 C ATOM 684 C PRO A 46 -4.360 -11.177 3.622 1.00 2.96 C ATOM 685 O PRO A 46 -3.582 -12.118 3.780 1.00 3.62 O ATOM 686 CB PRO A 46 -4.264 -10.769 1.131 1.00 3.25 C ATOM 687 CG PRO A 46 -5.099 -9.940 0.226 1.00 3.16 C ATOM 688 CD PRO A 46 -5.890 -9.046 1.134 1.00 2.27 C ATOM 0 HA PRO A 46 -5.712 -11.981 2.272 1.00 2.54 H new ATOM 0 HB2 PRO A 46 -3.356 -10.245 1.428 1.00 3.25 H new ATOM 0 HB3 PRO A 46 -3.954 -11.697 0.650 1.00 3.25 H new ATOM 0 HG2 PRO A 46 -4.481 -9.359 -0.459 1.00 3.16 H new ATOM 0 HG3 PRO A 46 -5.754 -10.561 -0.385 1.00 3.16 H new ATOM 0 HD2 PRO A 46 -5.342 -8.138 1.385 1.00 2.27 H new ATOM 0 HD3 PRO A 46 -6.829 -8.735 0.677 1.00 2.27 H new ATOM 696 N VAL A 47 -4.538 -10.239 4.539 1.00 2.80 N ATOM 697 CA VAL A 47 -4.036 -10.388 5.884 1.00 3.37 C ATOM 698 C VAL A 47 -5.190 -10.696 6.831 1.00 3.08 C ATOM 699 O VAL A 47 -5.595 -11.849 6.975 1.00 3.41 O ATOM 700 CB VAL A 47 -3.249 -9.142 6.341 1.00 3.84 C ATOM 701 CG1 VAL A 47 -4.034 -7.843 6.157 1.00 3.33 C ATOM 702 CG2 VAL A 47 -2.764 -9.305 7.776 1.00 4.42 C ATOM 0 H VAL A 47 -5.031 -9.362 4.368 1.00 2.80 H new ATOM 0 HA VAL A 47 -3.335 -11.223 5.901 1.00 3.37 H new ATOM 0 HB VAL A 47 -2.377 -9.062 5.692 1.00 3.84 H new ATOM 0 HG11 VAL A 47 -3.430 -7.002 6.496 1.00 3.33 H new ATOM 0 HG12 VAL A 47 -4.280 -7.712 5.103 1.00 3.33 H new ATOM 0 HG13 VAL A 47 -4.953 -7.888 6.741 1.00 3.33 H new ATOM 0 HG21 VAL A 47 -2.212 -8.415 8.077 1.00 4.42 H new ATOM 0 HG22 VAL A 47 -3.620 -9.441 8.436 1.00 4.42 H new ATOM 0 HG23 VAL A 47 -2.112 -10.176 7.843 1.00 4.42 H new ATOM 712 N SER A 48 -5.723 -9.667 7.456 1.00 2.74 N ATOM 713 CA SER A 48 -6.791 -9.828 8.395 1.00 2.75 C ATOM 714 C SER A 48 -8.112 -9.249 7.859 1.00 1.96 C ATOM 715 O SER A 48 -9.100 -9.186 8.590 1.00 2.33 O ATOM 716 CB SER A 48 -6.392 -9.156 9.714 1.00 3.21 C ATOM 717 OG SER A 48 -7.300 -9.448 10.763 1.00 3.32 O ATOM 0 H SER A 48 -5.423 -8.702 7.322 1.00 2.74 H new ATOM 0 HA SER A 48 -6.961 -10.892 8.560 1.00 2.75 H new ATOM 0 HB2 SER A 48 -5.393 -9.485 9.999 1.00 3.21 H new ATOM 0 HB3 SER A 48 -6.343 -8.077 9.569 1.00 3.21 H new ATOM 0 HG SER A 48 -8.215 -9.446 10.413 1.00 3.32 H new ATOM 723 N GLN A 49 -8.124 -8.825 6.581 1.00 1.21 N ATOM 724 CA GLN A 49 -9.214 -8.035 6.029 1.00 1.14 C ATOM 725 C GLN A 49 -9.527 -6.801 6.879 1.00 1.20 C ATOM 726 O GLN A 49 -10.637 -6.270 6.859 1.00 1.90 O ATOM 727 CB GLN A 49 -10.447 -8.865 5.874 1.00 1.97 C ATOM 728 CG GLN A 49 -11.263 -8.358 4.734 1.00 2.63 C ATOM 729 CD GLN A 49 -12.309 -9.315 4.292 1.00 3.38 C ATOM 730 OE1 GLN A 49 -13.450 -9.298 4.754 1.00 4.20 O ATOM 731 NE2 GLN A 49 -11.917 -10.160 3.389 1.00 3.27 N ATOM 0 H GLN A 49 -7.378 -9.025 5.915 1.00 1.21 H new ATOM 0 HA GLN A 49 -8.883 -7.690 5.049 1.00 1.14 H new ATOM 0 HB2 GLN A 49 -10.175 -9.906 5.702 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -11.033 -8.836 6.793 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -11.737 -7.420 5.024 1.00 2.63 H new ATOM 0 HG3 GLN A 49 -10.604 -8.136 3.894 1.00 2.63 H new ATOM 0 HE21 GLN A 49 -10.958 -10.128 3.042 1.00 3.27 H new ATOM 0 HE22 GLN A 49 -12.567 -10.857 3.026 1.00 3.27 H new ATOM 740 N SER A 50 -8.533 -6.350 7.599 1.00 0.86 N ATOM 741 CA SER A 50 -8.639 -5.154 8.421 1.00 0.87 C ATOM 742 C SER A 50 -7.882 -4.019 7.761 1.00 0.98 C ATOM 743 O SER A 50 -6.773 -4.236 7.280 1.00 1.72 O ATOM 744 CB