USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 592 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 18 THR OG1 : rot -160:sc= 0.0652 USER MOD Set 1.2: A 21 ASN : amide:sc= 1.12 K(o=1.2,f=-2.4) USER MOD Single : A 0 SER OG : rot -150:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0528 (180deg=-0.39) USER MOD Single : A 2 SER OG : rot 102:sc= 0.278 USER MOD Single : A 3 TYR OH : rot 53:sc= 0.334 USER MOD Single : A 5 TYR OH : rot 54:sc= 0.623 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0.172 (180deg=0.151) USER MOD Single : A 13 THR OG1 : rot 75:sc= 0.35 USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= 1.67 (180deg=0.928) USER MOD Single : A 16 CYS SG : rot -110:sc= -0.166 USER MOD Single : A 19 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.58) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -148:sc= -0.138 (180deg=-2.35!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 34 SER OG : rot 162:sc= 1.31 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= 2.01 (180deg=1.78) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0368 (180deg=-0.274) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 58 ASN : amide:sc= -0.836 K(o=-0.84,f=-7!) USER MOD Single : A 60 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.8) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 30:sc= -0.0238 USER MOD Single : A 68 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.456) USER MOD Single : A 72 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 14.261 7.541 0.902 1.00 0.00 N ATOM 2 CA GLY A -1 14.821 8.865 0.709 1.00 0.00 C ATOM 3 C GLY A -1 14.837 9.250 -0.746 1.00 0.00 C ATOM 4 O GLY A -1 13.801 9.184 -1.419 1.00 0.00 O ATOM 0 H1 GLY A -1 14.265 7.307 1.915 1.00 0.00 H new ATOM 0 H2 GLY A -1 13.284 7.522 0.546 1.00 0.00 H new ATOM 0 H3 GLY A -1 14.832 6.844 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A -1 14.238 9.593 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A -1 15.836 8.893 1.105 1.00 0.00 H new ATOM 8 N SER A 0 16.010 9.652 -1.234 1.00 0.00 N ATOM 9 CA SER A 0 16.218 10.057 -2.626 1.00 0.00 C ATOM 10 C SER A 0 15.330 11.277 -2.992 1.00 0.00 C ATOM 11 O SER A 0 14.747 11.925 -2.110 1.00 0.00 O ATOM 12 CB SER A 0 15.944 8.864 -3.566 1.00 0.00 C ATOM 13 OG SER A 0 16.734 7.731 -3.200 1.00 0.00 O ATOM 0 H SER A 0 16.856 9.707 -0.666 1.00 0.00 H new ATOM 0 HA SER A 0 17.257 10.364 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 0 14.887 8.602 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 0 16.165 9.149 -4.595 1.00 0.00 H new ATOM 0 HG SER A 0 16.928 7.196 -3.998 1.00 0.00 H new ATOM 19 N MET A 1 15.225 11.581 -4.271 1.00 0.00 N ATOM 20 CA MET A 1 14.392 12.693 -4.748 1.00 0.00 C ATOM 21 C MET A 1 12.928 12.215 -4.931 1.00 0.00 C ATOM 22 O MET A 1 12.202 12.687 -5.804 1.00 0.00 O ATOM 23 CB MET A 1 14.974 13.241 -6.081 1.00 0.00 C ATOM 24 CG MET A 1 14.323 14.543 -6.579 1.00 0.00 C ATOM 25 SD MET A 1 14.998 15.136 -8.152 1.00 0.00 S ATOM 26 CE MET A 1 16.693 15.478 -7.695 1.00 0.00 C ATOM 0 H MET A 1 15.707 11.074 -5.013 1.00 0.00 H new ATOM 0 HA MET A 1 14.395 13.498 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.043 13.411 -5.952 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.863 12.478 -6.851 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.251 14.384 -6.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.453 15.317 -5.823 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.156 16.105 -8.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.714 15.997 -6.737 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.244 14.541 -7.612 1.00 0.00 H new ATOM 36 N SER A 2 12.503 11.294 -4.078 1.00 0.00 N ATOM 37 CA SER A 2 11.162 10.784 -4.112 1.00 0.00 C ATOM 38 C SER A 2 10.169 11.901 -3.808 1.00 0.00 C ATOM 39 O SER A 2 10.100 12.407 -2.686 1.00 0.00 O ATOM 40 CB SER A 2 11.005 9.617 -3.130 1.00 0.00 C ATOM 41 OG SER A 2 11.891 8.544 -3.466 1.00 0.00 O ATOM 0 H SER A 2 13.087 10.887 -3.347 1.00 0.00 H new ATOM 0 HA SER A 2 10.952 10.406 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.211 9.960 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.975 9.261 -3.144 1.00 0.00 H new ATOM 0 HG SER A 2 12.666 8.560 -2.867 1.00 0.00 H new ATOM 47 N TYR A 3 9.459 12.327 -4.831 1.00 0.00 N ATOM 48 CA TYR A 3 8.484 13.387 -4.687 1.00 0.00 C ATOM 49 C TYR A 3 7.343 12.928 -3.814 1.00 0.00 C ATOM 50 O TYR A 3 6.988 13.571 -2.827 1.00 0.00 O ATOM 51 CB TYR A 3 7.894 13.778 -6.032 1.00 0.00 C ATOM 52 CG TYR A 3 8.855 14.211 -7.105 1.00 0.00 C ATOM 53 CD1 TYR A 3 8.896 13.535 -8.311 1.00 0.00 C ATOM 54 CD2 TYR A 3 9.662 15.338 -6.952 1.00 0.00 C ATOM 55 CE1 TYR A 3 9.697 13.960 -9.336 1.00 0.00 C ATOM 56 CE2 TYR A 3 10.490 15.760 -7.979 1.00 0.00 C ATOM 57 CZ TYR A 3 10.492 15.062 -9.172 1.00 0.00 C ATOM 58 OH TYR A 3 11.264 15.484 -10.225 1.00 0.00 O ATOM 0 H TYR A 3 9.540 11.953 -5.777 1.00 0.00 H new ATOM 0 HA TYR A 3 8.999 14.239 -4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.325 12.929 -6.411 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.185 14.589 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.284 12.655 -8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.641 15.888 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.702 13.426 -10.275 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.126 16.623 -7.849 1.00 0.00 H new ATOM 0 HH TYR A 3 10.700 15.598 -11.019 1.00 0.00 H new ATOM 68 N ASP A 4 6.758 11.825 -4.256 1.00 0.00 N ATOM 69 CA ASP A 4 5.582 11.150 -3.652 1.00 0.00 C ATOM 70 C ASP A 4 4.513 12.148 -3.183 1.00 0.00 C ATOM 71 O ASP A 4 3.969 12.054 -2.087 1.00 0.00 O ATOM 72 CB ASP A 4 5.984 10.190 -2.537 1.00 0.00 C ATOM 73 CG ASP A 4 4.853 9.243 -2.170 1.00 0.00 C ATOM 74 OD1 ASP A 4 4.979 8.508 -1.169 1.00 0.00 O ATOM 75 OD2 ASP A 4 3.852 9.165 -2.912 1.00 0.00 O ATOM 0 H ASP A 4 7.095 11.339 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 4 5.130 10.553 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.854 9.613 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.281 10.760 -1.656 1.00 0.00 H new ATOM 80 N TYR A 5 4.282 13.144 -4.031 1.00 0.00 N ATOM 81 CA TYR A 5 3.264 14.182 -3.847 1.00 0.00 C ATOM 82 C TYR A 5 3.468 15.047 -2.610 1.00 0.00 C ATOM 83 O TYR A 5 2.641 15.892 -2.339 1.00 0.00 O ATOM 84 CB TYR A 5 1.851 13.600 -3.818 1.00 0.00 C ATOM 85 CG TYR A 5 1.490 12.796 -5.026 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.144 11.469 -4.901 1.00 0.00 C ATOM 87 CD2 TYR A 5 1.502 13.362 -6.289 1.00 0.00 C ATOM 88 CE1 TYR A 5 0.813 10.723 -5.995 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.173 12.620 -7.400 1.00 0.00 C ATOM 90 CZ TYR A 5 0.826 11.300 -7.245 1.00 0.00 C ATOM 91 OH TYR A 5 0.481 10.547 -8.335 1.00 0.00 O ATOM 0 H TYR A 5 4.813 13.258 -4.894 1.00 0.00 H new ATOM 0 HA TYR A 5 3.382 14.826 -4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.748 12.971 -2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.137 14.417 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.134 11.012 -3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.773 14.401 -6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.542 9.684 -5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.187 13.070 -8.382 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.398 10.139 -8.186 1.00 0.00 H new ATOM 101 N SER A 6 4.569 14.897 -1.899 1.00 0.00 N ATOM 102 CA SER A 6 4.757 15.660 -0.682 1.00 0.00 C ATOM 103 C SER A 6 4.923 17.147 -1.019 1.00 0.00 C ATOM 104 O SER A 6 4.350 18.021 -0.363 1.00 0.00 O ATOM 105 CB SER A 6 5.936 15.111 0.136 1.00 0.00 C ATOM 106 OG SER A 6 5.979 15.688 1.434 1.00 0.00 O ATOM 0 H SER A 6 5.334 14.266 -2.137 1.00 0.00 H new ATOM 0 HA SER A 6 3.871 15.558 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.849 14.028 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.870 15.316 -0.386 1.00 0.00 H new ATOM 0 HG SER A 6 6.738 15.318 1.931 1.00 0.00 H new ATOM 112 N SER A 7 5.629 17.418 -2.100 1.00 0.00 N ATOM 113 CA SER A 7 5.823 18.776 -2.559 1.00 0.00 C ATOM 114 C SER A 7 4.501 19.312 -3.145 1.00 0.00 C ATOM 115 O SER A 7 4.227 20.512 -3.118 1.00 0.00 O ATOM 116 CB SER A 7 6.953 18.802 -3.609 1.00 0.00 C ATOM 117 OG SER A 7 7.302 20.119 -3.992 1.00 0.00 O ATOM 0 H SER A 7 6.080 16.709 -2.679 1.00 0.00 H new ATOM 0 HA SER A 7 6.113 19.419 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.832 18.299 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.640 18.241 -4.490 1.00 0.00 H new ATOM 0 HG SER A 7 8.022 20.087 -4.656 1.00 0.00 H new ATOM 123 N LEU A 8 3.661 18.393 -3.595 1.00 0.00 N ATOM 124 CA LEU A 8 2.411 18.738 -4.234 1.00 0.00 C ATOM 125 C LEU A 8 1.375 19.053 -3.158 1.00 0.00 C ATOM 126 O LEU A 8 0.703 20.071 -3.221 1.00 0.00 O ATOM 127 CB LEU A 8 1.993 17.576 -5.199 1.00 0.00 C ATOM 128 CG LEU A 8 0.888 17.837 -6.260 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.866 16.713 -7.276 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.467 17.899 -5.626 1.00 0.00 C ATOM 0 H LEU A 8 3.831 17.390 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 8 2.504 19.633 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.888 17.251 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.666 