USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 CYS SG : rot -2:sc= -3.62! USER MOD Set 1.2: A 49 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.1) USER MOD Set 2.1: A 5 CYS SG : rot 110:sc= 2.7 USER MOD Set 2.2: A 10 CYS SG : rot 176:sc= -1.35! USER MOD Set 2.3: A 12 ASN : amide:sc= -0.953 K(o=-7.1,f=-9.9!) USER MOD Set 2.4: A 54 CYS SG : rot -100:sc= -5.04! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -2.46! C(o=-7.1!,f=-19!) USER MOD Single : A 6 SER OG : rot 85:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.19) USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= -0.077 (180deg=-0.613) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -5.66 F(o=-9.8!,f=-5.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -140:sc=-0.00504 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 150:sc= -0.13 (180deg=-0.921) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.124 K(o=-0.12,f=-3.5!) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.0316 (180deg=-0.517) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0763 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -55:sc= -3.01! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 55 SER OG : rot 90:sc= -1.28 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0704 USER MOD Single : A 62 SER OG : rot -145:sc= -3.06! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -130:sc= -2.06! USER MOD Single : A 68 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.1!) USER MOD Single : A 69 ASN : amide:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0487) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.206 F(o=-1.3,f=-0.21) USER MOD Single : A 79 THR OG1 : rot -21:sc= 0.0874 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.528 1.574 -3.936 1.00 10.00 N ATOM 65 CA CYS A 5 -7.674 2.217 -2.949 1.00 10.00 C ATOM 66 C CYS A 5 -8.417 2.344 -1.622 1.00 10.00 C ATOM 67 O CYS A 5 -9.610 2.058 -1.552 1.00 10.00 O ATOM 68 CB CYS A 5 -7.254 3.599 -3.456 1.00 10.00 C ATOM 69 SG CYS A 5 -7.156 3.706 -5.251 1.00 10.00 S ATOM 0 HA CYS A 5 -6.782 1.610 -2.793 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.965 4.342 -3.094 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.283 3.854 -3.031 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.119 4.458 -5.694 1.00 10.00 H new ATOM 74 N SER A 6 -7.716 2.792 -0.587 1.00 10.00 N ATOM 75 CA SER A 6 -8.303 2.961 0.747 1.00 10.00 C ATOM 76 C SER A 6 -9.234 4.181 0.802 1.00 10.00 C ATOM 77 O SER A 6 -9.746 4.538 1.859 1.00 10.00 O ATOM 78 CB SER A 6 -7.187 3.099 1.792 1.00 10.00 C ATOM 79 OG SER A 6 -7.572 2.548 3.038 1.00 10.00 O ATOM 0 H SER A 6 -6.730 3.048 -0.643 1.00 10.00 H new ATOM 0 HA SER A 6 -8.901 2.077 0.968 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.288 2.598 1.434 1.00 10.00 H new ATOM 0 HB3 SER A 6 -6.936 4.152 1.921 1.00 10.00 H new ATOM 0 HG SER A 6 -7.395 1.584 3.038 1.00 10.00 H new ATOM 85 N ALA A 7 -9.441 4.820 -0.340 1.00 10.00 N ATOM 86 CA ALA A 7 -10.298 5.995 -0.416 1.00 10.00 C ATOM 87 C ALA A 7 -11.776 5.614 -0.436 1.00 10.00 C ATOM 88 O ALA A 7 -12.136 4.450 -0.294 1.00 10.00 O ATOM 89 CB ALA A 7 -9.954 6.815 -1.643 1.00 10.00 C ATOM 0 H ALA A 7 -9.026 4.544 -1.230 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.121 6.593 0.478 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.601 7.691 -1.689 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.914 7.135 -1.587 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.099 6.209 -2.538 1.00 10.00 H new ATOM 95 N TYR A 8 -12.628 6.599 -0.661 1.00 10.00 N ATOM 96 CA TYR A 8 -14.060 6.371 -0.674 1.00 10.00 C ATOM 97 C TYR A 8 -14.610 6.372 -2.099 1.00 10.00 C ATOM 98 O TYR A 8 -15.004 7.412 -2.626 1.00 10.00 O ATOM 99 CB TYR A 8 -14.742 7.446 0.186 1.00 10.00 C ATOM 100 CG TYR A 8 -16.261 7.446 0.154 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.987 6.275 -0.054 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.970 8.627 0.342 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.367 6.283 -0.077 