SER A 50 -8.063 -5.409 9.804 1.00 0.91 C ATOM 745 OG SER A 50 -8.516 -4.441 10.738 1.00 1.46 O ATOM 0 H SER A 50 -7.618 -6.799 7.638 1.00 0.86 H new ATOM 0 HA SER A 50 -9.691 -4.888 8.521 1.00 0.87 H new ATOM 0 HB2 SER A 50 -8.349 -6.405 10.142 1.00 0.91 H new ATOM 0 HB3 SER A 50 -6.974 -5.390 9.756 1.00 0.91 H new ATOM 0 HG SER A 50 -8.131 -4.631 11.619 1.00 1.46 H new ATOM 751 N MET A 51 -8.481 -2.824 7.736 1.00 0.51 N ATOM 752 CA MET A 51 -7.854 -1.653 7.118 1.00 0.48 C ATOM 753 C MET A 51 -6.555 -1.282 7.833 1.00 0.44 C ATOM 754 O MET A 51 -6.525 -0.435 8.724 1.00 0.59 O ATOM 755 CB MET A 51 -8.819 -0.454 7.091 1.00 0.57 C ATOM 756 CG MET A 51 -9.375 -0.058 8.451 1.00 1.07 C ATOM 757 SD MET A 51 -10.404 1.423 8.372 1.00 1.84 S ATOM 758 CE MET A 51 -10.819 1.634 10.101 1.00 2.35 C ATOM 0 H MET A 51 -9.401 -2.643 8.138 1.00 0.51 H new ATOM 0 HA MET A 51 -7.612 -1.916 6.088 1.00 0.48 H new ATOM 0 HB2 MET A 51 -8.301 0.403 6.661 1.00 0.57 H new ATOM 0 HB3 MET A 51 -9.651 -0.689 6.427 1.00 0.57 H new ATOM 0 HG2 MET A 51 -9.962 -0.883 8.854 1.00 1.07 H new ATOM 0 HG3 MET A 51 -8.549 0.113 9.142 1.00 1.07 H new ATOM 0 HE1 MET A 51 -11.454 2.512 10.218 1.00 2.35 H new ATOM 0 HE2 MET A 51 -11.350 0.752 10.458 1.00 2.35 H new ATOM 0 HE3 MET A 51 -9.906 1.767 10.681 1.00 2.35 H new ATOM 768 N ARG A 52 -5.479 -1.924 7.424 1.00 0.35 N ATOM 769 CA ARG A 52 -4.192 -1.738 8.049 1.00 0.36 C ATOM 770 C ARG A 52 -3.329 -0.809 7.238 1.00 0.28 C ATOM 771 O ARG A 52 -3.450 -0.721 6.030 1.00 0.30 O ATOM 772 CB ARG A 52 -3.486 -3.071 8.190 1.00 0.48 C ATOM 773 CG ARG A 52 -2.096 -2.983 8.748 1.00 0.75 C ATOM 774 CD ARG A 52 -1.552 -4.381 8.869 1.00 0.70 C ATOM 775 NE ARG A 52 -0.292 -4.448 9.607 1.00 1.42 N ATOM 776 CZ ARG A 52 0.185 -5.563 10.164 1.00 1.76 C ATOM 777 NH1 ARG A 52 -0.512 -6.692 10.107 1.00 1.81 N ATOM 778 NH2 ARG A 52 1.346 -5.536 10.807 1.00 2.48 N ATOM 0 H ARG A 52 -5.476 -2.588 6.650 1.00 0.35 H new ATOM 0 HA ARG A 52 -4.357 -1.300 9.033 1.00 0.36 H new ATOM 0 HB2 ARG A 52 -4.082 -3.717 8.834 1.00 0.48 H new ATOM 0 HB3 ARG A 52 -3.442 -3.550 7.212 1.00 0.48 H new ATOM 0 HG2 ARG A 52 -1.461 -2.383 8.096 1.00 0.75 H new ATOM 0 HG3 ARG A 52 -2.107 -2.493 9.722 1.00 0.75 H new ATOM 0 HD2 ARG A 52 -2.291 -5.009 9.367 1.00 0.70 H new ATOM 0 HD3 ARG A 52 -1.403 -4.793 7.871 1.00 0.70 H new ATOM 0 HE ARG A 52 0.255 -3.592 9.702 1.00 1.42 H new ATOM 0 HH11 ARG A 52 -1.416 -6.710 9.636 1.00 1.81 H new ATOM 0 HH12 ARG A 52 -0.143 -7.541 10.534 1.00 1.81 H new ATOM 0 HH21 ARG A 52 1.871 -4.664 10.875 1.00 2.48 H new ATOM 0 HH22 ARG A 52 1.713 -6.387 11.234 1.00 2.48 H new ATOM 792 N GLY A 53 -2.476 -0.118 7.922 1.00 0.32 N ATOM 793 CA GLY A 53 -1.522 0.743 7.277 1.00 0.35 C ATOM 794 C GLY A 53 -0.203 0.086 6.937 1.00 0.32 C ATOM 795 O GLY A 53 0.161 -0.964 7.468 1.00 0.41 O ATOM 0 H GLY A 53 -2.416 -0.130 8.940 1.00 0.32 H new ATOM 0 HA2 GLY A 53 -1.966 1.131 6.360 1.00 0.35 H new ATOM 0 HA3 GLY A 53 -1.330 1.598 7.925 1.00 0.35 H new ATOM 799 N VAL A 54 0.485 0.736 6.018 1.00 0.31 N ATOM 800 CA VAL A 54 1.784 0.317 5.516 1.00 0.31 C ATOM 801 C VAL A 54 2.888 1.110 6.212 1.00 0.28 C ATOM 802 O VAL A 54 2.714 2.290 6.500 1.00 0.29 O ATOM 803 CB VAL A 54 1.869 0.481 3.980 1.00 0.36 C ATOM 804 CG1 VAL A 54 3.270 0.197 3.463 1.00 0.40 C ATOM 805 CG2 VAL A 54 0.870 -0.445 3.304 1.00 0.43 C