USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 850 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 Single : A 9 TYR OH : rot 171:sc= -0.936! USER MOD Single : A 11 ASN : amide:sc= -0.0716 K(o=-0.072,f=-0.94) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0.737 (180deg=0.717) USER MOD Single : A 18 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.47) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.07) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000666) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.412 (180deg=-1.67) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= 0.00052 X(o=0.00052,f=0) USER MOD Single : B 15 LYS NZ :NH3+ -155:sc= 1.33 (180deg=1.2) USER MOD Single : B 18 GLN : amide:sc= -2.04! C(o=-2!,f=-2.4!) USER MOD Single : B 19 LYS NZ :NH3+ 164:sc= -0.0516 (180deg=-0.305) USER MOD Single : B 23 LYS NZ :NH3+ 150:sc= 1.18 (180deg=0.708) USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= -0.0588 (180deg=-0.363) USER MOD Single : B 31 LYS NZ :NH3+ -162:sc= -0.0438 (180deg=-0.385) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= -0.0694 USER MOD Single : B 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 SER OG : rot 180:sc= 0 USER MOD Single : B 64 HIS :FLIP no HD1:sc= -0.199 F(o=-0.77,f=-0.2) USER MOD Single : B 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : B 66 HIS :FLIP no HD1:sc= -0.0327 F(o=-1,f=-0.033) USER MOD Single : B 67 HIS : no HD1:sc= -0.0935 X(o=-0.094,f=-0.097) USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 69 HIS : no HD1:sc= -0.0777 X(o=-0.078,f=0) USER MOD ----------------------------------------------------------------- ATOM 56 N ILE A 4 -7.074 1.019 3.351 1.00 0.00 N ATOM 57 CA ILE A 4 -7.439 -0.191 2.650 1.00 0.00 C ATOM 58 C ILE A 4 -8.152 0.083 1.341 1.00 0.00 C ATOM 59 O ILE A 4 -9.146 0.809 1.275 1.00 0.00 O ATOM 60 CB ILE A 4 -8.330 -1.102 3.507 1.00 0.00 C ATOM 61 CG1 ILE A 4 -7.606 -1.552 4.773 1.00 0.00 C ATOM 62 CG2 ILE A 4 -8.788 -2.318 2.717 1.00 0.00 C ATOM 63 CD1 ILE A 4 -7.516 -0.508 5.867 1.00 0.00 C ATOM 0 HA ILE A 4 -6.495 -0.693 2.438 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.205 -0.520 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.114 -2.430 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.596 -1.863 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.417 -2.946 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.357 -1.993 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.918 -2.888 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.985 -0.923 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.978 0.364 5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.520 -0.212 6.171 1.00 0.00 H new ATOM 75 N ILE A 5 -7.620 -0.522 0.315 1.00 0.00 N ATOM 76 CA ILE A 5 -8.258 -0.574 -0.984 1.00 0.00 C ATOM 77 C ILE A 5 -8.679 -2.012 -1.215 1.00 0.00 C ATOM 78 O ILE A 5 -8.147 -2.914 -0.578 1.00 0.00 O ATOM 79 CB ILE A 5 -7.300 -0.130 -2.115 1.00 0.00 C ATOM 80 CG1 ILE A 5 -6.550 1.142 -1.713 1.00 0.00 C ATOM 81 CG2 ILE A 5 -8.064 0.100 -3.415 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.514 1.592 -2.725 1.00 0.00 C ATOM 0 H ILE A 5 -6.720 -1.001 0.352 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.109 0.107 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.576 -0.929 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.271 1.946 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.058 0.974 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.369 0.411 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.557 -0.825 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.813 0.878 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.026 2.499 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.769 0.807 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.001 1.794 -3.679 1.00 0.00 H new ATOM 94 N GLU A 6 -9.634 -2.245 -2.085 1.00 0.00 N ATOM 95 CA GLU A 6 -10.065 -3.593 -2.353 1.00 0.00 C ATOM 96 C GLU A 6 -9.939 -3.904 -3.832 1.00 0.00 C ATOM 97 O GLU A 6 -10.303 -3.090 -4.681 1.00 0.00 O ATOM 98 CB GLU A 6 -11.495 -3.787 -1.868 1.00 0.00 C ATOM 99 CG GLU A 6 -11.642 -3.682 -0.363 1.00 0.00 C ATOM 100 CD GLU A 6 -13.061 -3.912 0.105 1.00 0.00 C ATOM 101 OE1 GLU A 6 -13.465 -5.085 0.217 1.00 0.00 O ATOM 102 OE2 GLU A 6 -13.777 -2.921 0.353 1.00 0.00 O ATOM 0 H GLU A 6 -10.123 -1.523 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.424 -4.288 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.135 -3.042 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.851 -4.765 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.985 -4.410 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.313 -2.695 -0.038 1.00 0.00 H new ATOM 109 N ALA A 7 -9.393 -5.071 -4.130 1.00 0.00 N ATOM 110 CA ALA A 7 -9.158 -5.491 -5.497 1.00 0.00 C ATOM 111 C ALA A 7 -9.678 -6.904 -5.716 1.00 0.00 C ATOM 112 O ALA A 7 -9.988 -7.611 -4.753 1.00 0.00 O ATOM 113 CB ALA A 7 -7.667 -5.439 -5.793 1.00 0.00 C ATOM 0 H ALA A 7 -9.101 -5.752 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.688 -4.818 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.489 -5.755 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.305 -4.420 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.137 -6.105 -5.112 1.00 0.00 H new ATOM 119 N VAL A 8 -9.788 -7.299 -6.973 1.00 0.00 N ATOM 120 CA VAL A 8 -10.083 -8.665 -7.325 1.00 0.00 C ATOM 121 C VAL A 8 -8.864 -9.311 -7.978 1.00 0.00 C ATOM 122 O VAL A 8 -8.338 -8.823 -8.983 1.00 0.00 O ATOM 123 CB VAL A 8 -11.300 -8.764 -8.268 1.00 0.00 C ATOM 124 CG1 VAL A 8 -12.594 -8.540 -7.504 1.00 0.00 C ATOM 125 CG2 VAL A 8 -11.190 -7.772 -9.416 1.00 0.00 C ATOM 0 H VAL A 8 -9.674 -6.677 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.331 -9.197 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.311 -9.770 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.439 -8.614 -8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.692 -9.295 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.581 -7.549 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.062 -7.866 -10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.141 -6.759 -9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.288 -7.980 -9.991 1.00 0.00 H new ATOM 135 N TYR A 9 -8.394 -10.385 -7.372 1.00 0.00 N ATOM 136 CA TYR A 9 -7.260 -11.131 -7.892 1.00 0.00 C ATOM 137 C TYR A 9 -7.704 -12.100 -8.958 1.00 0.00 C ATOM 138 O TYR A 9 -8.467 -13.027 -8.727 1.00 0.00 O ATOM 139 CB TYR A 9 -6.542 -11.864 -6.752 1.00 0.00 C ATOM 140 CG TYR A 9 -5.288 -12.592 -7.178 1.00 0.00 C ATOM 141 CD1 TYR A 9 -4.176 -11.886 -7.606 1.00 0.00 C ATOM 142 CD2 TYR A 9 -5.214 -13.979 -7.150 1.00 0.00 C ATOM 143 CE1 TYR A 9 -3.027 -12.533 -7.997 1.00 0.00 C ATOM 144 CE2 TYR A 9 -4.063 -14.634 -7.540 1.00 0.00 C ATOM 145 CZ TYR A 9 -2.973 -13.905 -7.961 1.00 0.00 C ATOM 146 OH TYR A 9 -1.825 -14.550 -8.349 1.00 0.00 O ATOM 0 H TYR A 9 -8.784 -10.765 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.560 -10.430 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.284 -11.143 -5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.231 -12.581 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.212 -10.807 -7.633 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.068 -14.552 -6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.171 -11.965 -8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.018 -15.713 -7.515 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.897 -15.503 -8.134 1.00 0.00 H new ATOM 156 N GLU A 10 -7.199 -11.812 -10.126 1.00 0.00 N ATOM 157 CA GLU A 10 -7.326 -12.616 -11.304 1.00 0.00 C ATOM 158 C GLU A 10 -6.224 -13.638 -11.322 1.00 0.00 C ATOM 159 O GLU A 10 -5.556 -13.837 -10.311 1.00 0.00 O ATOM 160 CB GLU A 10 -7.300 -11.746 -12.554 1.00 0.00 C ATOM 161 CG GLU A 10 -8.443 -10.754 -12.617 1.00 0.00 C ATOM 162 CD GLU A 10 -8.527 -10.064 -13.955 1.00 0.00 C ATOM 163 OE1 GLU A 10 -7.478 -9.628 -14.482 1.00 0.00 O ATOM 164 OE2 GLU A 10 -9.644 -9.936 -14.484 1.00 0.00 O ATOM 0 H GLU A 10 -6.658 -10.962 -10.287 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.285 -13.134 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.355 -11.204 -12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.335 -12.387 -13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.382 -11.271 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.317 -10.008 -11.833 1.00 0.00 H new ATOM 171 N ASN A 11 -6.087 -14.313 -12.446 1.00 0.00 N ATOM 172 CA ASN A 11 -5.194 -15.460 -12.612 1.00 0.00 C ATOM 173 C ASN A 11 -3.728 -15.055 -12.518 1.00 0.00 C ATOM 174 O ASN A 11 -2.886 -15.487 -13.309 1.00 0.00 O ATOM 175 CB ASN A 11 -5.433 -15.979 -14.001 1.00 0.00 C ATOM 176 CG ASN A 11 -5.496 -17.491 -14.083 1.00 0.00 C ATOM 177 OD1 ASN A 11 -5.915 -18.166 -13.146 1.00 0.00 O ATOM 178 ND2 ASN A 11 -5.085 -18.031 -15.217 1.00 0.00 N ATOM 0 H ASN A 11 -6.603 -14.079 -13.294 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.395 -16.194 -11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.367 -15.564 -14.379 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.638 -15.621 -14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.109 -19.044 -15.338 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.744 -17.435 -15.971 1.00 0.00 H new ATOM 185 N GLY A 12 -3.441 -14.246 -11.532 1.00 0.00 N ATOM 186 CA GLY A 12 -2.117 -13.717 -11.341 1.00 0.00 C ATOM 187 C GLY A 12 -2.158 -12.214 -11.347 1.00 0.00 C ATOM 188 O GLY A 12 -1.124 -11.551 -11.296 1.00 0.00 O ATOM 0 H GLY A 12 -4.120 -13.935 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.707 -14.074 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.456 -14.074 -12.131 1.00 0.00 H new ATOM 192 N VAL A 13 -3.370 -11.668 -11.413 1.00 0.00 N ATOM 193 CA VAL A 13 -3.528 -10.227 -11.531 1.00 0.00 C ATOM 194 C VAL A 13 -4.219 -9.643 -10.315 1.00 0.00 C ATOM 195 O VAL A 13 -5.129 -10.248 -9.780 1.00 0.00 O ATOM 196 CB VAL A 13 -4.405 -9.887 -12.732 1.00 0.00 C ATOM 197 CG1 VAL A 13 -4.168 -8.459 -13.173 1.00 0.00 C ATOM 198 CG2 VAL A 13 -4.182 -10.861 -13.885 1.00 0.00 C ATOM 0 H VAL A 13 -4.243 -12.195 -11.387 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.526 -9.811 -11.635 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.446 -9.985 -12.424 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.802 -8.233 -14.031 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.410 -7.781 -12.355 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.122 -8.333 -13.452 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.824 -10.587 -14.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.139 -10.821 -14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.424 -11.873 -13.559 1.00 0.00 H new ATOM 208 N PHE A 14 -3.816 -8.465 -9.888 1.00 0.00 N ATOM 209 CA PHE A 14 -4.598 -7.736 -8.903 1.00 0.00 C ATOM 210 C PHE A 14 -5.206 -6.493 -9.542 1.00 0.00 C ATOM 211 O PHE A 14 -4.492 -5.595 -9.963 1.00 0.00 O ATOM 212 CB PHE A 14 -3.743 -7.324 -7.707 1.00 0.00 C ATOM 213 CG PHE A 14 -3.519 -8.408 -6.685 1.00 0.00 C ATOM 214 CD1 PHE A 14 -4.546 -8.797 -5.846 1.00 0.00 C ATOM 215 CD2 PHE A 14 -2.279 -9.019 -6.547 1.00 0.00 C ATOM 216 CE1 PHE A 14 -4.352 -9.776 -4.894 1.00 0.00 C ATOM 217 CE2 PHE A 14 -2.081 -10.004 -5.591 1.00 0.00 C ATOM 218 CZ PHE A 14 -3.122 -10.380 -4.761 1.00 0.00 C ATOM 0 H PHE A 14 -2.966 -7.995 -10.199 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.389 -8.397 -8.548 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.774 -6.983 -8.072 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.216 -6.474 -7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.514 -8.328 -5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.462 -8.724 -7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.168 -10.070 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.115 -10.477 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.971 -11.144 -4.012 1.00 0.00 H new ATOM 228 N LYS A 15 -6.520 -6.451 -9.631 1.00 0.00 N ATOM 229 CA LYS A 15 -7.211 -5.283 -10.145 1.00 0.00 C ATOM 230 C LYS A 15 -8.151 -4.705 -9.111 1.00 0.00 C ATOM 231 O LYS A 15 -9.110 -5.356 -8.714 1.00 0.00 O ATOM 232 CB LYS A 15 -7.993 -5.633 -11.398 1.00 0.00 C ATOM 233 CG LYS A 15 -7.106 -5.841 -12.603 1.00 0.00 C ATOM 234 CD LYS A 15 -7.788 -5.404 -13.884 1.00 0.00 C ATOM 235 CE LYS A 15 -8.947 -6.313 -14.247 1.00 0.00 C ATOM 236 NZ LYS A 15 -8.560 -7.313 -15.274 1.00 0.00 N ATOM 0 H LYS A 15 -7.135 -7.216 -9.353 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.455 -4.536 -10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.572 -6.539 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.706 -4.836 -11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.180 -5.280 -12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.834 -6.894 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.150 -4.382 -13.772 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.063 -5.398 -14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.300 -6.827 -13.353 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.778 -5.713 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.400 -7.849 -15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.152 -6.825 -16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.856 -7.966 -14.875 1.00 0.00 H new ATOM 250 N PRO A 16 -7.895 -3.470 -8.666 1.00 0.00 N ATOM 251 CA PRO A 16 -8.717 -2.836 -7.641 1.00 0.00 C ATOM 252 C PRO A 16 -10.148 -2.612 -8.112 1.00 0.00 C ATOM 253 O PRO A 16 -10.461 -2.721 -9.298 1.00 0.00 O ATOM 254 CB PRO A 16 -8.002 -1.500 -7.381 1.00 0.00 C ATOM 255 CG PRO A 16 -7.134 -1.263 -8.573 1.00 0.00 C ATOM 256 CD PRO A 16 -6.801 -2.615 -9.132 1.00 0.00 C ATOM 0 HA PRO A 16 -8.811 -3.453 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.721 -0.690 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.408 -1.546 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.651 -0.653 -9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.228 -0.725 -8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.746 -2.595 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.836 -2.970 -8.771 1.00 0.00 H new ATOM 264 N LEU A 17 -10.996 -2.275 -7.167 1.00 0.00 N ATOM 265 CA LEU A 17 -12.379 -1.939 -7.446 1.00 0.00 C ATOM 266 C LEU A 17 -12.577 -0.471 -7.147 1.00 0.00 C ATOM 267 O LEU A 17 -13.574 0.142 -7.529 1.00 0.00 O ATOM 268 CB LEU A 17 -13.325 -2.782 -6.585 1.00 0.00 C ATOM 269 CG LEU A 17 -13.150 -4.296 -6.706 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.107 -5.019 -5.770 1.00 0.00 C ATOM 271 CD2 LEU A 17 -13.367 -4.742 -8.140 1.00 0.00 C ATOM 0 H LEU A 17 -10.748 -2.225 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.604 -2.147 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.187 -2.500 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.352 -2.530 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.130 -4.550 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.969 -6.096 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.905 -4.720 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.134 -4.760 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.239 -5.822 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.376 -4.476 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.642 -4.249 -8.788 1.00 0.00 H new ATOM 283 N GLN A 18 -11.598 0.074 -6.448 1.00 0.00 N ATOM 284 CA GLN A 18 -11.595 1.486 -6.105 1.00 0.00 C ATOM 285 C GLN A 18 -10.605 2.205 -6.998 1.00 0.00 C ATOM 286 O GLN A 18 -9.456 1.779 -7.120 1.00 0.00 O ATOM 287 CB GLN A 18 -11.203 1.689 -4.642 1.00 0.00 C ATOM 288 CG GLN A 18 -12.034 0.872 -3.666 1.00 0.00 C ATOM 289 CD GLN A 18 -11.550 1.000 -2.237 1.00 0.00 C ATOM 290 OE1 GLN A 18 -11.014 2.031 -1.835 1.00 0.00 O ATOM 291 NE2 GLN A 18 -11.730 -0.054 -1.461 1.00 0.00 N ATOM 0 H GLN A 18 -10.789 -0.443 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.598 1.888 -6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.152 1.428 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.301 2.746 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.074 1.193 -3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.007 -0.177 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.179 -0.891 -1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.420 -0.031 -0.490 1.00 0.00 H new ATOM 300 N LYS A 19 -11.045 3.275 -7.637 1.00 0.00 N ATOM 301 CA LYS A 19 -10.158 4.032 -8.495 1.00 0.00 C ATOM 302 C LYS A 19 -9.144 4.788 -7.658 1.00 0.00 C ATOM 303 O LYS A 19 -9.458 5.339 -6.597 1.00 0.00 O ATOM 304 CB LYS A 19 -10.922 4.969 -9.427 1.00 0.00 C ATOM 305 CG LYS A 19 -11.993 5.791 -8.747 1.00 0.00 C ATOM 306 CD LYS A 19 -12.750 6.613 -9.770 1.00 0.00 C ATOM 307 CE LYS A 19 -14.016 7.218 -9.185 1.00 0.00 C ATOM 308 NZ LYS A 19 -13.736 8.061 -7.993 1.00 0.00 N ATOM 0 H LYS A 19 -11.998 3.634 -7.578 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.626 3.327 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.212 5.644 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.383 4.378 -10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.682 5.135 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.541 6.448 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.106 7.409 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.008 5.984 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.514 7.820 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.705 6.419 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.603 8.560 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.411 7.458 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.997 8.756 -8.225 1.00 0.00 H new ATOM 322 N VAL A 20 -7.930 4.808 -8.151 1.00 0.00 N ATOM 323 CA VAL A 20 -6.789 5.190 -7.349 1.00 0.00 C ATOM 324 C VAL A 20 -5.882 6.166 -8.033 1.00 0.00 C ATOM 325 O VAL A 20 -5.641 6.101 -9.236 1.00 0.00 O ATOM 326 CB VAL A 20 -6.019 3.927 -6.930 1.00 0.00 C ATOM 327 CG1 VAL A 20 -5.629 3.087 -8.135 1.00 0.00 C ATOM 328 CG2 VAL A 20 -4.804 4.236 -6.078 1.00 0.00 C ATOM 0 H VAL A 20 -7.703 4.562 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.168 5.708 -6.468 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.704 3.346 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.086 2.202 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.527 2.781 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.993 3.674 -8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.300 3.307 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.119 4.873 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.118 4.751 -5.170 1.00 0.00 H new ATOM 338 N ASP A 21 -5.406 7.086 -7.231 1.00 0.00 N ATOM 339 CA ASP A 21 -4.400 8.019 -7.670 1.00 0.00 C ATOM 340 C ASP A 21 -3.061 7.498 -7.228 1.00 0.00 C ATOM 341 O ASP A 21 -2.535 7.821 -6.161 1.00 0.00 O ATOM 342 CB ASP A 21 -4.668 9.388 -7.088 1.00 0.00 C ATOM 343 CG ASP A 21 -3.587 10.404 -7.413 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.237 10.552 -8.604 1.00 0.00 O ATOM 345 OD2 ASP A 21 -3.076 11.052 -6.471 1.00 0.00 O ATOM 0 H ASP A 21 -5.703 7.208 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.417 8.117 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.624 9.753 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.762 9.302 -6.005 1.00 0.00 H new ATOM 350 N LEU A 22 -2.560 6.664 -8.075 1.00 0.00 N ATOM 351 CA LEU A 22 -1.307 5.975 -7.868 1.00 0.00 C ATOM 352 C LEU A 22 -0.252 6.340 -8.912 1.00 0.00 C ATOM 353 O LEU A 22 -0.535 7.066 -9.869 1.00 0.00 O ATOM 354 CB LEU A 22 -1.579 4.469 -7.866 1.00 0.00 C ATOM 355 CG LEU A 22 -1.928 3.772 -9.197 1.00 0.00 C ATOM 356 CD1 LEU A 22 -2.889 4.568 -10.066 1.00 0.00 C ATOM 357 CD2 LEU A 22 -0.679 3.412 -9.976 1.00 0.00 C ATOM 0 H LEU A 22 -3.014 6.428 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.894 6.287 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.697 3.976 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.399 4.283 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.448 2.855 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.089 4.018 -10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.823 4.725 -9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.445 5.533 -10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.960 2.922 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.115 4.318 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.063 2.736 -9.383 1.00 0.00 H new ATOM 369 N LYS A 23 0.966 5.837 -8.707 1.00 0.00 N ATOM 370 CA LYS A 23 2.030 5.927 -9.701 1.00 0.00 C ATOM 371 C LYS A 23 2.377 4.532 -10.201 1.00 0.00 C ATOM 372 O LYS A 23 2.248 3.557 -9.470 1.00 0.00 O ATOM 373 CB LYS A 23 3.293 6.575 -9.130 1.00 0.00 C ATOM 374 CG LYS A 23 3.285 8.098 -9.125 1.00 0.00 C ATOM 375 CD LYS A 23 2.302 8.651 -8.118 1.00 0.00 C ATOM 376 CE LYS A 23 2.495 10.147 -7.923 1.00 0.00 C ATOM 377 NZ LYS A 23 2.177 10.924 -9.154 1.00 0.00 N ATOM 0 H LYS A 23 1.240 5.358 -7.849 1.00 0.00 H new ATOM 0 HA LYS A 23 1.666 6.551 -10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.434 6.223 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.152 6.232 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.285 8.466 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.031 8.463 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.284 8.454 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.428 8.138 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.860 10.489 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.526 10.343 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.307 11.939 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.811 10.630 -9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.190 10.747 -9.431 1.00 0.00 H new ATOM 391 N GLU A 24 2.823 4.433 -11.437 1.00 0.00 N ATOM 392 CA GLU A 24 3.103 3.144 -12.037 1.00 0.00 C ATOM 393 C GLU A 24 4.286 2.472 -11.366 1.00 0.00 C ATOM 394 O GLU A 24 5.339 3.083 -11.165 1.00 0.00 O ATOM 395 CB GLU A 24 3.372 3.301 -13.521 1.00 0.00 C ATOM 396 CG GLU A 24 2.185 3.831 -14.297 1.00 0.00 C ATOM 397 CD GLU A 24 2.421 3.832 -15.789 1.00 0.00 C ATOM 398 OE1 GLU A 24 3.023 4.796 -16.307 1.00 0.00 O ATOM 399 OE2 GLU A 24 1.997 2.863 -16.452 1.00 0.00 O ATOM 0 H GLU A 24 3.000 5.231 -12.047 1.00 0.00 H new ATOM 0 HA GLU A 24 2.226 2.512 -11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.217 3.975 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.664 2.335 -13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.308 3.224 -14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.964 4.846 -13.967 1.00 0.00 H new ATOM 406 N GLY A 25 4.105 1.208 -11.040 1.00 0.00 N ATOM 407 CA GLY A 25 5.105 0.474 -10.304 1.00 0.00 C ATOM 408 C GLY A 25 4.958 0.695 -8.818 1.00 0.00 C ATOM 409 O GLY A 25 5.912 0.524 -8.059 1.00 0.00 O ATOM 0 H GLY A 25 3.271 0.670 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.017 -0.589 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.099 0.786 -10.625 1.00 0.00 H new ATOM 413 N GLU A 26 3.753 1.075 -8.409 1.00 0.00 N ATOM 414 CA GLU A 26 3.479 1.380 -7.026 1.00 0.00 C ATOM 415 C GLU A 26 3.417 0.094 -6.219 1.00 0.00 C ATOM 416 O GLU A 26 2.578 -0.777 -6.473 1.00 0.00 O ATOM 417 CB GLU A 26 2.176 2.162 -6.918 1.00 0.00 C ATOM 418 CG GLU A 26 2.006 2.843 -5.586 1.00 0.00 C ATOM 419 CD GLU A 26 0.861 3.827 -5.576 1.00 0.00 C ATOM 420 OE1 GLU A 26 1.062 4.976 -6.029 1.00 0.00 O ATOM 421 OE2 GLU A 26 -0.241 3.458 -5.122 1.00 0.00 O ATOM 0 H GLU A 26 2.949 1.177 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 26 4.280 1.998 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.142 2.911 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.338 1.485 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.839 2.090 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.929 3.363 -5.328 1.00 0.00 H new ATOM 428 N ARG A 27 4.324 -0.023 -5.263 1.00 0.00 N ATOM 429 CA ARG A 27 4.454 -1.232 -4.475 1.00 0.00 C ATOM 430 C ARG A 27 3.487 -1.215 -3.313 1.00 0.00 C ATOM 431 O ARG A 27 3.448 -0.275 -2.516 1.00 0.00 O ATOM 432 CB ARG A 27 5.887 -1.385 -3.988 1.00 0.00 C ATOM 433 CG ARG A 27 6.202 -2.719 -3.335 1.00 0.00 C ATOM 434 CD ARG A 27 7.695 -2.843 -3.090 1.00 0.00 C ATOM 435 NE ARG A 27 8.063 -4.130 -2.512 1.00 0.00 N ATOM 436 CZ ARG A 27 9.142 -4.825 -2.868 1.00 0.00 C ATOM 437 NH1 ARG A 27 9.916 -4.408 -3.861 1.00 0.00 N ATOM 438 NH2 ARG A 27 9.430 -5.947 -2.237 1.00 0.00 N ATOM 0 H ARG A 27 4.985 0.713 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 27 4.209 -2.089 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.560 -1.243 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.100 -0.589 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.663 -2.807 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.862 -3.534 -3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.227 -2.706 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.018 -2.044 -2.423 1.00 0.00 H new ATOM 0 HE ARG A 27 7.457 -4.522 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.687 -3.548 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.740 -4.947 -4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.828 -6.277 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.255 -6.485 -2.504 1.00 0.00 H new ATOM 452 N VAL A 28 2.714 -2.271 -3.233 1.00 0.00 N ATOM 453 CA VAL A 28 1.637 -2.366 -2.263 1.00 0.00 C ATOM 454 C VAL A 28 1.665 -3.705 -1.536 1.00 0.00 C ATOM 455 O VAL A 28 2.354 -4.637 -1.955 1.00 0.00 O ATOM 456 CB VAL A 28 0.262 -2.199 -2.943 1.00 0.00 C ATOM 457 CG1 VAL A 28 0.137 -0.825 -3.584 1.00 0.00 C ATOM 458 CG2 VAL A 28 0.036 -3.300 -3.968 1.00 0.00 C ATOM 0 H VAL A 28 2.809 -3.089 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 28 1.787 -1.562 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.510 -2.282 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.841 -0.732 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.245 -0.056 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.917 -0.702 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.939 -3.166 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.815 -3.254 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.070 -4.271 -3.473 1.00 0.00 H new ATOM 468 N LYS A 29 0.904 -3.790 -0.454 1.00 0.00 N ATOM 469 CA LYS A 29 0.795 -5.007 0.315 1.00 0.00 C ATOM 470 C LYS A 29 -0.629 -5.514 0.260 1.00 0.00 C ATOM 471 O LYS A 29 -1.581 -4.740 0.362 1.00 0.00 O ATOM 472 CB LYS A 29 1.193 -4.764 1.760 1.00 0.00 C ATOM 473 CG LYS A 29 2.615 -4.268 1.923 1.00 0.00 C ATOM 474 CD LYS A 29 3.642 -5.253 1.394 1.00 0.00 C ATOM 475 CE LYS A 29 3.933 -6.351 2.402 1.00 0.00 C ATOM 476 NZ LYS A 29 4.408 -5.806 3.704 1.00 0.00 N ATOM 0 H LYS A 29 0.349 -3.015 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 29 1.468 -5.751 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.511 -4.036 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.074 -5.691 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.726 -3.318 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.810 -4.077 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.278 -5.696 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.565 -4.724 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.031 -6.942 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.687 -7.025 1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.007 -6.512 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.960 -4.940 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.590 -5.585 4.307 1.00 0.00 H new ATOM 490 N ILE A 30 -0.757 -6.809 0.107 1.00 0.00 N ATOM 491 CA ILE A 30 -2.056 -7.448 0.010 1.00 0.00 C ATOM 492 C ILE A 30 -2.199 -8.460 1.122 1.00 0.00 C ATOM 493 O ILE A 30 -1.244 -9.148 1.469 1.00 0.00 O ATOM 494 CB ILE A 30 -2.251 -8.197 -1.325 1.00 0.00 C ATOM 495 CG1 ILE A 30 -1.474 -7.539 -2.475 1.00 0.00 C ATOM 496 CG2 ILE A 30 -3.730 -8.275 -1.666 1.00 0.00 C ATOM 497 CD1 ILE A 30 -1.973 -6.165 -2.869 1.00 0.00 C ATOM 0 H ILE A 30 0.032 -7.453 0.046 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.802 -6.657 0.079 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.853 -9.204 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.425 -7.462 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.520 -8.191 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.858 -8.805 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.258 -8.808 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.136 -7.268 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.366 -5.778 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.013 -6.234 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.900 -5.493 -2.014 1.00 0.00 H new ATOM 509 N LYS A 31 -3.374 -8.536 1.694 1.00 0.00 N ATOM 510 CA LYS A 31 -3.652 -9.539 2.693 1.00 0.00 C ATOM 511 C LYS A 31 -5.140 -9.817 2.772 1.00 0.00 C ATOM 512 O LYS A 31 -5.965 -8.943 2.490 1.00 0.00 O ATOM 513 CB LYS A 31 -3.132 -9.103 4.062 1.00 0.00 C ATOM 514 CG LYS A 31 -3.231 -10.200 5.104 1.00 0.00 C ATOM 515 CD LYS A 31 -2.773 -9.730 6.468 1.00 0.00 C ATOM 516 CE LYS A 31 -2.771 -10.879 7.467 1.00 0.00 C ATOM 517 NZ LYS A 31 -2.342 -10.453 8.822 1.00 0.00 N ATOM 0 H LYS A 31 -4.155 -7.915 1.485 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.137 -10.454 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.092 -8.790 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.697 -8.234 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.262 -10.547 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.626 -11.052 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.772 -9.306 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.430 -8.936 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.771 -11.308 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.107 -11.666 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.358 -11.271 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.377 -10.068 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.990 -9.721 9.177 1.00 0.00 H new ATOM 531 N LEU A 32 -5.468 -11.042 3.131 1.00 0.00 N ATOM 532 CA LEU A 32 -6.830 -11.418 3.426 1.00 0.00 C ATOM 533 C LEU A 32 -7.054 -11.254 4.918 1.00 0.00 C ATOM 534 O LEU A 32 -6.370 -11.881 5.730 1.00 0.00 O ATOM 535 CB LEU A 32 -7.059 -12.858 2.985 1.00 0.00 C ATOM 536 CG LEU A 32 -6.705 -13.120 1.520 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.735 -14.602 1.204 1.00 0.00 C ATOM 538 CD2 LEU A 32 -7.657 -12.370 0.605 1.00 0.00 C ATOM 0 H LEU A 32 -4.795 -11.803 3.226 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.538 -10.786 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.466 -13.520 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.106 -13.116 3.148 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.691 -12.759 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.479 -14.756 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.014 -15.123 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.734 -14.995 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.393 -12.566 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.678 -12.704 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.584 -11.300 0.802 1.00 0.00 H new ATOM 606 N VAL A 36 -8.256 -17.013 9.233 1.00 0.00 N ATOM 607 CA VAL A 36 -8.378 -17.923 8.108 1.00 0.00 C ATOM 608 C VAL A 36 -9.199 -19.143 8.510 1.00 0.00 C ATOM 609 O VAL A 36 -9.027 -19.693 9.602 1.00 0.00 O ATOM 610 CB VAL A 36 -7.000 -18.386 7.593 1.00 0.00 C ATOM 611 CG1 VAL A 36 -7.137 -19.145 6.279 1.00 0.00 C ATOM 612 CG2 VAL A 36 -6.051 -17.204 7.438 1.00 0.00 C ATOM 0 HA VAL A 36 -8.879 -17.383 7.305 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.576 -19.065 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.151 -19.461 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.767 -20.022 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.591 -18.496 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.086 -17.557 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.469 -16.492 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.917 -16.716 8.403 1.00 0.00 H new ATOM 622 N GLU A 37 -10.099 -19.546 7.638 1.00 0.00 N ATOM 623 CA GLU A 37 -10.955 -20.679 7.885 1.00 0.00 C ATOM 624 C GLU A 37 -10.309 -21.957 7.360 1.00 0.00 C ATOM 625 O GLU A 37 -9.519 -21.917 6.414 1.00 0.00 O ATOM 626 CB GLU A 37 -12.305 -20.440 7.218 1.00 0.00 C ATOM 627 CG GLU A 37 -12.207 -20.100 5.739 1.00 0.00 C ATOM 628 CD GLU A 37 -13.553 -19.787 5.127 1.00 0.00 C ATOM 629 OE1 GLU A 37 -14.264 -20.736 4.731 1.00 0.00 O ATOM 630 OE2 GLU A 37 -13.913 -18.593 5.048 1.00 0.00 O ATOM 0 H GLU A 37 -10.255 -19.094 6.737 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.104 -20.797 8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.921 -21.331 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.817 -19.628 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.545 -19.244 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.755 -20.937 5.206 1.00 0.00 H new ATOM 637 N PRO A 38 -10.614 -23.105 7.979 1.00 0.00 N ATOM 638 CA PRO A 38 -10.091 -24.393 7.529 1.00 0.00 C ATOM 639 C PRO A 38 -10.751 -24.860 6.233 1.00 0.00 C ATOM 640 O PRO A 38 -11.705 -24.246 5.748 1.00 0.00 O ATOM 641 CB PRO A 38 -10.437 -25.340 8.678 1.00 0.00 C ATOM 642 CG PRO A 38 -11.625 -24.725 9.331 1.00 0.00 C ATOM 643 CD PRO A 38 -11.472 -23.236 9.169 1.00 0.00 C ATOM 0 HA PRO A 38 -9.025 -24.347 7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.661 -26.342 8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.606 -25.435 9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.548 -25.074 8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.675 -24.998 10.385 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.435 -22.747 9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.012 -22.782 10.047 1.00 0.00 H new ATOM 651 N ILE A 39 -10.247 -25.955 5.682 1.00 0.00 N ATOM 652 CA ILE A 39 -10.753 -26.488 4.440 1.00 0.00 C ATOM 653 C ILE A 39 -11.077 -27.970 4.571 1.00 0.00 C ATOM 654 O ILE A 39 -10.298 -28.736 5.150 1.00 0.00 O ATOM 655 CB ILE A 39 -9.732 -26.297 3.306 1.00 0.00 C ATOM 656 CG1 ILE A 39 -8.320 -26.660 3.782 1.00 0.00 C ATOM 657 CG2 ILE A 39 -9.783 -24.867 2.783 1.00 0.00 C ATOM 658 CD1 ILE A 39 -7.261 -26.537 2.704 1.00 0.00 C ATOM 0 H ILE A 39 -9.480 -26.492 6.086 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.666 -25.942 4.202 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.991 -26.968 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.051 -26.014 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.325 -27.683 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.055 -24.747 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.782 -24.655 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.549 -24.175 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.289 -26.810 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.505 -27.204 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.226 -25.509 2.344 1.00 0.00 H new ATOM 670 N ASP A 40 -12.228 -28.359 4.025 1.00 0.00 N ATOM 671 CA ASP A 40 -12.668 -29.751 3.991 1.00 0.00 C ATOM 672 C ASP A 40 -12.717 -30.355 5.410 1.00 0.00 C ATOM 673 O ASP A 40 -12.816 -29.621 6.397 1.00 0.00 O ATOM 674 CB ASP A 40 -11.731 -30.517 3.056 1.00 0.00 C ATOM 675 CG ASP A 40 -12.219 -31.908 2.708 1.00 0.00 C ATOM 676 OD1 ASP A 40 -13.153 -32.024 1.892 1.00 0.00 O ATOM 677 OD2 ASP A 40 -11.667 -32.892 3.246 1.00 0.00 O ATOM 0 H ASP A 40 -12.886 -27.711 3.591 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.686 -29.821 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.604 -29.946 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.749 -30.593 3.523 1.00 0.00 H new ATOM 682 N LEU A 41 -12.675 -31.677 5.516 1.00 0.00 N ATOM 683 CA LEU A 41 -12.778 -32.338 6.806 1.00 0.00 C ATOM 684 C LEU A 41 -11.416 -32.824 7.286 1.00 0.00 C ATOM 685 O LEU A 41 -10.450 -32.855 6.519 1.00 0.00 O ATOM 686 CB LEU A 41 -13.792 -33.490 6.735 1.00 0.00 C ATOM 687 CG LEU A 41 -13.641 -34.464 5.554 1.00 0.00 C ATOM 688 CD1 LEU A 41 -12.522 -35.465 5.798 1.00 0.00 C ATOM 689 CD2 LEU A 41 -14.952 -35.190 5.295 1.00 0.00 C ATOM 0 H LEU A 41 -12.570 -32.310 4.723 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.138 -31.613 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -13.724 -34.062 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.794 -33.061 6.698 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.380 -33.879 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.443 -36.138 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.580 -34.933 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.740 -36.043 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.829 -35.875 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.239 -35.752 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.730 -34.464 5.059 1.00 0.00 H new ATOM 701 N GLY A 42 -11.348 -33.204 8.556 1.00 0.00 N ATOM 702 CA GLY A 42 -10.085 -33.595 9.153 1.00 0.00 C ATOM 703 C GLY A 42 -9.807 -35.081 9.056 1.00 0.00 C ATOM 704 O GLY A 42 -9.940 -35.680 7.990 1.00 0.00 O ATOM 0 H GLY A 42 -12.149 -33.248 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.277 -33.049 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.081 -33.300 10.202 1.00 0.00 H new ATOM 708 N GLU A 43 -9.415 -35.672 10.178 1.00 0.00 N ATOM 709 CA GLU A 43 -8.988 -37.056 10.215 1.00 0.00 C ATOM 710 C GLU A 43 -10.034 -37.951 10.875 1.00 0.00 C ATOM 711 O GLU A 43 -10.247 -37.880 12.085 1.00 0.00 O ATOM 712 CB GLU A 43 -7.680 -37.142 10.990 1.00 0.00 C ATOM 713 CG GLU A 43 -6.566 -36.302 10.393 1.00 0.00 C ATOM 714 CD GLU A 43 -5.387 -36.158 11.326 1.00 0.00 C ATOM 715 OE1 GLU A 43 -4.573 -37.096 11.416 1.00 0.00 O ATOM 716 OE2 GLU A 43 -5.263 -35.097 11.974 1.00 0.00 O ATOM 0 H GLU A 43 -9.386 -35.203 11.083 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.853 -37.405 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.854 -36.823 12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.358 -38.183 11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.233 -36.756 9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.953 -35.313 10.146 1.00 0.00 H new ATOM 723 N PRO A 44 -10.717 -38.793 10.087 1.00 0.00 N ATOM 724 CA PRO A 44 -11.645 -39.792 10.610 1.00 0.00 C ATOM 725 C PRO A 44 -10.901 -41.010 11.164 1.00 0.00 C ATOM 726 O PRO A 44 -10.228 -41.727 10.420 1.00 0.00 O ATOM 727 CB PRO A 44 -12.489 -40.187 9.385 1.00 0.00 C ATOM 728 CG PRO A 44 -12.047 -39.288 8.271 1.00 0.00 C ATOM 729 CD PRO A 44 -10.664 -38.827 8.626 1.00 0.00 C ATOM 0 HA PRO A 44 -12.243 -39.408 11.437 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.334 -41.234 9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.553 -40.063 9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.048 -39.819 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.724 -38.440 8.163 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.900 -39.514 8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.440 -37.847 8.204 1.00 0.00 H new ATOM 737 N VAL A 45 -11.003 -41.228 12.466 1.00 0.00 N ATOM 738 CA VAL A 45 -10.321 -42.349 13.104 1.00 0.00 C ATOM 739 C VAL A 45 -11.296 -43.486 13.385 1.00 0.00 C ATOM 740 O VAL A 45 -12.510 -43.285 13.455 1.00 0.00 O ATOM 741 CB VAL A 45 -9.611 -41.915 14.409 1.00 0.00 C ATOM 742 CG1 VAL A 45 -10.601 -41.330 15.407 1.00 0.00 C ATOM 743 CG2 VAL A 45 -8.807 -43.055 15.029 1.00 0.00 C ATOM 0 H VAL A 45 -11.549 -40.647 13.102 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.559 -42.705 12.410 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.901 -41.132 14.143 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.072 -41.035 16.313 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.086 -40.458 14.969 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.354 -42.078 15.654 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.326 -42.706 15.943 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.474 -43.885 15.264 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.047 -43.390 14.323 1.00 0.00 H new ATOM 753 N SER A 46 -10.752 -44.673 13.537 1.00 0.00 N ATOM 754 CA SER A 46 -11.542 -45.871 13.742 1.00 0.00 C ATOM 755 C SER A 46 -11.562 -46.262 15.222 1.00 0.00 C ATOM 756 O SER A 46 -10.724 -45.807 16.005 1.00 0.00 O ATOM 757 CB SER A 46 -10.937 -47.000 12.924 1.00 0.00 C ATOM 758 OG SER A 46 -10.406 -46.518 11.696 1.00 0.00 O ATOM 0 H SER A 46 -9.745 -44.837 13.522 1.00 0.00 H new ATOM 0 HA SER A 46 -12.568 -45.682 13.425 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.148 -47.486 13.498 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.697 -47.755 12.723 1.00 0.00 H new ATOM 0 HG SER A 46 -10.022 -47.264 11.190 1.00 0.00 H new ATOM 764 N VAL A 47 -12.514 -47.108 15.597 1.00 0.00 N ATOM 765 CA VAL A 47 -12.604 -47.603 16.954 1.00 0.00 C ATOM 766 C VAL A 47 -12.654 -49.129 16.984 1.00 0.00 C ATOM 767 O VAL A 47 -13.524 -49.761 16.380 1.00 0.00 O ATOM 768 CB VAL A 47 -13.820 -47.001 17.680 1.00 0.00 C ATOM 769 CG1 VAL A 47 -15.122 -47.296 16.946 1.00 0.00 C ATOM 770 CG2 VAL A 47 -13.894 -47.487 19.117 1.00 0.00 C ATOM 0 H VAL A 47 -13.236 -47.464 14.971 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.704 -47.288 17.482 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.685 -45.919 17.689 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -15.956 -46.854 17.492 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.079 -46.871 15.943 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.265 -48.374 16.878 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.763 -47.046 19.606 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.983 -48.573 19.130 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.989 -47.191 19.648 1.00 0.00 H new ATOM 780 N GLU A 48 -11.692 -49.716 17.672 1.00 0.00 N ATOM 781 CA GLU A 48 -11.594 -51.159 17.761 1.00 0.00 C ATOM 782 C GLU A 48 -11.085 -51.596 19.134 1.00 0.00 C ATOM 783 O GLU A 48 -11.551 -52.583 19.698 1.00 0.00 O ATOM 784 CB GLU A 48 -10.670 -51.645 16.642 1.00 0.00 C ATOM 785 CG GLU A 48 -10.573 -53.150 16.503 1.00 0.00 C ATOM 786 CD GLU A 48 -9.372 -53.735 17.218 1.00 0.00 C ATOM 787 OE1 GLU A 48 -8.420 -52.981 17.506 1.00 0.00 O ATOM 788 OE2 GLU A 48 -9.363 -54.958 17.469 1.00 0.00 O ATOM 0 H GLU A 48 -10.965 -49.212 18.179 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.581 -51.605 17.641 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.019 -51.229 15.697 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.671 -51.246 16.817 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.481 -53.605 16.898 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.521 -53.409 15.445 1.00 0.00 H new ATOM 795 N GLU A 49 -10.170 -50.818 19.681 1.00 0.00 N ATOM 796 CA GLU A 49 -9.538 -51.134 20.958 1.00 0.00 C ATOM 797 C GLU A 49 -10.381 -50.620 22.120 1.00 0.00 C ATOM 798 O GLU A 49 -10.330 -51.144 23.233 1.00 0.00 O ATOM 799 CB GLU A 49 -8.135 -50.520 20.998 1.00 0.00 C ATOM 800 CG GLU A 49 -7.285 -50.979 22.172 1.00 0.00 C ATOM 801 CD GLU A 49 -5.891 -50.387 22.143 1.00 0.00 C ATOM 802 OE1 GLU A 49 -4.996 -50.975 21.496 1.00 0.00 O ATOM 803 OE2 GLU A 49 -5.677 -49.324 22.766 1.00 0.00 O ATOM 0 H GLU A 49 -9.841 -49.950 19.258 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.458 -52.217 21.056 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.617 -50.766 20.071 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.227 -49.434 21.033 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.776 -50.699 23.104 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.215 -52.067 22.163 1.00 0.00 H new ATOM 810 N ILE A 50 -11.168 -49.593 21.843 1.00 0.00 N ATOM 811 CA ILE A 50 -11.958 -48.921 22.873 1.00 0.00 C ATOM 812 C ILE A 50 -13.271 -49.670 23.135 1.00 0.00 C ATOM 813 O ILE A 50 -14.087 -49.260 23.962 1.00 0.00 O ATOM 814 CB ILE A 50 -12.261 -47.455 22.467 1.00 0.00 C ATOM 815 CG1 ILE A 50 -10.996 -46.794 21.909 1.00 0.00 C ATOM 816 CG2 ILE A 50 -12.777 -46.656 23.661 1.00 0.00 C ATOM 817 CD1 ILE A 50 -11.217 -45.385 21.399 1.00 0.00 C ATOM 0 H ILE A 50 -11.280 -49.201 20.908 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.369 -48.918 23.790 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.033 -47.466 21.698 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.234 -46.773 22.688 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.605 -47.407 21.097 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.982 -45.631 23.352 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.693 -47.112 24.036 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.024 -46.653 24.449 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.277 -44.984 21.020 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.955 -45.400 20.597 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.578 -44.756 22.213 1.00 0.00 H new ATOM 829 N LYS A 51 -13.464 -50.784 22.443 1.00 0.00 N ATOM 830 CA LYS A 51 -14.687 -51.565 22.583 1.00 0.00 C ATOM 831 C LYS A 51 -14.470 -52.735 23.540 1.00 0.00 C ATOM 832 O LYS A 51 -13.450 -53.421 23.477 1.00 0.00 O ATOM 833 CB LYS A 51 -15.156 -52.074 21.217 1.00 0.00 C ATOM 834 CG LYS A 51 -16.458 -52.866 21.272 1.00 0.00 C ATOM 835 CD LYS A 51 -16.894 -53.336 19.893 1.00 0.00 C ATOM 836 CE LYS A 51 -15.839 -54.219 19.251 1.00 0.00 C ATOM 837 NZ LYS A 51 -16.245 -54.671 17.895 1.00 0.00 N ATOM 0 H LYS A 51 -12.791 -51.168 21.780 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.461 -50.919 22.998 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.286 -51.224 20.547 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.377 -52.703 20.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.331 -53.729 21.926 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.241 -52.247 21.709 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.831 -53.886 19.974 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.085 -52.472 19.256 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.899 -53.672 19.185 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.658 -55.088 19.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.498 -55.271 17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.129 -55.215 17.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.393 -53.843 17.283 1.00 0.00 H new ATOM 1211 N ILE B 4 1.471 -11.590 3.896 1.00 0.00 N ATOM 1212 CA ILE B 4 1.256 -10.363 3.177 1.00 0.00 C ATOM 1213 C ILE B 4 1.893 -10.438 1.794 1.00 0.00 C ATOM 1214 O ILE B 4 3.062 -10.803 1.644 1.00 0.00 O ATOM 1215 CB ILE B 4 1.793 -9.140 3.942 1.00 0.00 C ATOM 1216 CG1 ILE B 4 3.315 -9.201 4.142 1.00 0.00 C ATOM 1217 CG2 ILE B 4 1.077 -8.991 5.275 1.00 0.00 C ATOM 1218 CD1 ILE B 4 3.796 -10.118 5.252 1.00 0.00 C ATOM 0 HA ILE B 4 0.179 -10.236 3.072 1.00 0.00 H new ATOM 0 HB ILE B 4 1.589 -8.260 3.332 1.00 0.00 H new ATOM 0 HG12 ILE B 4 3.773 -9.522 3.207 1.00 0.00 H new ATOM 0 HG13 ILE B 4 3.677 -8.193 4.346 1.00 0.00 H new ATOM 0 HG21 ILE B 4 1.469 -8.122 5.803 1.00 0.00 H new ATOM 0 HG22 ILE B 4 0.009 -8.860 5.102 1.00 0.00 H new ATOM 0 HG23 ILE B 4 1.239 -9.885 5.877 1.00 0.00 H new ATOM 0 HD11 ILE B 4 4.884 -10.085 5.305 1.00 0.00 H new ATOM 0 HD12 ILE B 4 3.376 -9.790 6.203 1.00 0.00 H new ATOM 0 HD13 ILE B 4 3.474 -11.139 5.046 1.00 0.00 H new ATOM 1230 N ILE B 5 1.105 -10.112 0.791 1.00 0.00 N ATOM 1231 CA ILE B 5 1.557 -10.144 -0.585 1.00 0.00 C ATOM 1232 C ILE B 5 2.133 -8.784 -0.965 1.00 0.00 C ATOM 1233 O ILE B 5 1.773 -7.768 -0.376 1.00 0.00 O ATOM 1234 CB ILE B 5 0.397 -10.477 -1.549 1.00 0.00 C ATOM 1235 CG1 ILE B 5 -0.462 -11.629 -1.002 1.00 0.00 C ATOM 1236 CG2 ILE B 5 0.925 -10.821 -2.936 1.00 0.00 C ATOM 1237 CD1 ILE B 5 0.281 -12.940 -0.855 1.00 0.00 C ATOM 0 H ILE B 5 0.135 -9.818 0.906 1.00 0.00 H new ATOM 0 HA ILE B 5 2.318 -10.920 -0.670 1.00 0.00 H new ATOM 0 HB ILE B 5 -0.232 -9.591 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE B 5 -0.862 -11.340 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE B 5 -1.314 -11.779 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE B 5 0.089 -11.052 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE B 5 1.479 -9.972 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE B 5 1.585 -11.686 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -0.396 -13.700 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE B 5 0.658 -13.256 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE B 5 1.117 -12.810 -0.167 1.00 0.00 H new ATOM 1249 N GLU B 6 3.029 -8.775 -1.933 1.00 0.00 N ATOM 1250 CA GLU B 6 3.586 -7.545 -2.461 1.00 0.00 C ATOM 1251 C GLU B 6 3.372 -7.506 -3.966 1.00 0.00 C ATOM 1252 O GLU B 6 3.664 -8.483 -4.662 1.00 0.00 O ATOM 1253 CB GLU B 6 5.077 -7.451 -2.142 1.00 0.00 C ATOM 1254 CG GLU B 6 5.389 -7.280 -0.670 1.00 0.00 C ATOM 1255 CD GLU B 6 6.866 -7.101 -0.407 1.00 0.00 C ATOM 1256 OE1 GLU B 6 7.343 -5.950 -0.441 1.00 0.00 O ATOM 1257 OE2 GLU B 6 7.561 -8.107 -0.159 1.00 0.00 O ATOM 0 H GLU B 6 3.391 -9.620 -2.375 1.00 0.00 H new ATOM 0 HA GLU B 6 3.083 -6.697 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU B 6 5.572 -8.352 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU B 6 5.502 -6.611 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU B 6 4.848 -6.416 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU B 6 5.029 -8.151 -0.122 1.00 0.00 H new ATOM 1264 N ALA B 7 2.848 -6.396 -4.464 1.00 0.00 N ATOM 1265 CA ALA B 7 2.553 -6.260 -5.882 1.00 0.00 C ATOM 1266 C ALA B 7 2.827 -4.828 -6.347 1.00 0.00 C ATOM 1267 O ALA B 7 2.953 -3.926 -5.519 1.00 0.00 O ATOM 1268 CB ALA B 7 1.096 -6.620 -6.144 1.00 0.00 C ATOM 0 H ALA B 7 2.618 -5.574 -3.905 1.00 0.00 H new ATOM 0 HA ALA B 7 3.197 -6.939 -6.441 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.881 -6.516 -7.208 1.00 0.00 H new ATOM 0 HB2 ALA B 7 0.915 -7.650 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA B 7 0.448 -5.952 -5.576 1.00 0.00 H new ATOM 1274 N VAL B 8 2.933 -4.627 -7.659 1.00 0.00 N ATOM 1275 CA VAL B 8 3.131 -3.304 -8.227 1.00 0.00 C ATOM 1276 C VAL B 8 2.112 -2.995 -9.339 1.00 0.00 C ATOM 1277 O VAL B 8 2.069 -3.668 -10.363 1.00 0.00 O