USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 60 HIS : no HD1:sc= -0.171 K(o=-2.8,f=-3.4) USER MOD Set 1.2: A 69 MET CE :methyl -122:sc= -2.68! (180deg=-3) USER MOD Set 2.1: A 32 TYR OH : rot 151:sc= 1.38 USER MOD Set 2.2: A 40 CYS SG : rot 180:sc= 1.12 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0617 (180deg=-0.499) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0925) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.443 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc=-0.00686 (180deg=-0.0864) USER MOD Single : A 21 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.8) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00993 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -46:sc= 0.273 USER MOD Single : A 51 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -118:sc= 0.452 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-0.69) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 74:sc= 1.16 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0251 K(o=-0.025,f=-0.82) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -127:sc= -0.515 (180deg=-1.86) USER MOD Single : A 78 TYR OH : rot 174:sc= -2.46! USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc=-0.00157 (180deg=-0.0994) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0328) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.847 -6.896 6.608 1.00 0.00 N ATOM 2 CA MET A 1 17.682 -8.127 6.648 1.00 0.00 C ATOM 3 C MET A 1 17.248 -9.134 5.581 1.00 0.00 C ATOM 4 O MET A 1 18.089 -9.805 4.970 1.00 0.00 O ATOM 5 CB MET A 1 17.617 -8.777 8.033 1.00 0.00 C ATOM 6 CG MET A 1 18.279 -7.968 9.135 1.00 0.00 C ATOM 7 SD MET A 1 20.058 -7.772 8.887 1.00 0.00 S ATOM 8 CE MET A 1 20.609 -9.471 9.078 1.00 0.00 C ATOM 0 H1 MET A 1 17.240 -6.188 7.261 1.00 0.00 H new ATOM 0 H2 MET A 1 16.842 -6.511 5.642 1.00 0.00 H new ATOM 0 H3 MET A 1 15.874 -7.127 6.893 1.00 0.00 H new ATOM 0 HA MET A 1 18.710 -7.831 6.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.572 -8.940 8.296 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.090 -9.758 7.984 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.813 -6.984 9.187 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.102 -8.455 10.094 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.678 -9.485 9.290 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.069 -9.938 9.902 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.414 -10.022 8.158 1.00 0.00 H new ATOM 17 N GLY A 2 15.947 -9.238 5.347 1.00 0.00 N ATOM 18 CA GLY A 2 15.462 -10.188 4.370 1.00 0.00 C ATOM 19 C GLY A 2 14.344 -9.647 3.506 1.00 0.00 C ATOM 20 O GLY A 2 14.014 -8.460 3.570 1.00 0.00 O ATOM 0 H GLY A 2 15.226 -8.687 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.290 -10.494 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 2 15.112 -11.082 4.887 1.00 0.00 H new ATOM 24 N ARG A 3 13.789 -10.526 2.682 1.00 0.00 N ATOM 25 CA ARG A 3 12.679 -10.203 1.792 1.00 0.00 C ATOM 26 C ARG A 3 12.150 -11.486 1.154 1.00 0.00 C ATOM 27 O ARG A 3 12.870 -12.144 0.382 1.00 0.00 O ATOM 28 CB ARG A 3 13.123 -9.224 0.694 1.00 0.00 C ATOM 29 CG ARG A 3 12.057 -8.975 -0.364 1.00 0.00 C ATOM 30 CD ARG A 3 12.526 -7.994 -1.426 1.00 0.00 C ATOM 31 NE ARG A 3 13.711 -8.476 -2.148 1.00 0.00 N ATOM 32 CZ ARG A 3 14.182 -7.933 -3.275 1.00 0.00 C ATOM 33 NH1 ARG A 3 13.525 -6.939 -3.864 1.00 0.00 N ATOM 34 NH2 ARG A 3 15.303 -8.395 -3.818 1.00 0.00 N ATOM 0 H ARG A 3 14.100 -11.495 2.611 1.00 0.00 H new ATOM 0 HA ARG A 3 11.891 -9.728 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.396 -8.274 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.019 -9.614 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.788 -9.920 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.156 -8.589 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.718 -7.817 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.754 -7.037 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 3 14.208 -9.279 -1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.658 -6.588 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.887 -6.527 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.805 -9.165 -3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.662 -7.980 -4.678 1.00 0.00 H new ATOM 48 N LEU A 4 10.921 -11.851 1.478 1.00 0.00 N ATOM 49 CA LEU A 4 10.320 -13.065 0.929 1.00 0.00 C ATOM 50 C LEU A 4 9.596 -12.780 -0.391 1.00 0.00 C ATOM 51 O LEU A 4 9.073 -11.689 -0.604 1.00 0.00 O ATOM 52 CB LEU A 4 9.357 -13.726 1.945 1.00 0.00 C ATOM 53 CG LEU A 4 7.897 -13.219 1.965 1.00 0.00 C ATOM 54 CD1 LEU A 4 7.057 -14.071 2.902 1.00 0.00 C ATOM 55 CD2 LEU A 4 7.821 -11.756 2.383 1.00 0.00 C ATOM 0 H LEU A 4 10.318 -11.330 2.115 1.00 0.00 H new ATOM 0 HA LEU A 4 11.131 -13.765 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.340 -14.798 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.775 -13.593 2.943 1.00 0.00 H new ATOM 0 HG LEU A 4 7.503 -13.302 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.031 -13.703 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.070 -15.107 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.467 -14.015 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.780 -11.432 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.240 -11.641 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.388 -11.147 1.679 1.00 0.00 H new ATOM 67 N TYR A 5 9.593 -13.761 -1.280 1.00 0.00 N ATOM 68 CA TYR A 5 8.913 -13.629 -2.558 1.00 0.00 C ATOM 69 C TYR A 5 8.279 -14.962 -2.948 1.00 0.00 C ATOM 70 O TYR A 5 8.931 -16.002 -2.873 1.00 0.00 O ATOM 71 CB TYR A 5 9.895 -13.166 -3.644 1.00 0.00 C ATOM 72 CG TYR A 5 9.237 -12.825 -4.964 1.00 0.00 C ATOM 73 CD1 TYR A 5 8.574 -11.615 -5.134 1.00 0.00 C ATOM 74 CD2 TYR A 5 9.280 -13.704 -6.041 1.00 0.00 C ATOM 75 CE1 TYR A 5 7.975 -11.290 -6.333 1.00 0.00 C ATOM 76 CE2 TYR A 5 8.681 -13.385 -7.246 1.00 0.00 C ATOM 77 CZ TYR A 5 8.029 -12.176 -7.385 1.00 0.00 C ATOM 78 OH TYR A 5 7.434 -11.848 -8.585 1.00 0.00 O ATOM 0 H TYR A 5 10.055 -14.659 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 5 8.129 -12.878 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.435 -12.291 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 5 10.634 -13.950 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.527 -10.916 -4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.789 -14.650 -5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.466 -10.344 -6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.723 -14.078 -8.074 1.00 0.00 H new ATOM 0 HH TYR A 5 7.563 -12.579 -9.225 1.00 0.00 H new ATOM 88 N SER A 6 7.013 -14.926 -3.346 1.00 0.00 N ATOM 89 CA SER A 6 6.294 -16.134 -3.735 1.00 0.00 C ATOM 90 C SER A 6 4.990 -15.755 -4.459 1.00 0.00 C ATOM 91 O SER A 6 4.870 -14.645 -4.997 1.00 0.00 O ATOM 92 CB SER A 6 5.994 -16.992 -2.488 1.00 0.00 C ATOM 93 OG SER A 6 5.528 -18.291 -2.842 1.00 0.00 O ATOM 0 H SER A 6 6.461 -14.070 -3.408 1.00 0.00 H new ATOM 0 HA SER A 6 6.913 -16.718 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.896 -17.081 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.245 -16.492 -1.874 1.00 0.00 H new ATOM 0 HG SER A 6 5.350 -18.807 -2.028 1.00 0.00 H new ATOM 99 N GLY A 7 4.037 -16.679 -4.486 1.00 0.00 N ATOM 100 CA GLY A 7 2.755 -16.426 -5.114 1.00 0.00 C ATOM 101 C GLY A 7 1.795 -15.719 -4.175 1.00 0.00 C ATOM 102 O GLY A 7 2.226 -15.053 -3.234 1.00 0.00 O ATOM 0 H GLY A 7 4.132 -17.609 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.902 -15.819 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.317 -17.370 -5.438 1.00 0.00 H new ATOM 106 N ASN A 8 0.486 -15.854 -4.447 1.00 0.00 N ATOM 107 CA ASN A 8 -0.588 -15.233 -3.625 1.00 0.00 C ATOM 108 C ASN A 8 -0.638 -13.709 -3.800 1.00 0.00 C ATOM 109 O ASN A 8 -1.574 -13.050 -3.353 1.00 0.00 O ATOM 110 CB ASN A 8 -0.427 -15.588 -2.128 1.00 0.00 C ATOM 111 CG ASN A 8 -0.590 -17.072 -1.843 1.00 0.00 C ATOM 112 OD1 ASN A 8 0.380 -17.838 -1.876 1.00 0.00 O ATOM 113 ND2 ASN A 8 -1.808 -17.488 -1.553 1.00 0.00 N ATOM 0 H ASN A 8 0.135 -16.393 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.531 -15.645 -3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.557 -15.266 -1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.162 -15.030 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.975 -18.473 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.583 -16.825 -1.536 1.00 0.00 H new ATOM 120 N LEU A 9 0.369 -13.169 -4.460 1.00 0.00 N ATOM 121 CA LEU A 9 0.500 -11.734 -4.693 1.00 0.00 C ATOM 122 C LEU A 9 -0.335 -11.245 -5.884 1.00 0.00 C ATOM 123 O LEU A 9 -0.185 -10.104 -6.307 1.00 0.00 O ATOM 124 CB LEU A 9 1.973 -11.377 -4.916 1.00 0.00 C ATOM 125 CG LEU A 9 2.935 -11.750 -3.783 1.00 0.00 C ATOM 126 CD1 LEU A 9 4.361 -11.369 -4.147 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.520 -11.087 -2.478 1.00 0.00 C ATOM 0 H LEU A 9 1.132 -13.718 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 9 0.118 -11.231 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.311 -11.868 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.044 -10.303 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 9 2.891 -12.830 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.030 -11.641 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.659 -11.898 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.418 -10.294 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.218 -11.367 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.528 -10.004 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.516 -11.414 -2.207 1.00 0.00 H new ATOM 139 N ALA A 10 -1.209 -12.097 -6.408 1.00 0.00 N ATOM 140 CA ALA A 10 -1.989 -11.764 -7.609 1.00 0.00 C ATOM 141 C ALA A 10 -2.759 -10.441 -7.465 1.00 0.00 C ATOM 142 O ALA A 10 -2.705 -9.591 -8.352 1.00 0.00 O ATOM 143 CB ALA A 10 -2.937 -12.902 -7.956 1.00 0.00 C ATOM 0 H ALA A 10 -1.400 -13.023 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.279 -11.628 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.508 -12.641 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.363 -13.809 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.621 -13.072 -7.124 1.00 0.00 H new ATOM 149 N ALA A 11 -3.470 -10.267 -6.361 1.00 0.00 N ATOM 150 CA ALA A 11 -4.196 -9.014 -6.120 1.00 0.00 C ATOM 151 C ALA A 11 -3.250 -7.954 -5.549 1.00 0.00 C ATOM 152 O ALA A 11 -3.435 -6.754 -5.744 1.00 0.00 O ATOM 153 CB ALA A 11 -5.364 -9.252 -5.175 1.00 0.00 C ATOM 0 H ALA A 11 -3.564 -10.964 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.590 -8.651 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.892 -8.314 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.047 -9.979 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.991 -9.635 -4.225 1.00 0.00 H new ATOM 159 N PHE A 12 -2.241 -8.434 -4.845 1.00 0.00 N ATOM 160 CA PHE A 12 -1.229 -7.574 -4.234 1.00 0.00 C ATOM 161 C PHE A 12 -0.525 -6.721 -5.313 1.00 0.00 C ATOM 162 O PHE A 12 -0.366 -5.506 -5.155 1.00 0.00 O ATOM 163 CB PHE A 12 -0.208 -8.426 -3.464 1.00 0.00 C ATOM 164 CG PHE A 12 0.750 -7.634 -2.611 1.00 0.00 C ATOM 165 CD1 PHE A 12 1.926 -7.126 -3.142 1.00 0.00 C ATOM 166 CD2 PHE A 12 0.467 -7.400 -1.273 1.00 0.00 C ATOM 167 CE1 PHE A 12 2.800 -6.400 -2.354 1.00 0.00 C ATOM 168 CE2 PHE A 12 1.337 -6.676 -0.482 1.00 0.00 C ATOM 169 CZ PHE A 12 2.504 -6.174 -1.023 1.00 0.00 C ATOM 0 H PHE A 12 -2.095 -9.429 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.718 -6.899 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.746 -9.128 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.365 -9.018 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.162 -7.299 -4.182 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.445 -7.789 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.713 -6.010 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.105 -6.503 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.185 -5.605 -0.407 1.00 0.00 H new ATOM 179 N LYS A 13 -0.122 -7.369 -6.409 1.00 0.00 N ATOM 180 CA LYS A 13 0.536 -6.700 -7.542 1.00 0.00 C ATOM 181 C LYS A 13 -0.343 -5.617 -8.173 1.00 0.00 C ATOM 182 O LYS A 13 0.165 -4.588 -8.632 1.00 0.00 O ATOM 183 CB LYS A 13 0.919 -7.738 -8.599 1.00 0.00 C ATOM 184 CG LYS A 13 1.982 -8.719 -8.132 1.00 0.00 C ATOM 185 CD LYS A 13 2.271 -9.775 -9.184 1.00 0.00 C ATOM 186 CE LYS A 13 3.316 -10.768 -8.694 1.00 0.00 C ATOM 187 NZ LYS A 13 3.551 -11.855 -9.675 1.00 0.00 N ATOM 0 H LYS A 13 -0.241 -8.374 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 13 1.429 -6.207 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.027 -8.293 -8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.279 -7.222 -9.489 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.899 -8.178 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.653 -9.202 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.352 -10.304 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.621 -9.295 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.252 -10.244 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.991 -11.198 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.269 -12.509 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.664 -12.372 -9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.886 -11.447 -10.571 1.00 0.00 H new ATOM 201 N ALA A 14 -1.651 -5.848 -8.203 1.00 0.00 N ATOM 202 CA ALA A 14 -2.582 -4.886 -8.793 1.00 0.00 C ATOM 203 C ALA A 14 -2.490 -3.535 -8.084 1.00 0.00 C ATOM 204 O ALA A 14 -2.537 -2.480 -8.720 1.00 0.00 O ATOM 205 CB ALA A 14 -4.006 -5.422 -8.741 1.00 0.00 C ATOM 0 H ALA A 14 -2.092 -6.688 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.305 -4.740 -9.837 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.685 -4.694 -9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.063 -6.357 -9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.290 -5.599 -7.704 1.00 0.00 H new ATOM 211 N ALA A 15 -2.352 -3.575 -6.767 1.00 0.00 N ATOM 212 CA ALA A 15 -2.207 -2.364 -5.972 1.00 0.00 C ATOM 213 C ALA A 15 -0.845 -1.707 -6.210 1.00 0.00 C ATOM 214 O ALA A 15 -0.702 -0.490 -6.088 1.00 0.00 O ATOM 215 CB ALA A 15 -2.394 -2.675 -4.495 1.00 0.00 C ATOM 0 H ALA A 15 -2.337 -4.438 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.979 -1.661 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.283 -1.760 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.389 -3.089 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.644 -3.400 -4.178 1.00 0.00 H new ATOM 221 N THR A 16 0.147 -2.524 -6.563 1.00 0.00 N ATOM 222 CA THR A 16 1.511 -2.055 -6.775 1.00 0.00 C ATOM 223 C THR A 16 1.612 -1.134 -8.005 1.00 0.00 C ATOM 224 O THR A 16 2.267 -0.095 -7.964 1.00 0.00 O ATOM 225 CB THR A 16 2.472 -3.250 -6.946 1.00 0.00 C ATOM 226 OG1 THR A 16 2.256 -4.194 -5.882 1.00 0.00 O ATOM 227 CG2 THR A 16 3.925 -2.793 -6.921 1.00 0.00 C ATOM 0 H THR A 16 0.026 -3.526 -6.709 1.00 0.00 H new ATOM 0 HA THR A 16 1.796 -1.481 -5.894 1.00 0.00 H new ATOM 0 HB THR A 16 2.271 -3.716 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.865 -4.954 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.580 -3.656 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.099 -2.087 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.138 -2.309 -5.968 1.00 0.00 H new ATOM 235 N ASN A 17 0.939 -1.525 -9.090 1.00 0.00 N ATOM 236 CA ASN A 17 0.977 -0.769 -10.355 1.00 0.00 C ATOM 237 C ASN A 17 0.445 0.653 -10.160 1.00 0.00 C ATOM 238 O ASN A 17 0.870 1.594 -10.831 1.00 0.00 O ATOM 239 CB ASN A 17 0.165 -1.496 -11.438 1.00 0.00 C ATOM 240 CG ASN A 17 0.244 -0.815 -12.797 1.00 0.00 C ATOM 241 OD1 ASN A 17 1.249 -0.190 -13.138 1.00 0.00 O ATOM 242 ND2 ASN A 17 -0.814 -0.928 -13.577 1.00 0.00 N ATOM 0 H ASN A 17 0.358 -2.363 -9.123 1.00 0.00 H new ATOM 0 HA ASN A 17 2.016 -0.703 -10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.526 -2.520 -11.529 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.878 -1.553 -11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.818 -0.489 -14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.628 -1.454 -13.259 1.00 0.00 H new ATOM 249 N LYS A 18 -0.471 0.787 -9.228 1.00 0.00 N ATOM 250 CA LYS A 18 -1.091 2.062 -8.897 1.00 0.00 C ATOM 251 C LYS A 18 -0.075 3.080 -8.365 1.00 0.00 C ATOM 252 O LYS A 18 -0.218 4.277 -8.600 1.00 0.00 O ATOM 253 CB LYS A 18 -2.222 1.872 -7.893 1.00 0.00 C ATOM 254 CG LYS A 18 -3.444 1.177 -8.459 1.00 0.00 C ATOM 255 CD LYS A 18 -4.519 1.010 -7.400 1.00 0.00 C ATOM 256 CE LYS A 18 -5.800 0.445 -7.989 1.00 0.00 C ATOM 257 NZ LYS A 18 -5.599 -0.897 -8.588 1.00 0.00 N ATOM 0 H LYS A 18 -0.815 0.007 -8.668 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.503 2.463 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.849 1.295 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.518 2.848 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.840 1.754 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.161 0.200 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.156 0.348 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.726 1.974 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.559 0.383 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.179 1.127 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.520 -1.300 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.000 -0.813 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.136 -1.520 -7.896 1.00 0.00 H new ATOM 271 N LEU A 19 0.939 2.591 -7.644 1.00 0.00 N ATOM 272 CA LEU A 19 1.913 3.461 -6.956 1.00 0.00 C ATOM 273 C LEU A 19 2.538 4.487 -7.920 1.00 0.00 C ATOM 274 O LEU A 19 2.568 5.690 -7.630 1.00 0.00 O ATOM 275 CB LEU A 19 3.048 2.601 -6.366 1.00 0.00 C ATOM 276 CG LEU A 19 2.669 1.580 -5.283 1.00 0.00 C ATOM 277 CD1 LEU A 19 3.861 0.693 -4.960 1.00 0.00 C ATOM 278 CD2 LEU A 19 2.186 2.273 -4.024 1.00 0.00 C ATOM 0 H LEU A 19 1.112 1.594 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 19 1.378 3.994 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.524 2.062 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.798 3.273 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 19 1.856 0.965 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.581 -0.027 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.173 0.161 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.685 1.308 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.925 1.526 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.977 2.915 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.309 2.877 -4.255 1.00 0.00 H new ATOM 290 N PHE A 20 2.995 4.013 -9.067 1.00 0.00 N ATOM 291 CA PHE A 20 3.643 4.876 -10.055 1.00 0.00 C ATOM 292 C PHE A 20 2.656 5.881 -10.645 1.00 0.00 C ATOM 293 O PHE A 20 3.027 7.003 -10.999 1.00 0.00 O ATOM 294 CB PHE A 20 4.282 4.029 -11.168 1.00 0.00 C ATOM 295 CG PHE A 20 4.920 4.840 -12.268 1.00 0.00 C ATOM 296 CD1 PHE A 20 6.102 5.530 -12.045 1.00 0.00 C ATOM 297 CD2 PHE A 20 4.335 4.906 -13.523 1.00 0.00 C ATOM 298 CE1 PHE A 20 6.686 6.273 -13.055 1.00 0.00 C ATOM 299 CE2 PHE A 20 4.916 5.646 -14.534 1.00 0.00 C ATOM 300 CZ PHE A 20 6.092 6.330 -14.300 1.00 0.00 C ATOM 0 H PHE A 20 2.931 3.033 -9.343 1.00 0.00 H new ATOM 0 HA PHE A 20 4.428 5.438 -9.548 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.036 3.378 -10.727 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.519 3.384 -11.603 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.571 5.487 -11.073 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.415 4.373 -13.712 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.606 6.808 -12.870 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.450 5.690 -15.508 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.547 6.909 -15.090 1.00 0.00 H new ATOM 310 N GLN A 21 1.401 5.479 -10.714 1.00 0.00 N ATOM 311 CA GLN A 21 0.354 6.279 -11.336 1.00 0.00 C ATOM 312 C GLN A 21 0.120 7.605 -10.614 1.00 0.00 C ATOM 313 O GLN A 21 -0.228 8.602 -11.246 1.00 0.00 O ATOM 314 CB GLN A 21 -0.949 5.487 -11.393 1.00 0.00 C ATOM 315 CG GLN A 21 -0.865 4.242 -12.250 1.00 0.00 C ATOM 316 CD GLN A 21 -2.158 3.461 -12.267 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.247 4.034 -12.200 1.00 0.00 O ATOM 318 NE2 GLN A 21 -2.047 2.153 -12.356 1.00 0.00 N ATOM 0 H GLN A 21 1.075 4.588 -10.341 1.00 0.00 H new ATOM 0 HA GLN A 21 0.692 6.513 -12.345 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.236 5.202 -10.381 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.739 6.131 -11.779 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.602 4.524 -13.269 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.064 3.603 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.124 1.722 -12.409 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.884 1.570 -12.372 1.00 0.00 H new ATOM 327 N LEU A 22 0.295 7.635 -9.300 1.00 0.00 N ATOM 328 CA LEU A 22 0.052 8.861 -8.561 1.00 0.00 C ATOM 329 C LEU A 22 1.367 9.447 -8.019 1.00 0.00 C ATOM 330 O LEU A 22 1.363 10.434 -7.278 1.00 0.00 O ATOM 331 CB LEU A 22 -0.962 8.606 -7.435 1.00 0.00 C ATOM 332 CG LEU A 22 -1.454 9.840 -6.669 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.130 10.825 -7.614 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.414 