ATOM 0 H VAL A 54 0.147 1.596 5.586 1.00 0.31 H new ATOM 0 HA VAL A 54 1.918 -0.742 5.738 1.00 0.31 H new ATOM 0 HB VAL A 54 1.628 1.517 3.741 1.00 0.36 H new ATOM 0 HG11 VAL A 54 3.291 0.322 2.380 1.00 0.40 H new ATOM 0 HG12 VAL A 54 3.975 0.890 3.922 1.00 0.40 H new ATOM 0 HG13 VAL A 54 3.551 -0.826 3.715 1.00 0.40 H new ATOM 0 HG21 VAL A 54 0.936 -0.324 2.223 1.00 0.43 H new ATOM 0 HG22 VAL A 54 1.095 -1.478 3.568 1.00 0.43 H new ATOM 0 HG23 VAL A 54 -0.138 -0.197 3.636 1.00 0.43 H new ATOM 815 N ARG A 55 4.006 0.448 6.501 1.00 0.30 N ATOM 816 CA ARG A 55 5.032 1.012 7.374 1.00 0.33 C ATOM 817 C ARG A 55 5.706 2.217 6.754 1.00 0.33 C ATOM 818 O ARG A 55 6.092 2.177 5.595 1.00 0.36 O ATOM 819 CB ARG A 55 6.084 -0.017 7.688 1.00 0.42 C ATOM 820 CG ARG A 55 5.503 -1.254 8.314 1.00 0.63 C ATOM 821 CD ARG A 55 5.203 -2.285 7.252 1.00 1.67 C ATOM 822 NE ARG A 55 4.530 -3.465 7.782 1.00 2.30 N ATOM 823 CZ ARG A 55 3.208 -3.619 7.814 1.00 3.38 C ATOM 824 NH1 ARG A 55 2.409 -2.628 7.434 1.00 4.11 N ATOM 825 NH2 ARG A 55 2.689 -4.758 8.248 1.00 3.89 N ATOM 0 H ARG A 55 4.224 -0.482 6.142 1.00 0.30 H new ATOM 0 HA ARG A 55 4.527 1.325 8.288 1.00 0.33 H new ATOM 0 HB2 ARG A 55 6.609 -0.288 6.772 1.00 0.42 H new ATOM 0 HB3 ARG A 55 6.823 0.416 8.362 1.00 0.42 H new ATOM 0 HG2 ARG A 55 6.202 -1.665 9.042 1.00 0.63 H new ATOM 0 HG3 ARG A 55 4.591 -1.002 8.855 1.00 0.63 H new ATOM 0 HD2 ARG A 55 4.580 -1.834 6.480 1.00 1.67 H new ATOM 0 HD3 ARG A 55 6.134 -2.588 6.773 1.00 1.67 H new ATOM 0 HE ARG A 55 5.108 -4.220 8.151 1.00 2.30 H new ATOM 0 HH11 ARG A 55 2.808 -1.745 7.116 1.00 4.11 H new ATOM 0 HH12 ARG A 55 1.397 -2.750 7.460 1.00 4.11 H new ATOM 0 HH21 ARG A 55 3.302 -5.513 8.556 1.00 3.89 H new ATOM 0 HH22 ARG A 55 1.677 -4.880 8.274 1.00 3.89 H new ATOM 839 N LEU A 56 5.861 3.278 7.522 1.00 0.37 N ATOM 840 CA LEU A 56 6.640 4.416 7.067 1.00 0.38 C ATOM 841 C LEU A 56 7.921 4.530 7.901 1.00 0.40 C ATOM 842 O LEU A 56 7.877 4.698 9.119 1.00 0.48 O ATOM 843 CB LEU A 56 5.796 5.725 7.040 1.00 0.45 C ATOM 844 CG LEU A 56 5.305 6.359 8.368 1.00 0.58 C ATOM 845 CD1 LEU A 56 4.768 5.329 9.354 1.00 1.48 C ATOM 846 CD2 LEU A 56 6.389 7.218 9.006 1.00 1.53 C ATOM 0 H LEU A 56 5.462 3.377 8.456 1.00 0.37 H new ATOM 0 HA LEU A 56 6.939 4.254 6.031 1.00 0.38 H new ATOM 0 HB2 LEU A 56 6.385 6.480 6.519 1.00 0.45 H new ATOM 0 HB3 LEU A 56 4.915 5.530 6.429 1.00 0.45 H new ATOM 0 HG LEU A 56 4.467 7.005 8.108 1.00 0.58 H new ATOM 0 HD11 LEU A 56 4.440 5.832 10.263 1.00 1.48 H new ATOM 0 HD12 LEU A 56 3.925 4.802 8.907 1.00 1.48 H new ATOM 0 HD13 LEU A 56 5.554 4.615 9.598 1.00 1.48 H new ATOM 0 HD21 LEU A 56 6.013 7.648 9.935 1.00 1.53 H new ATOM 0 HD22 LEU A 56 7.263 6.602 9.219 1.00 1.53 H new ATOM 0 HD23 LEU A 56 6.668 8.020 8.322 1.00 1.53 H new ATOM 858 N VAL A 57 9.066 4.347 7.248 1.00 0.37 N ATOM 859 CA VAL A 57 10.350 4.338 7.934 1.00 0.42 C ATOM 860 C VAL A 57 11.347 5.194 7.178 1.00 0.44 C ATOM 861 O VAL A 57 11.636 4.904 6.035 1.00 0.43 O ATOM 862 CB VAL A 57 10.938 2.913 8.014 1.00 0.44 C ATOM 863 CG1 VAL A 57 12.042 2.854 9.056 1.00 0.53 C ATOM 864 CG2 VAL A 57 9.861 1.874 8.306 1.00 0.49 C ATOM 0 H VAL A 57 9.128 4.203 6.240 1.00 0.37 H new ATOM 0 HA VAL A 57 10.179 4.724 8.939 1.00 0.42 H new ATOM 0 HB VAL A 57 11.364 2.674 7.040 1.00 0.44 H new ATOM 0 HG11 VAL A 57 12.447 1.843 9.101 