ATOM 1278 CB VAL B 8 4.560 -3.154 -8.792 1.00 0.00 C ATOM 1279 CG1 VAL B 8 5.566 -2.956 -7.670 1.00 0.00 C ATOM 1280 CG2 VAL B 8 4.953 -4.359 -9.636 1.00 0.00 C ATOM 0 H VAL B 8 2.884 -5.375 -8.351 1.00 0.00 H new ATOM 0 HA VAL B 8 2.983 -2.591 -7.416 1.00 0.00 H new ATOM 0 HB VAL B 8 4.567 -2.272 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.566 -2.853 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.314 -2.056 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL B 8 5.541 -3.817 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.964 -4.221 -10.018 1.00 0.00 H new ATOM 0 HG22 VAL B 8 4.916 -5.260 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.260 -4.460 -10.471 1.00 0.00 H new ATOM 1290 N TYR B 9 1.284 -1.982 -9.108 1.00 0.00 N ATOM 1291 CA TYR B 9 0.319 -1.490 -10.104 1.00 0.00 C ATOM 1292 C TYR B 9 1.047 -0.897 -11.299 1.00 0.00 C ATOM 1293 O TYR B 9 1.624 0.187 -11.229 1.00 0.00 O ATOM 1294 CB TYR B 9 -0.577 -0.438 -9.431 1.00 0.00 C ATOM 1295 CG TYR B 9 -1.707 0.151 -10.262 1.00 0.00 C ATOM 1296 CD1 TYR B 9 -1.475 0.746 -11.497 1.00 0.00 C ATOM 1297 CD2 TYR B 9 -3.009 0.159 -9.768 1.00 0.00 C ATOM 1298 CE1 TYR B 9 -2.502 1.318 -12.220 1.00 0.00 C ATOM 1299 CE2 TYR B 9 -4.041 0.737 -10.480 1.00 0.00 C ATOM 1300 CZ TYR B 9 -3.783 1.319 -11.705 1.00 0.00 C ATOM 1301 OH TYR B 9 -4.806 1.898 -12.418 1.00 0.00 O ATOM 0 H TYR B 9 1.257 -1.473 -8.225 1.00 0.00 H new ATOM 0 HA TYR B 9 -0.295 -2.313 -10.469 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -1.013 -0.888 -8.539 1.00 0.00 H new ATOM 0 HB3 TYR B 9 0.058 0.382 -9.096 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -0.472 0.761 -11.898 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -3.215 -0.295 -8.810 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -2.305 1.763 -13.184 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -5.045 0.734 -10.081 1.00 0.00 H new ATOM 0 HH TYR B 9 -5.644 1.813 -11.916 1.00 0.00 H new ATOM 1311 N GLU B 10 1.017 -1.636 -12.381 1.00 0.00 N ATOM 1312 CA GLU B 10 1.572 -1.211 -13.635 1.00 0.00 C ATOM 1313 C GLU B 10 0.562 -1.407 -14.735 1.00 0.00 C ATOM 1314 O GLU B 10 -0.080 -2.456 -14.821 1.00 0.00 O ATOM 1315 CB GLU B 10 2.807 -2.026 -13.972 1.00 0.00 C ATOM 1316 CG GLU B 10 4.079 -1.582 -13.268 1.00 0.00 C ATOM 1317 CD GLU B 10 5.285 -2.381 -13.714 1.00 0.00 C ATOM 1318 OE1 GLU B 10 5.450 -3.523 -13.244 1.00 0.00 O ATOM 1319 OE2 GLU B 10 6.066 -1.876 -14.548 1.00 0.00 O ATOM 0 H GLU B 10 0.598 -2.565 -12.411 1.00 0.00 H new ATOM 0 HA GLU B 10 1.838 -0.158 -13.549 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.616 -3.069 -13.721 1.00 0.00 H new ATOM 0 HB3 GLU B 10 2.971 -1.982 -15.049 1.00 0.00 H new ATOM 0 HG2 GLU B 10 4.252 -0.524 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU B 10 3.953 -1.688 -12.191 1.00 0.00 H new ATOM 1326 N ASN B 11 0.421 -0.389 -15.559 1.00 0.00 N ATOM 1327 CA ASN B 11 -0.362 -0.484 -16.782 1.00 0.00 C ATOM 1328 C ASN B 11 -1.795 -0.862 -16.491 1.00 0.00 C ATOM 1329 O ASN B 11 -2.444 -1.528 -17.301 1.00 0.00 O ATOM 1330 CB ASN B 11 0.262 -1.537 -17.697 1.00 0.00 C ATOM 1331 CG ASN B 11 0.195 -1.164 -19.164 1.00 0.00 C ATOM 1332 OD1 ASN B 11 1.061 -0.454 -19.671 1.00 0.00 O ATOM 1333 ND2 ASN B 11 -0.831 -1.635 -19.853 1.00 0.00 N ATOM 0 H ASN B 11 0.843 0.527 -15.404 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.359 0.492 -17.267 1.00 0.00 H new ATOM 0 HB2 ASN B 11 1.304 -1.685 -17.413 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.248 -2.489 -17.546 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -0.925 -1.412 -20.844 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -1.528 -2.221 -19.394 1.00 0.00 H new ATOM 1340 N GLY B 12 -2.313 -0.433 -15.355 1.00 0.00 N ATOM 1341 CA GLY B 12 -3.573 -0.982 -14.956 1.00 0.00 C ATOM 1342 C GLY B 12 -3.485 -1.681 -13.634 1.00 0.00 C ATOM 1343 O GLY B 12 -4.094 -1.293 -12.650 1.00 0.00 O ATOM 0 H GLY B 12 -1.900 0.257 -14.728 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -4.314 -0.185 -14.896 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -3.920 -1.683 -15.715 1.00 0.00 H new ATOM 1347 N VAL B 13 -2.780 -2.773 -13.653 1.00 0.00 N ATOM 1348 CA VAL B 13 -2.982 -3.820 -12.673 1.00 0.00 C ATOM 1349 C VAL B 13 -1.866 -3.869 -11.652 1.00 0.00 C ATOM 1350 O VAL B 13 -0.750 -3.461 -11.928 1.00 0.00 O ATOM 1351 CB VAL B 13 -3.068 -5.184 -13.374 1.00 0.00 C ATOM 1352 CG1 VAL B 13 -4.040 -5.100 -14.533 1.00 0.00 C ATOM 1353 CG2 VAL B 13 -1.705 -5.647 -13.868 1.00 0.00 C ATOM 0 H VAL B 13 -2.052 -2.971 -14.339 1.00 0.00 H new ATOM 0 HA VAL B 13 -3.913 -3.596 -12.153 1.00 0.00 H new ATOM 0 HB VAL B 13 -3.423 -5.916 -12.649 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -4.099 -6.069 -15.029 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -5.026 -4.821 -14.161 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -3.695 -4.349 -15.244 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -1.805 -6.615 -14.358 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -1.309 -4.920 -14.577 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -1.023 -5.737 -13.023 1.00 0.00 H new ATOM 1363 N PHE B 14 -2.167 -4.409 -10.484 1.00 0.00 N ATOM 1364 CA PHE B 14 -1.144 -4.688 -9.508 1.00 0.00 C ATOM 1365 C PHE B 14 -0.550 -6.040 -9.836 1.00 0.00 C ATOM 1366 O PHE B 14 -1.224 -7.069 -9.762 1.00 0.00 O ATOM 1367 CB PHE B 14 -1.715 -4.725 -8.085 1.00 0.00 C ATOM 1368 CG PHE B 14 -2.214 -3.415 -7.547 1.00 0.00 C ATOM 1369 CD1 PHE B 14 -1.342 -2.530 -6.939 1.00 0.00 C ATOM 1370 CD2 PHE B 14 -3.554 -3.078 -7.625 1.00 0.00 C ATOM 1371 CE1 PHE B 14 -1.794 -1.335 -6.415 1.00 0.00 C ATOM 1372 CE2 PHE B 14 -4.014 -1.881 -7.106 1.00 0.00 C ATOM 1373 CZ PHE B 14 -3.131 -1.007 -6.500 1.00 0.00 C ATOM 0 H PHE B 14 -3.112 -4.661 -10.194 1.00 0.00 H new ATOM 0 HA PHE B 14 -0.393 -3.899 -9.545 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -2.536 -5.442 -8.062 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -0.943 -5.102 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -0.293 -2.777 -6.873 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -4.249 -3.757 -8.097 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -1.101 -0.657 -5.939 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.062 -1.630 -7.174 1.00 0.00 H new ATOM 0 HZ PHE B 14 -3.487 -0.071 -6.095 1.00 0.00 H new ATOM 1383 N LYS B 15 0.699 -6.023 -10.221 1.00 0.00 N ATOM 1384 CA LYS B 15 1.412 -7.226 -10.560 1.00 0.00 C ATOM 1385 C LYS B 15 2.232 -7.658 -9.365 1.00 0.00 C ATOM 1386 O LYS B 15 3.153 -6.947 -8.967 1.00 0.00 O ATOM 1387 CB LYS B 15 2.345 -6.952 -11.732 1.00 0.00 C ATOM 1388 CG LYS B 15 1.640 -6.546 -13.013 1.00 0.00 C ATOM 1389 CD LYS B 15 2.553 -5.713 -13.901 1.00 0.00 C ATOM 1390 CE LYS B 15 3.867 -6.425 -14.183 1.00 0.00 C ATOM 1391 NZ LYS B 15 4.838 -5.544 -14.882 1.00 0.00 N ATOM 0 H LYS B 15 1.252 -5.171 -10.309 1.00 0.00 H new ATOM 0 HA LYS B 15 0.705 -8.009 -10.835 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.042 -6.163 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS B 15 2.938 -7.846 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS B 15 1.317 -7.437 -13.552 1.00 0.00 H new ATOM 0 HG3 LYS B 15 0.742 -5.976 -12.773 1.00 0.00 H new ATOM 0 HD2 LYS B 15 2.047 -5.497 -14.842 1.00 0.00 H new ATOM 0 HD3 LYS B 15 2.754 -4.756 -13.420 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.301 -6.770 -13.245 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.677 -7.310 -14.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.511 -6.127 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 4.328 -4.913 -15.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.356 -4.974 -14.183 1.00 0.00 H new ATOM 1405 N PRO B 16 1.912 -8.797 -8.752 1.00 0.00 N ATOM 1406 CA PRO B 16 2.642 -9.250 -7.580 1.00 0.00 C ATOM 1407 C PRO B 16 4.110 -9.511 -7.890 1.00 0.00 C ATOM 1408 O PRO B 16 4.520 -9.595 -9.052 1.00 0.00 O ATOM 1409 CB PRO B 16 1.931 -10.551 -7.185 1.00 0.00 C ATOM 1410 CG PRO B 16 1.156 -10.968 -8.390 1.00 0.00 C ATOM 1411 CD PRO B 16 0.837 -9.714 -9.144 1.00 0.00 C ATOM 0 HA PRO B 16 2.644 -8.503 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.650 -11.318 -6.897 1.00 0.00 H new ATOM 0 HB3 PRO B 16 1.272 -10.394 -6.331 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.736 -11.654 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO B 16 0.244 -11.491 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO B 16 0.827 -9.884 -10.221 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.144 -9.322 -8.874 1.00 0.00 H new ATOM 1419 N LEU B 17 4.882 -9.668 -6.841 1.00 0.00 N ATOM 1420 CA LEU B 17 6.275 -10.049 -6.963 1.00 0.00 C ATOM 1421 C LEU B 17 6.431 -11.429 -6.368 1.00 0.00 C ATOM 1422 O LEU B 17 7.452 -12.099 -6.532 1.00 0.00 O ATOM 1423 CB LEU B 17 7.199 -9.049 -6.250 1.00 0.00 C ATOM 1424 CG LEU B 17 7.243 -7.635 -6.844 1.00 0.00 C ATOM 1425 CD1 LEU B 17 6.068 -6.795 -6.362 1.00 0.00 C ATOM 1426 CD2 LEU B 17 8.562 -6.956 -6.502 1.00 0.00 C ATOM 0 H LEU B 17 4.566 -9.536 -5.880 1.00 0.00 H new ATOM 0 HA LEU B 17 6.562 -10.049 -8.015 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.887 -8.975 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.211 -9.454 -6.252 1.00 0.00 H new ATOM 0 HG LEU B 17 7.166 -7.724 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.128 -5.799 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.134 -7.269 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.099 -6.715 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.577 -5.954 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.667 -6.889 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.388 -7.538 -6.911 1.00 0.00 H new ATOM 1438 N GLN B 18 5.383 -11.842 -5.674 1.00 0.00 N ATOM 1439 CA GLN B 18 5.339 -13.175 -5.090 1.00 0.00 C ATOM 1440 C GLN B 18 4.147 -13.949 -5.637 1.00 0.00 C ATOM 1441 O GLN B 18 3.218 -13.359 -6.192 1.00 0.00 O ATOM 1442 CB GLN B 18 5.299 -13.111 -3.561 1.00 0.00 C ATOM 1443 CG GLN B 18 4.113 -12.352 -2.996 1.00 0.00 C ATOM 1444 CD GLN B 18 4.057 -12.403 -1.482 1.00 0.00 C ATOM 1445 OE1 GLN B 18 3.452 -13.300 -0.902 1.00 0.00 O ATOM 1446 NE2 GLN B 18 4.693 -11.441 -0.831 1.00 0.00 N ATOM 0 H GLN B 18 4.552 -11.276 -5.501 1.00 0.00 H new ATOM 0 HA GLN B 18 6.252 -13.701 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN B 18 5.285 -14.127 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.217 -12.643 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.164 -11.312 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.192 -12.768 -3.404 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.185 -10.713 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.691 -11.428 0.189 1.00 0.00 H new ATOM 1455 N LYS B 19 4.188 -15.265 -5.496 1.00 0.00 N ATOM 1456 CA LYS B 19 3.171 -16.130 -6.065 1.00 0.00 C ATOM 1457 C LYS B 19 1.892 -16.131 -5.236 1.00 0.00 C ATOM 1458 O LYS B 19 1.924 -16.272 -4.009 1.00 0.00 O ATOM 1459 CB LYS B 19 3.713 -17.546 -6.198 1.00 0.00 C ATOM 1460 CG LYS B 19 2.756 -18.502 -6.871 1.00 0.00 C ATOM 1461 CD LYS B 19 3.352 -19.894 -6.987 1.00 0.00 C ATOM 1462 CE LYS B 19 2.429 -20.832 -7.748 1.00 0.00 C ATOM 1463 NZ LYS B 19 2.194 -20.374 -9.144 1.00 0.00 N ATOM 0 H LYS B 19 4.922 -15.759 -4.988 1.00 0.00 H new ATOM 0 HA LYS B 19 2.918 -15.741 -7.051 1.00 0.00 H new ATOM 0 HB2 LYS B 19 4.643 -17.518 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS B 19 3.956 -17.927 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS B 19 1.827 -18.549 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS B 19 2.504 -18.129 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS B 19 4.315 -19.838 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS B 19 3.540 -20.295 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS B 19 2.861 -21.832 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS B 19 1.475 -20.905 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 1.796 -21.155 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 1.527 -19.576 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 3.095 -20.070 -9.566 1.00 0.00 H new ATOM 1477 N VAL B 20 0.777 -15.967 -5.928 1.00 0.00 N ATOM 1478 CA VAL B 20 -0.536 -15.962 -5.304 1.00 0.00 C ATOM 1479 C VAL B 20 -1.476 -16.848 -6.074 1.00 0.00 C ATOM 1480 O VAL B 20 -1.397 -16.976 -7.299 1.00 0.00 O ATOM 1481 CB VAL B 20 -1.154 -14.547 -5.221 1.00 0.00 C ATOM 1482 CG1 VAL B 20 -2.149 -14.454 -4.073 1.00 0.00 C ATOM 1483 CG2 VAL B 20 -0.086 -13.473 -5.086 1.00 0.00 C ATOM 0 H VAL B 20 0.756 -15.833 -6.939 