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.353 8.641 0.320 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.044 7.468 0.109 1.00 10.00 C ATOM 106 OH TYR A 8 -20.418 7.480 0.086 1.00 10.00 O ATOM 0 H TYR A 8 -12.351 7.565 -0.837 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.271 5.387 -0.256 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.418 7.319 1.219 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.390 8.424 -0.140 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.460 5.344 -0.200 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.432 9.549 0.508 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.913 5.365 -0.240 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.889 9.567 0.468 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.740 8.394 0.234 1.00 10.00 H new ATOM 116 N GLY A 9 -14.604 5.200 -2.728 1.00 10.00 N ATOM 117 CA GLY A 9 -15.142 5.080 -4.069 1.00 10.00 C ATOM 118 C GLY A 9 -14.087 5.099 -5.157 1.00 10.00 C ATOM 119 O GLY A 9 -14.417 5.071 -6.340 1.00 10.00 O ATOM 0 H GLY A 9 -14.237 4.334 -2.333 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.708 4.151 -4.141 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.844 5.895 -4.243 1.00 10.00 H new ATOM 123 N CYS A 10 -12.818 5.120 -4.774 1.00 10.00 N ATOM 124 CA CYS A 10 -11.740 5.150 -5.749 1.00 10.00 C ATOM 125 C CYS A 10 -11.406 3.761 -6.282 1.00 10.00 C ATOM 126 O CYS A 10 -10.402 3.158 -5.892 1.00 10.00 O ATOM 127 CB CYS A 10 -10.484 5.803 -5.178 1.00 10.00 C ATOM 128 SG CYS A 10 -9.195 6.063 -6.414 1.00 10.00 S ATOM 0 H CYS A 10 -12.512 5.117 -3.801 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.100 5.754 -6.582 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.751 6.762 -4.733 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.090 5.178 -4.377 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.194 6.691 -5.872 1.00 10.00 H new ATOM 133 N LYS A 11 -12.271 3.232 -7.134 1.00 10.00 N ATOM 134 CA LYS A 11 -12.036 1.931 -7.748 1.00 10.00 C ATOM 135 C LYS A 11 -11.166 2.113 -8.991 1.00 10.00 C ATOM 136 O LYS A 11 -11.426 1.536 -10.048 1.00 10.00 O ATOM 137 CB LYS A 11 -13.361 1.251 -8.111 1.00 10.00 C ATOM 138 CG LYS A 11 -14.135 0.743 -6.903 1.00 10.00 C ATOM 139 CD LYS A 11 -15.328 -0.117 -7.310 1.00 10.00 C ATOM 140 CE LYS A 11 -14.883 -1.440 -7.925 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.000 -2.422 -8.002 1.00 10.00 N ATOM 0 H LYS A 11 -13.142 3.682 -7.417 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.519 1.288 -7.036 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.984 1.957 -8.661 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.159 0.415 -8.781 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.470 0.162 -6.264 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.483 1.591 -6.313 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.951 -0.312 -6.437 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -15.943 0.429 -8.025 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.488 -1.261 -8.925 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.071 -1.860 -7.332 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.656 -3.307 -8.426 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.361 -2.613 -7.045 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.765 -2.032 -8.589 1.00 10.00 H new ATOM 155 N ASN A 12 -10.119 2.915 -8.834 1.00 10.00 N ATOM 156 CA ASN A 12 -9.179 3.225 -9.912 1.00 10.00 C ATOM 157 C ASN A 12 -8.165 2.119 -10.091 1.00 10.00 C ATOM 158 O ASN A 12 -6.960 2.365 -10.103 1.00 10.00 O ATOM 159 CB ASN A 12 -8.441 4.515 -9.621 1.00 10.00 C ATOM 160 CG ASN A 12 -9.344 5.740 -9.646 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.543 5.653 -9.386 1.00 10.00 O ATOM 162 ND2 ASN A 12 -8.772 6.889 -9.962 1.00 10.00 N ATOM 0 H ASN A 12 -9.895 3.373 -7.951 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.762 3.329 -10.827 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.966 4.442 -8.643 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.644 