1.00 0.53 H new ATOM 0 HG12 VAL A 57 12.835 3.551 8.785 1.00 0.53 H new ATOM 0 HG13 VAL A 57 11.637 3.126 10.031 1.00 0.53 H new ATOM 0 HG21 VAL A 57 10.314 0.884 8.355 1.00 0.49 H new ATOM 0 HG22 VAL A 57 9.384 2.102 9.259 1.00 0.49 H new ATOM 0 HG23 VAL A 57 9.113 1.892 7.513 1.00 0.49 H new ATOM 874 N GLU A 58 11.863 6.242 7.806 1.00 0.53 N ATOM 875 CA GLU A 58 12.902 7.083 7.192 1.00 0.60 C ATOM 876 C GLU A 58 12.448 7.647 5.845 1.00 0.54 C ATOM 877 O GLU A 58 13.244 7.772 4.912 1.00 0.60 O ATOM 878 CB GLU A 58 14.186 6.276 6.984 1.00 0.71 C ATOM 879 CG GLU A 58 14.656 5.548 8.223 1.00 0.78 C ATOM 880 CD GLU A 58 15.893 4.711 7.973 1.00 1.12 C ATOM 881 OE1 GLU A 58 17.002 5.283 7.921 1.00 1.51 O ATOM 882 OE2 GLU A 58 15.769 3.476 7.838 1.00 1.50 O ATOM 0 H GLU A 58 11.584 6.537 8.742 1.00 0.53 H new ATOM 0 HA GLU A 58 13.089 7.913 7.873 1.00 0.60 H new ATOM 0 HB2 GLU A 58 14.023 5.550 6.187 1.00 0.71 H new ATOM 0 HB3 GLU A 58 14.976 6.947 6.647 1.00 0.71 H new ATOM 0 HG2 GLU A 58 14.866 6.274 9.009 1.00 0.78 H new ATOM 0 HG3 GLU A 58 13.855 4.905 8.588 1.00 0.78 H new ATOM 889 N GLY A 59 11.169 7.977 5.743 1.00 0.49 N ATOM 890 CA GLY A 59 10.638 8.485 4.494 1.00 0.49 C ATOM 891 C GLY A 59 10.244 7.380 3.528 1.00 0.45 C ATOM 892 O GLY A 59 9.785 7.654 2.417 1.00 0.51 O ATOM 0 H GLY A 59 10.490 7.903 6.501 1.00 0.49 H new ATOM 0 HA2 GLY A 59 9.768 9.107 4.701 1.00 0.49 H new ATOM 0 HA3 GLY A 59 11.383 9.126 4.022 1.00 0.49 H new ATOM 896 N ILE A 60 10.422 6.132 3.940 1.00 0.38 N ATOM 897 CA ILE A 60 10.053 4.998 3.111 1.00 0.35 C ATOM 898 C ILE A 60 8.688 4.461 3.483 1.00 0.31 C ATOM 899 O ILE A 60 8.295 4.502 4.646 1.00 0.32 O ATOM 900 CB ILE A 60 10.994 3.819 3.258 1.00 0.35 C ATOM 901 CG1 ILE A 60 12.421 4.270 3.424 1.00 0.43 C ATOM 902 CG2 ILE A 60 10.858 2.940 2.033 1.00 0.38 C ATOM 903 CD1 ILE A 60 13.331 3.128 3.709 1.00 0.49 C ATOM 0 H ILE A 60 10.820 5.882 4.845 1.00 0.38 H new ATOM 0 HA ILE A 60 10.083 5.390 2.094 1.00 0.35 H new ATOM 0 HB ILE A 60 10.727 3.259 4.155 1.00 0.35 H new ATOM 0 HG12 ILE A 60 12.749 4.779 2.518 1.00 0.43 H new ATOM 0 HG13 ILE A 60 12.481 4.994 4.236 1.00 0.43 H new ATOM 0 HG21 ILE A 60 11.529 2.086 2.122 1.00 0.38 H new ATOM 0 HG22 ILE A 60 9.830 2.587 1.951 1.00 0.38 H new ATOM 0 HG23 ILE A 60 11.117 3.514 1.143 1.00 0.38 H new ATOM 0 HD11 ILE A 60 14.351 3.495 3.822 1.00 0.49 H new ATOM 0 HD12 ILE A 60 13.019 2.635 4.630 1.00 0.49 H new ATOM 0 HD13 ILE A 60 13.291 2.416 2.884 1.00 0.49 H new ATOM 915 N LEU A 61 7.977 3.954 2.501 1.00 0.31 N ATOM 916 CA LEU A 61 6.786 3.170 2.757 1.00 0.31 C ATOM 917 C LEU A 61 7.144 1.700 2.531 1.00 0.31 C ATOM 918 O LEU A 61 7.509 1.322 1.418 1.00 0.35 O ATOM 919 CB LEU A 61 5.649 3.613 1.834 1.00 0.37 C ATOM 920 CG LEU A 61 4.247 3.258 2.316 1.00 0.69 C ATOM 921 CD1 LEU A 61 3.877 4.089 3.539 1.00 0.94 C ATOM 922 CD2 LEU A 61 3.234 3.460 1.197 1.00 1.07 C ATOM 0 H LEU A 61 8.203 4.070 1.513 1.00 0.31 H new ATOM 0 HA LEU A 61 6.441 3.314 3.781 1.00 0.31 H new ATOM 0 HB2 LEU A 61 5.708 4.694 1.703 1.00 0.37 H new ATOM 0 HB3 LEU A 61 5.803 3.164 0.853 1.00 0.37 H new ATOM 0 HG LEU A 61 4.233 2.207 2.603 1.00 0.69 H new ATOM 0 HD11 LEU A 61 2.873 3.823 3.870 1.00 0.94 H new ATOM 0 HD12 LEU A 61 4.588 3.892 4.342 1.00 0.94 H new ATOM 0 HD13 LEU A 61 3.905 5.148 3.282 1.00 0.94 H new ATOM 0 HD21 LEU A 