1.00 0.00 H new ATOM 0 HA VAL B 20 -0.397 -16.331 -4.288 1.00 0.00 H new ATOM 0 HB VAL B 20 -1.685 -14.372 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -2.569 -13.449 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.950 -15.177 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -1.641 -14.669 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -0.560 -12.493 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.493 -13.648 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL B 20 0.576 -13.507 -5.951 1.00 0.00 H new ATOM 1493 N ASP B 21 -2.333 -17.493 -5.333 1.00 0.00 N ATOM 1494 CA ASP B 21 -3.423 -18.220 -5.907 1.00 0.00 C ATOM 1495 C ASP B 21 -4.563 -18.203 -4.940 1.00 0.00 C ATOM 1496 O ASP B 21 -4.695 -19.054 -4.063 1.00 0.00 O ATOM 1497 CB ASP B 21 -2.998 -19.634 -6.203 1.00 0.00 C ATOM 1498 CG ASP B 21 -4.083 -20.462 -6.872 1.00 0.00 C ATOM 1499 OD1 ASP B 21 -4.147 -20.467 -8.115 1.00 0.00 O ATOM 1500 OD2 ASP B 21 -4.864 -21.130 -6.156 1.00 0.00 O ATOM 0 H ASP B 21 -2.293 -17.528 -4.314 1.00 0.00 H new ATOM 0 HA ASP B 21 -3.733 -17.758 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -2.118 -19.614 -6.846 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.702 -20.119 -5.273 1.00 0.00 H new ATOM 1505 N LEU B 22 -5.330 -17.166 -5.076 1.00 0.00 N ATOM 1506 CA LEU B 22 -6.577 -17.040 -4.350 1.00 0.00 C ATOM 1507 C LEU B 22 -7.760 -17.173 -5.298 1.00 0.00 C ATOM 1508 O LEU B 22 -8.910 -17.247 -4.891 1.00 0.00 O ATOM 1509 CB LEU B 22 -6.584 -15.687 -3.661 1.00 0.00 C ATOM 1510 CG LEU B 22 -5.432 -15.460 -2.684 1.00 0.00 C ATOM 1511 CD1 LEU B 22 -5.483 -14.052 -2.110 1.00 0.00 C ATOM 1512 CD2 LEU B 22 -5.470 -16.500 -1.576 1.00 0.00 C ATOM 0 H LEU B 22 -5.119 -16.379 -5.690 1.00 0.00 H new ATOM 0 HA LEU B 22 -6.664 -17.833 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.555 -14.907 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.525 -15.573 -3.124 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.491 -15.567 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.654 -13.911 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.406 -13.326 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -6.426 -13.908 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.644 -16.327 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -6.414 -16.423 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.379 -17.496 -2.009 1.00 0.00 H new ATOM 1524 N LYS B 23 -7.408 -17.314 -6.553 1.00 0.00 N ATOM 1525 CA LYS B 23 -8.298 -17.620 -7.642 1.00 0.00 C ATOM 1526 C LYS B 23 -9.106 -16.409 -8.093 1.00 0.00 C ATOM 1527 O LYS B 23 -9.272 -15.438 -7.358 1.00 0.00 O ATOM 1528 CB LYS B 23 -9.166 -18.811 -7.287 1.00 0.00 C ATOM 1529 CG LYS B 23 -8.351 -20.074 -7.025 1.00 0.00 C ATOM 1530 CD LYS B 23 -9.213 -21.212 -6.515 1.00 0.00 C ATOM 1531 CE LYS B 23 -8.399 -22.483 -6.307 1.00 0.00 C ATOM 1532 NZ LYS B 23 -7.261 -22.275 -5.368 1.00 0.00 N ATOM 0 H LYS B 23 -6.439 -17.212 -6.856 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.695 -17.896 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -9.757 -18.574 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.869 -18.998 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -7.853 -20.381 -7.945 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.570 -19.857 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.681 -20.921 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.017 -21.406 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.048 -23.269 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -8.017 -22.829 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -7.059 -23.163 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -6.419 -21.980 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -7.510 -21.536 -4.679 1.00 0.00 H new ATOM 1546 N GLU B 24 -9.573 -16.488 -9.334 1.00 0.00 N ATOM 1547 CA GLU B 24 -10.078 -15.348 -10.067 1.00 0.00 C ATOM 1548 C GLU B 24 -11.223 -14.655 -9.369 1.00 0.00 C ATOM 1549 O GLU B 24 -12.197 -15.274 -8.940 1.00 0.00 O ATOM 1550 CB GLU B 24 -10.497 -15.772 -11.477 1.00 0.00 C ATOM 1551 CG GLU B 24 -9.468 -16.624 -12.210 1.00 0.00 C ATOM 1552 CD GLU B 24 -9.645 -18.112 -11.965 1.00 0.00 C ATOM 1553 OE1 GLU B 24 -9.252 -18.601 -10.886 1.00 0.00 O ATOM 1554 OE2 GLU B 24 -10.180 -18.802 -12.857 1.00 0.00 O ATOM 0 H GLU B 24 -9.609 -17.361 -9.861 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.264 -14.626 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -11.432 -16.328 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -10.698 -14.878 -12.068 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.537 -16.427 -13.280 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -8.468 -16.326 -11.895 1.00 0.00 H new ATOM 1561 N GLY B 25 -11.088 -13.340 -9.337 1.00 0.00 N ATOM 1562 CA GLY B 25 -11.932 -12.488 -8.552 1.00 0.00 C ATOM 1563 C GLY B 25 -12.000 -12.948 -7.124 1.00 0.00 C ATOM 1564 O GLY B 25 -13.060 -13.340 -6.626 1.00 0.00 O ATOM 0 H GLY B 25 -10.376 -12.838 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -11.555 -11.466 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -12.935 -12.473 -8.979 1.00 0.00 H new ATOM 1568 N GLU B 26 -10.865 -12.880 -6.467 1.00 0.00 N ATOM 1569 CA GLU B 26 -10.819 -13.031 -5.034 1.00 0.00 C ATOM 1570 C GLU B 26 -10.690 -11.667 -4.354 1.00 0.00 C ATOM 1571 O GLU B 26 -9.907 -10.817 -4.788 1.00 0.00 O ATOM 1572 CB GLU B 26 -9.671 -13.954 -4.643 1.00 0.00 C ATOM 1573 CG GLU B 26 -10.114 -15.040 -3.692 1.00 0.00 C ATOM 1574 CD GLU B 26 -10.942 -14.536 -2.524 1.00 0.00 C ATOM 1575 OE1 GLU B 26 -12.162 -14.314 -2.707 1.00 0.00 O ATOM 1576 OE2 GLU B 26 -10.388 -14.369 -1.418 1.00 0.00 O ATOM 0 H GLU B 26 -9.958 -12.720 -6.906 1.00 0.00 H new ATOM 0 HA GLU B 26 -11.751 -13.483 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -9.250 -14.408 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -8.877 -13.368 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -10.695 -15.778 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.233 -15.552 -3.306 1.00 0.00 H new ATOM 1583 N ARG B 27 -11.482 -11.464 -3.302 1.00 0.00 N ATOM 1584 CA ARG B 27 -11.512 -10.211 -2.575 1.00 0.00 C ATOM 1585 C ARG B 27 -10.312 -10.076 -1.654 1.00 0.00 C ATOM 1586 O ARG B 27 -10.135 -10.830 -0.691 1.00 0.00 O ATOM 1587 CB ARG B 27 -12.790 -10.113 -1.765 1.00 0.00 C ATOM 1588 CG ARG B 27 -12.937 -8.816 -1.001 1.00 0.00 C ATOM 1589 CD ARG B 27 -13.111 -7.637 -1.940 1.00 0.00 C ATOM 1590 NE ARG B 27 -14.406 -7.648 -2.627 1.00 0.00 N ATOM 1591 CZ ARG B 27 -15.247 -6.607 -2.655 1.00 0.00 C ATOM 1592 NH1 ARG B 27 -15.015 -5.535 -1.909 1.00 0.00 N ATOM 1593 NH2 ARG B 27 -16.348 -6.659 -3.388 1.00 0.00 N ATOM 0 H ARG B 27 -12.120 -12.170 -2.935 1.00 0.00 H new ATOM 0 HA ARG B 27 -11.476 -9.401 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -13.642 -10.226 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -12.826 -10.944 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -13.796 -8.881 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -12.058 -8.659 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -13.012 -6.710 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.311 -7.646 -2.681 1.00 0.00 H new ATOM 0 HE ARG B 27 -14.683 -8.501 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -14.191 -5.500 -1.309 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.660 -4.746 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -16.558 -7.494 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.986 -5.864 -3.407 1.00 0.00 H new ATOM 1607 N VAL B 28 -9.524 -9.077 -1.944 1.00 0.00 N ATOM 1608 CA VAL B 28 -8.282 -8.835 -1.231 1.00 0.00 C ATOM 1609 C VAL B 28 -8.194 -7.383 -0.781 1.00 0.00 C ATOM 1610 O VAL B 28 -8.841 -6.508 -1.364 1.00 0.00 O ATOM 1611 CB VAL B 28 -7.055 -9.171 -2.108 1.00 0.00 C ATOM 1612 CG1 VAL B 28 -7.013 -10.656 -2.433 1.00 0.00 C ATOM 1613 CG2 VAL B 28 -7.080 -8.349 -3.390 1.00 0.00 C ATOM 0 H VAL B 28 -9.718 -8.401 -2.683 1.00 0.00 H new ATOM 0 HA VAL B 28 -8.278 -9.487 -0.358 1.00 0.00 H new ATOM 0 HB VAL B 28 -6.155 -8.919 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.141 -10.869 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.951 -11.229 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.917 -10.936 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -6.210 -8.596 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.988 -8.574 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -7.060 -7.288 -3.142 1.00 0.00 H new ATOM 1623 N LYS B 29 -7.403 -7.127 0.255 1.00 0.00 N ATOM 1624 CA LYS B 29 -7.228 -5.784 0.760 1.00 0.00 C ATOM 1625 C LYS B 29 -5.837 -5.275 0.442 1.00 0.00 C ATOM 1626 O LYS B 29 -4.838 -5.972 0.640 1.00 0.00 O ATOM 1627 CB LYS B 29 -7.464 -5.748 2.256 1.00 0.00 C ATOM 1628 CG LYS B 29 -8.836 -6.246 2.671 1.00 0.00 C ATOM 1629 CD LYS B 29 -9.959 -5.539 1.941 1.00 0.00 C ATOM 1630 CE LYS B 29 -11.316 -6.038 2.415 1.00 0.00 C ATOM 1631 NZ LYS B 29 -11.527 -5.794 3.869 1.00 0.00 N ATOM 0 H LYS B 29 -6.874 -7.839 0.758 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.957 -5.137 0.273 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.703 -6.353 2.749 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.336 -4.725 2.610 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.902 -7.317 2.481 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.960 -6.105 3.745 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.885 -4.464 2.106 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.861 -5.704 0.868 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.103 -5.542 1.847 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.401 -7.105 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.537 -5.892 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.980 -6.486 4.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.211 -4.833 4.109 1.00 0.00 H new ATOM 1645 N ILE B 30 -5.792 -4.053 -0.028 1.00 0.00 N ATOM 1646 CA ILE B 30 -4.564 -3.441 -0.497 1.00 0.00 C ATOM 1647 C ILE B 30 -4.164 -2.308 0.427 1.00 0.00 C ATOM 1648 O ILE B 30 -5.016 -1.597 0.965 1.00 0.00 O ATOM 1649 CB ILE B 30 -4.716 -2.845 -1.914 1.00 0.00 C ATOM 1650 CG1 ILE B 30 -5.687 -3.662 -2.780 1.00 0.00 C ATOM 1651 CG2 ILE B 30 -3.359 -2.748 -2.597 1.00 0.00 C ATOM 1652 CD1 ILE B 30 -5.205 -5.057 -3.113 1.00 0.00 C ATOM 0 H ILE B 30 -6.610 -3.447 -0.098 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.810 -4.228 -0.514 1.00 0.00 H new ATOM 0 HB ILE B 30 -5.135 -1.845 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -6.643 -3.735 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -5.868 -3.122 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -3.483 -2.326 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -2.702 -2.106 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.919 -3.742 -2.676 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -5.951 -5.563 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -4.265 -4.996 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -5.052 -5.619 -2.191 1.00 0.00 H new ATOM 1664 N LYS B 31 -2.875 -2.163 0.619 1.00 0.00 N ATOM 1665 CA LYS B 31 -2.320 -1.045 1.340 1.00 0.00 C ATOM 1666 C LYS B 31 -1.058 -0.582 0.650 1.00 0.00 C ATOM 1667 O LYS B 31 -0.437 -1.325 -0.104 1.00 0.00 O ATOM 1668 CB LYS B 31 -2.021 -1.406 2.786 1.00 0.00 C ATOM 1669 CG LYS B 31 -2.303 -2.848 3.108 1.00 0.00 C ATOM 1670 CD LYS B 31 -2.121 -3.147 4.581 1.00 0.00 C ATOM 1671 CE LYS B 31 -2.584 -4.556 4.910 1.00 0.00 C ATOM 1672 NZ LYS B 31 -4.048 -4.736 4.687 1.00 0.00 N ATOM 0 H LYS B 31 -2.177 -2.823 0.276 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.056 -0.241 1.346 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.974 -1.191 2.998 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.616 -0.771 3.443 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -3.323 -3.093 2.812 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.640 -3.486 2.524 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -1.072 -3.032 4.852 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -2.684 -2.427 5.175 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -2.035 -5.270 4.296 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -2.346 -4.781 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.375 -5.582 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -4.558 -3.901 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -4.233 -4.851 3.670 1.00 0.00 H new ATOM 1686 N LEU B 32 -0.678 0.630 0.943 1.00 0.00 N ATOM 1687 CA LEU B 32 0.420 