4.644 -10.354 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.328 7.743 -9.996 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -7.774 6.921 -10.171 1.00 10.00 H new ATOM 169 N ARG A 13 -8.688 0.912 -10.159 1.00 10.00 N ATOM 170 CA ARG A 13 -7.919 -0.317 -10.372 1.00 10.00 C ATOM 171 C ARG A 13 -6.706 -0.042 -11.267 1.00 10.00 C ATOM 172 O ARG A 13 -6.867 0.536 -12.342 1.00 10.00 O ATOM 173 CB ARG A 13 -8.848 -1.335 -11.046 1.00 10.00 C ATOM 174 CG ARG A 13 -8.496 -2.802 -10.848 1.00 10.00 C ATOM 175 CD ARG A 13 -7.137 -3.164 -11.425 1.00 10.00 C ATOM 176 NE ARG A 13 -7.180 -4.445 -12.136 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.506 -4.717 -13.256 1.00 10.00 C ATOM 178 NH1 ARG A 13 -5.786 -3.782 -13.853 1.00 10.00 N ATOM 179 NH2 ARG A 13 -6.576 -5.926 -13.796 1.00 10.00 N ATOM 0 H ARG A 13 -9.690 0.744 -10.066 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.552 -0.701 -9.420 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.860 -1.173 -10.675 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.864 -1.128 -12.116 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.507 -3.033 -9.783 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.261 -3.421 -11.316 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.809 -2.379 -12.107 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.402 -3.217 -10.622 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.768 -5.182 -11.747 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.742 -2.843 -13.458 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.275 -4.000 -14.708 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.145 -6.649 -13.356 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -6.061 -6.133 -14.652 1.00 10.00 H new ATOM 193 N TYR A 14 -5.514 -0.456 -10.805 1.00 10.00 N ATOM 194 CA TYR A 14 -4.246 -0.262 -11.532 1.00 10.00 C ATOM 195 C TYR A 14 -4.433 -0.258 -13.042 1.00 10.00 C ATOM 196 O TYR A 14 -4.706 -1.294 -13.650 1.00 10.00 O ATOM 197 CB TYR A 14 -3.238 -1.356 -11.169 1.00 10.00 C ATOM 198 CG TYR A 14 -1.819 -0.863 -10.939 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.190 0.008 -11.828 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.106 -1.273 -9.820 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.101 0.453 -11.599 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.182 -0.832 -9.589 1.00 10.00 C ATOM 203 CZ TYR A 14 0.780 0.030 -10.479 1.00 10.00 C ATOM 204 OH TYR A 14 2.062 0.475 -10.241 1.00 10.00 O ATOM 0 H TYR A 14 -5.402 -0.937 -9.913 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.870 0.715 -11.228 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.582 -1.863 -10.268 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.225 -2.098 -11.967 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.718 0.341 -12.709 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.568 -1.950 -9.117 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.573 1.129 -12.296 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.718 -1.163 -8.712 1.00 10.00 H new ATOM 0 HH TYR A 14 2.396 0.081 -9.408 1.00 10.00 H new ATOM 214 N ASP A 15 -4.297 0.917 -13.624 1.00 10.00 N ATOM 215 CA ASP A 15 -4.429 1.101 -15.053 1.00 10.00 C ATOM 216 C ASP A 15 -3.209 1.846 -15.546 1.00 10.00 C ATOM 217 O ASP A 15 -3.013 3.014 -15.223 1.00 10.00 O ATOM 218 CB ASP A 15 -5.699 1.878 -15.390 1.00 10.00 C ATOM 219 CG ASP A 15 -5.906 2.017 -16.880 1.00 10.00 C ATOM 220 OD1 ASP A 15 -6.532 1.122 -17.487 1.00 10.00 O ATOM 221 OD2 ASP A 15 -5.448 3.025 -17.445 1.00 10.00 O ATOM 0 H ASP A 15 -4.090 1.776 -13.114 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.502 0.130 -15.543 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.559 1.372 -14.951 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.647 2.869 -14.938 1.00 10.00 H new ATOM 226 N LYS A 16 -2.392 1.149 -16.307 1.00 10.00 N ATOM 227 CA LYS A 16 -1.154 1.695 -16.841 1.00 10.00 C ATOM 228 C LYS A 16 -1.392 2.922 -17.724 1.00 10.00 C ATOM 229 O LYS A 16 -0.511 3.775 -17.861 1.00 10.00 O ATOM 230 CB LYS A 16 -0.427 0.598 -17.618 1.00 10.00 C ATOM 231 CG LYS A 16 -0.440 0.800 -19.125 1.00 10.00 C ATOM 232 CD LYS A 16 -0.474 -0.522 -19.869 1.00 10.00 C ATOM 233 CE LYS A 16 -0.605 -0.303 -21.365 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.022 -0.197 -21.791 1.00 10.00 N ATOM 0 H LYS A 16 -2.566 0.181 -16.577 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.538 2.033 -16.008 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.607 0.549 -17.277 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.886 -0.363 -17.386 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.308 1.397 -19.404 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.444 1.363 -19.424 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.436 -1.085 -19.659 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.310 -1.123 -19.512 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.073 0.606 -21.646 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.128 -1.128 -21.895 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.064 0.069 -22.795 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.495 -1.114 -21.656 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.503 0.528 -21.221 1.00 10.00 H new ATOM 248 N ASP A 17 -2.571 3.004 -18.326 1.00 10.00 N ATOM 249 CA ASP A 17 -2.902 4.126 -19.189 1.00 10.00 C ATOM 250 C ASP A 17 -3.076 5.389 -18.361 1.00 10.00 C ATOM 251 O ASP A 17 -2.808 6.495 -18.832 1.00 10.00 O ATOM 252 CB ASP A 17 -4.173 3.847 -19.998 1.00 10.00 C ATOM 253 CG ASP A 17 -4.035 2.655 -20.922 1.00 10.00 C ATOM 254 OD1 ASP A 17 -2.892 2.219 -21.178 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.071 2.142 -21.393 1.00 10.00 O ATOM 0 H ASP A 17 -3.311 2.308 -18.232 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.079 4.267 -19.890 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.003 3.675 -19.313 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.424 4.729 -20.587 1.00 10.00 H new ATOM 260 N LYS A 18 -3.509 5.212 -17.124 1.00 10.00 N ATOM 261 CA LYS A 18 -3.710 6.324 -16.219 1.00 10.00 C ATOM 262 C LYS A 18 -2.424 6.578 -15.427 1.00 10.00 C ATOM 263 O LYS A 18 -1.721 5.637 -15.049 1.00 10.00 O ATOM 264 CB LYS A 18 -4.905 6.042 -15.297 1.00 10.00 C ATOM 265 CG LYS A 18 -4.549 5.510 -13.913 1.00 10.00 C ATOM 266 CD LYS A 18 -5.780 5.011 -13.160 1.00 10.00 C ATOM 267 CE LYS A 18 -6.849 6.084 -13.036 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.839 6.011 -14.143 1.00 10.00 N ATOM 0 H LYS A 18 -3.729 4.300 -16.724 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.940 7.227 -16.785 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.476 6.963 -15.178 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.559 5.322 -15.788 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.829 4.697 -14.011 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.065 6.297 -13.335 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.194 4.145 -13.677 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.485 4.677 -12.165 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.363 5.975 -12.081 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.378 7.067 -13.034 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -7.944 6.950 -14.577 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.509 5.333 -14.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.757 5.698 -13.768 1.00 10.00 H new ATOM 282 N PRO A 19 -2.075 7.848 -15.188 1.00 10.00 N ATOM 283 CA PRO A 19 -0.854 8.189 -14.462 1.00 10.00 C ATOM 284 C PRO A 19 -0.985 8.083 -12.939 1.00 10.00 C ATOM 285 O PRO A 19 -1.115 9.088 -12.233 1.00 10.00 O ATOM 286 CB PRO A 19 -0.603 9.636 -14.887 1.00 10.00 C ATOM 287 CG PRO A 19 -1.951 10.197 -15.189 1.00 10.00 C ATOM 288 CD PRO A 19 -2.818 9.043 -15.630 1.00 10.00 C ATOM 0 HA PRO A 19 -0.043 7.499 -14.697 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.111 10.199 -14.094 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.047 9.682 -15.761 