9.425 -5.569 1.00 0.00 C ATOM 0 H LEU A 22 0.598 6.841 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.374 9.601 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.828 8.102 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.513 7.917 -6.720 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.592 10.332 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.472 11.693 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.419 11.144 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.983 10.344 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.757 10.310 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.270 8.913 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.906 8.754 -4.876 1.00 0.00 H new ATOM 346 N ASP A 23 2.490 8.822 -8.408 1.00 0.00 N ATOM 347 CA ASP A 23 3.847 9.283 -8.026 1.00 0.00 C ATOM 348 C ASP A 23 4.145 9.035 -6.544 1.00 0.00 C ATOM 349 O ASP A 23 4.746 9.871 -5.870 1.00 0.00 O ATOM 350 CB ASP A 23 4.053 10.773 -8.368 1.00 0.00 C ATOM 351 CG ASP A 23 4.035 11.053 -9.857 1.00 0.00 C ATOM 352 OD1 ASP A 23 5.110 10.988 -10.492 1.00 0.00 O ATOM 353 OD2 ASP A 23 2.944 11.342 -10.401 1.00 0.00 O ATOM 0 H ASP A 23 2.490 7.987 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 23 4.551 8.691 -8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.272 11.361 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.005 11.106 -7.954 1.00 0.00 H new ATOM 358 N LEU A 24 3.755 7.872 -6.056 1.00 0.00 N ATOM 359 CA LEU A 24 4.017 7.493 -4.672 1.00 0.00 C ATOM 360 C LEU A 24 4.506 6.049 -4.611 1.00 0.00 C ATOM 361 O LEU A 24 4.429 5.334 -5.602 1.00 0.00 O ATOM 362 CB LEU A 24 2.771 7.724 -3.785 1.00 0.00 C ATOM 363 CG LEU A 24 1.443 7.112 -4.267 1.00 0.00 C ATOM 364 CD1 LEU A 24 1.396 5.621 -4.004 1.00 0.00 C ATOM 365 CD2 LEU A 24 0.272 7.802 -3.599 1.00 0.00 C ATOM 0 H LEU A 24 3.253 7.168 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 24 4.806 8.131 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.985 7.329 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.628 8.799 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 24 1.375 7.264 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.446 5.219 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.214 5.132 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.494 5.437 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.660 7.359 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.347 7.682 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.285 8.863 -3.848 1.00 0.00 H new ATOM 377 N ALA A 25 5.041 5.632 -3.479 1.00 0.00 N ATOM 378 CA ALA A 25 5.540 4.268 -3.348 1.00 0.00 C ATOM 379 C ALA A 25 5.537 3.814 -1.900 1.00 0.00 C ATOM 380 O ALA A 25 5.658 4.631 -0.984 1.00 0.00 O ATOM 381 CB ALA A 25 6.945 4.164 -3.928 1.00 0.00 C ATOM 0 H ALA A 25 5.143 6.208 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 25 4.872 3.612 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.307 3.141 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.924 4.436 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.611 4.840 -3.392 1.00 0.00 H new ATOM 387 N VAL A 26 5.390 2.510 -1.695 1.00 0.00 N ATOM 388 CA VAL A 26 5.423 1.925 -0.369 1.00 0.00 C ATOM 389 C VAL A 26 6.529 0.880 -0.298 1.00 0.00 C ATOM 390 O VAL A 26 6.737 0.115 -1.248 1.00 0.00 O ATOM 391 CB VAL A 26 4.058 1.251 -0.006 1.00 0.00 C ATOM 392 CG1 VAL A 26 3.611 0.291 -1.101 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.145 0.521 1.336 1.00 0.00 C ATOM 0 H VAL A 26 5.245 1.834 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 26 5.613 2.726 0.345 1.00 0.00 H new ATOM 0 HB VAL A 26 3.314 2.043 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.660 -0.162 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.492 0.837 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.361 -0.489 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.183 0.062 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.912 -0.252 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.402 1.232 2.121 1.00 0.00 H new ATOM 403 N ILE A 27 7.253 0.869 0.800 1.00 0.00 N ATOM 404 CA ILE A 27 8.305 -0.098 0.997 1.00 0.00 C ATOM 405 C ILE A 27 7.978 -0.999 2.177 1.00 0.00 C ATOM 406 O ILE A 27 7.441 -0.545 3.193 1.00 0.00 O ATOM 407 CB ILE A 27 9.690 0.574 1.199 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.679 1.505 2.419 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.098 1.336 -0.057 1.00 0.00 C ATOM 410 CD1 ILE A 27 11.033 2.103 2.746 1.00 0.00 C ATOM 0 H ILE A 27 7.130 1.524 1.572 1.00 0.00 H new ATOM 0 HA ILE A 27 8.367 -0.700 0.090 1.00 0.00 H new ATOM 0 HB ILE A 27 10.425 -0.210 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.969 2.313 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.319 0.949 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.071 1.802 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.158 0.645 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.357 2.106 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.944 2.749 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.743 1.303 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.387 2.688 1.897 1.00 0.00 H new ATOM 422 N TYR A 28 8.278 -2.267 2.027 1.00 0.00 N ATOM 423 CA TYR A 28 8.006 -3.248 3.058 1.00 0.00 C ATOM 424 C TYR A 28 9.296 -3.901 3.507 1.00 0.00 C ATOM 425 O TYR A 28 10.286 -3.913 2.768 1.00 0.00 O ATOM 426 CB TYR A 28 7.032 -4.319 2.532 1.00 0.00 C ATOM 427 CG TYR A 28 7.562 -5.101 1.340 1.00 0.00 C ATOM 428 CD1 TYR A 28 7.435 -4.605 0.046 1.00 0.00 C ATOM 429 CD2 TYR A 28 8.199 -6.327 1.511 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.922 -5.305 -1.039 1.00 0.00 C ATOM 431 CE2 TYR A 28 8.693 -7.031 0.429 1.00 0.00 C ATOM 432 CZ TYR A 28 8.552 -6.516 -0.844 1.00 0.00 C ATOM 433 OH TYR A 28 9.045 -7.210 -1.925 1.00 0.00 O ATOM 0 H TYR A 28 8.717 -2.650 1.190 1.00 0.00 H new ATOM 0 HA TYR A 28 7.548 -2.743 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.803 -5.016 3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.095 -3.838 2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.946 -3.655 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.309 -6.735 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.810 -4.906 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.187 -7.980 0.579 1.00 0.00 H new ATOM 0 HH TYR A 28 9.460 -8.043 -1.617 1.00 0.00 H new ATOM 443 N ASP A 29 9.293 -4.425 4.709 1.00 0.00 N ATOM 444 CA ASP A 29 10.463 -5.088 5.250 1.00 0.00 C ATOM 445 C ASP A 29 10.026 -6.305 6.050 1.00 0.00 C ATOM 446 O ASP A 29 9.048 -6.233 6.813 1.00 0.00 O ATOM 447 CB ASP A 29 11.257 -4.114 6.127 1.00 0.00 C ATOM 448 CG ASP A 29 12.668 -4.587 6.409 1.00 0.00 C ATOM 449 OD1 ASP A 29 13.443 -4.774 5.437 1.00 0.00 O ATOM 450 OD2 ASP A 29 13.020 -4.743 7.594 1.00 0.00 O ATOM 0 H ASP A 29 8.490 -4.407 5.337 1.00 0.00 H new ATOM 0 HA ASP A 29 11.110 -5.416 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.297 -3.142 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.731 -3.973 7.071 1.00 0.00 H new ATOM 455 N ASP A 30 10.726 -7.415 5.865 1.00 0.00 N ATOM 456 CA ASP A 30 10.390 -8.671 6.537 1.00 0.00 C ATOM 457 C ASP A 30 11.650 -9.485 6.777 1.00 0.00 C ATOM 458 O ASP A 30 12.540 -9.512 5.926 1.00 0.00 O ATOM 459 CB ASP A 30 9.391 -9.503 5.700 1.00 0.00 C ATOM 460 CG ASP A 30 10.013 -10.132 4.450 1.00 0.00 C ATOM 461 OD1 ASP A 30 10.138 -9.433 3.421 1.00 0.00 O ATOM 462 OD2 ASP A 30 10.362 -11.340 4.493 1.00 0.00 O ATOM 0 H ASP A 30 11.538 -7.475 5.250 1.00 0.00 H new ATOM 0 HA ASP A 30 9.923 -8.427 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.975 -10.293 6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.561 -8.864 5.400 1.00 0.00 H new ATOM 467 N TRP A 31 11.766 -10.062 7.980 1.00 0.00 N ATOM 468 CA TRP A 31 12.860 -10.961 8.358 1.00 0.00 C ATOM 469 C TRP A 31 13.986 -10.190 9.009 1.00 0.00 C ATOM 470 O TRP A 31 14.707 -9.433 8.362 1.00 0.00 O ATOM 471 CB TRP A 31 13.372 -11.859 7.220 1.00 0.00 C ATOM 472 CG TRP A 31 14.528 -12.721 7.640 1.00 0.00 C ATOM 473 CD1 TRP A 31 15.811 -12.647 7.189 1.00 0.00 C ATOM 474 CD2 TRP A 31 14.510 -13.770 8.623 1.00 0.00 C ATOM 475 NE1 TRP A 31 16.588 -13.587 7.818 1.00 0.00 N ATOM 476 CE2 TRP A 31 15.814 -14.288 8.703 1.00 0.00 C ATOM 477 CE3 TRP A 31 13.517 -14.321 9.441 1.00 0.00 C ATOM 478 CZ2 TRP A 31 16.155 -15.330 9.563 1.00 0.00 C ATOM 479 CZ3 TRP A 31 13.856 -15.353 10.296 1.00 0.00 C ATOM 480 CH2 TRP A 31 15.164 -15.848 10.351 1.00 0.00 C ATOM 0 H TRP A 31 11.090 -9.914 8.729 1.00 0.00 H new ATOM 0 HA TRP A 31 12.435 -11.652 9.086 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.559 -12.494 6.869 1.00 0.00 H new ATOM 0 HB3 TRP A 31 13.675 -11.236 6.379 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.165 -11.950 6.444 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.583 -13.739 7.653 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.505 -13.947 9.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.163 -15.714 9.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.098 -15.785 10.933 1.00 0.00 H new ATOM 0 HH2 TRP A 31 15.396 -16.656 11.030 1.00 0.00 H new ATOM 491 N TYR A 32 14.113 -10.387 10.301 1.00 0.00 N ATOM 492 CA TYR A 32 15.093 -9.704 11.116 1.00 0.00 C ATOM 493 C TYR A 32 15.512 -10.603 12.270 1.00 0.00 C ATOM 494 O TYR A 32 15.270 -11.809 12.231 1.00 0.00 O ATOM 495 CB TYR A 32 14.499 -8.380 11.637 1.00 0.00 C ATOM 496 CG TYR A 32 13.089 -8.512 12.193 1.00 0.00 C ATOM 497 CD1 TYR A 32 12.861 -8.917 13.502 1.00 0.00 C ATOM 498 CD2 TYR A 32 11.983 -8.234 11.393 1.00 0.00 C ATOM 499 CE1 TYR A 32 11.577 -9.044 13.997 1.00 0.00 C ATOM 500 CE2 TYR A 32 10.699 -8.356 11.881 1.00 0.00 C ATOM 501 CZ TYR A 32 10.499 -8.762 13.182 1.00 0.00 C ATOM 502 OH TYR A 32 9.217 -8.890 13.669 1.00 0.00 O ATOM 0 H TYR A 32 13.528 -11.038 10.825 1.00 0.00 H new ATOM 0 HA TYR A 32 15.976 -9.475 10.519 1.00 0.00 H new ATOM 0 HB2 TYR A 32 15.150 -7.983 12.416 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.492 -7.652 10.826 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.701 -9.136 14.144 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.134 -7.917 10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.418 -9.362 15.017 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.854 -8.134 11.246 1.00 0.00 H new ATOM 0 HH TYR A 32 8.627 -8.259 13.206 1.00 0.00 H new ATOM 512 N ASP A 33 16.143 -10.024 13.284 1.00 0.00 N ATOM 513 CA ASP A 33 16.565 -10.787 14.457 1.00 0.00 C ATOM 514 C ASP A 33 15.361 -11.401 15.153 1.00 0.00 C ATOM 515 O ASP A 33 14.508 -10.684 15.693 1.00 