16.738 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 8 1.117 18.790 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.088 16.906 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.834 16.654 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.660 15.769 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.219 18.083 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.679 16.953 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.490 18.707 -4.895 1.00 0.00 H new ATOM 142 N LEU A 9 1.314 18.208 -2.147 1.00 0.00 N ATOM 143 CA LEU A 9 0.392 18.367 -1.037 1.00 0.00 C ATOM 144 C LEU A 9 0.733 19.656 -0.264 1.00 0.00 C ATOM 145 O LEU A 9 -0.159 20.384 0.174 1.00 0.00 O ATOM 146 CB LEU A 9 0.480 17.136 -0.116 1.00 0.00 C ATOM 147 CG LEU A 9 -0.843 16.600 0.463 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.596 15.368 1.313 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.592 17.655 1.263 1.00 0.00 C ATOM 0 H LEU A 9 1.909 17.383 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.629 18.448 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.957 16.330 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.139 17.382 0.717 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.473 16.327 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.543 15.006 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.138 14.590 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.071 15.622 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.518 17.229 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.971 17.990 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.825 18.503 0.619 1.00 0.00 H new ATOM 161 N GLY A 10 2.031 19.938 -0.126 1.00 0.00 N ATOM 162 CA GLY A 10 2.471 21.167 0.531 1.00 0.00 C ATOM 163 C GLY A 10 1.987 22.401 -0.209 1.00 0.00 C ATOM 164 O GLY A 10 1.509 23.364 0.400 1.00 0.00 O ATOM 0 H GLY A 10 2.787 19.338 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.098 21.186 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.559 21.180 0.588 1.00 0.00 H new ATOM 168 N LYS A 11 2.060 22.335 -1.526 1.00 0.00 N ATOM 169 CA LYS A 11 1.649 23.390 -2.394 1.00 0.00 C ATOM 170 C LYS A 11 0.122 23.565 -2.276 1.00 0.00 C ATOM 171 O LYS A 11 -0.390 24.689 -2.282 1.00 0.00 O ATOM 172 CB LYS A 11 2.053 22.971 -3.798 1.00 0.00 C ATOM 173 CG LYS A 11 1.888 23.989 -4.885 1.00 0.00 C ATOM 174 CD LYS A 11 2.968 25.070 -4.879 1.00 0.00 C ATOM 175 CE LYS A 11 2.829 25.934 -6.127 1.00 0.00 C ATOM 176 NZ LYS A 11 3.926 26.911 -6.311 1.00 0.00 N ATOM 0 H LYS A 11 2.418 21.518 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 11 2.111 24.344 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.100 22.668 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.472 22.089 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.898 23.483 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.911 24.462 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.876 25.686 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.956 24.611 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.784 25.285 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.882 26.472 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.845 27.352 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.864 27.645 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.841 26.423 -6.236 1.00 0.00 H new ATOM 190 N ILE A 12 -0.584 22.440 -2.141 1.00 0.00 N ATOM 191 CA ILE A 12 -2.029 22.429 -1.944 1.00 0.00 C ATOM 192 C ILE A 12 -2.408 23.148 -0.651 1.00 0.00 C ATOM 193 O ILE A 12 -3.276 24.012 -0.653 1.00 0.00 O ATOM 194 CB ILE A 12 -2.608 20.982 -1.896 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.400 20.261 -3.225 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.084 21.000 -1.537 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.902 18.830 -3.232 1.00 0.00 C ATOM 0 H ILE A 12 -0.165 21.510 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.458 22.948 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.068 20.438 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.908 20.818 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.337 20.264 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.464 19.979 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.215 21.462 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.633 21.572 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.719 18.385 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.377 18.256 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.972 18.819 -3.023 1.00 0.00 H new ATOM 209 N THR A 13 -1.759 22.795 0.439 1.00 0.00 N ATOM 210 CA THR A 13 -2.047 23.386 1.733 1.00 0.00 C ATOM 211 C THR A 13 -1.868 24.908 1.709 1.00 0.00 C ATOM 212 O THR A 13 -2.700 25.655 2.232 1.00 0.00 O ATOM 213 CB THR A 13 -1.150 22.769 2.824 1.00 0.00 C ATOM 214 OG1 THR A 13 -1.309 21.341 2.811 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.522 23.304 4.204 1.00 0.00 C ATOM 0 H THR A 13 -1.019 22.093 0.455 1.00 0.00 H new ATOM 0 HA THR A 13 -3.090 23.170 1.965 1.00 0.00 H new ATOM 0 HB THR A 13 -0.114 23.038 2.617 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.840 20.967 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.874 22.853 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.397 24.387 4.220 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.560 23.055 4.423 1.00 0.00 H new ATOM 223 N GLU A 14 -0.842 25.346 1.042 1.00 0.00 N ATOM 224 CA GLU A 14 -0.494 26.717 0.993 1.00 0.00 C ATOM 225 C GLU A 14 -1.461 27.524 0.128 1.00 0.00 C ATOM 226 O GLU A 14 -1.686 28.711 0.369 1.00 0.00 O ATOM 227 CB GLU A 14 0.876 26.791 0.405 1.00 0.00 C ATOM 228 CG GLU A 14 1.726 27.891 0.937 1.00 0.00 C ATOM 229 CD GLU A 14 1.885 27.814 2.433 1.00 0.00 C ATOM 230 OE1 GLU A 14 2.714 27.026 2.912 1.00 0.00 O ATOM 231 OE2 GLU A 14 1.178 28.537 3.158 1.00 0.00 O ATOM 0 H GLU A 14 -0.217 24.741 0.509 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.536 27.141 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.383 25.842 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.787 26.910 -0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.708 27.849 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.285 28.851 0.669 1.00 0.00 H new ATOM 238 N LYS A 15 -2.010 26.894 -0.875 1.00 0.00 N ATOM 239 CA LYS A 15 -2.831 27.576 -1.813 1.00 0.00 C ATOM 240 C LYS A 15 -4.297 27.386 -1.603 1.00 0.00 C ATOM 241 O LYS A 15 -5.100 28.296 -1.859 1.00 0.00 O ATOM 242 CB LYS A 15 -2.476 27.118 -3.183 1.00 0.00 C ATOM 243 CG LYS A 15 -1.870 28.217 -3.990 1.00 0.00 C ATOM 244 CD LYS A 15 -0.578 28.673 -3.344 1.00 0.00 C ATOM 245 CE LYS A 15 -0.107 29.974 -3.916 1.00 0.00 C ATOM 246 NZ LYS A 15 0.111 29.876 -5.363 1.00 0.00 N ATOM 0 H LYS A 15 -1.896 25.897 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.639 28.640 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.776 26.285 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.369 26.746 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.678 27.872 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.566 29.053 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.725 28.779 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.190 27.912 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.843 30.751 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.820 30.274 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.725 30.656 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.566 28.967 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.803 29.936 -5.857 1.00 0.00 H new ATOM 260 N CYS A 16 -4.649 26.235 -1.197 1.00 0.00 N ATOM 261 CA CYS A 16 -5.976 25.875 -1.048 1.00 0.00 C ATOM 262 C CYS A 16 -6.275 25.612 0.389 1.00 0.00 C ATOM 263 O CYS A 16 -7.291 26.045 0.894 1.00 0.00 O ATOM 264 CB CYS A 16 -6.223 24.643 -1.877 1.00 0.00 C ATOM 265 SG CYS A 16 -6.123 24.901 -3.658 1.00 0.00 S ATOM 0 H CYS A 16 -3.988 25.497 -0.953 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.629 26.681 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.499 23.879 -1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.211 24.251 -1.635 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.310 24.800 -4.178 1.00 0.00 H new ATOM 271 N GLY A 17 -5.381 24.934 1.056 1.00 0.00 N ATOM 272 CA GLY A 17 -5.632 24.584 2.406 1.00 0.00 C ATOM 273 C GLY A 17 -5.510 23.118 2.614 1.00 0.00 C ATOM 274 O GLY A 17 -4.636 22.637 3.327 1.00 0.00 O ATOM 0 H GLY A 17 -4.485 24.621 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.930 25.106 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.632 24.912 2.689 1.00 0.00 H new ATOM 278 N THR A 18 -6.379 22.411 1.974 1.00 0.00 N ATOM 279 CA THR A 18 -6.451 20.971 2.067 1.00 0.00 C ATOM 280 C THR A 18 -6.764 20.422 0.697 1.00 0.00 C ATOM 281 O THR A 18 -7.054 21.201 -0.236 1.00 0.00 O ATOM 282 CB THR A 18 -7.593 20.546 3.023 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.850 21.001 2.497 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.389 21.152 4.386 1.00 0.00 C ATOM 0 H THR A 18 -7.080 22.817 1.354 1.00 0.00 H new ATOM 0 HA THR A 18 -5.501 20.591 2.444 1.00 0.00 H new ATOM 0 HB THR