61 2.238 3.202 1.557 1.00 1.07 H new ATOM 0 HD22 LEU A 61 3.246 4.502 0.879 1.00 1.07 H new ATOM 0 HD23 LEU A 61 3.492 2.820 0.353 1.00 1.07 H new ATOM 934 N HIS A 62 7.090 0.876 3.571 1.00 0.33 N ATOM 935 CA HIS A 62 7.593 -0.483 3.455 1.00 0.38 C ATOM 936 C HIS A 62 6.482 -1.506 3.640 1.00 0.40 C ATOM 937 O HIS A 62 5.663 -1.393 4.557 1.00 0.38 O ATOM 938 CB HIS A 62 8.716 -0.729 4.473 1.00 0.48 C ATOM 939 CG HIS A 62 9.674 -1.805 4.056 1.00 0.63 C ATOM 940 ND1 HIS A 62 9.804 -3.007 4.713 1.00 1.41 N ATOM 941 CD2 HIS A 62 10.558 -1.843 3.035 1.00 1.33 C ATOM 942 CE1 HIS A 62 10.726 -3.736 4.113 1.00 1.50 C ATOM 943 NE2 HIS A 62 11.199 -3.054 3.088 1.00 1.43 N ATOM 0 H HIS A 62 6.711 1.120 4.486 1.00 0.33 H new ATOM 0 HA HIS A 62 7.995 -0.602 2.449 1.00 0.38 H new ATOM 0 HB2 HIS A 62 9.267 0.199 4.625 1.00 0.48 H new ATOM 0 HB3 HIS A 62 8.274 -0.998 5.432 1.00 0.48 H new ATOM 0 HD2 HIS A 62 10.729 -1.062 2.309 1.00 1.33 H new ATOM 0 HE1 HIS A 62 11.040 -4.725 4.411 1.00 1.50 H new ATOM 0 HE2 HIS A 62 11.921 -3.374 2.443 1.00 1.43 H new ATOM 952 N ALA A 63 6.450 -2.484 2.750 1.00 0.54 N ATOM 953 CA ALA A 63 5.612 -3.658 2.923 1.00 0.58 C ATOM 954 C ALA A 63 6.414 -4.711 3.684 1.00 0.68 C ATOM 955 O ALA A 63 7.637 -4.598 3.753 1.00 0.83 O ATOM 956 CB ALA A 63 5.135 -4.189 1.576 1.00 0.72 C ATOM 0 H ALA A 63 7.001 -2.487 1.892 1.00 0.54 H new ATOM 0 HA ALA A 63 4.720 -3.398 3.493 1.00 0.58 H new ATOM 0 HB1 ALA A 63 4.510 -5.068 1.732 1.00 0.72 H new ATOM 0 HB2 ALA A 63 4.557 -3.419 1.065 1.00 0.72 H new ATOM 0 HB3 ALA A 63 5.997 -4.461 0.966 1.00 0.72 H new ATOM 962 N PRO A 64 5.776 -5.735 4.281 1.00 0.81 N ATOM 963 CA PRO A 64 6.483 -6.702 5.117 1.00 1.14 C ATOM 964 C PRO A 64 7.479 -7.503 4.296 1.00 1.27 C ATOM 965 O PRO A 64 7.352 -7.573 3.071 1.00 1.16 O ATOM 966 CB PRO A 64 5.367 -7.600 5.673 1.00 1.29 C ATOM 967 CG PRO A 64 4.112 -6.840 5.417 1.00 1.16 C ATOM 968 CD PRO A 64 4.365 -6.105 4.140 1.00 0.81 C ATOM 0 HA PRO A 64 7.066 -6.229 5.907 1.00 1.14 H new ATOM 0 HB2 PRO A 64 5.352 -8.569 5.174 1.00 1.29 H new ATOM 0 HB3 PRO A 64 5.505 -7.791 6.737 1.00 1.29 H new ATOM 0 HG2 PRO A 64 3.256 -7.509 5.326 1.00 1.16 H new ATOM 0 HG3 PRO A 64 3.893 -6.151 6.233 1.00 1.16 H new ATOM 0 HD2 PRO A 64 4.192 -6.733 3.266 1.00 0.81 H new ATOM 0 HD3 PRO A 64 3.722 -5.231 4.037 1.00 0.81 H new ATOM 976 N ASP A 65 8.451 -8.104 4.971 1.00 1.69 N ATOM 977 CA ASP A 65 9.587 -8.759 4.316 1.00 2.00 C ATOM 978 C ASP A 65 9.143 -9.647 3.167 1.00 1.88 C ATOM 979 O ASP A 65 9.730 -9.632 2.084 1.00 2.05 O ATOM 980 CB ASP A 65 10.336 -9.622 5.333 1.00 2.48 C ATOM 981 CG ASP A 65 11.122 -8.811 6.345 1.00 2.81 C ATOM 982 OD1 ASP A 65 10.611 -7.770 6.812 1.00 2.88 O ATOM 983 OD2 ASP A 65 12.237 -9.233 6.712 1.00 3.12 O ATOM 0 H ASP A 65 8.478 -8.154 5.989 1.00 1.69 H new ATOM 0 HA ASP A 65 10.232 -7.975 3.920 1.00 2.00 H new ATOM 0 HB2 ASP A 65 9.621 -10.253 5.860 1.00 2.48 H new ATOM 0 HB3 ASP A 65 11.018 -10.287 4.803 1.00 2.48 H new ATOM 988 N ALA A 66 8.097 -10.406 3.420 1.00 1.72 N ATOM 989 CA ALA A 66 7.559 -11.337 2.452 1.00 1.72 C ATOM 990 C ALA A 66 6.159 -11.724 2.872 1.00 1.60 C ATOM 991 O ALA A 66 5.714 -12.848 2.647 1.00 2.08 O ATOM 992 CB ALA A 66 8.443 -12.554 2.421 1.00 2.14 C ATOM 0 H ALA A 66 7.594 -10.394 4.307 1.00 1.72 H new ATOM 0 HA ALA A 66 7.523 -10.886 1.460 1.00 1.72 H