1.286 0.253 1.00 0.00 C ATOM 1688 C LEU B 32 1.694 1.216 1.080 1.00 0.00 C ATOM 1689 O LEU B 32 1.664 1.435 2.292 1.00 0.00 O ATOM 1690 CB LEU B 32 0.049 2.739 -0.025 1.00 0.00 C ATOM 1691 CG LEU B 32 -1.233 2.931 -0.837 1.00 0.00 C ATOM 1692 CD1 LEU B 32 -1.546 4.407 -1.014 1.00 0.00 C ATOM 1693 CD2 LEU B 32 -1.123 2.245 -2.193 1.00 0.00 C ATOM 0 H LEU B 32 -1.116 1.200 1.667 1.00 0.00 H new ATOM 0 HA LEU B 32 0.602 0.772 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.059 3.260 0.926 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.873 3.214 -0.557 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.052 2.471 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.462 4.518 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.678 4.871 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.723 4.893 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.046 2.395 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.288 2.671 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.956 1.178 -2.048 1.00 0.00 H new ATOM 1761 N VAL B 36 10.800 4.235 5.850 1.00 0.00 N ATOM 1762 CA VAL B 36 11.274 5.320 6.690 1.00 0.00 C ATOM 1763 C VAL B 36 12.668 5.733 6.240 1.00 0.00 C ATOM 1764 O VAL B 36 13.341 4.968 5.546 1.00 0.00 O ATOM 1765 CB VAL B 36 11.282 4.910 8.185 1.00 0.00 C ATOM 1766 CG1 VAL B 36 12.309 3.814 8.453 1.00 0.00 C ATOM 1767 CG2 VAL B 36 11.525 6.106 9.087 1.00 0.00 C ATOM 0 HA VAL B 36 10.595 6.166 6.587 1.00 0.00 H new ATOM 0 HB VAL B 36 10.294 4.511 8.417 1.00 0.00 H new ATOM 0 HG11 VAL B 36 12.290 3.548 9.510 1.00 0.00 H new ATOM 0 HG12 VAL B 36 12.069 2.936 7.854 1.00 0.00 H new ATOM 0 HG13 VAL B 36 13.303 4.174 8.187 1.00 0.00 H new ATOM 0 HG21 VAL B 36 11.524 5.783 10.128 1.00 0.00 H new ATOM 0 HG22 VAL B 36 12.490 6.553 8.846 1.00 0.00 H new ATOM 0 HG23 VAL B 36 10.736 6.842 8.935 1.00 0.00 H new ATOM 1777 N GLU B 37 13.082 6.939 6.618 1.00 0.00 N ATOM 1778 CA GLU B 37 14.375 7.474 6.238 1.00 0.00 C ATOM 1779 C GLU B 37 15.506 6.487 6.539 1.00 0.00 C ATOM 1780 O GLU B 37 15.810 6.200 7.702 1.00 0.00 O ATOM 1781 CB GLU B 37 14.613 8.793 6.970 1.00 0.00 C ATOM 1782 CG GLU B 37 14.457 8.696 8.478 1.00 0.00 C ATOM 1783 CD GLU B 37 14.968 9.926 9.197 1.00 0.00 C ATOM 1784 OE1 GLU B 37 16.182 9.984 9.489 1.00 0.00 O ATOM 1785 OE2 GLU B 37 14.163 10.842 9.470 1.00 0.00 O ATOM 0 H GLU B 37 12.526 7.569 7.197 1.00 0.00 H new ATOM 0 HA GLU B 37 14.372 7.646 5.162 1.00 0.00 H new ATOM 0 HB2 GLU B 37 15.617 9.149 6.740 1.00 0.00 H new ATOM 0 HB3 GLU B 37 13.916 9.540 6.590 1.00 0.00 H new ATOM 0 HG2 GLU B 37 13.405 8.548 8.722 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.994 7.819 8.839 1.00 0.00 H new ATOM 1792 N PRO B 38 16.127 5.928 5.493 1.00 0.00 N ATOM 1793 CA PRO B 38 17.223 4.996 5.651 1.00 0.00 C ATOM 1794 C PRO B 38 18.568 5.706 5.697 1.00 0.00 C ATOM 1795 O PRO B 38 18.665 6.917 5.461 1.00 0.00 O ATOM 1796 CB PRO B 38 17.107 4.143 4.392 1.00 0.00 C ATOM 1797 CG PRO B 38 16.591 5.078 3.348 1.00 0.00 C ATOM 1798 CD PRO B 38 15.805 6.149 4.071 1.00 0.00 C ATOM 0 HA PRO B 38 17.171 4.429 6.581 1.00 0.00 H new ATOM 0 HB2 PRO B 38 18.072 3.724 4.107 1.00 0.00 H new ATOM 0 HB3 PRO B 38 16.428 3.304 4.543 1.00 0.00 H new ATOM 0 HG2 PRO B 38 17.413 5.517 2.782 1.00 0.00 H new ATOM 0 HG3 PRO B 38 15.959 4.550 2.634 1.00 0.00 H new ATOM 0 HD2 PRO B 38 16.098 7.147 3.746 1.00 0.00 H new ATOM 0 HD3 PRO B 38 14.735 6.054 3.884 1.00 0.00 H new ATOM 1806 N ILE B 39 19.599 4.945 5.984 1.00 0.00 N ATOM 1807 CA ILE B 39 20.945 5.445 6.040 1.00 0.00 C ATOM 1808 C ILE B 39 21.882 4.468 5.364 1.00 0.00 C ATOM 1809 O ILE B 39 21.625 3.263 5.349 1.00 0.00 O ATOM 1810 CB ILE B 39 21.401 5.638 7.497 1.00 0.00 C ATOM 1811 CG1 ILE B 39 21.082 4.396 8.332 1.00 0.00 C ATOM 1812 CG2 ILE B 39 20.761 6.874 8.108 1.00 0.00 C ATOM 1813 CD1 ILE B 39 21.606 4.459 9.751 1.00 0.00 C ATOM 0 H ILE B 39 19.521 3.949 6.187 1.00 0.00 H new ATOM 0 HA ILE B 39 20.968 6.407 5.529 1.00 0.00 H new ATOM 0 HB ILE B 39 22.481 5.783 7.496 1.00 0.00 H new ATOM 0 HG12 ILE B 39 20.001 4.257 8.360 1.00 0.00 H new ATOM 0 HG13 ILE B 39 21.503 3.520 7.838 1.00 0.00 H new ATOM 0 HG21 ILE B 39 21.100 6.988 9.138 1.00 0.00 H new ATOM 0 HG22 ILE B 39 21.047 7.754 7.533 1.00 0.00 H new ATOM 0 HG23 ILE B 39 19.676 6.768 8.092 1.00 0.00 H new ATOM 0 HD11 ILE B 39 21.340 3.543 10.278 1.00 0.00 H new ATOM 0 HD12 ILE B 39 22.691 4.566 9.734 1.00 0.00 H new ATOM 0 HD13 ILE B 39 21.165 5.314 10.264 1.00 0.00 H new ATOM 1825 N ASP B 40 22.951 4.978 4.795 1.00 0.00 N ATOM 1826 CA ASP B 40 23.982 4.114 4.265 1.00 0.00 C ATOM 1827 C ASP B 40 25.011 3.874 5.350 1.00 0.00 C ATOM 1828 O ASP B 40 25.317 4.780 6.128 1.00 0.00 O ATOM 1829 CB ASP B 40 24.642 4.718 3.027 1.00 0.00 C ATOM 1830 CG ASP B 40 25.453 3.689 2.257 1.00 0.00 C ATOM 1831 OD1 ASP B 40 26.626 3.456 2.617 1.00 0.00 O ATOM 1832 OD2 ASP B 40 24.914 3.101 1.294 1.00 0.00 O ATOM 0 H ASP B 40 23.129 5.977 4.688 1.00 0.00 H new ATOM 0 HA ASP B 40 23.532 3.170 3.957 1.00 0.00 H new ATOM 0 HB2 ASP B 40 23.876 5.137 2.375 1.00 0.00 H new ATOM 0 HB3 ASP B 40 25.291 5.541 3.327 1.00 0.00 H new ATOM 1837 N LEU B 41 25.515 2.653 5.422 1.00 0.00 N ATOM 1838 CA LEU B 41 26.443 2.275 6.476 1.00 0.00 C ATOM 1839 C LEU B 41 27.709 3.123 6.412 1.00 0.00 C ATOM 1840 O LEU B 41 28.449 3.080 5.430 1.00 0.00 O ATOM 1841 CB LEU B 41 26.796 0.784 6.390 1.00 0.00 C ATOM 1842 CG LEU B 41 25.636 -0.197 6.618 1.00 0.00 C ATOM 1843 CD1 LEU B 41 24.816 0.207 7.837 1.00 0.00 C ATOM 1844 CD2 LEU B 41 24.753 -0.302 5.381 1.00 0.00 C ATOM 0 H LEU B 41 25.297 1.906 4.763 1.00 0.00 H new ATOM 0 HA LEU B 41 25.952 2.456 7.432 1.00 0.00 H new ATOM 0 HB2 LEU B 41 27.223 0.588 5.406 1.00 0.00 H new ATOM 0 HB3 LEU B 41 27.574 0.572 7.123 1.00 0.00 H new ATOM 0 HG LEU B 41 26.064 -1.182 6.807 1.00 0.00 H new ATOM 0 HD11 LEU B 41 24.001 -0.502 7.978 1.00 0.00 H new ATOM 0 HD12 LEU B 41 25.454 0.207 8.721 1.00 0.00 H new ATOM 0 HD13 LEU B 41 24.406 1.206 7.685 1.00 0.00 H new ATOM 0 HD21 LEU B 41 23.941 -1.003 5.572 1.00 0.00 H new ATOM 0 HD22 LEU B 41 24.338 0.678 5.146 1.00 0.00 H new ATOM 0 HD23 LEU B 41 25.347 -0.656 4.539 1.00 0.00 H new ATOM 1856 N GLY B 42 27.947 3.898 7.457 1.00 0.00 N ATOM 1857 CA GLY B 42 29.087 4.770 7.478 1.00 0.00 C ATOM 1858 C GLY B 42 30.270 4.112 8.121 1.00 0.00 C ATOM 1859 O GLY B 42 30.259 3.791 9.311 1.00 0.00 O ATOM 0 H GLY B 42 27.364 3.934 8.293 1.00 0.00 H new ATOM 0 HA2 GLY B 42 29.341 5.063 6.459 1.00 0.00 H new ATOM 0 HA3 GLY B 42 28.838 5.683 8.019 1.00 0.00 H new ATOM 1863 N GLU B 43 31.272 3.889 7.316 1.00 0.00 N ATOM 1864 CA GLU B 43 32.518 3.312 7.767 1.00 0.00 C ATOM 1865 C GLU B 43 33.340 4.350 8.527 1.00 0.00 C ATOM 1866 O GLU B 43 33.253 5.546 8.246 1.00 0.00 O ATOM 1867 CB GLU B 43 33.318 2.756 6.583 1.00 0.00 C ATOM 1868 CG GLU B 43 33.510 3.732 5.427 1.00 0.00 C ATOM 1869 CD GLU B 43 32.328 3.760 4.477 1.00 0.00 C ATOM 1870 OE1 GLU B 43 31.350 4.484 4.751 1.00 0.00 O ATOM 1871 OE2 GLU B 43 32.368 3.043 3.456 1.00 0.00 O ATOM 0 H GLU B 43 31.251 4.103 6.319 1.00 0.00 H new ATOM 0 HA GLU B 43 32.290 2.487 8.442 1.00 0.00 H new ATOM 0 HB2 GLU B 43 34.298 2.441 6.941 1.00 0.00 H new ATOM 0 HB3 GLU B 43 32.814 1.865 6.208 1.00 0.00 H new ATOM 0 HG2 GLU B 43 33.673 4.733 5.826 1.00 0.00 H new ATOM 0 HG3 GLU B 43 34.409 3.460 4.873 1.00 0.00 H new ATOM 1878 N PRO B 44 34.121 3.907 9.524 1.00 0.00 N ATOM 1879 CA PRO B 44 34.978 4.802 10.303 1.00 0.00 C ATOM 1880 C PRO B 44 36.033 5.478 9.432 1.00 0.00 C ATOM 1881 O PRO B 44 36.736 4.818 8.664 1.00 0.00 O ATOM 1882 CB PRO B 44 35.647 3.873 11.326 1.00 0.00 C ATOM 1883 CG PRO B 44 34.798 2.648 11.358 1.00 0.00 C ATOM 1884 CD PRO B 44 34.226 2.510 9.979 1.00 0.00 C ATOM 0 HA PRO B 44 34.411 5.612 10.760 1.00 0.00 H new ATOM 0 HB2 PRO B 44 36.669 3.636 11.032 1.00 0.00 H new ATOM 0 HB3 PRO B 44 35.698 4.342 12.309 1.00 0.00 H new ATOM 0 HG2 PRO B 44 35.387 1.771 11.626 1.00 0.00 H new ATOM 0 HG3 PRO B 44 34.007 2.740 12.102 1.00 0.00 H new ATOM 0 HD2 PRO B 44 34.874 1.922 9.330 1.00 0.00 H new ATOM 0 HD3 PRO B 44 33.255 2.016 9.992 1.00 0.00 H new ATOM 1892 N VAL B 45 36.138 6.792 9.550 1.00 0.00 N ATOM 1893 CA VAL B 45 37.120 7.544 8.785 1.00 0.00 C ATOM 1894 C VAL B 45 38.490 7.385 9.426 1.00 0.00 C ATOM 1895 O VAL B 45 38.598 7.189 10.636 1.00 0.00 O ATOM 1896 CB VAL B 45 36.767 9.045 8.704 1.00 0.00 C ATOM 1897 CG1 VAL B 45 37.571 9.730 7.609 1.00 0.00 C ATOM 1898 CG2 VAL B 45 35.274 9.246 8.481 1.00 0.00 C ATOM 0 H VAL B 45 35.557 7.359 10.167 1.00 0.00 H new ATOM 0 HA VAL B 45 37.123 7.147 7.770 1.00 0.00 H new ATOM 0 HB VAL B 45 37.029 9.502 9.658 1.00 0.00 H new ATOM 0 HG11 VAL B 45 37.306 10.787 7.570 1.00 0.00 H new ATOM 0 HG12 VAL B 45 38.635 9.630 7.823 1.00 0.00 H new ATOM 0 HG13 VAL B 45 37.348 9.264 6.649 1.00 0.00 H new ATOM 0 HG21 VAL B 45 35.054 10.312 8.428 1.00 0.00 H new ATOM 0 HG22 VAL B 45 34.978 8.768 7.547 1.00 0.00 H new ATOM 0 HG23 VAL B 45 34.720 8.802 9.308 1.00 0.00 H new ATOM 1908 N SER B 46 39.526 7.454 8.615 1.00 0.00 N ATOM 1909 CA SER B 46 40.875 7.270 9.094 1.00 0.00 C ATOM 1910 C SER B 46 41.577 8.610 9.266 1.00 0.00 C ATOM 1911 O SER B 46 41.081 9.647 8.824 1.00 0.00 O ATOM 1912 CB SER B 46 41.655 6.413 8.108 1.00 0.00 C ATOM 1913 OG SER B 46 40.959 5.215 7.803 1.00 0.00 O ATOM 0 H SER B 46 39.455 7.638 7.614 1.00 0.00 H new ATOM 0 HA SER B 46 40.831 6.773 10.063 1.00 0.00 H new ATOM 0 HB2 SER B 46 41.831 6.977 7.192 1.00 0.00 H new ATOM 0 HB3 SER B 46 42.632 6.172 8.526 1.00 0.00 H new ATOM 0 HG SER B 46 41.483 4.685 7.166 1.00 0.00 H new ATOM 1919 N VAL B 47 42.739 8.580 9.896 1.00 0.00 N ATOM 1920 CA VAL B 47 43.544 9.777 10.054 1.00 0.00 C ATOM 1921 C VAL B 47 44.654 9.783 9.004 1.00 0.00 C ATOM 1922 O VAL B 47 45.297 8.762 8.755 1.00 0.00 O ATOM 1923 CB VAL B 47 44.144 9.891 11.479 1.00 0.00 C ATOM 1924 CG1 VAL B 47 45.006 8.681 11.812 1.00 0.00 C ATOM 1925 CG2 VAL B 47 44.943 11.182 11.634 1.00 0.00 C ATOM 0 H VAL B 47 43.145 7.739 10.306 1.00 0.00 H new ATOM 0 HA VAL B 47 42.897 10.643 9.911 1.00 0.00 H new ATOM 0 HB VAL B 47 43.315 9.917 12.186 1.00 0.00 H new ATOM 0 HG11 VAL B 47 45.413 8.790 12.817 1.00 0.00 H new ATOM 0 HG12 VAL B 47 44.399 7.777 11.762 1.00 0.00 H new ATOM 0 HG13 VAL B 47 45.824 8.609 11.095 1.00 0.00 H new ATOM 0 HG21 VAL B 47 45.353 11.237 12.642 1.00 0.00 H new ATOM 0 HG22 VAL B 47 45.758 11.195 10.910 1.00 0.00 H new ATOM 0 HG23 VAL B 47 44.290 12.037 11.461 1.00 0.00 H new ATOM 1935 N GLU B 48 44.859 10.926 8.375 1.00 0.00 N ATOM 1936 CA GLU B 48 45.816 11.041 7.285 1.00 0.00 C ATOM 1937 C GLU B 48 47.139 11.615 7.781 1.00 0.00 C ATOM 1938 O GLU B 48 47.169 12.400 8.728 1.00 0.00 O ATOM 1939 CB GLU B 48 45.235 11.931 6.184 1.00 0.00 C ATOM 1940 CG GLU B 48 43.931 11.406 5.601 1.00 0.00 C ATOM 1941 CD GLU B 48 43.284 12.377 4.633 1.00 0.00 C ATOM 1942 OE1 GLU B 48 43.848 12.596 3.537 1.00 0.00 O ATOM 1943 OE2 GLU B 48 42.215 12.935 4.966 1.00 0.00 O ATOM 0 H GLU B 48 44.373 11.794 8.601 1.00 0.00 H new ATOM 0 HA GLU B 48 46.008 10.046 6.883 1.00 0.00 H new ATOM 0 HB2 GLU B 48 45.067 12.930 6.587 1.00 0.00 H new ATOM 0 HB3 GLU B 48 45.968 12.029 5.383 1.00 0.00 H new ATOM 0 HG2 GLU B 48 44.122 10.463 5.089 1.00 0.00 H new ATOM 0 HG3 GLU B 48 43.236 11.193 6.413 1.00 0.00 H new ATOM 1950 N GLU B 49 48.223 11.214 7.140 1.00 0.00 N ATOM 1951 CA GLU B 49 49.537 11.758 7.448 1.00 0.00 C ATOM 1952 C GLU B 49 49.685 13.123 6.785 1.00 0.00 C ATOM 1953 O GLU B 49 50.391 14.007 7.274 1.00 0.00 O ATOM 1954 CB GLU B 49 50.654 10.810 6.981 1.00 0.00 C ATOM 1955 CG GLU B 49 50.751 10.634 5.469 1.00 0.00 C ATOM 1956 CD GLU B 49 49.631 9.795 4.881 1.00 0.00 C ATOM 1957 OE1 GLU B 49 48.527 10.337 4.645 1.00 0.00 O ATOM 1958 OE2 GLU B 49 49.856 8.588 4.642 1.00 0.00 O ATOM 0 H GLU B 49 48.220 10.511 6.401 1.00 0.00 H new ATOM 0 HA GLU B 49 49.627 11.866 8.529 1.00 0.00 H new ATOM 0 HB2 GLU B 49 51.608 11.185 7.351 1.00 0.00 H new ATOM 0 HB3 GLU B 49 50.497 9.833 7.437 1.00 0.00 H new ATOM 0 HG2 GLU B 49 50.744 11.616 4.996 1.00 0.00 H new ATOM 0 HG3 GLU B 49 51.707 10.170 5.226 1.00 0.00 H new ATOM 1965 N ILE B 50 48.981 13.277 5.675 1.00 0.00 N ATOM 1966 CA ILE B 50 48.957 14.525 4.920 1.00 0.00 C ATOM 1967 C ILE B 50 47.814 15.416 5.393 1.00 0.00 C ATOM 1968 O ILE B 50 47.446 16.392 4.736 1.00 0.00 O ATOM 1969 CB ILE B 50 48.789 14.259 3.414 1.00 0.00 C ATOM 1970 CG1 ILE B 50 47.539 13.404 3.160 1.00 0.00 C ATOM 1971 CG2 ILE B 50 50.038 13.588 2.847 1.00 0.00 C ATOM 1972 CD1 ILE B 50 47.252 