A 18 -7.591 19.459 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.516 21.025 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.200 20.844 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.438 20.813 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.381 22.239 4.304 1.00 0.00 H new ATOM 292 N GLN A 19 -6.752 19.116 0.568 1.00 0.00 N ATOM 293 CA GLN A 19 -7.077 18.460 -0.678 1.00 0.00 C ATOM 294 C GLN A 19 -8.574 18.609 -0.982 1.00 0.00 C ATOM 295 O GLN A 19 -8.985 18.589 -2.136 1.00 0.00 O ATOM 296 CB GLN A 19 -6.645 17.002 -0.625 1.00 0.00 C ATOM 297 CG GLN A 19 -5.124 16.827 -0.522 1.00 0.00 C ATOM 298 CD GLN A 19 -4.665 15.385 -0.322 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.594 14.996 -0.776 1.00 0.00 O ATOM 300 NE2 GLN A 19 -5.425 14.601 0.394 1.00 0.00 N ATOM 0 H GLN A 19 -6.516 18.476 1.326 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.532 18.935 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.119 16.520 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.004 16.491 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.664 17.219 -1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.757 17.430 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.312 14.947 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.132 13.643 0.586 1.00 0.00 H new ATOM 309 N TYR A 20 -9.368 18.798 0.067 1.00 0.00 N ATOM 310 CA TYR A 20 -10.797 19.073 -0.065 1.00 0.00 C ATOM 311 C TYR A 20 -10.978 20.398 -0.762 1.00 0.00 C ATOM 312 O TYR A 20 -11.665 20.509 -1.769 1.00 0.00 O ATOM 313 CB TYR A 20 -11.430 19.179 1.312 1.00 0.00 C ATOM 314 CG TYR A 20 -12.929 19.414 1.284 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.465 20.636 1.673 1.00 0.00 C ATOM 316 CD2 TYR A 20 -13.803 18.425 0.857 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.822 20.863 1.644 1.00 0.00 C ATOM 318 CE2 TYR A 20 -15.164 18.648 0.823 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.667 19.867 1.219 1.00 0.00 C ATOM 320 OH TYR A 20 -17.032 20.089 1.193 1.00 0.00 O ATOM 0 H TYR A 20 -9.041 18.765 1.032 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.265 18.268 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.226 18.263 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.955 19.994 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.804 21.423 2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.413 17.467 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.220 21.818 1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.833 17.869 0.487 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.488 19.285 0.866 1.00 0.00 H new ATOM 330 N ASN A 21 -10.352 21.393 -0.191 1.00 0.00 N ATOM 331 CA ASN A 21 -10.352 22.764 -0.716 1.00 0.00 C ATOM 332 C ASN A 21 -9.858 22.771 -2.166 1.00 0.00 C ATOM 333 O ASN A 21 -10.387 23.493 -3.028 1.00 0.00 O ATOM 334 CB ASN A 21 -9.420 23.634 0.125 1.00 0.00 C ATOM 335 CG ASN A 21 -9.861 23.874 1.571 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.602 23.088 2.163 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.358 24.922 2.162 1.00 0.00 N ATOM 0 H ASN A 21 -9.813 21.288 0.669 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.368 23.156 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.433 23.171 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.312 24.600 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.575 25.109 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.747 25.555 1.645 1.00 0.00 H new ATOM 344 N PHE A 22 -8.837 21.961 -2.407 1.00 0.00 N ATOM 345 CA PHE A 22 -8.252 21.752 -3.731 1.00 0.00 C ATOM 346 C PHE A 22 -9.299 21.211 -4.674 1.00 0.00 C ATOM 347 O PHE A 22 -9.507 21.741 -5.755 1.00 0.00 O ATOM 348 CB PHE A 22 -7.133 20.735 -3.613 1.00 0.00 C ATOM 349 CG PHE A 22 -6.357 20.475 -4.876 1.00 0.00 C ATOM 350 CD1 PHE A 22 -5.700 21.500 -5.533 1.00 0.00 C ATOM 351 CD2 PHE A 22 -6.277 19.193 -5.396 1.00 0.00 C ATOM 352 CE1 PHE A 22 -4.980 21.251 -6.686 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.559 18.939 -6.548 1.00 0.00 C ATOM 354 CZ PHE A 22 -4.910 19.970 -7.193 1.00 0.00 C ATOM 0 H PHE A 22 -8.380 21.418 -1.675 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.872 22.699 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.439 21.073 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.557 19.792 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.750 22.505 -5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.783 18.382 -4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.472 22.060 -7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.506 17.935 -6.943 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.347 19.775 -8.094 1.00 0.00 H new ATOM 364 N ALA A 23 -9.933 20.143 -4.242 1.00 0.00 N ATOM 365 CA ALA A 23 -11.017 19.477 -4.982 1.00 0.00 C ATOM 366 C ALA A 23 -12.074 20.472 -5.443 1.00 0.00 C ATOM 367 O ALA A 23 -12.486 20.451 -6.611 1.00 0.00 O ATOM 368 CB ALA A 23 -11.661 18.405 -4.121 1.00 0.00 C ATOM 0 H ALA A 23 -9.716 19.694 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.577 19.016 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.461 17.921 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.912 17.663 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.073 18.860 -3.220 1.00 0.00 H new ATOM 374 N ILE A 24 -12.475 21.356 -4.534 1.00 0.00 N ATOM 375 CA ILE A 24 -13.456 22.397 -4.815 1.00 0.00 C ATOM 376 C ILE A 24 -12.978 23.291 -5.941 1.00 0.00 C ATOM 377 O ILE A 24 -13.707 23.577 -6.885 1.00 0.00 O ATOM 378 CB ILE A 24 -13.705 23.264 -3.578 1.00 0.00 C ATOM 379 CG1 ILE A 24 -14.126 22.348 -2.444 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.782 24.327 -3.874 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.698 23.051 -1.273 1.00 0.00 C ATOM 0 H ILE A 24 -12.126 21.369 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.383 21.901 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.798 23.800 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.861 21.637 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.261 21.770 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.947 24.935 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.448 24.965 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.713 23.834 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.972 22.323 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.959 23.742 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.584 23.607 -1.579 1.00 0.00 H new ATOM 393 N ALA A 25 -11.733 23.688 -5.843 1.00 0.00 N ATOM 394 CA ALA A 25 -11.104 24.556 -6.832 1.00 0.00 C ATOM 395 C ALA A 25 -11.014 23.865 -8.189 1.00 0.00 C ATOM 396 O ALA A 25 -11.210 24.489 -9.238 1.00 0.00 O ATOM 397 CB ALA A 25 -9.721 24.965 -6.365 1.00 0.00 C ATOM 0 H ALA A 25 -11.117 23.422 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.722 25.447 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.262 25.613 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.800 25.501 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.106 24.076 -6.228 1.00 0.00 H new ATOM 403 N MET A 26 -10.718 22.588 -8.152 1.00 0.00 N ATOM 404 CA MET A 26 -10.606 21.759 -9.348 1.00 0.00 C ATOM 405 C MET A 26 -11.967 21.557 -10.005 1.00 0.00 C ATOM 406 O MET A 26 -12.109 21.655 -11.230 1.00 0.00 O ATOM 407 CB MET A 26 -10.016 20.390 -8.982 1.00 0.00 C ATOM 408 CG MET A 26 -8.574 20.424 -8.512 1.00 0.00 C ATOM 409 SD MET A 26 -7.416 20.805 -9.835 1.00 0.00 S ATOM 410 CE MET A 26 -7.597 19.345 -10.865 1.00 0.00 C ATOM 0 H MET A 26 -10.544 22.081 -7.284 1.00 0.00 H new ATOM 0 HA MET A 26 -9.950 22.271 -10.052 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.628 19.944 -8.198 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.085 19.736 -9.851 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.472 21.167 -7.721 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.316 19.459 -8.077 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.648 19.124 -11.354 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.892 18.498 -10.246 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.361 19.526 -11.621 1.00 0.00 H new ATOM 420 N GLY A 27 -12.961 21.307 -9.191 1.00 0.00 N ATOM 421 CA GLY A 27 -14.283 21.008 -9.689 1.00 0.00 C ATOM 422 C GLY A 27 -14.523 19.522 -9.648 1.00 0.00 C ATOM 423 O GLY A 27 -15.305 18.964 -10.436 1.00 0.00 O ATOM 0 H GLY A 27 -12.881 21.304 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.032 21.523 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.388 21.374 -10.710 1.00 0.00 H new ATOM 427 N LEU A 28 -13.830 18.872 -8.748 1.00 0.00 N ATOM 428 CA LEU A 28 -13.931 17.448 -8.567 1.00 0.00 C ATOM 429 C LEU A 28 -14.366 17.160 -7.181 1.00 0.00 C ATOM 430 O LEU A 28 -14.340 18.026 -6.312 1.00 0.00 O ATOM 431 CB LEU A 28 -12.588 16.705 -8.805 1.00 0.00 C ATOM 432 CG LEU A 28 -12.150 16.415 -10.244 1.00 0.00 C ATOM 433 CD1 LEU A 28 -11.947 17.681 -11.016 1.00 0.00 C ATOM 434 CD2 LEU A 28 -10.880 15.584 -10.243 1.00 0.00 C ATOM 0 H LEU A 28 -13.172 19.323 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.651 17.092 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.799 17.289 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.640 