new ATOM 0 HB1 ALA A 66 8.053 -13.269 1.696 1.00 2.14 H new ATOM 0 HB2 ALA A 66 9.454 -12.262 2.136 1.00 2.14 H new ATOM 0 HB3 ALA A 66 8.463 -13.014 3.409 1.00 2.14 H new ATOM 998 N GLY A 67 5.481 -10.773 3.499 1.00 1.28 N ATOM 999 CA GLY A 67 4.220 -11.053 4.155 1.00 1.56 C ATOM 1000 C GLY A 67 3.128 -11.511 3.215 1.00 1.12 C ATOM 1001 O GLY A 67 2.951 -12.707 2.993 1.00 1.42 O ATOM 0 H GLY A 67 5.786 -9.802 3.565 1.00 1.28 H new ATOM 0 HA2 GLY A 67 4.379 -11.820 4.913 1.00 1.56 H new ATOM 0 HA3 GLY A 67 3.885 -10.155 4.675 1.00 1.56 H new ATOM 1005 N TRP A 68 2.389 -10.563 2.669 1.00 0.81 N ATOM 1006 CA TRP A 68 1.229 -10.868 1.889 1.00 0.98 C ATOM 1007 C TRP A 68 1.554 -10.689 0.431 1.00 1.13 C ATOM 1008 O TRP A 68 1.811 -11.652 -0.290 1.00 1.83 O ATOM 1009 CB TRP A 68 0.102 -9.931 2.308 1.00 1.31 C ATOM 1010 CG TRP A 68 0.437 -9.098 3.512 1.00 1.41 C ATOM 1011 CD1 TRP A 68 0.650 -7.753 3.557 1.00 1.54 C ATOM 1012 CD2 TRP A 68 0.619 -9.575 4.843 1.00 1.97 C ATOM 1013 NE1 TRP A 68 0.942 -7.366 4.840 1.00 1.59 N ATOM 1014 CE2 TRP A 68 0.927 -8.472 5.651 1.00 2.00 C ATOM 1015 CE3 TRP A 68 0.549 -10.837 5.414 1.00 2.82 C ATOM 1016 CZ2 TRP A 68 1.158 -8.597 7.019 1.00 2.75 C ATOM 1017 CZ3 TRP A 68 0.779 -10.968 6.770 1.00 3.69 C ATOM 1018 CH2 TRP A 68 1.078 -9.851 7.562 1.00 3.62 C ATOM 0 H TRP A 68 2.585 -9.566 2.760 1.00 0.81 H new ATOM 0 HA TRP A 68 0.916 -11.899 2.051 1.00 0.98 H new ATOM 0 HB2 TRP A 68 -0.141 -9.271 1.475 1.00 1.31 H new ATOM 0 HB3 TRP A 68 -0.791 -10.520 2.519 1.00 1.31 H new ATOM 0 HD1 TRP A 68 0.597 -7.089 2.707 1.00 1.54 H new ATOM 0 HE1 TRP A 68 1.138 -6.412 5.142 1.00 1.59 H new ATOM 0 HE3 TRP A 68 0.319 -11.702 4.809 1.00 2.82 H new ATOM 0 HZ2 TRP A 68 1.392 -7.737 7.629 1.00 2.75 H new ATOM 0 HZ3 TRP A 68 0.728 -11.945 7.226 1.00 3.69 H new ATOM 0 HH2 TRP A 68 1.248 -9.982 8.620 1.00 3.62 H new ATOM 1029 N GLY A 69 1.575 -9.445 0.008 1.00 0.79 N ATOM 1030 CA GLY A 69 1.954 -9.158 -1.342 1.00 1.13 C ATOM 1031 C GLY A 69 1.594 -7.765 -1.782 1.00 1.01 C ATOM 1032 O GLY A 69 2.425 -6.863 -1.776 1.00 1.78 O ATOM 0 H GLY A 69 1.337 -8.632 0.576 1.00 0.79 H new ATOM 0 HA2 GLY A 69 3.030 -9.297 -1.447 1.00 1.13 H new ATOM 0 HA3 GLY A 69 1.474 -9.876 -2.007 1.00 1.13 H new ATOM 1036 N ASN A 70 0.329 -7.593 -2.101 1.00 0.53 N ATOM 1037 CA ASN A 70 -0.156 -6.393 -2.759 1.00 0.40 C ATOM 1038 C ASN A 70 -1.302 -5.842 -1.998 1.00 0.60 C ATOM 1039 O ASN A 70 -1.245 -4.705 -1.546 1.00 1.48 O ATOM 1040 CB ASN A 70 -0.576 -6.644 -4.216 1.00 0.55 C ATOM 1041 CG ASN A 70 -1.384 -7.912 -4.455 1.00 0.70 C ATOM 1042 OD1 ASN A 70 -1.311 -8.880 -3.700 1.00 1.24 O ATOM 1043 ND2 ASN A 70 -2.163 -7.909 -5.522 1.00 0.75 N ATOM 0 H ASN A 70 -0.397 -8.283 -1.911 1.00 0.53 H new ATOM 0 HA ASN A 70 0.667 -5.679 -2.781 1.00 0.40 H new ATOM 0 HB2 ASN A 70 -1.161 -5.791 -4.559 1.00 0.55 H new ATOM 0 HB3 ASN A 70 0.322 -6.684 -4.833 1.00 0.55 H new ATOM 0 HD21 ASN A 70 -2.730 -8.728 -5.742 1.00 0.75 H new ATOM 0 HD22 ASN A 70 -2.198 -7.088 -6.126 1.00 0.75 H new ATOM 1050 N LEU A 71 -2.316 -6.671 -1.823 1.00 0.45 N ATOM 1051 CA LEU A 71 -3.513 -6.306 -1.120 1.00 0.40 C ATOM 1052 C LEU A 71 -4.132 -5.102 -1.737 1.00 0.36 C ATOM 1053 O LEU A 71 -3.528 -4.414 -2.556 1.00 0.43 O ATOM 1054 CB LEU A 71 -3.214 -6.010 0.337 1.00 0.39 C ATOM 1055 CG LEU A 71 -2.235 -6.948 1.070 1.00 0.50 C