0.00 O ATOM 516 CB ASP A 33 17.336 -9.901 15.436 1.00 0.00 C ATOM 517 CG ASP A 33 18.729 -9.564 14.956 1.00 0.00 C ATOM 518 OD1 ASP A 33 18.866 -8.759 14.012 1.00 0.00 O ATOM 519 OD2 ASP A 33 19.701 -10.089 15.535 1.00 0.00 O ATOM 0 H ASP A 33 16.374 -9.031 13.320 1.00 0.00 H new ATOM 0 HA ASP A 33 17.225 -11.586 14.119 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.780 -8.978 15.597 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.402 -10.406 16.400 1.00 0.00 H new ATOM 524 N ALA A 34 15.329 -12.727 15.173 1.00 0.00 N ATOM 525 CA ALA A 34 14.217 -13.492 15.721 1.00 0.00 C ATOM 526 C ALA A 34 14.490 -14.983 15.590 1.00 0.00 C ATOM 527 O ALA A 34 14.015 -15.636 14.659 1.00 0.00 O ATOM 528 CB ALA A 34 12.901 -13.136 15.026 1.00 0.00 C ATOM 0 H ALA A 34 16.083 -13.308 14.805 1.00 0.00 H new ATOM 0 HA ALA A 34 14.122 -13.236 16.776 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.091 -13.724 15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.692 -12.075 15.163 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.981 -13.355 13.961 1.00 0.00 H new ATOM 534 N TYR A 35 15.289 -15.507 16.506 1.00 0.00 N ATOM 535 CA TYR A 35 15.639 -16.923 16.509 1.00 0.00 C ATOM 536 C TYR A 35 14.390 -17.797 16.636 1.00 0.00 C ATOM 537 O TYR A 35 14.296 -18.852 16.012 1.00 0.00 O ATOM 538 CB TYR A 35 16.632 -17.226 17.639 1.00 0.00 C ATOM 539 CG TYR A 35 17.147 -18.651 17.645 1.00 0.00 C ATOM 540 CD1 TYR A 35 18.103 -19.063 16.728 1.00 0.00 C ATOM 541 CD2 TYR A 35 16.688 -19.577 18.570 1.00 0.00 C ATOM 542 CE1 TYR A 35 18.586 -20.355 16.729 1.00 0.00 C ATOM 543 CE2 TYR A 35 17.164 -20.875 18.580 1.00 0.00 C ATOM 544 CZ TYR A 35 18.114 -21.258 17.656 1.00 0.00 C ATOM 545 OH TYR A 35 18.599 -22.549 17.660 1.00 0.00 O ATOM 0 H TYR A 35 15.711 -14.970 17.263 1.00 0.00 H new ATOM 0 HA TYR A 35 16.116 -17.158 15.557 1.00 0.00 H new ATOM 0 HB2 TYR A 35 17.479 -16.545 17.556 1.00 0.00 H new ATOM 0 HB3 TYR A 35 16.151 -17.021 18.595 1.00 0.00 H new ATOM 0 HD1 TYR A 35 18.476 -18.359 15.999 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.946 -19.279 19.295 1.00 0.00 H new ATOM 0 HE1 TYR A 35 19.330 -20.657 16.007 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.795 -21.584 19.306 1.00 0.00 H new ATOM 0 HH TYR A 35 18.165 -23.059 18.376 1.00 0.00 H new ATOM 555 N THR A 36 13.436 -17.342 17.441 1.00 0.00 N ATOM 556 CA THR A 36 12.188 -18.062 17.672 1.00 0.00 C ATOM 557 C THR A 36 11.287 -18.121 16.424 1.00 0.00 C ATOM 558 O THR A 36 10.278 -18.834 16.422 1.00 0.00 O ATOM 559 CB THR A 36 11.409 -17.418 18.831 1.00 0.00 C ATOM 560 OG1 THR A 36 11.331 -15.995 18.631 1.00 0.00 O ATOM 561 CG2 THR A 36 12.089 -17.706 20.163 1.00 0.00 C ATOM 0 H THR A 36 13.506 -16.462 17.953 1.00 0.00 H new ATOM 0 HA THR A 36 12.465 -19.086 17.924 1.00 0.00 H new ATOM 0 HB THR A 36 10.406 -17.843 18.851 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.833 -15.588 19.370 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.521 -17.241 20.969 1.00 0.00 H new ATOM 0 HG22 THR A 36 12.132 -18.783 20.324 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.100 -17.300 20.150 1.00 0.00 H new ATOM 569 N ARG A 37 11.650 -17.359 15.374 1.00 0.00 N ATOM 570 CA ARG A 37 10.890 -17.325 14.109 1.00 0.00 C ATOM 571 C ARG A 37 9.537 -16.633 14.294 1.00 0.00 C ATOM 572 O ARG A 37 9.248 -16.083 15.365 1.00 0.00 O ATOM 573 CB ARG A 37 10.660 -18.749 13.566 1.00 0.00 C ATOM 574 CG ARG A 37 11.922 -19.491 13.162 1.00 0.00 C ATOM 575 CD ARG A 37 11.595 -20.916 12.736 1.00 0.00 C ATOM 576 NE ARG A 37 11.075 -21.717 13.855 1.00 0.00 N ATOM 577 CZ ARG A 37 10.147 -22.680 13.742 1.00 0.00 C ATOM 578 NH1 ARG A 37 9.616 -22.970 12.555 1.00 0.00 N ATOM 579 NH2 ARG A 37 9.742 -23.342 14.819 1.00 0.00 N ATOM 0 H ARG A 37 12.471 -16.754 15.378 1.00 0.00 H new ATOM 0 HA ARG A 37 11.484 -16.758 13.392 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.141 -19.332 14.326 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.998 -18.690 12.702 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.413 -18.965 12.343 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.623 -19.507 13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.859 -20.895 11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.491 -21.390 12.336 1.00 0.00 H new ATOM 0 HE ARG A 37 11.447 -21.526 14.785 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.914 -22.459 11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.911 -23.703 12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.136 -23.119 15.733 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.037 -24.074 14.733 1.00 0.00 H new ATOM 593 N LYS A 38 8.721 -16.669 13.232 1.00 0.00 N ATOM 594 CA LYS A 38 7.363 -16.108 13.233 1.00 0.00 C ATOM 595 C LYS A 38 7.394 -14.582 13.347 1.00 0.00 C ATOM 596 O LYS A 38 6.695 -13.989 14.178 1.00 0.00 O ATOM 597 CB LYS A 38 6.508 -16.723 14.365 1.00 0.00 C ATOM 598 CG LYS A 38 6.444 -18.252 14.348 1.00 0.00 C ATOM 599 CD LYS A 38 5.804 -18.800 13.073 1.00 0.00 C ATOM 600 CE LYS A 38 4.313 -18.495 13.006 1.00 0.00 C ATOM 601 NZ LYS A 38 3.662 -19.145 11.834 1.00 0.00 N ATOM 0 H LYS A 38 8.986 -17.091 12.342 1.00 0.00 H new ATOM 0 HA LYS A 38 6.900 -16.365 12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.910 -16.399 15.325 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.495 -16.328 14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.452 -18.655 14.446 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.877 -18.598 15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.301 -18.370 12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.956 -19.878 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.832 -18.836 13.923 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.166 -17.416 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.649 -18.912 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.103 -18.801 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.779 -20.176 11.899 1.00 0.00 H new ATOM 615 N ASP A 39 8.186 -13.955 12.486 1.00 0.00 N ATOM 616 CA ASP A 39 8.333 -12.500 12.466 1.00 0.00 C ATOM 617 C ASP A 39 7.142 -11.835 11.767 1.00 0.00 C ATOM 618 O ASP A 39 6.235 -12.519 11.284 1.00 0.00 O ATOM 619 CB ASP A 39 9.657 -12.099 11.799 1.00 0.00 C ATOM 620 CG ASP A 39 9.814 -12.672 10.403 1.00 0.00 C ATOM 621 OD1 ASP A 39 9.890 -13.921 10.274 1.00 0.00 O ATOM 622 OD2 ASP A 39 9.880 -11.887 9.446 1.00 0.00 O ATOM 0 H ASP A 39 8.745 -14.437 11.782 1.00 0.00 H new ATOM 0 HA ASP A 39 8.351 -12.147 13.497 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.718 -11.012 11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.487 -12.436 12.420 1.00 0.00 H new ATOM 627 N CYS A 40 7.129 -10.507 11.733 1.00 0.00 N ATOM 628 CA CYS A 40 5.992 -9.773 11.174 1.00 0.00 C ATOM 629 C CYS A 40 6.350 -9.002 9.886 1.00 0.00 C ATOM 630 O CYS A 40 7.372 -9.255 9.261 1.00 0.00 O ATOM 631 CB CYS A 40 5.395 -8.833 12.236 1.00 0.00 C ATOM 632 SG CYS A 40 6.578 -7.689 12.994 1.00 0.00 S ATOM 0 H CYS A 40 7.885 -9.918 12.082 1.00 0.00 H new ATOM 0 HA CYS A 40 5.242 -10.510 10.887 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.594 -8.253 11.778 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.942 -9.437 13.022 1.00 0.00 H new ATOM 0 HG CYS A 40 5.965 -6.948 13.869 1.00 0.00 H new ATOM 638 N ILE A 41 5.490 -8.038 9.529 1.00 0.00 N ATOM 639 CA ILE A 41 5.626 -7.272 8.286 1.00 0.00 C ATOM 640 C ILE A 41 5.244 -5.808 8.531 1.00 0.00 C ATOM 641 O ILE A 41 4.240 -5.524 9.194 1.00 0.00 O ATOM 642 CB ILE A 41 4.760 -7.862 7.128 1.00 0.00 C ATOM 643 CG1 ILE A 41 5.220 -9.288 6.784 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.831 -6.968 5.887 1.00 0.00 C ATOM 645 CD1 ILE A 41 4.354 -9.987 5.759 1.00 0.00 C ATOM 0 H ILE A 41 4.684 -7.769 10.093 1.00 0.00 H new ATOM 0 HA ILE A 41 6.669 -7.336 7.976 1.00 0.00 H new ATOM 0 HB ILE A 41 3.724 -7.901 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.244 -9.248 6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.236 -9.883 7.697 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.220 -7.398 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.458 -5.974 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.865 -6.895 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.746 -10.987 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.334 -10.062 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.357 -9.417 4.830 1.00 0.00 H new ATOM 657 N ARG A 42 6.050 -4.885 8.017 1.00 0.00 N ATOM 658 CA ARG A 42 5.802 -3.459 8.218 1.00 0.00 C ATOM 659 C ARG A 42 5.706 -2.716 6.876 1.00 0.00 C ATOM 660 O ARG A 42 6.510 -2.946 5.972 1.00 0.00 O ATOM 661 CB ARG A 42 6.928 -2.867 9.069 1.00 0.00 C ATOM 662 CG ARG A 42 6.736 -1.411 9.458 1.00 0.00 C ATOM 663 CD ARG A 42 7.941 -0.893 10.227 1.00 0.00 C ATOM 664 NE ARG A 42 8.159 -1.633 11.477 1.00 0.00 N ATOM 665 CZ ARG A 42 9.224 -1.475 12.271 1.00 0.00 C ATOM 666 NH1 ARG A 42 10.143 -0.557 11.988 1.00 0.00 N ATOM 667 NH2 ARG A 42 9.363 -2.228 13.354 1.00 0.00 N ATOM 0 H ARG A 42 6.878 -5.096 7.460 1.00 0.00 H new ATOM 0 HA ARG A 42 4.848 -3.340 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.028 -3.461 9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.866 -2.961 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.584 -0.808 8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.838 -1.308 10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.830 -0.970 9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.800 0.164 10.452 1.00 0.00 H new ATOM 0 HE ARG A 42 7.452 -2.312 11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.038 0.032 11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.953 -0.441 12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.657 -2.928 13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.175 -2.107 13.959 1.00 0.00 H new ATOM 681 N LEU A 43 4.714 -1.829 6.761 1.00 0.00 N ATOM 682 CA LEU A 43 4.521 -1.016 5.552 1.00 0.00 C ATOM 683 C LEU A 43 4.899 0.439 5.826 1.00 0.00 C ATOM 684 O LEU A 43 4.384 1.059 6.764 1.00 0.00 O ATOM 685 CB LEU A 43 3.054 -1.066 5.069 1.00 0.00 C ATOM 686 CG LEU A 43 2.631 -2.272 4.208 1.00 0.00 C ATOM 687 CD1 LEU A 43 2.747 -3.574 4.978 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.207 -2.081 3.703 1.00 0.00 C ATOM 0 H LEU A 43 4.027 -1.653 7.494 1.00 0.00 H new ATOM 0 HA LEU A 43 5.164 -1.429 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.409 -1.037 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.856 -0.159 4.498 1.00 0.00 H new ATOM 0 HG LEU A 43 3.308 -2.330 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.441 -4.403 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.781 -3.720 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.103 -3.536 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.918 -2.939 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.529 -1.992 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.153 -1.175 3.100 1.00 0.00 H new ATOM 700 N ARG A 44 5.805 0.974 5.027 1.00 0.00 N ATOM 701 CA ARG A 44 6.215 2.362 5.171 1.00 0.00 C ATOM 702 C ARG A 44 5.973 3.150 3.880 1.00 0.00 C ATOM 703 O ARG A 44 6.470 2.780 2.813 1.00 0.00 O ATOM 704 CB ARG A 44 7.693 2.429 5.569 1.00 0.00 C ATOM 705 CG ARG A 44 8.215 3.832 5.827 1.00 0.00 C ATOM 706 CD ARG A 44 9.683 3.804 6.220 1.00 0.00 C ATOM 707 NE ARG A 44 10.181 5.126 6.587 1.00 0.00 N ATOM 708 CZ ARG A 44 10.803 5.966 5.755 1.00 0.00 C ATOM 709 NH1 ARG A 44 10.990 5.633 4.482 1.00 0.00 N ATOM 710 NH2 ARG A 44 11.237 7.137 6.201 1.00 0.00 N ATOM 0 H ARG A 44 6.271 0.470 4.272 1.00 0.00 H new ATOM 0 HA ARG A 44 5.611 2.818 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.842 1.829 6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.290 1.973 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.086 4.442 4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.632 4.301 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.820 3.121 7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.272 3.413 5.390 1.00 0.00 H new ATOM 0 HE ARG A 44 10.044 5.431 7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.658 4.733 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.465 6.278 3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.096 7.395 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.712 7.780 5.567 1.00 0.00 H new ATOM 724 N ILE A 45 5.208 4.232 3.989 1.00 0.00 N ATOM 725 CA ILE A 45 4.917 5.107 2.852 1.00 0.00 C ATOM 726 C ILE A 45 5.871 6.292 2.893 1.00 0.00 C ATOM 727 O ILE A 45 6.031 6.919 3.949 1.00 0.00 O ATOM 728 CB ILE A 45 3.465 5.650 2.922 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.458 4.504 3.082 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.140 6.467 1.673 1.00 0.00 C ATOM 731 CD1 ILE A 45 2.435 3.537 1.924 1.00 0.00 C ATOM 0 H ILE A 45 4.773 4.528 4.863 1.00 0.00 H new ATOM 0 HA ILE A 45 5.036 4.532 1.933 1.00 0.00 H new ATOM 0 HB ILE A 45 3.388 6.297 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.690 3.955 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.461 4.926 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.118 6.840 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.830 7.308 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.240 5.836 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.697 2.758 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.171 4.070 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.420 3.084 1.809 1.00 0.00 H new ATOM 743 N GLU A 46 6.494 6.624 1.772 1.00 0.00 N ATOM 744 CA GLU A 46 7.474 7.688 1.747 1.00 0.00 C ATOM 745 C GLU A 46 7.193 8.611 0.563 1.00 0.00 C ATOM 746 O GLU A 46 6.727 8.157 -0.487 1.00 0.00 O ATOM 747 CB GLU A 46 8.875 7.077 1.624 1.00 0.00 C ATOM 748 CG GLU A 46 10.017 8.075 1.682 1.00 0.00 C ATOM 749 CD GLU A 46 11.365 7.402 1.554 1.00 0.00 C ATOM 750 OE1 GLU A 46 11.805 7.138 0.413 1.00 0.00 O ATOM 751 OE2 GLU A 46 11.990 7.122 2.593 1.00 0.00 O ATOM 0 H GLU A 46 6.336 6.170 0.872 1.00 0.00 H new ATOM 0 HA GLU A 46 7.417 8.269 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.009 6.348 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.936 6.532 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.900 8.807 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.973 8.622 2.624 1.00 0.00 H new ATOM 758 N ASP A 47 7.450 9.893 0.743 1.00 0.00 N ATOM 759 CA ASP A 47 7.247 10.876 -0.314 1.00 0.00 C ATOM 760 C ASP A 47 8.471 10.922 -1.221 1.00 0.00 C ATOM 761 O ASP A 47 9.552 10.487 -0.833 1.00 0.00 O ATOM 762 CB ASP A 47 6.969 12.257 0.290 1.00 0.00 C ATOM 763 CG ASP A 47 6.772 13.327 -0.762 1.00 0.00 C ATOM 764 OD1 ASP A 47 5.791 13.249 -1.518 1.00 0.00 O ATOM 765 OD2 ASP A 47 7.610 14.242 -0.842 1.00 0.00 O ATOM 0 H ASP A 47 7.802 10.284 1.617 1.00 0.00 H new ATOM 0 HA ASP A 47 6.382 10.584 -0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.079 12.202 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.799 12.539 0.938 1.00 0.00 H new ATOM 770 N ARG A 48 8.321 11.475 -2.413 1.00 0.00 N ATOM 771 CA ARG A 48 9.408 11.510 -3.382 1.00 0.00 C ATOM 772 C ARG A 48 10.329 12.714 -3.173 1.00 0.00 C ATOM 773 O ARG A 48 11.230 12.959 -3.972 1.00 0.00 O ATOM 774 CB ARG A 48 8.846 11.484 -4.825 1.00 0.00 C ATOM 775 CG ARG A 48 7.612 12.369 -5.053 1.00 0.00 C ATOM 776 CD ARG A 48 7.940 13.855 -5.007 1.00 0.00 C ATOM 777 NE ARG A 48 6.729 14.682 -5.012 1.00 0.00 N ATOM 778 CZ ARG A 48 6.503 15.699 -5.847 1.00 0.00 C ATOM 779 NH1 ARG A 48 7.401 16.017 -6.771 1.00 0.00 N ATOM 780 NH2 ARG A 48 5.376 16.399 -5.755 1.00 0.00 N ATOM 0 H ARG A 48 7.455 11.907 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 48 10.015 10.618 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.632 11.798 -5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.590 10.456 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.170 12.128 -6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.862 12.143 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.523 14.071 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.562 14.116 -5.863 1.00 0.00 H new ATOM 0 HE ARG A 48 6.006 14.464 -4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.267 15.484 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.225 16.795 -7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.683 16.159 -5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.205 17.176 -6.393 1.00 0.00 H new ATOM 794 N SER A 49 10.104 13.455 -2.102 1.00 0.00 N ATOM 795 CA SER A 49 10.912 14.616 -1.791 1.00 0.00 C ATOM 796 C SER A 49 11.633 14.390 -0.451 1.00 0.00 C ATOM 797 O SER A 49 12.086 15.332 0.201 1.00 0.00 O ATOM 798 CB SER A 49 10.021 15.872 -1.732 1.00 0.00 C ATOM 799 OG SER A 49 10.789 17.064 -1.677 1.00 0.00 O ATOM 0 H SER A 49 9.361 13.269 -1.429 1.00 0.00 H new ATOM 0 HA SER A 49 11.660 14.766 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.372 15.898 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.373 15.817 -0.857 1.00 0.00 H new ATOM 0 HG SER A 49 11.508 16.960 -1.020 1.00 0.00 H new ATOM 805 N GLY A 50 11.744 13.119 -0.065 1.00 0.00 N ATOM 806 CA GLY A 50 12.391 12.757 1.193 1.00 0.00 C ATOM 807 C GLY A 50 11.423 12.676 2.363 1.00 0.00 C ATOM 808 O GLY A 50 11.621 11.883 3.285 1.00 0.00 O ATOM 0 H GLY A 50 11.395 12.326 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.889 11.795 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.165 13.490 1.420 1.00 0.00 H new ATOM 812 N ASN A 51 10.404 13.533 2.342 1.00 0.00 N ATOM 813 CA ASN A 51 9.362 13.562 3.382 1.00 0.00 C ATOM 814 C ASN A 51 8.738 12.176 3.628 1.00 0.00 C ATOM 815 O ASN A 51 8.707 11.322 2.744 1.00 0.00 O ATOM 816 CB ASN A 51 8.252 14.561 2.997 1.00 0.00 C ATOM 817 CG ASN A 51 8.766 15.974 2.760 1.00 0.00 C ATOM 818 OD1 ASN A 51 9.167 16.324 1.646 1.00 0.00 O ATOM 819 ND2 ASN A 51 8.738 16.801 3.789 1.00 0.00 N ATOM 0 H ASN A 51 10.272 14.228 1.607 1.00 0.00 H new ATOM 0 HA ASN A 51 9.846 13.878 4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.753 14.208 2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.503 14.583 3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.054 17.764 3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.400 16.477 4.695 1.00 0.00 H new ATOM 826 N LEU A 52 8.236 11.982 4.834 1.00 0.00 N ATOM 827 CA LEU A 52 7.597 10.721 5.208 1.00 0.00 C ATOM 828 C LEU A 52 6.093 10.907 5.319 1.00 0.00 C ATOM 829 O LEU A 52 5.622 11.903 5.866 1.00 0.00 O ATOM 830 CB LEU A 52 8.176 10.124 6.509 1.00 0.00 C ATOM 831 CG LEU A 52 8.061 10.972 7.780 1.00 0.00 C ATOM 832 CD1 LEU A 52 8.079 10.076 9.006 1.00 0.00 C ATOM 833 CD2 LEU A 52 9.202 11.968 7.860 1.00 0.00 C ATOM 0 H LEU A 52 8.256 12.680 5.577 1.00 0.00 H new ATOM 0 HA LEU A 52 7.810 10.003 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.681 9.171 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.231 9.908 6.341 1.00 0.00 H new ATOM 0 HG LEU A 52 7.119 11.519 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.997 10.687 9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.240 9.382 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.013 9.515 9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.104 12.561 8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.152 11.433 7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.172 12.626 6.992 1.00 0.00 H new ATOM 845 N ILE A 53 5.342 9.951 4.796 1.00 0.00 N ATOM 846 CA ILE A 53 3.892 10.069 4.765 1.00 0.00 C ATOM 847 C ILE A 53 3.231 9.381 5.959 1.00 0.00 C ATOM 848 O ILE A 53 2.575 10.036 6.768 1.00 0.00 O ATOM 849 CB ILE A 53 3.303 9.505 3.446 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.872 10.258 2.229 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.776 9.575 3.457 1.00 0.00 C ATOM 852 CD1 ILE A 53 3.546 11.742 2.208 1.00 0.00 C ATOM 0 H ILE A 53 5.709 9.090 4.390 1.00 0.00 H new ATOM 0 HA ILE A 53 3.673 11.135 4.822 1.00 0.00 H new ATOM 0 HB ILE A 53 3.594 8.458 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.955 10.135 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.486 9.799 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.387 9.174 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.391 8.989 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.460 10.612 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.983 12.198 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.464 11.877 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.957 12.217 3.099 1.00 0.00 H new ATOM 864 N ASP A 54 3.424 8.071 6.083 1.00 0.00 N ATOM 865 CA ASP A 54 2.769 7.309 7.148 1.00 0.00 C ATOM 866 C ASP A 54 3.430 5.937 7.306 1.00 0.00 C ATOM 867 O ASP A 54 4.235 5.527 6.458 1.00 0.00 O ATOM 868 CB ASP A 54 1.265 7.148 6.840 1.00 0.00 C ATOM 869 CG ASP A 54 0.457 6.678 8.037 1.00 0.00 C ATOM 870 OD1 ASP A 54 0.100 7.520 8.890 1.00 0.00 O ATOM 871 OD2 ASP A 54 0.177 5.475 8.135 1.00 0.00 O ATOM 0 H ASP A 54 4.021 7.518 5.468 1.00 0.00 H new ATOM 0 HA ASP A 54 2.877 7.855 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.867 8.102 6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.142 6.436 6.024 1.00 0.00 H new ATOM 876 N THR A 55 3.079 5.232 8.370 1.00 0.00 N ATOM 877 CA THR A 55 3.639 3.919 8.659 1.00 0.00 C ATOM 878 C THR A 55 2.588 3.024 9.301 