15.753 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.944 15.851 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.637 17.441 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.880 18.243 -11.044 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.176 18.282 -10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.576 15.383 -11.270 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.088 16.130 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.062 14.641 -9.727 1.00 0.00 H new ATOM 446 N SER A 29 -14.749 15.967 -6.981 1.00 0.00 N ATOM 447 CA SER A 29 -15.074 15.497 -5.683 1.00 0.00 C ATOM 448 C SER A 29 -13.787 15.060 -5.016 1.00 0.00 C ATOM 449 O SER A 29 -12.918 14.502 -5.693 1.00 0.00 O ATOM 450 CB SER A 29 -16.040 14.356 -5.803 1.00 0.00 C ATOM 451 OG SER A 29 -17.199 14.779 -6.508 1.00 0.00 O ATOM 0 H SER A 29 -14.851 15.270 -7.719 1.00 0.00 H new ATOM 0 HA SER A 29 -15.545 16.275 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.570 13.523 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.317 13.996 -4.812 1.00 0.00 H new ATOM 0 HG SER A 29 -17.826 14.030 -6.585 1.00 0.00 H new ATOM 457 N GLU A 30 -13.668 15.323 -3.721 1.00 0.00 N ATOM 458 CA GLU A 30 -12.463 15.046 -2.919 1.00 0.00 C ATOM 459 C GLU A 30 -11.921 13.651 -3.186 1.00 0.00 C ATOM 460 O GLU A 30 -10.743 13.491 -3.510 1.00 0.00 O ATOM 461 CB GLU A 30 -12.799 15.285 -1.414 1.00 0.00 C ATOM 462 CG GLU A 30 -11.676 15.057 -0.385 1.00 0.00 C ATOM 463 CD GLU A 30 -11.414 13.595 -0.050 1.00 0.00 C ATOM 464 OE1 GLU A 30 -12.175 13.010 0.748 1.00 0.00 O ATOM 465 OE2 GLU A 30 -10.417 13.028 -0.530 1.00 0.00 O ATOM 0 H GLU A 30 -14.420 15.745 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.663 15.728 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.148 16.312 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.633 14.635 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.756 15.500 -0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.929 15.587 0.533 1.00 0.00 H new ATOM 472 N ARG A 31 -12.795 12.671 -3.134 1.00 0.00 N ATOM 473 CA ARG A 31 -12.417 11.284 -3.314 1.00 0.00 C ATOM 474 C ARG A 31 -11.825 11.063 -4.688 1.00 0.00 C ATOM 475 O ARG A 31 -10.841 10.377 -4.839 1.00 0.00 O ATOM 476 CB ARG A 31 -13.631 10.397 -3.164 1.00 0.00 C ATOM 477 CG ARG A 31 -13.310 8.908 -2.997 1.00 0.00 C ATOM 478 CD ARG A 31 -12.506 8.637 -1.726 1.00 0.00 C ATOM 479 NE ARG A 31 -12.096 7.233 -1.610 1.00 0.00 N ATOM 480 CZ ARG A 31 -11.214 6.765 -0.710 1.00 0.00 C ATOM 481 NH1 ARG A 31 -10.728 7.573 0.231 1.00 0.00 N ATOM 482 NH2 ARG A 31 -10.838 5.484 -0.745 1.00 0.00 N ATOM 0 H ARG A 31 -13.791 12.812 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.673 11.036 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.206 10.731 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.268 10.523 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.238 8.338 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.748 8.558 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.621 9.273 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.104 8.911 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.510 6.564 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.025 8.548 0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.059 7.217 0.913 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.220 4.860 -1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.169 5.130 -0.062 1.00 0.00 H new ATOM 496 N THR A 32 -12.396 11.714 -5.655 1.00 0.00 N ATOM 497 CA THR A 32 -12.026 11.536 -7.041 1.00 0.00 C ATOM 498 C THR A 32 -10.615 12.051 -7.274 1.00 0.00 C ATOM 499 O THR A 32 -9.802 11.399 -7.948 1.00 0.00 O ATOM 500 CB THR A 32 -13.002 12.288 -7.959 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.350 11.971 -7.575 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.789 11.891 -9.415 1.00 0.00 C ATOM 0 H THR A 32 -13.142 12.394 -5.510 1.00 0.00 H new ATOM 0 HA THR A 32 -12.068 10.472 -7.274 1.00 0.00 H new ATOM 0 HB THR A 32 -12.822 13.358 -7.859 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.977 12.450 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.491 12.435 -10.047 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.769 12.133 -9.713 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.955 10.820 -9.528 1.00 0.00 H new ATOM 510 N VAL A 33 -10.324 13.200 -6.681 1.00 0.00 N ATOM 511 CA VAL A 33 -9.037 13.812 -6.780 1.00 0.00 C ATOM 512 C VAL A 33 -8.061 12.933 -6.112 1.00 0.00 C ATOM 513 O VAL A 33 -7.017 12.623 -6.661 1.00 0.00 O ATOM 514 CB VAL A 33 -8.957 15.123 -6.018 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.887 15.958 -6.562 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.222 15.843 -6.012 1.00 0.00 C ATOM 0 H VAL A 33 -10.991 13.726 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.845 13.979 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.730 14.881 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.839 16.895 -6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.935 15.434 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.088 16.168 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.109 16.772 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.517 16.069 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.989 15.228 -5.541 1.00 0.00 H new ATOM 526 N SER A 34 -8.424 12.517 -4.927 1.00 0.00 N ATOM 527 CA SER A 34 -7.576 11.737 -4.131 1.00 0.00 C ATOM 528 C SER A 34 -7.264 10.380 -4.787 1.00 0.00 C ATOM 529 O SER A 34 -6.162 9.885 -4.680 1.00 0.00 O ATOM 530 CB SER A 34 -8.134 11.595 -2.725 1.00 0.00 C ATOM 531 OG SER A 34 -8.302 12.877 -2.134 1.00 0.00 O ATOM 0 H SER A 34 -9.329 12.723 -4.503 1.00 0.00 H new ATOM 0 HA SER A 34 -6.621 12.255 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.090 11.072 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.460 10.991 -2.117 1.00 0.00 H new ATOM 0 HG SER A 34 -8.909 12.807 -1.368 1.00 0.00 H new ATOM 537 N LEU A 35 -8.229 9.813 -5.508 1.00 0.00 N ATOM 538 CA LEU A 35 -8.006 8.560 -6.211 1.00 0.00 C ATOM 539 C LEU A 35 -7.058 8.769 -7.391 1.00 0.00 C ATOM 540 O LEU A 35 -6.193 7.914 -7.670 1.00 0.00 O ATOM 541 CB LEU A 35 -9.319 7.932 -6.688 1.00 0.00 C ATOM 542 CG LEU A 35 -10.347 7.603 -5.609 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.556 6.913 -6.205 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.743 6.772 -4.494 1.00 0.00 C ATOM 0 H LEU A 35 -9.166 10.201 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.547 7.868 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.782 8.611 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.083 7.014 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.674 8.546 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.273 6.689 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.021 7.567 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.245 5.986 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.506 6.558 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.363 5.836 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.925 7.324 -4.031 1.00 0.00 H new ATOM 556 N LYS A 36 -7.226 9.903 -8.085 1.00 0.00 N ATOM 557 CA LYS A 36 -6.363 10.291 -9.182 1.00 0.00 C ATOM 558 C LYS A 36 -4.972 10.601 -8.711 1.00 0.00 C ATOM 559 O LYS A 36 -3.999 10.369 -9.405 1.00 0.00 O ATOM 560 CB LYS A 36 -6.924 11.496 -9.849 1.00 0.00 C ATOM 561 CG LYS A 36 -8.016 11.181 -10.811 1.00 0.00 C ATOM 562 CD LYS A 36 -8.848 12.375 -10.991 1.00 0.00 C ATOM 563 CE LYS A 36 -9.964 12.146 -11.983 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.479 12.082 -13.381 1.00 0.00 N ATOM 0 H LYS A 36 -7.971 10.572 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.311 9.454 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.304 12.179 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.124 12.017 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.597 10.865 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.620 10.353 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.272 12.669 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.225 13.202 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.478 11.217 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.696 12.949 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.171 11.571 -13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.358 13.046 -13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.567 11.583 -13.409 1.00 0.00 H new ATOM 578 N LEU A 37 -4.901 11.162 -7.548 1.00 0.00 N ATOM 579 CA LEU A 37 -3.665 11.507 -6.942 1.00 0.00 C ATOM 580 C LEU A 37 -2.966 10.276 -6.474 1.00 0.00 C ATOM 581 O LEU A 37 -1.872 9.994 -6.902 1.00 0.00 O ATOM 582 CB LEU A 37 -3.911 12.457 -5.761 1.00 0.00 C ATOM 583 CG LEU A 37 -2.715 12.967 -5.002 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.083 14.101 -5.716 1.00 0.00 C ATOM 585 CD2 LEU A 37 -3.080 13.337 -3.587 1.00 0.00 C ATOM 0 H LEU A 37 -5.719 11.396 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.036 12.011 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.461 13.320 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.563 11.947 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.983 