ATOM 1056 CD1 LEU A 71 -2.191 -8.338 0.463 1.00 0.90 C ATOM 1057 CD2 LEU A 71 -0.854 -6.321 1.119 1.00 0.84 C ATOM 0 H LEU A 71 -2.322 -7.629 -2.174 1.00 0.45 H new ATOM 0 HA LEU A 71 -4.203 -7.147 -1.183 1.00 0.40 H new ATOM 0 HB2 LEU A 71 -2.818 -4.996 0.399 1.00 0.39 H new ATOM 0 HB3 LEU A 71 -4.158 -6.018 0.882 1.00 0.39 H new ATOM 0 HG LEU A 71 -2.602 -7.076 2.088 1.00 0.50 H new ATOM 0 HD11 LEU A 71 -1.486 -8.956 1.019 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -3.183 -8.787 0.511 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -1.873 -8.271 -0.577 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -0.169 -6.991 1.639 1.00 0.84 H new ATOM 0 HD22 LEU A 71 -0.495 -6.151 0.104 1.00 0.84 H new ATOM 0 HD23 LEU A 71 -0.905 -5.370 1.650 1.00 0.84 H new ATOM 1069 N VAL A 72 -5.339 -4.839 -1.349 1.00 0.36 N ATOM 1070 CA VAL A 72 -5.987 -3.667 -1.854 1.00 0.38 C ATOM 1071 C VAL A 72 -5.790 -2.536 -0.855 1.00 0.31 C ATOM 1072 O VAL A 72 -6.412 -2.522 0.210 1.00 0.31 O ATOM 1073 CB VAL A 72 -7.459 -3.973 -2.093 1.00 0.49 C ATOM 1074 CG1 VAL A 72 -7.989 -4.726 -0.896 1.00 0.73 C ATOM 1075 CG2 VAL A 72 -8.228 -2.700 -2.369 1.00 0.82 C ATOM 0 H VAL A 72 -5.887 -5.403 -0.700 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.557 -3.358 -2.807 1.00 0.38 H new ATOM 0 HB VAL A 72 -7.583 -4.599 -2.976 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -9.044 -4.955 -1.048 1.00 0.73 H new ATOM 0 HG12 VAL A 72 -7.430 -5.654 -0.773 1.00 0.73 H new ATOM 0 HG13 VAL A 72 -7.876 -4.113 -0.002 1.00 0.73 H new ATOM 0 HG21 VAL A 72 -9.278 -2.939 -2.537 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -8.141 -2.030 -1.514 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -7.820 -2.213 -3.255 1.00 0.82 H new ATOM 1085 N TYR A 73 -4.896 -1.605 -1.174 1.00 0.29 N ATOM 1086 CA TYR A 73 -4.664 -0.497 -0.279 1.00 0.26 C ATOM 1087 C TYR A 73 -5.726 0.577 -0.423 1.00 0.27 C ATOM 1088 O TYR A 73 -6.266 0.812 -1.495 1.00 0.30 O ATOM 1089 CB TYR A 73 -3.294 0.111 -0.521 1.00 0.28 C ATOM 1090 CG TYR A 73 -2.144 -0.844 -0.312 1.00 0.28 C ATOM 1091 CD1 TYR A 73 -0.980 -0.701 -1.031 1.00 0.33 C ATOM 1092 CD2 TYR A 73 -2.220 -1.874 0.607 1.00 0.27 C ATOM 1093 CE1 TYR A 73 0.082 -1.549 -0.844 1.00 0.36 C ATOM 1094 CE2 TYR A 73 -1.161 -2.737 0.805 1.00 0.32 C ATOM 1095 CZ TYR A 73 -0.005 -2.566 0.077 1.00 0.36 C ATOM 1096 OH TYR A 73 1.057 -3.421 0.263 1.00 0.42 O ATOM 0 H TYR A 73 -4.336 -1.601 -2.027 1.00 0.29 H new ATOM 0 HA TYR A 73 -4.712 -0.892 0.736 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -3.254 0.492 -1.542 1.00 0.28 H new ATOM 0 HB3 TYR A 73 -3.166 0.966 0.143 1.00 0.28 H new ATOM 0 HD1 TYR A 73 -0.901 0.095 -1.757 1.00 0.33 H new ATOM 0 HD2 TYR A 73 -3.125 -2.006 1.181 1.00 0.27 H new ATOM 0 HE1 TYR A 73 0.986 -1.418 -1.420 1.00 0.36 H new ATOM 0 HE2 TYR A 73 -1.239 -3.539 1.524 1.00 0.32 H new ATOM 0 HH TYR A 73 0.829 -4.081 0.951 1.00 0.42 H new ATOM 1106 N VAL A 74 -6.024 1.171 0.704 1.00 0.26 N ATOM 1107 CA VAL A 74 -6.987 2.227 0.854 1.00 0.26 C ATOM 1108 C VAL A 74 -6.258 3.547 1.134 1.00 0.33 C ATOM 1109 O VAL A 74 -5.158 3.541 1.700 1.00 0.34 O ATOM 1110 CB VAL A 74 -7.916 1.835 2.014 1.00 0.23 C ATOM 1111 CG1 VAL A 74 -8.495 3.045 2.729 1.00 0.30 C ATOM 1112 CG2 VAL A 74 -9.019 0.938 1.501 1.00 0.26 C ATOM 0 H VAL A 74 -5.578 0.917 1.585 1.00 0.26 H new ATOM 