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.373 10.683 -14.309 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.888 10.953 -15.971 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.807 9.090 -15.173 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.965 9.044 -16.710 1.00 10.00 H new ATOM 296 N VAL A 20 -0.949 6.853 -12.435 1.00 10.00 N ATOM 297 CA VAL A 20 -1.005 6.597 -10.998 1.00 10.00 C ATOM 298 C VAL A 20 -0.195 5.350 -10.669 1.00 10.00 C ATOM 299 O VAL A 20 -0.037 4.457 -11.504 1.00 10.00 O ATOM 300 CB VAL A 20 -2.443 6.431 -10.399 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.424 7.469 -10.925 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.980 5.022 -10.602 1.00 10.00 C ATOM 0 H VAL A 20 -0.881 6.011 -13.006 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.589 7.493 -10.537 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.344 6.603 -9.327 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.403 7.305 -10.476 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.070 8.467 -10.668 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.502 7.379 -12.008 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.979 4.948 -10.173 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.026 4.800 -11.668 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.320 4.307 -10.111 1.00 10.00 H new ATOM 312 N SER A 21 0.353 5.323 -9.472 1.00 10.00 N ATOM 313 CA SER A 21 1.126 4.191 -8.999 1.00 10.00 C ATOM 314 C SER A 21 0.547 3.733 -7.676 1.00 10.00 C ATOM 315 O SER A 21 -0.204 4.477 -7.047 1.00 10.00 O ATOM 316 CB SER A 21 2.592 4.574 -8.814 1.00 10.00 C ATOM 317 OG SER A 21 3.032 5.445 -9.843 1.00 10.00 O ATOM 0 H SER A 21 0.276 6.085 -8.798 1.00 10.00 H new ATOM 0 HA SER A 21 1.076 3.388 -9.735 1.00 10.00 H new ATOM 0 HB2 SER A 21 2.724 5.056 -7.845 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.207 3.674 -8.809 1.00 10.00 H new ATOM 0 HG SER A 21 3.974 5.674 -9.697 1.00 10.00 H new ATOM 323 N PHE A 22 0.884 2.535 -7.238 1.00 10.00 N ATOM 324 CA PHE A 22 0.368 2.040 -5.977 1.00 10.00 C ATOM 325 C PHE A 22 1.486 2.006 -4.930 1.00 10.00 C ATOM 326 O PHE A 22 2.664 2.129 -5.257 1.00 10.00 O ATOM 327 CB PHE A 22 -0.298 0.665 -6.161 1.00 10.00 C ATOM 328 CG PHE A 22 -1.791 0.727 -6.402 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.676 0.788 -5.336 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.309 0.713 -7.690 1.00 10.00 C ATOM 331 CE1 PHE A 22 -4.042 0.840 -5.549 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.679 0.762 -7.910 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.542 0.827 -6.837 1.00 10.00 C ATOM 0 H PHE A 22 1.505 1.893 -7.730 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.404 2.719 -5.615 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.174 0.155 -7.001 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.109 0.060 -5.274 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.294 0.795 -4.326 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.636 0.663 -8.533 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.718 0.891 -4.708 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.067 0.749 -8.918 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.608 0.868 -7.003 1.00 10.00 H new ATOM 343 N HIS A 23 1.084 1.954 -3.669 1.00 10.00 N ATOM 344 CA HIS A 23 2.006 1.930 -2.519 1.00 10.00 C ATOM 345 C HIS A 23 1.310 1.288 -1.355 1.00 10.00 C ATOM 346 O HIS A 23 0.141 1.005 -1.443 1.00 10.00 O ATOM 347 CB HIS A 23 2.384 3.332 -2.049 1.00 10.00 C ATOM 348 CG HIS A 23 2.044 4.417 -2.999 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.809 5.183 -3.811 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.751 4.792 -3.221 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.952 5.998 -4.507 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.716 5.729 -4.121 1.00 10.00 N flip ATOM 0 H HIS A 23 0.100 1.927 -3.401 1.00 10.00 H new ATOM 0 HA HIS A 23 2.898 1.393 -2.841 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.885 3.529 -1.100 