12.161 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.221 14.453 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.758 13.774 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.804 14.912 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.194 13.701 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.841 14.118 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.469 12.460 -3.070 1.00 0.00 H new ATOM 597 N ASN A 38 -3.658 9.504 -5.681 1.00 0.00 N ATOM 598 CA ASN A 38 -3.062 8.419 -4.968 1.00 0.00 C ATOM 599 C ASN A 38 -2.483 7.350 -5.868 1.00 0.00 C ATOM 600 O ASN A 38 -1.264 7.161 -5.886 1.00 0.00 O ATOM 601 CB ASN A 38 -4.032 7.778 -3.966 1.00 0.00 C ATOM 602 CG ASN A 38 -3.380 6.673 -3.139 1.00 0.00 C ATOM 603 OD1 ASN A 38 -2.177 6.715 -2.845 1.00 0.00 O ATOM 604 ND2 ASN A 38 -4.156 5.691 -2.765 1.00 0.00 N ATOM 0 H ASN A 38 -4.658 9.615 -5.514 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.235 8.872 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.418 8.547 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.886 7.367 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.776 4.923 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.142 5.692 -3.027 1.00 0.00 H new ATOM 611 N ASP A 39 -3.341 6.677 -6.647 1.00 0.00 N ATOM 612 CA ASP A 39 -2.873 5.496 -7.400 1.00 0.00 C ATOM 613 C ASP A 39 -3.944 4.871 -8.322 1.00 0.00 C ATOM 614 O ASP A 39 -3.610 4.112 -9.229 1.00 0.00 O ATOM 615 CB ASP A 39 -2.340 4.412 -6.396 1.00 0.00 C ATOM 616 CG ASP A 39 -1.963 3.069 -7.014 1.00 0.00 C ATOM 617 OD1 ASP A 39 -2.785 2.126 -6.948 1.00 0.00 O ATOM 618 OD2 ASP A 39 -0.843 2.918 -7.556 1.00 0.00 O ATOM 0 H ASP A 39 -4.325 6.914 -6.773 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.076 5.846 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.465 4.815 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.102 4.241 -5.636 1.00 0.00 H new ATOM 623 N LYS A 40 -5.219 5.215 -8.149 1.00 0.00 N ATOM 624 CA LYS A 40 -6.236 4.505 -8.852 1.00 0.00 C ATOM 625 C LYS A 40 -6.366 5.035 -10.217 1.00 0.00 C ATOM 626 O LYS A 40 -6.471 4.285 -11.188 1.00 0.00 O ATOM 627 CB LYS A 40 -7.577 4.688 -8.188 1.00 0.00 C ATOM 628 CG LYS A 40 -7.617 4.439 -6.676 1.00 0.00 C ATOM 629 CD LYS A 40 -7.216 3.010 -6.289 1.00 0.00 C ATOM 630 CE LYS A 40 -8.096 1.966 -6.967 1.00 0.00 C ATOM 631 NZ LYS A 40 -7.832 0.602 -6.470 1.00 0.00 N ATOM 0 H LYS A 40 -5.547 5.964 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.952 3.453 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.919 5.706 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.291 4.018 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.949 5.144 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.623 4.640 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.175 2.839 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.285 2.895 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.144 2.214 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.928 1.997 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.454 -0.072 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.839 0.352 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.017 0.563 -5.447 1.00 0.00 H new ATOM 645 N VAL A 41 -6.351 6.323 -10.316 1.00 0.00 N ATOM 646 CA VAL A 41 -6.675 6.902 -11.542 1.00 0.00 C ATOM 647 C VAL A 41 -5.637 7.939 -11.843 1.00 0.00 C ATOM 648 O VAL A 41 -4.706 8.114 -11.071 1.00 0.00 O ATOM 649 CB VAL A 41 -8.060 7.598 -11.492 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.841 7.139 -12.633 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.832 7.358 -10.213 1.00 0.00 C ATOM 0 H VAL A 41 -6.119 6.973 -9.565 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.710 6.124 -12.304 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.881 8.673 -11.527 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.821 7.616 -12.619 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.324 7.400 -13.556 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.963 6.057 -12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.788 7.880 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.008 6.289 -10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.257 7.732 -9.366 1.00 0.00 H new ATOM 661 N THR A 42 -5.800 8.623 -12.922 1.00 0.00 N ATOM 662 CA THR A 42 -4.917 9.677 -13.302 1.00 0.00 C ATOM 663 C THR A 42 -5.736 10.907 -13.625 1.00 0.00 C ATOM 664 O THR A 42 -6.969 10.810 -13.852 1.00 0.00 O ATOM 665 CB THR A 42 -4.052 9.268 -14.521 1.00 0.00 C ATOM 666 OG1 THR A 42 -4.870 8.619 -15.507 1.00 0.00 O ATOM 667 CG2 THR A 42 -2.909 8.350 -14.112 1.00 0.00 C ATOM 0 H THR A 42 -6.564 8.465 -13.579 1.00 0.00 H new ATOM 0 HA THR A 42 -4.239 9.891 -12.476 1.00 0.00 H new ATOM 0 HB THR A 42 -3.620 10.175 -14.944 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.317 8.365 -16.275 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.324 8.084 -14.992 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.270 8.863 -13.393 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.314 7.445 -13.658 1.00 0.00 H new ATOM 675 N TRP A 43 -5.116 12.047 -13.596 1.00 0.00 N ATOM 676 CA TRP A 43 -5.795 13.254 -13.958 1.00 0.00 C ATOM 677 C TRP A 43 -5.727 13.378 -15.443 1.00 0.00 C ATOM 678 O TRP A 43 -4.750 12.924 -16.064 1.00 0.00 O ATOM 679 CB TRP A 43 -5.102 14.486 -13.383 1.00 0.00 C ATOM 680 CG TRP A 43 -4.853 14.466 -11.923 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.667 14.936 -10.936 1.00 0.00 C ATOM 682 CD2 TRP A 43 -3.680 13.977 -11.286 1.00 0.00 C ATOM 683 NE1 TRP A 43 -5.064 14.760 -9.717 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.839 14.175 -9.914 1.00 0.00 C ATOM 685 CE3 TRP A 43 -2.502 13.382 -11.755 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.872 13.809 -9.004 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.540 13.013 -10.845 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.730 13.229 -9.482 1.00 0.00 C ATOM 0 H TRP A 43 -4.140 12.167 -13.325 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.814 13.205 -13.575 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.147 14.613 -13.893 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.707 15.362 -13.617 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.639 15.380 -11.091 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.460 15.021 -8.814 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.352 13.216 -12.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.012 13.975 -7.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.627 12.551 -11.190 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.958 12.932 -8.788 1.00 0.00 H new ATOM 699 N LYS A 44 -6.724 13.952 -16.019 1.00 0.00 N ATOM 700 CA LYS A 44 -6.671 14.271 -17.391 1.00 0.00 C ATOM 701 C LYS A 44 -5.805 15.501 -17.482 1.00 0.00 C ATOM 702 O LYS A 44 -5.734 16.272 -16.512 1.00 0.00 O ATOM 703 CB LYS A 44 -8.070 14.570 -17.933 1.00 0.00 C ATOM 704 CG LYS A 44 -9.095 13.466 -17.695 1.00 0.00 C ATOM 705 CD LYS A 44 -8.629 12.143 -18.269 1.00 0.00 C ATOM 706 CE LYS A 44 -9.681 11.058 -18.114 1.00 0.00 C ATOM 707 NZ LYS A 44 -10.914 11.374 -18.856 1.00 0.00 N ATOM 0 H LYS A 44 -7.592 14.210 -15.550 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.274 13.444 -17.979 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.434 15.490 -17.474 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.998 14.755 -19.005 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.273 13.357 -16.625 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.045 13.746 -18.149 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.390 12.269 -19.325 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.711 11.833 -17.769 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.278 10.109 -18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.917 10.930 -17.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.507 10.522 -18.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.437 12.121 -18.