0 HA VAL A 74 -7.576 2.368 -0.052 1.00 0.26 H new ATOM 0 HB VAL A 74 -7.319 1.296 2.749 1.00 0.23 H new ATOM 0 HG11 VAL A 74 -9.144 2.713 3.539 1.00 0.30 H new ATOM 0 HG12 VAL A 74 -7.684 3.649 3.137 1.00 0.30 H new ATOM 0 HG13 VAL A 74 -9.073 3.643 2.024 1.00 0.30 H new ATOM 0 HG21 VAL A 74 -9.676 0.662 2.325 1.00 0.26 H new ATOM 0 HG22 VAL A 74 -9.594 1.467 0.740 1.00 0.26 H new ATOM 0 HG23 VAL A 74 -8.584 0.038 1.067 1.00 0.26 H new ATOM 1122 N VAL A 75 -6.889 4.670 0.792 1.00 0.44 N ATOM 1123 CA VAL A 75 -6.192 5.950 0.772 1.00 0.59 C ATOM 1124 C VAL A 75 -6.205 6.580 2.168 1.00 0.59 C ATOM 1125 O VAL A 75 -7.264 6.751 2.783 1.00 0.80 O ATOM 1126 CB VAL A 75 -6.794 6.941 -0.282 1.00 0.95 C ATOM 1127 CG1 VAL A 75 -7.772 7.920 0.347 1.00 1.84 C ATOM 1128 CG2 VAL A 75 -5.693 7.677 -1.008 1.00 1.70 C ATOM 0 H VAL A 75 -7.873 4.717 0.528 1.00 0.44 H new ATOM 0 HA VAL A 75 -5.162 5.754 0.473 1.00 0.59 H new ATOM 0 HB VAL A 75 -7.354 6.346 -1.004 1.00 0.95 H new ATOM 0 HG11 VAL A 75 -8.164 8.587 -0.421 1.00 1.84 H new ATOM 0 HG12 VAL A 75 -8.595 7.370 0.804 1.00 1.84 H new ATOM 0 HG13 VAL A 75 -7.260 8.506 1.110 1.00 1.84 H new ATOM 0 HG21 VAL A 75 -6.131 8.360 -1.736 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -5.099 8.243 -0.290 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -5.054 6.960 -1.523 1.00 1.70 H new ATOM 1138 N ASN A 76 -5.030 6.816 2.726 1.00 0.48 N ATOM 1139 CA ASN A 76 -4.943 7.560 3.968 1.00 0.54 C ATOM 1140 C ASN A 76 -3.891 8.663 3.873 1.00 0.48 C ATOM 1141 O ASN A 76 -2.758 8.420 3.490 1.00 0.45 O ATOM 1142 CB ASN A 76 -4.624 6.593 5.104 1.00 0.67 C ATOM 1143 CG ASN A 76 -4.783 7.188 6.489 1.00 0.97 C ATOM 1144 OD1 ASN A 76 -5.455 8.203 6.680 1.00 1.88 O ATOM 1145 ND2 ASN A 76 -4.202 6.521 7.474 1.00 1.31 N ATOM 0 H ASN A 76 -4.136 6.508 2.345 1.00 0.48 H new ATOM 0 HA ASN A 76 -5.899 8.044 4.166 1.00 0.54 H new ATOM 0 HB2 ASN A 76 -5.274 5.722 5.018 1.00 0.67 H new ATOM 0 HB3 ASN A 76 -3.600 6.239 4.988 1.00 0.67 H new ATOM 0 HD21 ASN A 76 -4.302 6.843 8.437 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -3.654 5.685 7.270 1.00 1.31 H new ATOM 1152 N TYR A 77 -4.269 9.873 4.213 1.00 0.55 N ATOM 1153 CA TYR A 77 -3.315 10.950 4.391 1.00 0.56 C ATOM 1154 C TYR A 77 -3.878 12.018 5.318 1.00 0.68 C ATOM 1155 O TYR A 77 -4.416 13.025 4.822 1.00 1.36 O ATOM 1156 CB TYR A 77 -2.889 11.562 3.064 1.00 0.55 C ATOM 1157 CG TYR A 77 -3.941 11.546 1.980 1.00 0.58 C ATOM 1158 CD1 TYR A 77 -3.990 10.499 1.073 1.00 0.52 C ATOM 1159 CD2 TYR A 77 -4.877 12.564 1.858 1.00 0.70 C ATOM 1160 CE1 TYR A 77 -4.937 10.464 0.075 1.00 0.58 C ATOM 1161 CE2 TYR A 77 -5.832 12.537 0.862 1.00 0.76 C ATOM 1162 CZ TYR A 77 -5.859 11.485 -0.027 1.00 0.70 C ATOM 1163 OH TYR A 77 -6.808 11.456 -1.023 1.00 0.79 O ATOM 1164 OXT TYR A 77 -3.795 11.830 6.548 1.00 1.18 O ATOM 0 H TYR A 77 -5.240 10.141 4.374 1.00 0.55 H new ATOM 0 HA TYR A 77 -2.425 10.520 4.850 1.00 0.56 H new ATOM 0 HB2 TYR A 77 -2.587 12.594 3.239 1.00 0.55 H new ATOM 0 HB3 TYR A 77 -2.010 11.029 2.702 1.00 0.55 H new ATOM 0 HD1 TYR A 77 -3.272 9.696 1.151 1.00 0.52 H new ATOM 0 HD2 TYR A 77 -4.858 13.390 2.553 1.00 0.70 H new ATOM 0 HE1 TYR A 77 -4.958 9.642 -0.625 1.00 0.58 H new ATOM 0 HE2 TYR A 77 -6.554 13.336 0.780 1.00 0.76 H new ATOM 0 HH TYR A 77 -6.490 11.972 -1.793 1.00 0.79 H new TER 1174 TYR A 77