1.00 0.00 C ATOM 879 O THR A 55 1.793 3.485 10.121 1.00 0.00 O ATOM 880 CB THR A 55 4.877 4.016 9.594 1.00 0.00 C ATOM 881 OG1 THR A 55 4.654 4.995 10.625 1.00 0.00 O ATOM 882 CG2 THR A 55 6.131 4.371 8.814 1.00 0.00 C ATOM 0 H THR A 55 2.398 5.553 9.058 1.00 0.00 H new ATOM 0 HA THR A 55 3.959 3.487 7.711 1.00 0.00 H new ATOM 0 HB THR A 55 5.022 3.038 10.052 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.442 5.043 11.206 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.979 4.431 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.322 3.604 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.993 5.333 8.321 1.00 0.00 H new ATOM 890 N SER A 56 2.581 1.753 8.937 1.00 0.00 N ATOM 891 CA SER A 56 1.628 0.815 9.499 1.00 0.00 C ATOM 892 C SER A 56 2.269 -0.560 9.686 1.00 0.00 C ATOM 893 O SER A 56 3.000 -1.042 8.814 1.00 0.00 O ATOM 894 CB SER A 56 0.386 0.715 8.594 1.00 0.00 C ATOM 895 OG SER A 56 -0.595 -0.141 9.151 1.00 0.00 O ATOM 0 H SER A 56 3.224 1.349 8.256 1.00 0.00 H new ATOM 0 HA SER A 56 1.318 1.180 10.478 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.038 1.708 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.679 0.344 7.612 1.00 0.00 H new ATOM 0 HG SER A 56 -0.751 -0.896 8.547 1.00 0.00 H new ATOM 901 N THR A 57 2.009 -1.170 10.827 1.00 0.00 N ATOM 902 CA THR A 57 2.517 -2.490 11.124 1.00 0.00 C ATOM 903 C THR A 57 1.351 -3.446 11.373 1.00 0.00 C ATOM 904 O THR A 57 0.457 -3.153 12.175 1.00 0.00 O ATOM 905 CB THR A 57 3.451 -2.460 12.359 1.00 0.00 C ATOM 906 OG1 THR A 57 4.547 -1.565 12.115 1.00 0.00 O ATOM 907 CG2 THR A 57 3.996 -3.850 12.669 1.00 0.00 C ATOM 0 H THR A 57 1.441 -0.763 11.570 1.00 0.00 H new ATOM 0 HA THR A 57 3.096 -2.838 10.269 1.00 0.00 H new ATOM 0 HB THR A 57 2.871 -2.115 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.135 -1.547 12.899 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.649 -3.799 13.541 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.168 -4.528 12.875 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.562 -4.218 11.813 1.00 0.00 H new ATOM 915 N PHE A 58 1.362 -4.577 10.689 1.00 0.00 N ATOM 916 CA PHE A 58 0.290 -5.552 10.805 1.00 0.00 C ATOM 917 C PHE A 58 0.790 -6.811 11.487 1.00 0.00 C ATOM 918 O PHE A 58 1.841 -7.346 11.125 1.00 0.00 O ATOM 919 CB PHE A 58 -0.266 -5.907 9.422 1.00 0.00 C ATOM 920 CG PHE A 58 -0.939 -4.764 8.713 1.00 0.00 C ATOM 921 CD1 PHE A 58 -2.285 -4.504 8.917 1.00 0.00 C ATOM 922 CD2 PHE A 58 -0.229 -3.954 7.838 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.910 -3.460 8.264 1.00 0.00 C ATOM 924 CE2 PHE A 58 -0.850 -2.909 7.183 1.00 0.00 C ATOM 925 CZ PHE A 58 -2.192 -2.661 7.396 1.00 0.00 C ATOM 0 H PHE A 58 2.106 -4.844 10.044 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.505 -5.111 11.406 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.549 -6.276 8.799 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.980 -6.724 9.529 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.852 -5.125 9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.821 -4.143 7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.960 -3.268 8.432 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.287 -2.286 6.504 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.679 -1.844 6.885 1.00 0.00 H new ATOM 935 N TYR A 59 0.050 -7.283 12.479 1.00 0.00 N ATOM 936 CA TYR A 59 0.430 -8.494 13.174 1.00 0.00 C ATOM 937 C TYR A 59 -0.782 -9.356 13.532 1.00 0.00 C ATOM 938 O TYR A 59 -1.608 -8.989 14.359 1.00 0.00 O ATOM 939 CB TYR A 59 1.288 -8.173 14.426 1.00 0.00 C ATOM 940 CG TYR A 59 0.649 -7.206 15.417 1.00 0.00 C ATOM 941 CD1 TYR A 59 0.687 -5.831 15.202 1.00 0.00 C ATOM 942 CD2 TYR A 59 0.015 -7.670 16.566 1.00 0.00 C ATOM 943 CE1 TYR A 59 0.113 -4.950 16.099 1.00 0.00 C ATOM 944 CE2 TYR A 59 -0.561 -6.793 17.467 1.00 0.00 C ATOM 945 CZ TYR A 59 -0.508 -5.435 17.228 1.00 0.00 C ATOM 946 OH TYR A 59 -1.080 -4.556 18.126 1.00 0.00 O ATOM 0 H TYR A 59 -0.809 -6.847 12.815 1.00 0.00 H new ATOM 0 HA TYR A 59 1.043 -9.080 12.489 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.510 -9.106 14.944 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.240 -7.756 14.098 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.174 -5.446 14.318 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.028 -8.732 16.757 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.151 -3.886 15.915 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.050 -7.169 18.353 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.478 -5.058 18.867 1.00 0.00 H new ATOM 956 N HIS A 60 -0.872 -10.485 12.861 1.00 0.00 N ATOM 957 CA HIS A 60 -1.886 -11.519 13.088 1.00 0.00 C ATOM 958 C HIS A 60 -1.349 -12.779 12.470 1.00 0.00 C ATOM 959 O HIS A 60 -0.727 -12.709 11.409 1.00 0.00 O ATOM 960 CB HIS A 60 -3.242 -11.187 12.414 1.00 0.00 C ATOM 961 CG HIS A 60 -4.069 -10.128 13.091 1.00 0.00 C ATOM 962 ND1 HIS A 60 -4.279 -10.079 14.454 1.00 0.00 N ATOM 963 CD2 HIS A 60 -4.749 -9.081 12.573 1.00 0.00 C ATOM 964 CE1 HIS A 60 -5.047 -9.049 14.746 1.00 0.00 C ATOM 965 NE2 HIS A 60 -5.349 -8.423 13.621 1.00 0.00 N ATOM 0 H HIS A 60 -0.222 -10.726 12.113 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.073 -11.606 14.158 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.049 -10.870 11.389 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.832 -12.102 12.359 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.810 -8.811 11.529 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.374 -8.765 15.735 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.931 -7.589 13.543 1.00 0.00 H new ATOM 973 N HIS A 61 -1.554 -13.924 13.078 1.00 0.00 N ATOM 974 CA HIS A 61 -1.018 -15.118 12.465 1.00 0.00 C ATOM 975 C HIS A 61 -2.047 -15.814 11.582 1.00 0.00 C ATOM 976 O HIS A 61 -2.664 -16.807 11.965 1.00 0.00 O ATOM 977 CB HIS A 61 -0.414 -16.089 13.515 1.00 0.00 C ATOM 978 CG HIS A 61 -1.310 -16.409 14.690 1.00 0.00 C ATOM 979 ND1 HIS A 61 -2.193 -17.469 14.705 1.00 0.00 N ATOM 980 CD2 HIS A 61 -1.433 -15.810 15.899 1.00 0.00 C ATOM 981 CE1 HIS A 61 -2.820 -17.509 15.861 1.00 0.00 C ATOM 982 NE2 HIS A 61 -2.377 -16.514 16.608 1.00 0.00 N ATOM 0 H HIS A 61 -2.062 -14.055 13.953 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.201 -14.800 11.817 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.152 -17.021 13.015 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.513 -15.658 13.893 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.890 -14.941 16.242 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -3.569 -18.232 16.150 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.685 -16.302 17.557 1.00 0.00 H new ATOM 990 N ASP A 62 -2.249 -15.242 10.403 1.00 0.00 N ATOM 991 CA ASP A 62 -3.045 -15.850 9.353 1.00 0.00 C ATOM 992 C ASP A 62 -2.465 -15.475 8.009 1.00 0.00 C ATOM 993 O ASP A 62 -2.415 -14.294 7.666 1.00 0.00 O ATOM 994 CB ASP A 62 -4.519 -15.479 9.420 1.00 0.00 C ATOM 995 CG ASP A 62 -5.340 -16.355 8.488 1.00 0.00 C ATOM 996 OD1 ASP A 62 -5.660 -17.501 8.876 1.00 0.00 O ATOM 997 OD2 ASP A 62 -5.636 -15.925 7.349 1.00 0.00 O ATOM 0 H ASP A 62 -1.860 -14.334 10.149 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.002 -16.930 9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.880 -15.590 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.647 -14.431 9.148 1.00 0.00 H new ATOM 1002 N GLU A 63 -2.029 -16.453 7.268 1.00 0.00 N ATOM 1003 CA GLU A 63 -1.389 -16.220 5.978 1.00 0.00 C ATOM 1004 C GLU A 63 -2.281 -15.443 4.988 1.00 0.00 C ATOM 1005 O GLU A 63 -1.838 -14.457 4.391 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.987 -17.553 5.387 1.00 0.00 C ATOM 1007 CG GLU A 63 -0.264 -17.469 4.058 1.00 0.00 C ATOM 1008 CD GLU A 63 0.079 -18.834 3.519 1.00 0.00 C ATOM 1009 OE1 GLU A 63 -0.818 -19.490 2.944 1.00 0.00 O ATOM 1010 OE2 GLU A 63 1.239 -19.269 3.680 1.00 0.00 O ATOM 0 H GLU A 63 -2.101 -17.437 7.528 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.514 -15.594 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.347 -18.072 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.882 -18.162 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.888 -16.940 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.649 -16.886 4.177 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.524 -15.876 4.819 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.424 -15.226 3.854 1.00 0.00 C ATOM 1019 C ASP A 64 -4.822 -13.818 4.300 1.00 0.00 C ATOM 1020 O ASP A 64 -4.730 -12.859 3.526 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.679 -16.065 3.624 1.00 0.00 C ATOM 1022 CG ASP A 64 -6.518 -15.540 2.476 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -7.390 -14.673 2.714 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -6.307 -15.990 1.325 1.00 0.00 O ATOM 0 H ASP A 64 -3.934 -16.661 5.325 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.872 -15.143 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.392 -17.096 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.278 -16.076 4.534 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.245 -13.703 5.552 1.00 0.00 N ATOM 1030 CA VAL A 65 -5.680 -12.420 6.108 1.00 0.00 C ATOM 1031 C VAL A 65 -4.566 -11.373 6.082 1.00 0.00 C ATOM 1032 O VAL A 65 -4.808 -10.221 5.716 1.00 0.00 O ATOM 1033 CB VAL A 65 -6.220 -12.561 7.561 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -6.521 -11.202 8.167 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -7.468 -13.418 7.592 1.00 0.00 C ATOM 0 H VAL A 65 -5.298 -14.483 6.207 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.493 -12.082 5.465 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.442 -13.044 8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.897 -11.331 9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.610 -10.604 8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.273 -10.693 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.826 -13.502 8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.240 -12.959 6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.237 -14.411 7.206 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.349 -11.779 6.443 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.234 -10.839 6.562 1.00 0.00 C ATOM 1047 C LEU A 66 -2.018 -10.077 5.238 1.00 0.00 C ATOM 1048 O LEU A 66 -2.050 -8.841 5.208 1.00 0.00 O ATOM 1049 CB LEU A 66 -0.951 -11.615 6.945 1.00 0.00 C ATOM 1050 CG LEU A 66 0.110 -10.842 7.771 1.00 0.00 C ATOM 1051 CD1 LEU A 66 0.703 -9.688 6.980 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.489 -10.336 9.077 1.00 0.00 C ATOM 0 H LEU A 66 -3.110 -12.747 