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.669 11.702 -19.812 1.00 0.00 H new ATOM 721 N ASP A 45 -5.152 15.709 -18.592 1.00 0.00 N ATOM 722 CA ASP A 45 -4.267 16.864 -18.728 1.00 0.00 C ATOM 723 C ASP A 45 -5.023 18.150 -18.567 1.00 0.00 C ATOM 724 O ASP A 45 -4.517 19.110 -18.006 1.00 0.00 O ATOM 725 CB ASP A 45 -3.524 16.857 -20.018 1.00 0.00 C ATOM 726 CG ASP A 45 -2.494 15.754 -20.125 1.00 0.00 C ATOM 727 OD1 ASP A 45 -1.305 16.014 -19.854 1.00 0.00 O ATOM 728 OD2 ASP A 45 -2.861 14.596 -20.493 1.00 0.00 O ATOM 0 H ASP A 45 -5.205 15.109 -19.415 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.532 16.789 -17.926 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.237 16.756 -20.836 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.027 17.819 -20.145 1.00 0.00 H new ATOM 733 N ASP A 46 -6.274 18.132 -18.995 1.00 0.00 N ATOM 734 CA ASP A 46 -7.165 19.285 -18.871 1.00 0.00 C ATOM 735 C ASP A 46 -7.485 19.573 -17.408 1.00 0.00 C ATOM 736 O ASP A 46 -7.730 20.727 -17.036 1.00 0.00 O ATOM 737 CB ASP A 46 -8.460 19.088 -19.658 1.00 0.00 C ATOM 738 CG ASP A 46 -8.250 18.957 -21.145 1.00 0.00 C ATOM 739 OD1 ASP A 46 -8.396 17.830 -21.675 1.00 0.00 O ATOM 740 OD2 ASP A 46 -7.954 19.974 -21.818 1.00 0.00 O ATOM 0 H ASP A 46 -6.705 17.321 -19.439 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.639 20.141 -19.293 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.966 18.195 -19.291 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.123 19.931 -19.466 1.00 0.00 H new ATOM 745 N GLU A 47 -7.468 18.534 -16.578 1.00 0.00 N ATOM 746 CA GLU A 47 -7.691 18.696 -15.147 1.00 0.00 C ATOM 747 C GLU A 47 -6.425 19.276 -14.536 1.00 0.00 C ATOM 748 O GLU A 47 -6.474 20.158 -13.689 1.00 0.00 O ATOM 749 CB GLU A 47 -8.043 17.354 -14.461 1.00 0.00 C ATOM 750 CG GLU A 47 -9.325 16.695 -14.963 1.00 0.00 C ATOM 751 CD GLU A 47 -9.625 15.368 -14.281 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.809 14.427 -14.394 1.00 0.00 O ATOM 753 OE2 GLU A 47 -10.705 15.221 -13.666 1.00 0.00 O ATOM 0 H GLU A 47 -7.302 17.572 -16.873 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.539 19.364 -14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.214 16.660 -14.605 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.134 17.524 -13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.162 17.375 -14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.246 16.534 -16.038 1.00 0.00 H new ATOM 760 N ILE A 48 -5.286 18.802 -15.022 1.00 0.00 N ATOM 761 CA ILE A 48 -3.979 19.268 -14.569 1.00 0.00 C ATOM 762 C ILE A 48 -3.823 20.771 -14.845 1.00 0.00 C ATOM 763 O ILE A 48 -3.289 21.507 -14.015 1.00 0.00 O ATOM 764 CB ILE A 48 -2.825 18.462 -15.248 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.966 16.971 -14.907 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.452 18.985 -14.810 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.936 16.074 -15.562 1.00 0.00 C ATOM 0 H ILE A 48 -5.240 18.082 -15.743 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.915 19.101 -13.494 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.900 18.592 -16.328 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.898 16.851 -13.826 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.960 16.637 -15.203 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.669 18.405 -15.298 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.356 20.034 -15.091 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.354 18.889 -13.729 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.112 15.040 -15.265 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.016 16.159 -16.646 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.937 16.377 -15.247 1.00 0.00 H new ATOM 779 N LEU A 49 -4.353 21.220 -15.990 1.00 0.00 N ATOM 780 CA LEU A 49 -4.339 22.592 -16.391 1.00 0.00 C ATOM 781 C LEU A 49 -5.010 23.487 -15.339 1.00 0.00 C ATOM 782 O LEU A 49 -4.590 24.639 -15.124 1.00 0.00 O ATOM 783 CB LEU A 49 -5.073 22.717 -17.715 1.00 0.00 C ATOM 784 CG LEU A 49 -4.522 21.942 -18.917 1.00 0.00 C ATOM 785 CD1 LEU A 49 -5.313 22.280 -20.168 1.00 0.00 C ATOM 786 CD2 LEU A 49 -3.036 22.208 -19.128 1.00 0.00 C ATOM 0 H LEU A 49 -4.810 20.607 -16.665 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.305 22.920 -16.496 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.104 22.400 -17.557 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.102 23.773 -17.983 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.633 20.878 -18.707 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.911 21.723 -21.014 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.359 22.012 -20.021 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.237 23.349 -20.369 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.683 21.640 -19.989 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.878 23.272 -19.305 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.482 21.902 -18.241 1.00 0.00 H new ATOM 798 N LYS A 50 -6.029 22.944 -14.672 1.00 0.00 N ATOM 799 CA LYS A 50 -6.732 23.643 -13.635 1.00 0.00 C ATOM 800 C LYS A 50 -5.841 23.774 -12.419 1.00 0.00 C ATOM 801 O LYS A 50 -5.642 24.873 -11.911 1.00 0.00 O ATOM 802 CB LYS A 50 -8.006 22.906 -13.267 1.00 0.00 C ATOM 803 CG LYS A 50 -9.056 22.682 -14.385 1.00 0.00 C ATOM 804 CD LYS A 50 -9.880 23.936 -14.761 1.00 0.00 C ATOM 805 CE LYS A 50 -9.080 24.999 -15.503 1.00 0.00 C ATOM 806 NZ LYS A 50 -9.915 26.137 -15.917 1.00 0.00 N ATOM 0 H LYS A 50 -6.379 22.002 -14.848 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.000 24.636 -13.997 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.726 21.931 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.489 23.454 -12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.545 22.319 -15.277 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.741 21.896 -14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.724 23.632 -15.380 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.293 24.374 -13.852 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.274 25.357 -14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.615 24.553 -16.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.328 26.834 -16.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.670 25.802 -16.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.339 26.580 -15.077 1.00 0.00 H new ATOM 820 N ALA A 51 -5.258 22.653 -12.000 1.00 0.00 N ATOM 821 CA ALA A 51 -4.363 22.603 -10.839 1.00 0.00 C ATOM 822 C ALA A 51 -3.216 23.589 -11.000 1.00 0.00 C ATOM 823 O ALA A 51 -2.875 24.322 -10.066 1.00 0.00 O ATOM 824 CB ALA A 51 -3.823 21.193 -10.644 1.00 0.00 C ATOM 0 H ALA A 51 -5.391 21.750 -12.455 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.936 22.883 -9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.161 21.173 -9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.653 20.505 -10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.268 20.890 -11.532 1.00 0.00 H new ATOM 830 N VAL A 52 -2.669 23.638 -12.209 1.00 0.00 N ATOM 831 CA VAL A 52 -1.588 24.558 -12.566 1.00 0.00 C ATOM 832 C VAL A 52 -1.983 26.017 -12.301 1.00 0.00 C ATOM 833 O VAL A 52 -1.178 26.812 -11.828 1.00 0.00 O ATOM 834 CB VAL A 52 -1.152 24.377 -14.066 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.124 25.415 -14.494 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.579 22.990 -14.285 1.00 0.00 C ATOM 0 H VAL A 52 -2.964 23.036 -12.978 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.737 24.313 -11.930 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.046 24.512 -14.675 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.147 25.250 -15.537 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.547 26.413 -14.382 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.765 25.326 -13.870 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.282 22.880 -15.328 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.291 22.850 -13.643 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.334 22.242 -14.042 1.00 0.00 H new ATOM 846 N HIS A 53 -3.228 26.328 -12.526 1.00 0.00 N ATOM 847 CA HIS A 53 -3.709 27.672 -12.396 1.00 0.00 C ATOM 848 C HIS A 53 -4.167 28.015 -11.002 1.00 0.00 C ATOM 849 O HIS A 53 -4.241 29.187 -10.647 1.00 0.00 O ATOM 850 CB HIS A 53 -4.817 27.915 -13.378 1.00 0.00 C ATOM 851 CG HIS A 53 -4.329 28.287 -14.733 1.00 0.00 C ATOM 852 ND1 HIS A 53 -4.085 27.370 -15.720 1.00 0.00 N ATOM 853 CD2 HIS A 53 -4.004 29.491 -15.254 1.00 0.00 C ATOM 854 CE1 HIS A 53 -3.628 27.990 -16.784 1.00 0.00 C ATOM 855 NE2 HIS A 53 -3.571 29.276 -16.527 1.00 0.00 N ATOM 0 H HIS A 53 -3.940 25.653 -12.806 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.864 28.327 -12.611 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.430 27.017 -13.454 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.461 28.709 -13.000 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -4.235 26.364 -15.641 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.075 30.446 -14.754 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.346 27.520 -17.715 1.00 0.00 H new ATOM 863 N VAL A 54 -4.452 27.024 -10.210 1.00 0.00 N ATOM 864 CA VAL A 54 -4.952 27.278 -8.882 1.00 0.00 C ATOM 865 C VAL A 54 -3.790 27.346 -7.940 1.00 0.00 C ATOM 866 O VAL A 54 -3.656 28.275 -7.154 1.00 0.00 O ATOM 867 CB VAL A 54 -5.950 26.185 -8.401 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.456 26.497 -6.996 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.123 26.072 -9.356 1.00 0.00 C ATOM 0 H VAL A 54 -4.350 26.039 -10.453 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.497 28.222 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.420 25.233 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.152 25.720 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.613 26.533 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.964 27.461 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.808 25.302 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.645 27.028 -9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.760 25.805 -10.348 1.00 0.00 H new ATOM 879 N LEU A 55 -2.922 26.392 -8.073 1.00 0.00 N ATOM 880 CA LEU A 55 -1.813 26.249 -7.235 1.00 0.00 C ATOM 881 C LEU A 55 -0.648 27.134 -7.638 1.00 0.00 C ATOM 882 O LEU A 55 0.216 27.440 -6.808 1.00 0.00 O ATOM 883 CB LEU A 55 -1.399 24.814 -7.284 1.00 0.00 C ATOM 884 CG LEU A 55 -2.262 23.782 -6.531 1.00 0.00 C ATOM 885 CD1 LEU A 55 -1.374 22.882 -5.744 1.00 0.00 C ATOM 886 CD2 LEU A 55 -3.269 24.431 -5.592 1.00 0.00 C ATOM 0 H LEU A 55 -2.984 25.677 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.095 26.557 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.359 24.514 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.383 24.747 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.825 23.223 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.979 22.150 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.691 22.365 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.801 23.471 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.849 23.657 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.741 25.029 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.939 25.072 -6.164 1.00 0.00 H new ATOM 898 N GLU A 56 -0.666 27.575 -8.885 1.00 0.00 N ATOM 899 CA GLU A 56 0.414 28.324 -9.525 1.00 0.00 C ATOM 900 C GLU A 56 1.591 27.416 -9.784 1.00 0.00 C ATOM 901 O GLU A 56 2.539 27.323 -8.984 1.00 0.00 O ATOM 902 CB GLU A 56 0.858 29.599 -8.795 1.00 0.00 C ATOM 903 CG GLU A 56 -0.209 30.663 -8.639 1.00 0.00 C ATOM 904 CD GLU A 56 0.368 31.924 -8.053 1.00 0.00 C ATOM 905 OE1 GLU A 56 0.725 31.923 -6.851 1.00 0.00 O ATOM 906 OE2 GLU A 56 0.519 32.918 -8.781 1.00 0.00 O ATOM 0 H GLU A 56 -1.460 27.418 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.005 28.683 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.220 29.323 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.702 30.031 -9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.656 30.880 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.007 30.291 -7.996 1.00 0.00 H new ATOM 913 N LEU A 57 1.470 26.683 -10.846 1.00 0.00 N ATOM 914 CA LEU A 57 2.485 25.788 -11.300 1.00 0.00 C ATOM 915 C LEU A 57 2.902 26.232 -12.672 1.00 0.00 C ATOM 916 O LEU A 57 2.499 27.301 -13.124 1.00 0.00 O ATOM 917 CB LEU A 57 1.970 24.367 -11.358 1.00 0.00 C ATOM 918 CG LEU A 57 1.413 23.774 -10.062 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.839 22.394 -10.316 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.501 23.690 -9.013 1.00 0.00 C ATOM 0 H LEU A 57 0.639 26.692 -11.437 1.00 0.00 H new ATOM 0 HA LEU A 57 3.328 25.806 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.187 24.322 -12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.782 23.727 -11.701 1.00 0.00 H new ATOM 0 HG LEU A 57 0.619 24.426 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.447 21.986 -9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.035 22.464 -11.049 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.622 21.739 -10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.091 23.266 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.309 23.055 -9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.888 24.688 -8.810 1.00 0.00 H new ATOM 932 N ASN A 58 3.664 25.436 -13.337 1.00 0.00 N ATOM 933 CA ASN A 58 4.157 25.743 -14.637 1.00 0.00 C ATOM 934 C ASN A 58 4.503 24.420 -15.271 1.00 0.00 C ATOM 935 O ASN A 58 4.680 23.455 -14.528 1.00 0.00 O ATOM 936 CB ASN A 58 5.417 26.609 -14.464 1.00 0.00 C ATOM 937 CG ASN A 58 6.016 27.093 -15.750 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.897 26.459 -16.320 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.522 28.187 -16.229 1.00 0.00 N ATOM 0 H ASN A 58 3.971 24.529 -12.984 1.00 0.00 H new ATOM 0 HA ASN A 58 3.440 26.285 -15.254 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.168 27.472 -13.846 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.167 26.034 -13.922 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.865 28.556 -17.116 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.789 28.682 -15.720 1.00 0.00 H new ATOM 946 N PRO A 59 4.533 24.298 -16.623 1.00 0.00 N ATOM 947 CA PRO A 59 5.000 23.080 -17.306 1.00 0.00 C ATOM 948 C PRO A 59 6.338 22.556 -16.725 1.00 0.00 C ATOM 949 O PRO A 59 6.567 21.355 -16.666 1.00 0.00 O ATOM 950 CB PRO A 59 5.187 23.525 -18.771 1.00 0.00 C ATOM 951 CG PRO A 59 4.868 24.990 -18.803 1.00 0.00 C ATOM 952 CD PRO A 59 4.029 25.274 -17.596 1.00 0.00 C ATOM 0 HA PRO A 59 4.294 22.258 -17.189 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.207 23.341 -19.107 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.527 22.967 -19.435 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.781 25.585 -18.788 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.333 25.250 -19.716 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.155 26.298 -17.246 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.967 25.135 -17.798 1.00 0.00 H new ATOM 960 N GLN A 60 7.183 23.483 -16.259 1.00 0.00 N ATOM 961 CA GLN A 60 8.455 23.177 -15.627 1.00 0.00 C ATOM 962 C GLN A 60 8.238 22.335 -14.355 1.00 0.00 C ATOM 963 O GLN A 60 9.012 21.430 -14.055 1.00 0.00 O ATOM 964 CB GLN A 60 9.150 24.519 -15.290 1.00 0.00 C ATOM 965 CG GLN A 60 10.585 24.430 -14.795 1.00 0.00 C ATOM 966 CD GLN A 60 10.753 23.979 -13.343 1.00 0.00 C ATOM 967 OE1 GLN A 60 11.742 23.327 -13.003 1.00 0.00 O ATOM 968 NE2 GLN A 60 9.835 24.348 -12.476 1.00 0.00 N ATOM 0 H GLN A 60 6.991 24.483 -16.316 1.00 0.00 H new ATOM 0 HA GLN A 60 9.082 22.591 -16.299 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.134 25.146 -16.182 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.558 25.030 -14.531 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.131 23.739 -15.437 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.052 25.408 -14.910 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.027 24.887 -12.787 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.931 24.095 -11.493 1.00 0.00 H new ATOM 977 N ASP A 61 7.168 22.631 -13.640 1.00 0.00 N ATOM 978 CA ASP A 61 6.847 22.037 -12.398 1.00 0.00 C ATOM 979 C ASP A 61 6.053 20.739 -12.577 1.00 0.00 C ATOM 980 O ASP A 61 5.852 19.995 -11.628 1.00 0.00 O ATOM 981 CB ASP A 61 6.025 23.041 -11.611 1.00 0.00 C ATOM 982 CG ASP A 61 6.815 24.177 -10.978 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.009 25.229 -11.629 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.209 24.073 -9.801 1.00 0.00 O ATOM 0 H ASP A 61 6.483 23.324 -13.940 1.00 0.00 H new ATOM 0 HA ASP A 61 7.766 21.778 -11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.273 23.469 -12.274 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.490 22.510 -10.824 1.00 0.00 H new ATOM 989 N ILE A 62 5.623 20.459 -13.786 1.00 0.00 N ATOM 990 CA ILE A 62 4.851 19.240 -14.068 1.00 0.00 C ATOM 991 C ILE A 62 5.615 17.933 -13.711 1.00 0.00 C ATOM 992 O ILE A 62 5.079 17.097 -12.971 1.00 0.00 O ATOM 993 CB ILE A 62 4.331 19.196 -15.524 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.403 20.386 -15.773 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.613 17.875 -15.827 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.169 20.446 -14.895 1.00 0.00 C ATOM 0 H ILE A 62 5.788 21.051 -14.600 1.00 0.00 H new ATOM 0 HA ILE A 62 3.986 19.290 -13.407 1.00 0.00 H new ATOM 0 HB ILE A 62 5.186 19.259 -16.197 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.973 21.304 -15.632 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.085 20.365 -16.815 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.261 17.880 -16.859 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.304 17.044 -15.683 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.763 17.760 -15.155 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.581 21.327 -15.153 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.568 19.550 -15.050 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.469 20.504 -13.849 1.00 0.00 H new ATOM 1008 N PRO A 63 6.909 17.749 -14.155 1.00 0.00 N ATOM 1009 CA PRO A 63 7.678 16.528 -13.865 1.00 0.00 C ATOM 1010 C PRO A 63 8.182 16.516 -12.439 1.00 0.00 C ATOM 1011 O PRO A 63 8.854 15.590 -11.985 1.00 0.00 O ATOM 1012 CB PRO A 63 8.865 16.594 -14.810 1.00 0.00 C ATOM 1013 CG PRO A 63 8.627 17.766 -15.705 1.00 0.00 C ATOM 1014 CD PRO A 63 7.724 18.683 -14.954 1.00 0.00 C ATOM 0 HA PRO A 63 7.066 15.635 -13.993 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.796 16.711 -14.256 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.952 15.675 -15.389 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.565 18.262 -15.956 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.171 17.453 -16.644 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.282 19.375 -14.324 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.110 19.286 -15.624 1.00 0.00 H new ATOM 1022 N LYS A 64 7.924 17.577 -11.790 1.00 0.00 N ATOM 1023 CA LYS A 64 8.294 17.767 -10.426 1.00 0.00 C ATOM 1024 C LYS A 64 7.163 17.266 -9.526 1.00 0.00 C ATOM 1025 O LYS A 64 7.365 16.472 -8.635 1.00 0.00 O ATOM 1026 CB LYS A 64 8.530 19.244 -10.171 1.00 0.00 C ATOM 1027 CG LYS A 64 9.422 19.911 -11.199 1.00 0.00 C ATOM 1028 CD LYS A 64 10.831 19.370 -11.217 1.00 0.00 C ATOM 1029 CE LYS A 64 11.668 20.118 -12.241 1.00 0.00 C ATOM 1030 NZ LYS A 64 13.029 19.566 -12.377 1.00 0.00 N ATOM 0 H LYS A 64 7.433 18.373 -12.196 1.00 0.00 H new ATOM 0 HA LYS A 64 9.207 17.212 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.569 19.757 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.976 19.365 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.980 19.785 -12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.455 20.982 -10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.279 19.469 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.817 18.306 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.168 20.083 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.733 21.168 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.556 20.113 -13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.520 19.623 -11.