13.171 1.694 1.00 0.00 C ATOM 0 H ILE B 50 48.407 12.538 5.269 1.00 0.00 H new ATOM 0 HA ILE B 50 49.909 15.027 5.091 1.00 0.00 H new ATOM 0 HB ILE B 50 48.658 15.212 2.902 1.00 0.00 H new ATOM 0 HG12 ILE B 50 47.661 12.441 3.655 1.00 0.00 H new ATOM 0 HG13 ILE B 50 46.677 13.890 3.617 1.00 0.00 H new ATOM 0 HG21 ILE B 50 49.902 13.407 1.781 1.00 0.00 H new ATOM 0 HG22 ILE B 50 50.900 14.238 2.998 1.00 0.00 H new ATOM 0 HG23 ILE B 50 50.205 12.639 3.357 1.00 0.00 H new ATOM 0 HD11 ILE B 50 46.355 12.560 1.591 1.00 0.00 H new ATOM 0 HD12 ILE B 50 47.097 14.129 1.197 1.00 0.00 H new ATOM 0 HD13 ILE B 50 48.096 12.656 1.235 1.00 0.00 H new ATOM 2090 N THR B 57 51.681 11.552 12.153 1.00 0.00 N ATOM 2091 CA THR B 57 52.960 10.870 12.075 1.00 0.00 C ATOM 2092 C THR B 57 53.264 10.209 13.417 1.00 0.00 C ATOM 2093 O THR B 57 52.501 10.369 14.374 1.00 0.00 O ATOM 2094 CB THR B 57 54.096 11.853 11.688 1.00 0.00 C ATOM 2095 OG1 THR B 57 55.313 11.142 11.411 1.00 0.00 O ATOM 2096 CG2 THR B 57 54.343 12.872 12.794 1.00 0.00 C ATOM 0 HA THR B 57 52.903 10.108 11.298 1.00 0.00 H new ATOM 0 HB THR B 57 53.778 12.381 10.789 1.00 0.00 H new ATOM 0 HG1 THR B 57 56.016 11.780 11.167 1.00 0.00 H new ATOM 0 HG21 THR B 57 55.144 13.547 12.494 1.00 0.00 H new ATOM 0 HG22 THR B 57 53.433 13.445 12.971 1.00 0.00 H new ATOM 0 HG23 THR B 57 54.629 12.354 13.709 1.00 0.00 H new ATOM 2104 N TRP B 58 54.361 9.469 13.486 1.00 0.00 N ATOM 2105 CA TRP B 58 54.764 8.827 14.727 1.00 0.00 C ATOM 2106 C TRP B 58 55.782 9.713 15.434 1.00 0.00 C ATOM 2107 O TRP B 58 56.713 10.225 14.809 1.00 0.00 O ATOM 2108 CB TRP B 58 55.348 7.439 14.449 1.00 0.00 C ATOM 2109 CG TRP B 58 55.407 6.557 15.659 1.00 0.00 C ATOM 2110 CD1 TRP B 58 54.349 6.110 16.395 1.00 0.00 C ATOM 2111 CD2 TRP B 58 56.578 6.006 16.263 1.00 0.00 C ATOM 2112 NE1 TRP B 58 54.793 5.317 17.425 1.00 0.00 N ATOM 2113 CE2 TRP B 58 56.156 5.235 17.364 1.00 0.00 C ATOM 2114 CE3 TRP B 58 57.941 6.086 15.983 1.00 0.00 C ATOM 2115 CZ2 TRP B 58 57.050 4.555 18.182 1.00 0.00 C ATOM 2116 CZ3 TRP B 58 58.829 5.407 16.796 1.00 0.00 C ATOM 2117 CH2 TRP B 58 58.378 4.650 17.884 1.00 0.00 C ATOM 0 H TRP B 58 54.986 9.299 12.698 1.00 0.00 H new ATOM 0 HA TRP B 58 53.894 8.696 15.370 1.00 0.00 H new ATOM 0 HB2 TRP B 58 54.748 6.949 13.682 1.00 0.00 H new ATOM 0 HB3 TRP B 58 56.353 7.552 14.043 1.00 0.00 H new ATOM 0 HD1 TRP B 58 53.314 6.345 16.197 1.00 0.00 H new ATOM 0 HE1 TRP B 58 54.202 4.863 18.122 1.00 0.00 H new ATOM 0 HE3 TRP B 58 58.297 6.668 15.146 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 56.706 3.972 19.024 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 59.888 5.461 16.589 1.00 0.00 H new ATOM 0 HH2 TRP B 58 59.097 4.130 18.500 1.00 0.00 H new ATOM 2128 N MET B 59 55.597 9.897 16.729 1.00 0.00 N ATOM 2129 CA MET B 59 56.415 10.833 17.490 1.00 0.00 C ATOM 2130 C MET B 59 57.450 10.097 18.339 1.00 0.00 C ATOM 2131 O MET B 59 57.191 8.993 18.817 1.00 0.00 O ATOM 2132 CB MET B 59 55.522 11.699 18.386 1.00 0.00 C ATOM 2133 CG MET B 59 56.240 12.897 18.992 1.00 0.00 C ATOM 2134 SD MET B 59 55.175 13.887 20.058 1.00 0.00 S ATOM 2135 CE MET B 59 56.298 15.205 20.518 1.00 0.00 C ATOM 0 H MET B 59 54.888 9.412 17.279 1.00 0.00 H new ATOM 0 HA MET B 59 56.947 11.471 16.785 1.00 0.00 H new ATOM 0 HB2 MET B 59 54.672 12.053 17.803 1.00 0.00 H new ATOM 0 HB3 MET B 59 55.122 11.082 19.190 1.00 0.00 H new ATOM 0 HG2 MET B 59 57.098 12.548 19.567 1.00 0.00 H new ATOM 0 HG3 MET B 59 56.628 13.525 18.190 1.00 0.00 H new ATOM 0 HE1 MET B 59 55.787 15.904 21.180 1.00 0.00 H new ATOM 0 HE2 MET B 59 57.162 14.784 21.032 1.00 0.00 H new ATOM 0 HE3 MET B 59 56.629 15.730 19.622 1.00 0.00 H new ATOM 2145 N SER B 60 58.610 10.733 18.506 1.00 0.00 N ATOM 2146 CA SER B 60 59.720 10.207 19.299 1.00 0.00 C ATOM 2147 C SER B 60 60.450 9.099 18.549 1.00 0.00 C ATOM 2148 O SER B 60 59.840 8.153 18.056 1.00 0.00 O ATOM 2149 CB SER B 60 59.256 9.717 20.675 1.00 0.00 C ATOM 2150 OG SER B 60 60.357 9.334 21.483 1.00 0.00 O ATOM 0 H SER B 60 58.807 11.642 18.087 1.00 0.00 H new ATOM 0 HA SER B 60 60.417 11.029 19.462 1.00 0.00 H new ATOM 0 HB2 SER B 60 58.693 10.506 21.174 1.00 0.00 H new ATOM 0 HB3 SER B 60 58.580 8.871 20.553 1.00 0.00 H new ATOM 0 HG SER B 60 60.032 9.027 22.355 1.00 0.00 H new ATOM 2156 N SER B 61 61.762 9.233 18.460 1.00 0.00 N ATOM 2157 CA SER B 61 62.579 8.265 17.744 1.00 0.00 C ATOM 2158 C SER B 61 63.196 7.253 18.703 1.00 0.00 C ATOM 2159 O SER B 61 63.919 6.355 18.276 1.00 0.00 O ATOM 2160 CB SER B 61 63.677 8.984 16.961 1.00 0.00 C ATOM 2161 OG SER B 61 63.131 10.023 16.167 1.00 0.00 O ATOM 0 H SER B 61 62.286 10.003 18.875 1.00 0.00 H new ATOM 0 HA SER B 61 61.937 7.725 17.048 1.00 0.00 H new ATOM 0 HB2 SER B 61 64.412 9.396 17.652 1.00 0.00 H new ATOM 0 HB3 SER B 61 64.202 8.272 16.325 1.00 0.00 H new ATOM 0 HG SER B 61 63.850 10.472 15.675 1.00 0.00 H new ATOM 2167 N LEU B 62 62.871 7.394 19.991 1.00 0.00 N ATOM 2168 CA LEU B 62 63.436 6.579 21.051 1.00 0.00 C ATOM 2169 C LEU B 62 64.965 6.600 21.017 1.00 0.00 C ATOM 2170 O LEU B 62 65.609 5.711 20.457 1.00 0.00 O ATOM 2171 CB LEU B 62 62.916 5.149 20.977 1.00 0.00 C ATOM 2172 CG LEU B 62 62.962 4.418 22.308 1.00 0.00 C ATOM 2173 CD1 LEU B 62 61.746 4.763 23.155 1.00 0.00 C ATOM 2174 CD2 LEU B 62 63.083 2.918 22.102 1.00 0.00 C ATOM 0 H LEU B 62 62.200 8.087 20.323 1.00 0.00 H new ATOM 0 HA LEU B 62 63.117 7.010 22.000 1.00 0.00 H new ATOM 0 HB2 LEU B 62 61.888 5.163 20.614 1.00 0.00 H new ATOM 0 HB3 LEU B 62 63.504 4.594 20.246 1.00 0.00 H new ATOM 0 HG LEU B 62 63.850 4.749 22.847 1.00 0.00 H new ATOM 0 HD11 LEU B 62 61.800 4.228 24.103 1.00 0.00 H new ATOM 0 HD12 LEU B 62 61.727 5.836 23.344 1.00 0.00 H new ATOM 0 HD13 LEU B 62 60.839 4.472 22.625 1.00 0.00 H new ATOM 0 HD21 LEU B 62 63.114 2.419 23.071 1.00 0.00 H new ATOM 0 HD22 LEU B 62 62.224 2.558 21.536 1.00 0.00 H new ATOM 0 HD23 LEU B 62 63.998 2.699 21.552 1.00 0.00 H new ATOM 2186 N GLU B 63 65.529 7.630 21.624 1.00 0.00 N ATOM 2187 CA GLU B 63 66.972 7.842 21.613 1.00 0.00 C ATOM 2188 C GLU B 63 67.608 7.177 22.835 1.00 0.00 C ATOM 2189 O GLU B 63 66.937 6.913 23.833 1.00 0.00 O ATOM 2190 CB GLU B 63 67.260 9.352 21.595 1.00 0.00 C ATOM 2191 CG GLU B 63 68.484 9.765 20.781 1.00 0.00 C ATOM 2192 CD GLU B 63 69.796 9.438 21.464 1.00 0.00 C ATOM 2193 OE1 GLU B 63 70.183 10.171 22.395 1.00 0.00 O ATOM 2194 OE2 GLU B 63 70.446 8.444 21.070 1.00 0.00 O ATOM 0 H GLU B 63 65.006 8.341 22.136 1.00 0.00 H new ATOM 0 HA GLU B 63 67.406 7.390 20.721 1.00 0.00 H new ATOM 0 HB2 GLU B 63 66.386 9.869 21.197 1.00 0.00 H new ATOM 0 HB3 GLU B 63 67.393 9.694 22.622 1.00 0.00 H new ATOM 0 HG2 GLU B 63 68.453 9.266 19.812 1.00 0.00 H new ATOM 0 HG3 GLU B 63 68.439 10.837 20.589 1.00 0.00 H new ATOM 2201 N HIS B 64 68.906 6.924 22.753 1.00 0.00 N ATOM 2202 CA HIS B 64 69.655 6.291 23.835 1.00 0.00 C ATOM 2203 C HIS B 64 70.114 7.364 24.831 1.00 0.00 C ATOM 2204 O HIS B 64 71.193 7.278 25.420 1.00 0.00 O ATOM 2205 CB HIS B 64 70.857 5.537 23.234 1.00 0.00 C ATOM 2206 CG HIS B 64 71.569 4.593 24.169 1.00 0.00 C ATOM 2207 ND1 HIS B 64 72.558 4.806 25.070 1.00 0.00 N flip ATOM 2208 CD2 HIS B 64 71.307 3.240 24.213 1.00 0.00 C flip ATOM 2209 CE1 HIS B 64 72.873 3.596 25.633 1.00 0.00 C flip ATOM 2210 NE2 HIS B 64 72.102 2.668 25.100 1.00 0.00 N flip ATOM 0 H HIS B 64 69.472 7.151 21.935 1.00 0.00 H new ATOM 0 HA HIS B 64 69.027 5.578 24.369 1.00 0.00 H new ATOM 0 HB2 HIS B 64 70.512 4.971 22.369 1.00 0.00 H new ATOM 0 HB3 HIS B 64 71.577 6.270 22.869 1.00 0.00 H new ATOM 0 HD2 HIS B 64 70.567 2.728 23.616 1.00 0.00 H new ATOM 0 HE1 HIS B 64 73.627 3.430 26.388 1.00 0.00 H new ATOM 0 HE2 HIS B 64 72.117 1.675 25.333 1.00 0.00 H new ATOM 2219 N HIS B 65 69.279 8.379 25.019 1.00 0.00 N ATOM 2220 CA HIS B 65 69.602 9.477 25.920 1.00 0.00 C ATOM 2221 C HIS B 65 69.361 9.067 27.367 1.00 0.00 C ATOM 2222 O HIS B 65 68.393 9.496 28.004 1.00 0.00 O ATOM 2223 CB HIS B 65 68.781 10.724 25.579 1.00 0.00 C ATOM 2224 CG HIS B 65 69.256 11.966 26.280 1.00 0.00 C ATOM 2225 ND1 HIS B 65 68.606 12.524 27.362 1.00 0.00 N ATOM 2226 CD2 HIS B 65 70.333 12.755 26.049 1.00 0.00 C ATOM 2227 CE1 HIS B 65 69.264 13.597 27.761 1.00 0.00 C ATOM 2228 NE2 HIS B 65 70.314 13.760 26.983 1.00 0.00 N ATOM 0 H HIS B 65 68.373 8.464 24.559 1.00 0.00 H new ATOM 0 HA HIS B 65 70.658 9.718 25.795 1.00 0.00 H new ATOM 0 HB2 HIS B 65 68.816 10.889 24.502 1.00 0.00 H new ATOM 0 HB3 HIS B 65 67.738 10.545 25.841 1.00 0.00 H new ATOM 0 HD2 HIS B 65 71.071 12.618 25.272 1.00 0.00 H new ATOM 0 HE1 HIS B 65 68.987 14.235 28.588 1.00 0.00 H new ATOM 0 HE2 HIS B 65 71.001 14.510 27.062 1.00 0.00 H new ATOM 2237 N HIS B 66 70.237 8.213 27.867 1.00 0.00 N ATOM 2238 CA HIS B 66 70.134 7.724 29.229 1.00 0.00 C ATOM 2239 C HIS B 66 70.632 8.772 30.214 1.00 0.00 C ATOM 2240 O HIS B 66 71.760 9.252 30.109 1.00 0.00 O ATOM 2241 CB HIS B 66 70.908 6.402 29.402 1.00 0.00 C ATOM 2242 CG HIS B 66 72.392 6.492 29.165 1.00 0.00 C ATOM 2243 ND1 HIS B 66 73.101 6.845 28.066 1.00 0.00 N flip ATOM 2244 CD2 HIS B 66 73.325 6.176 30.130 1.00 0.00 C flip ATOM 2245 CE1 HIS B 66 74.430 6.736 28.385 1.00 0.00 C flip ATOM 2246 NE2 HIS B 66 74.538 6.332 29.635 1.00 0.00 N flip ATOM 0 H HIS B 66 71.032 7.843 27.346 1.00 0.00 H new ATOM 0 HA HIS B 66 69.083 7.528 29.439 1.00 0.00 H new ATOM 0 HB2 HIS B 66 70.740 6.031 30.413 1.00 0.00 H new ATOM 0 HB3 HIS B 66 70.491 5.663 28.717 1.00 0.00 H new ATOM 0 HD2 HIS B 66 73.098 5.851 31.135 1.00 0.00 H new ATOM 0 HE1 HIS B 66 75.254 6.947 27.720 1.00 0.00 H new ATOM 0 HE2 HIS B 66 75.412 6.168 30.135 1.00 0.00 H new ATOM 2255 N HIS B 67 69.778 9.141 31.153 1.00 0.00 N ATOM 2256 CA HIS B 67 70.159 10.089 32.187 1.00 0.00 C ATOM 2257 C HIS B 67 70.482 9.345 33.477 1.00 0.00 C ATOM 2258 O HIS B 67 69.688 8.533 33.958 1.00 0.00 O ATOM 2259 CB HIS B 67 69.075 11.162 32.406 1.00 0.00 C ATOM 2260 CG HIS B 67 67.669 10.645 32.520 1.00 0.00 C ATOM 2261 ND1 HIS B 67 66.736 10.785 31.511 1.00 0.00 N ATOM 2262 CD2 HIS B 67 67.030 10.005 33.529 1.00 0.00 C ATOM 2263 CE1 HIS B 67 65.591 10.255 31.895 1.00 0.00 C ATOM 2264 NE2 HIS B 67 65.742 9.777 33.113 1.00 0.00 N ATOM 0 H HIS B 67 68.819 8.800 31.221 1.00 0.00 H new ATOM 0 HA HIS B 67 71.054 10.616 31.858 1.00 0.00 H new ATOM 0 HB2 HIS B 67 69.315 11.716 33.313 1.00 0.00 H new ATOM 0 HB3 HIS B 67 69.117 11.871 31.579 1.00 0.00 H new ATOM 0 HD2 HIS B 67 67.455 9.726 34.482 1.00 0.00 H new ATOM 0 HE1 HIS B 67 64.684 10.219 31.310 1.00 0.00 H new ATOM 0 HE2 HIS B 67 65.017 9.312 33.660 1.00 0.00 H new ATOM 2273 N HIS B 68 71.660 9.608 34.013 1.00 0.00 N ATOM 2274 CA HIS B 68 72.147 8.888 35.179 1.00 0.00 C ATOM 2275 C HIS B 68 72.374 9.846 36.340 1.00 0.00 C ATOM 2276 O HIS B 68 72.919 10.934 36.155 1.00 0.00 O ATOM 2277 CB HIS B 68 73.447 8.156 34.833 1.00 0.00 C ATOM 2278 CG HIS B 68 73.954 7.251 35.915 1.00 0.00 C ATOM 2279 ND1 HIS B 68 74.983 7.590 36.765 1.00 0.00 N ATOM 2280 CD2 HIS B 68 73.573 6.001 36.276 1.00 0.00 C ATOM 2281 CE1 HIS B 68 75.215 6.594 37.597 1.00 0.00 C ATOM 2282 NE2 HIS B 68 74.373 5.615 37.322 1.00 0.00 N ATOM 0 H HIS B 68 72.301 10.318 33.659 1.00 0.00 H new ATOM 0 HA HIS B 68 71.397 8.156 35.479 1.00 0.00 H new ATOM 0 HB2 HIS B 68 73.289 7.568 33.929 1.00 0.00 H new ATOM 0 HB3 HIS B 68 74.215 8.894 34.604 1.00 0.00 H new ATOM 0 HD2 HIS B 68 72.785 5.417 35.824 1.00 0.00 H new ATOM 0 HE1 HIS B 68 75.967 6.581 38.372 1.00 0.00 H new ATOM 0 HE2 HIS B 68 74.325 4.719 37.807 1.00 0.00 H new ATOM 2291 N HIS B 69 71.952 9.439 37.527 1.00 0.00 N ATOM 2292 CA HIS B 69 72.152 10.238 38.723 1.00 0.00 C ATOM 2293 C HIS B 69 73.531 9.967 39.306 1.00 0.00 C ATOM 2294 O HIS B 69 74.420 10.824 39.147 1.00 0.00 O ATOM 2295 CB HIS B 69 71.070 9.935 39.764 1.00 0.00 C ATOM 2296 CG HIS B 69 71.120 10.833 40.967 1.00 0.00 C ATOM 2297 ND1 HIS B 69 70.266 11.900 41.139 1.00 0.00 N ATOM 2298 CD2 HIS B 69 71.918 10.817 42.064 1.00 0.00 C ATOM 2299 CE1 HIS B 69 70.537 12.501 42.282 1.00 0.00 C ATOM 2300 NE2 HIS B 69 71.535 11.866 42.860 1.00 0.00 N ATOM 2301 OXT HIS B 69 73.723 8.890 39.906 1.00 0.00 O ATOM 0 H HIS B 69 71.467 8.556 37.687 1.00 0.00 H new ATOM 0 HA HIS B 69 72.081 11.291 38.451 1.00 0.00 H new ATOM 0 HB2 HIS B 69 70.091 10.026 39.294 1.00 0.00 H new ATOM 0 HB3 HIS B 69 71.172 8.900 40.090 1.00 0.00 H new ATOM 0 HD2 HIS B 69 72.708 10.110 42.272 1.00 0.00 H new ATOM 0 HE1 HIS B 69 70.027 13.367 42.677 1.00 0.00 H new ATOM 0 HE2 HIS B 69 71.956 12.114 43.755 1.00 0.00 H new