6.657 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.466 -10.110 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.244 -12.499 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.479 -11.966 6.027 1.00 0.00 H new ATOM 0 HG LEU A 66 0.916 -11.538 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.442 -9.170 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.182 -10.072 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.089 -8.993 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.272 -9.797 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.322 -9.667 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.846 -11.181 9.665 1.00 0.00 H new ATOM 1064 N PHE A 67 -1.802 -10.819 4.162 1.00 0.00 N ATOM 1065 CA PHE A 67 -1.638 -10.219 2.832 1.00 0.00 C ATOM 1066 C PHE A 67 -2.840 -9.378 2.386 1.00 0.00 C ATOM 1067 O PHE A 67 -2.663 -8.266 1.877 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.313 -11.284 1.781 1.00 0.00 C ATOM 1069 CG PHE A 67 0.076 -11.844 1.906 1.00 0.00 C ATOM 1070 CD1 PHE A 67 1.162 -11.121 1.441 1.00 0.00 C ATOM 1071 CD2 PHE A 67 0.300 -13.081 2.489 1.00 0.00 C ATOM 1072 CE1 PHE A 67 2.444 -11.619 1.550 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.581 -13.587 2.603 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.656 -12.854 2.132 1.00 0.00 C ATOM 0 H PHE A 67 -1.735 -11.837 4.176 1.00 0.00 H new ATOM 0 HA PHE A 67 -0.795 -9.534 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.033 -12.098 1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.434 -10.852 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.003 -10.154 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.536 -13.656 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.281 -11.044 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.743 -14.553 3.059 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.658 -13.246 2.219 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.050 -9.888 2.574 1.00 0.00 N ATOM 1085 CA ASN A 68 -5.252 -9.166 2.133 1.00 0.00 C ATOM 1086 C ASN A 68 -5.406 -7.817 2.867 1.00 0.00 C ATOM 1087 O ASN A 68 -5.699 -6.792 2.249 1.00 0.00 O ATOM 1088 CB ASN A 68 -6.492 -10.044 2.336 1.00 0.00 C ATOM 1089 CG ASN A 68 -7.768 -9.411 1.804 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.481 -8.714 2.524 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -8.066 -9.664 0.541 1.00 0.00 N ATOM 0 H ASN A 68 -4.232 -10.786 3.022 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.146 -8.944 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.336 -11.002 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.613 -10.251 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.915 -9.276 0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.447 -10.247 -0.022 1.00 0.00 H new ATOM 1098 N MET A 69 -5.204 -7.841 4.181 1.00 0.00 N ATOM 1099 CA MET A 69 -5.259 -6.601 4.990 1.00 0.00 C ATOM 1100 C MET A 69 -4.294 -5.546 4.449 1.00 0.00 C ATOM 1101 O MET A 69 -4.638 -4.367 4.348 1.00 0.00 O ATOM 1102 CB MET A 69 -4.919 -6.857 6.465 1.00 0.00 C ATOM 1103 CG MET A 69 -5.906 -7.729 7.213 1.00 0.00 C ATOM 1104 SD MET A 69 -5.529 -7.821 8.982 1.00 0.00 S ATOM 1105 CE MET A 69 -3.909 -8.583 8.943 1.00 0.00 C ATOM 0 H MET A 69 -5.003 -8.687 4.714 1.00 0.00 H new ATOM 0 HA MET A 69 -6.285 -6.239 4.920 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.935 -7.322 6.519 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.847 -5.897 6.976 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.913 -7.335 7.077 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.897 -8.733 6.788 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.929 -9.510 9.517 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.634 -8.801 7.911 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.176 -7.903 9.378 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.101 -5.985 4.085 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.056 -5.087 3.612 1.00 0.00 C ATOM 1117 C CYS A 70 -2.417 -4.412 2.276 1.00 0.00 C ATOM 1118 O CYS A 70 -2.160 -3.225 2.087 1.00 0.00 O ATOM 1119 CB CYS A 70 -0.736 -5.851 3.471 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.102 -6.524 5.024 1.00 0.00 S ATOM 0 H CYS A 70 -2.828 -6.968 4.108 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.951 -4.296 4.354 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.876 -6.668 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 70 0.013 -5.184 3.044 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.818 -7.550 5.377 1.00 0.00 H new ATOM 1126 N THR A 71 -3.020 -5.162 1.362 1.00 0.00 N ATOM 1127 CA THR A 71 -3.316 -4.637 0.033 1.00 0.00 C ATOM 1128 C THR A 71 -4.533 -3.687 0.019 1.00 0.00 C ATOM 1129 O THR A 71 -4.556 -2.710 -0.743 1.00 0.00 O ATOM 1130 CB THR A 71 -3.499 -5.782 -1.017 1.00 0.00 C ATOM 1131 OG1 THR A 71 -3.658 -5.234 -2.335 1.00 0.00 O ATOM 1132 CG2 THR A 71 -4.701 -6.656 -0.690 1.00 0.00 C ATOM 0 H THR A 71 -3.312 -6.128 1.513 1.00 0.00 H new ATOM 0 HA THR A 71 -2.445 -4.047 -0.253 1.00 0.00 H new ATOM 0 HB THR A 71 -2.602 -6.400 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.770 -5.963 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.796 -7.440 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.565 -7.109 0.292 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.604 -6.046 -0.686 1.00 0.00 H new ATOM 1140 N ASP A 72 -5.536 -3.964 0.858 1.00 0.00 N ATOM 1141 CA ASP A 72 -6.768 -3.157 0.858 1.00 0.00 C ATOM 1142 C ASP A 72 -6.499 -1.695 1.233 1.00 0.00 C ATOM 1143 O ASP A 72 -6.908 -0.776 0.511 1.00 0.00 O ATOM 1144 CB ASP A 72 -7.821 -3.752 1.795 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.178 -3.078 1.638 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -9.910 -3.424 0.682 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -9.516 -2.205 2.458 1.00 0.00 O ATOM 0 H ASP A 72 -5.525 -4.726 1.536 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.153 -3.177 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.922 -4.819 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.485 -3.652 2.827 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.804 -1.482 2.353 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.459 -0.136 2.838 1.00 0.00 C ATOM 1154 C TRP A 73 -4.661 0.673 1.802 1.00 0.00 C ATOM 1155 O TRP A 73 -4.840 1.887 1.687 1.00 0.00 O ATOM 1156 CB TRP A 73 -4.674 -0.261 4.158 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.293 1.043 4.817 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.040 1.777 5.697 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -3.058 1.746 4.667 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -4.336 2.893 6.097 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -3.118 2.893 5.478 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.912 1.513 3.924 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -2.062 3.803 5.565 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.871 2.411 4.006 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.950 3.543 4.823 1.00 0.00 C ATOM 0 H TRP A 73 -5.463 -2.234 2.951 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.386 0.412 3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -5.271 -0.842 4.861 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.764 -0.830 3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -6.035 1.520 6.030 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -4.670 3.603 6.749 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.836 0.641 3.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -2.125 4.678 6.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.024 2.237 3.428 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.113 4.224 4.866 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.796 0.001 1.053 1.00 0.00 N ATOM 1177 CA LEU A 74 -2.953 0.688 0.068 1.00 0.00 C ATOM 1178 C LEU A 74 -3.798 1.326 -1.038 1.00 0.00 C ATOM 1179 O LEU A 74 -3.571 2.469 -1.417 1.00 0.00 O ATOM 1180 CB LEU A 74 -1.919 -0.269 -0.538 1.00 0.00 C ATOM 1181 CG LEU A 74 -0.799 -0.733 0.400 1.00 0.00 C ATOM 1182 CD1 LEU A 74 0.045 -1.803 -0.272 1.00 0.00 C ATOM 1183 CD2 LEU A 74 0.069 0.447 0.812 1.00 0.00 C ATOM 0 H LEU A 74 -3.656 -1.008 1.103 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.421 1.482 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.443 -1.150 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.464 0.218 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.251 -1.160 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.836 -2.122 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.583 -2.657 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.489 -1.398 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.860 0.102 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.513 0.899 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.543 1.186 1.328 1.00 0.00 H new ATOM 1195 N ASN A 75 -4.793 0.589 -1.531 1.00 0.00 N ATOM 1196 CA ASN A 75 -5.696 1.108 -2.569 1.00 0.00 C ATOM 1197 C ASN A 75 -6.495 2.276 -2.009 1.00 0.00 C ATOM 1198 O ASN A 75 -6.774 3.260 -2.695 1.00 0.00 O ATOM 1199 CB ASN A 75 -6.645 0.018 -3.064 1.00 0.00 C ATOM 1200 CG ASN A 75 -7.579 0.509 -4.161 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -7.210 1.351 -4.981 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -8.790 -0.003 -4.175 1.00 0.00 N ATOM 0 H ASN A 75 -4.997 -0.365 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.096 1.445 -3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.062 -0.824 -3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.237 -0.351 -2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.462 0.295 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.058 -0.698 -3.479 1.00 0.00 H new ATOM 1209 N HIS A 76 -6.831 2.148 -0.742 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.586 3.145 0.002 1.00 0.00 C ATOM 1211 C HIS A 76 -6.907 4.529 -0.024 1.00 0.00 C ATOM 1212 O HIS A 76 -7.583 5.554 0.016 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.781 2.636 1.453 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.886 3.700 2.506 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -9.028 4.434 2.735 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.964 4.145 3.400 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -8.815 5.284 3.717 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -7.568 5.131 4.141 1.00 0.00 N ATOM 0 H HIS A 76 -6.583 1.331 -0.185 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.557 3.280 -0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.684 2.027 1.487 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.946 