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.972 18.572 -12.678 1.00 0.00 H new ATOM 1044 N TYR A 65 5.964 17.708 -9.806 1.00 0.00 N ATOM 1045 CA TYR A 65 4.822 17.376 -8.985 1.00 0.00 C ATOM 1046 C TYR A 65 4.128 16.075 -9.395 1.00 0.00 C ATOM 1047 O TYR A 65 4.091 15.106 -8.622 1.00 0.00 O ATOM 1048 CB TYR A 65 3.813 18.532 -8.982 1.00 0.00 C ATOM 1049 CG TYR A 65 4.278 19.766 -8.241 1.00 0.00 C ATOM 1050 CD1 TYR A 65 5.217 20.624 -8.773 1.00 0.00 C ATOM 1051 CD2 TYR A 65 3.766 20.063 -7.007 1.00 0.00 C ATOM 1052 CE1 TYR A 65 5.632 21.738 -8.090 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.170 21.176 -6.312 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.105 22.009 -6.856 1.00 0.00 C ATOM 1055 OH TYR A 65 5.513 23.124 -6.166 1.00 0.00 O ATOM 0 H TYR A 65 5.749 18.305 -10.605 1.00 0.00 H new ATOM 0 HA TYR A 65 5.209 17.215 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.589 18.805 -10.013 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.882 18.184 -8.535 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.634 20.414 -9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.028 19.407 -6.570 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.370 22.397 -8.523 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.751 21.391 -5.340 1.00 0.00 H new ATOM 0 HH TYR A 65 5.767 23.827 -6.800 1.00 0.00 H new ATOM 1065 N PHE A 66 3.644 16.030 -10.616 1.00 0.00 N ATOM 1066 CA PHE A 66 2.759 14.949 -11.061 1.00 0.00 C ATOM 1067 C PHE A 66 3.514 13.753 -11.624 1.00 0.00 C ATOM 1068 O PHE A 66 2.904 12.794 -12.084 1.00 0.00 O ATOM 1069 CB PHE A 66 1.765 15.475 -12.108 1.00 0.00 C ATOM 1070 CG PHE A 66 0.868 16.576 -11.612 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.300 16.279 -10.937 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.192 17.905 -11.823 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -1.129 17.281 -10.479 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.368 18.912 -11.368 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.796 18.600 -10.694 1.00 0.00 C ATOM 0 H PHE A 66 3.844 16.729 -11.331 1.00 0.00 H new ATOM 0 HA PHE A 66 2.224 14.602 -10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.323 15.838 -12.971 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.147 14.646 -12.453 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.568 15.247 -10.765 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.101 18.156 -12.350 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.038 17.032 -9.952 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.633 19.945 -11.539 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.443 19.387 -10.337 1.00 0.00 H new ATOM 1085 N PHE A 67 4.825 13.776 -11.552 1.00 0.00 N ATOM 1086 CA PHE A 67 5.603 12.701 -12.151 1.00 0.00 C ATOM 1087 C PHE A 67 5.643 11.479 -11.233 1.00 0.00 C ATOM 1088 O PHE A 67 5.818 10.357 -11.702 1.00 0.00 O ATOM 1089 CB PHE A 67 7.032 13.153 -12.453 1.00 0.00 C ATOM 1090 CG PHE A 67 7.659 12.441 -13.623 1.00 0.00 C ATOM 1091 CD1 PHE A 67 8.428 11.308 -13.444 1.00 0.00 C ATOM 1092 CD2 PHE A 67 7.467 12.917 -14.911 1.00 0.00 C ATOM 1093 CE1 PHE A 67 8.994 10.665 -14.524 1.00 0.00 C ATOM 1094 CE2 PHE A 67 8.032 12.278 -15.995 1.00 0.00 C ATOM 1095 CZ PHE A 67 8.796 11.150 -15.802 1.00 0.00 C ATOM 0 H PHE A 67 5.371 14.507 -11.097 1.00 0.00 H new ATOM 0 HA PHE A 67 5.113 12.431 -13.087 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.030 14.225 -12.650 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.649 12.993 -11.569 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.588 10.922 -12.448 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.866 13.801 -15.068 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.594 9.780 -14.370 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.875 12.662 -16.992 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.240 10.645 -16.647 1.00 0.00 H new ATOM 1105 N ASN A 68 5.437 11.709 -9.916 1.00 0.00 N ATOM 1106 CA ASN A 68 5.545 10.713 -8.900 1.00 0.00 C ATOM 1107 C ASN A 68 6.791 9.870 -9.029 1.00 0.00 C ATOM 1108 O ASN A 68 6.762 8.636 -8.961 1.00 0.00 O ATOM 1109 CB ASN A 68 4.279 9.909 -8.793 1.00 0.00 C ATOM 1110 CG ASN A 68 4.210 9.240 -7.469 1.00 0.00 C ATOM 1111 OD1 ASN A 68 4.578 8.087 -7.298 1.00 0.00 O ATOM 1112 ND2 ASN A 68 3.804 9.999 -6.507 1.00 0.00 N ATOM 0 H ASN A 68 5.185 12.628 -9.552 1.00 0.00 H new ATOM 0 HA ASN A 68 5.666 11.231 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.414 10.559 -8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.244 9.164 -9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.780 9.643 -5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.507 10.955 -6.702 1.00 0.00 H new ATOM 1119 N ALA A 69 7.892 10.544 -9.227 1.00 0.00 N ATOM 1120 CA ALA A 69 9.154 9.892 -9.225 1.00 0.00 C ATOM 1121 C ALA A 69 9.584 9.570 -7.807 1.00 0.00 C ATOM 1122 O ALA A 69 10.308 10.322 -7.172 1.00 0.00 O ATOM 1123 CB ALA A 69 10.232 10.655 -9.983 1.00 0.00 C ATOM 0 H ALA A 69 7.930 11.550 -9.392 1.00 0.00 H new ATOM 0 HA ALA A 69 9.025 8.957 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.169 10.100 -9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.929 10.776 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.371 11.636 -9.529 1.00 0.00 H new ATOM 1129 N LYS A 70 8.968 8.565 -7.259 1.00 0.00 N ATOM 1130 CA LYS A 70 9.391 8.015 -6.025 1.00 0.00 C ATOM 1131 C LYS A 70 10.075 6.695 -6.299 1.00 0.00 C ATOM 1132 O LYS A 70 9.653 5.946 -7.181 1.00 0.00 O ATOM 1133 CB LYS A 70 8.224 7.843 -5.040 1.00 0.00 C ATOM 1134 CG LYS A 70 7.106 6.896 -5.486 1.00 0.00 C ATOM 1135 CD LYS A 70 6.017 6.752 -4.412 1.00 0.00 C ATOM 1136 CE LYS A 70 6.548 6.094 -3.133 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.520 6.015 -2.068 1.00 0.00 N ATOM 0 H LYS A 70 8.153 8.107 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 70 10.090 8.703 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.624 7.481 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.788 8.824 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.660 7.269 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.528 5.916 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.614 7.736 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.194 6.158 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.904 5.090 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.405 6.659 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.681 5.164 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.582 6.859 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.575 5.967 -2.500 1.00 0.00 H new ATOM 1151 N VAL A 71 11.125 6.425 -5.581 1.00 0.00 N ATOM 1152 CA VAL A 71 11.881 5.187 -5.740 1.00 0.00 C ATOM 1153 C VAL A 71 11.534 4.253 -4.551 1.00 0.00 C ATOM 1154 O VAL A 71 12.241 3.307 -4.231 1.00 0.00 O ATOM 1155 CB VAL A 71 13.411 5.517 -5.810 1.00 0.00 C ATOM 1156 CG1 VAL A 71 13.914 6.095 -4.515 1.00 0.00 C ATOM 1157 CG2 VAL A 71 14.256 4.332 -6.267 1.00 0.00 C ATOM 0 H VAL A 71 11.494 7.049 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 71 11.619 4.677 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 71 13.523 6.282 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.979 6.311 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.374 7.016 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.754 5.378 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.306 4.623 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.128 3.504 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.939 4.021 -7.262 1.00 0.00 H new ATOM 1167 N HIS A 72 10.356 4.527 -3.989 1.00 0.00 N ATOM 1168 CA HIS A 72 9.781 3.887 -2.796 1.00 0.00 C ATOM 1169 C HIS A 72 10.652 4.066 -1.562 1.00 0.00 C ATOM 1170 O HIS A 72 10.526 5.117 -0.920 1.00 0.00 O ATOM 1171 CB HIS A 72 9.225 2.425 -2.994 1.00 0.00 C ATOM 1172 CG HIS A 72 10.207 1.319 -3.307 1.00 0.00 C ATOM 1173 ND1 HIS A 72 10.360 0.788 -4.565 1.00 0.00 N ATOM 1174 CD2 HIS A 72 11.046 0.615 -2.510 1.00 0.00 C ATOM 1175 CE1 HIS A 72 11.245 -0.179 -4.523 1.00 0.00 C ATOM 1176 NE2 HIS A 72 11.676 -0.306 -3.296 1.00 0.00 N ATOM 0 H HIS A 72 9.739 5.242 -4.373 1.00 0.00 H new ATOM 0 HA HIS A 72 8.866 4.448 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.690 2.147 -2.086 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.491 2.455 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 72 11.190 0.756 -1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 72 11.565 -0.774 -5.366 1.00 0.00 H new ATOM 0 HE2 HIS A 72 12.370 -0.983 -2.978 1.00 0.00 H new TER 1184 HIS A 72