1.982 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.949 3.791 3.507 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.534 5.987 4.111 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -7.129 5.660 4.895 1.00 0.00 H new ATOM 1226 N MET A 77 -5.584 4.545 -0.099 1.00 0.00 N ATOM 1227 CA MET A 77 -4.834 5.801 -0.068 1.00 0.00 C ATOM 1228 C MET A 77 -5.171 6.655 -1.291 1.00 0.00 C ATOM 1229 O MET A 77 -5.329 7.878 -1.199 1.00 0.00 O ATOM 1230 CB MET A 77 -3.330 5.527 -0.068 1.00 0.00 C ATOM 1231 CG MET A 77 -2.885 4.483 0.936 1.00 0.00 C ATOM 1232 SD MET A 77 -1.103 4.462 1.172 1.00 0.00 S ATOM 1233 CE MET A 77 -0.882 5.989 2.083 1.00 0.00 C ATOM 0 H MET A 77 -5.006 3.709 -0.181 1.00 0.00 H new ATOM 0 HA MET A 77 -5.112 6.332 0.842 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.032 5.205 -1.066 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.803 6.459 0.137 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.372 4.674 1.892 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.215 3.499 0.601 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.130 6.603 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.827 6.531 2.119 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.555 5.763 3.098 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.297 5.989 -2.423 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.560 6.641 -3.700 1.00 0.00 C ATOM 1245 C TYR A 78 -6.913 7.335 -3.708 1.00 0.00 C ATOM 1246 O TYR A 78 -7.054 8.432 -4.243 1.00 0.00 O ATOM 1247 CB TYR A 78 -5.507 5.607 -4.815 1.00 0.00 C ATOM 1248 CG TYR A 78 -4.178 4.923 -4.923 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -3.115 5.504 -5.594 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -3.986 3.690 -4.338 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -1.900 4.867 -5.673 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -2.780 3.048 -4.408 1.00 0.00 C ATOM 1253 CZ TYR A 78 -1.740 3.635 -5.073 1.00 0.00 C ATOM 1254 OH TYR A 78 -0.542 2.993 -5.143 1.00 0.00 O ATOM 0 H TYR A 78 -5.220 4.974 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.795 7.401 -3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.281 4.858 -4.645 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.737 6.093 -5.763 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.242 6.469 -6.061 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.805 3.221 -3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.077 5.327 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.650 2.083 -3.941 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.571 2.186 -4.588 1.00 0.00 H new ATOM 1264 N ASP A 79 -7.886 6.702 -3.081 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.266 7.193 -3.066 1.00 0.00 C ATOM 1266 C ASP A 79 -9.373 8.554 -2.361 1.00 0.00 C ATOM 1267 O ASP A 79 -10.296 9.327 -2.620 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.181 6.169 -2.390 1.00 0.00 C ATOM 1269 CG ASP A 79 -11.633 6.306 -2.810 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -12.367 7.118 -2.208 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -12.051 5.584 -3.744 1.00 0.00 O ATOM 0 H ASP A 79 -7.750 5.832 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.585 7.330 -4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.832 5.164 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.109 6.283 -1.308 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.409 8.853 -1.501 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.430 10.095 -0.733 1.00 0.00 C ATOM 1278 C GLN A 80 -7.603 11.175 -1.431 1.00 0.00 C ATOM 1279 O GLN A 80 -8.006 12.339 -1.504 1.00 0.00 O ATOM 1280 CB GLN A 80 -7.889 9.850 0.685 1.00 0.00 C ATOM 1281 CG GLN A 80 -7.752 11.110 1.532 1.00 0.00 C ATOM 1282 CD GLN A 80 -9.073 11.815 1.770 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -10.125 11.184 1.836 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -9.025 13.124 1.906 1.00 0.00 N ATOM 0 H GLN A 80 -7.603 8.255 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.462 10.440 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.551 9.152 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.914 9.369 0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.309 10.848 2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.064 11.798 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.131 13.611 1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.882 13.651 2.073 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.454 10.774 -1.948 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.542 11.693 -2.620 1.00 0.00 C ATOM 1295 C LEU A 81 -6.136 12.212 -3.927 1.00 0.00 C ATOM 1296 O LEU A 81 -5.859 13.313 -4.340 1.00 0.00 O ATOM 1297 CB LEU A 81 -4.191 11.022 -2.849 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.450 10.609 -1.566 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.155 9.888 -1.892 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -3.181 11.821 -0.681 1.00 0.00 C ATOM 0 H LEU A 81 -6.126 9.809 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.389 12.557 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.341 10.136 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.555 11.702 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.092 9.920 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.652 9.608 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.374 8.992 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.508 10.546 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.656 11.504 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.567 12.539 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.127 12.287 -0.405 1.00 0.00 H new ATOM 1312 N LYS A 82 -6.911 11.376 -4.579 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.595 11.776 -5.809 1.00 0.00 C ATOM 1314 C LYS A 82 -8.640 12.874 -5.553 1.00 0.00 C ATOM 1315 O LYS A 82 -8.828 13.765 -6.380 1.00 0.00 O ATOM 1316 CB LYS A 82 -8.200 10.572 -6.533 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.146 9.667 -7.156 1.00 0.00 C ATOM 1318 CD LYS A 82 -7.761 8.459 -7.840 1.00 0.00 C ATOM 1319 CE LYS A 82 -6.689 7.582 -8.482 1.00 0.00 C ATOM 1320 NZ LYS A 82 -6.034 8.256 -9.640 1.00 0.00 N ATOM 0 H LYS A 82 -7.090 10.415 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.842 12.205 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.799 9.994 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.876 10.924 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.563 10.236 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.454 9.332 -6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.325 7.875 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.468 8.790 -8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.935 7.328 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.138 6.646 -8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.439 7.572 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.762 8.627 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.444 9.040 -9.297 1.00 0.00 H new ATOM 1334 N ASP A 83 -9.326 12.794 -4.410 1.00 0.00 N ATOM 1335 CA ASP A 83 -10.359 13.782 -4.060 1.00 0.00 C ATOM 1336 C ASP A 83 -9.766 15.176 -3.788 1.00 0.00 C ATOM 1337 O ASP A 83 -10.345 16.191 -4.177 1.00 0.00 O ATOM 1338 CB ASP A 83 -11.170 13.308 -2.849 1.00 0.00 C ATOM 1339 CG ASP A 83 -12.244 14.299 -2.443 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -13.216 14.476 -3.205 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -12.124 14.905 -1.358 1.00 0.00 O ATOM 0 H ASP A 83 -9.189 12.062 -3.713 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.019 13.871 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.634 12.349 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.497 13.142 -2.008 1.00 0.00 H new ATOM 1346 N TRP A 84 -8.614 15.222 -3.127 1.00 0.00 N ATOM 1347 CA TRP A 84 -7.968 16.498 -2.825 1.00 0.00 C ATOM 1348 C TRP A 84 -6.875 16.776 -3.845 1.00 0.00 C ATOM 1349 O TRP A 84 -6.116 15.889 -4.190 1.00 0.00 O ATOM 1350 CB TRP A 84 -7.393 16.488 -1.399 1.00 0.00 C ATOM 1351 CG TRP A 84 -6.902 17.832 -0.937 1.00 0.00 C ATOM 1352 CD1 TRP A 84 -7.664 18.860 -0.459 1.00 0.00 C ATOM 1353 CD2 TRP A 84 -5.544 18.290 -0.897 1.00 0.00 C ATOM 1354 NE1 TRP A 84 -6.867 19.931 -0.137 1.00 0.00 N ATOM 1355 CE2 TRP A 84 -5.560 19.606 -0.394 1.00 0.00 C ATOM 1356 CE3 TRP A 84 -4.317 17.716 -1.241 1.00 0.00 C ATOM 1357 CZ2 TRP A 84 -4.398 20.355 -0.226 1.00 0.00 C ATOM 1358 CZ3 TRP A 84 -3.164 18.461 -1.073 1.00 0.00 C ATOM 1359 CH2 TRP A 84 -3.213 19.767 -0.570 1.00 0.00 C ATOM 0 H TRP A 84 -8.111 14.400 -2.792 1.00 0.00 H new ATOM 0 HA TRP A 84 -8.711 17.293 -2.882 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.160 16.134 -0.710 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.570 15.775 -1.353 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.738 18.834 -0.350 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.194 20.823 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -4.270 16.710 -1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.432 21.363 0.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.210 18.028 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.294 20.322 -0.451 1.00 0.00 H new ATOM 1370 N LYS A 85 -6.775 18.021 -4.291 1.00 0.00 N ATOM 1371 CA LYS A 85 -5.833 18.388 -5.350 1.00 0.00 C ATOM 1372 C LYS A 85 -5.912 17.397 -6.511 1.00 0.00 C ATOM 1373 O LYS A 85 -6.936 17.445 -7.252 1.00 0.00 O ATOM 1374 CB LYS A 85 -4.394 18.469 -4.803 1.00 0.00 C ATOM 1375 CG LYS A 85 -3.327 18.714 -5.867 1.00 0.00 C ATOM 1376 CD LYS A 85 -3.546 20.031 -6.592 1.00 0.00 C ATOM 1377 CE LYS A 85 -2.522 20.236 -7.700 1.00 0.00 C ATOM 1378 NZ LYS A 85 -1.151 20.441 -7.164 1.00 0.00 N ATOM 0 H LYS A 85 -7.334 18.798 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.111 19.374 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.344 19.269 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.164 17.540 -4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.342 18.715 -5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.337 17.896 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.550 20.052 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.483 20.854 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.526 19.370 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.808 21.098 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.502 20.660 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.157 21.231 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.833 19.575 -6.683 1.00 0.00 H new TER 1392 LYS A 85