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.457 3.359 -1.857 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.826 5.159 -3.890 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.112 4.374 -2.724 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.238 6.734 -5.244 1.00 10.00 H new ATOM 361 N LYS A 24 2.000 1.090 -0.261 1.00 10.00 N ATOM 362 CA LYS A 24 1.379 0.516 0.913 1.00 10.00 C ATOM 363 C LYS A 24 1.227 1.625 1.962 1.00 10.00 C ATOM 364 O LYS A 24 1.798 2.705 1.792 1.00 10.00 O ATOM 365 CB LYS A 24 2.218 -0.636 1.466 1.00 10.00 C ATOM 366 CG LYS A 24 1.809 -1.997 0.926 1.00 10.00 C ATOM 367 CD LYS A 24 2.950 -2.995 1.008 1.00 10.00 C ATOM 368 CE LYS A 24 3.390 -3.249 2.442 1.00 10.00 C ATOM 369 NZ LYS A 24 4.671 -4.004 2.505 1.00 10.00 N ATOM 0 H LYS A 24 2.989 1.316 -0.155 1.00 10.00 H new ATOM 0 HA LYS A 24 0.402 0.109 0.653 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.267 -0.459 1.227 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.136 -0.646 2.553 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.955 -2.372 1.491 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.486 -1.896 -0.110 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.641 -3.936 0.553 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.797 -2.624 0.430 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.504 -2.297 2.961 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.614 -3.807 2.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.936 -4.156 3.499 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.556 -4.923 2.033 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.418 -3.461 2.027 1.00 10.00 H new ATOM 383 N PHE A 25 0.449 1.394 3.016 1.00 10.00 N ATOM 384 CA PHE A 25 0.274 2.409 4.067 1.00 10.00 C ATOM 385 C PHE A 25 1.613 2.751 4.704 1.00 10.00 C ATOM 386 O PHE A 25 2.555 1.957 4.645 1.00 10.00 O ATOM 387 CB PHE A 25 -0.634 1.901 5.189 1.00 10.00 C ATOM 388 CG PHE A 25 -2.042 2.458 5.194 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.939 2.120 4.206 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.470 3.303 6.209 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.233 2.617 4.212 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.761 3.798 6.224 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.641 3.456 5.222 1.00 10.00 C ATOM 0 H PHE A 25 -0.067 0.528 3.170 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.170 3.282 3.588 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.692 0.815 5.121 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.166 2.136 6.145 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.629 1.456 3.412 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.785 3.577 6.998 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.920 2.345 3.424 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.079 4.453 7.022 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.648 3.845 5.229 1.00 10.00 H new ATOM 403 N PRO A 26 1.722 3.936 5.324 1.00 10.00 N ATOM 404 CA PRO A 26 2.938 4.345 6.027 1.00 10.00 C ATOM 405 C PRO A 26 3.116 3.509 7.290 1.00 10.00 C ATOM 406 O PRO A 26 2.870 3.974 8.400 1.00 10.00 O ATOM 407 CB PRO A 26 2.658 5.799 6.393 1.00 10.00 C ATOM 408 CG PRO A 26 1.179 5.875 6.470 1.00 10.00 C ATOM 409 CD PRO A 26 0.688 4.985 5.374 1.00 10.00 C ATOM 0 HA PRO A 26 3.844 4.218 5.434 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.121 6.067 7.343 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.054 6.482 5.642 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.817 5.540 7.442 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.829 6.898 6.334 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.296 4.573 5.596 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.604 5.517 4.426 1.00 10.00 H new ATOM 417 N LEU A 27 3.533 2.270 7.112 1.00 10.00 N ATOM 418 CA LEU A 27 3.701 1.354 8.220 1.00 10.00 C ATOM 419 C LEU A 27 4.837 1.792 9.113 1.00 10.00 C ATOM 420 O LEU A 27 4.873 1.485 10.305 1.00 10.00 O ATOM 421 CB LEU A 27 3.924 -0.054 7.687 1.00 10.00 C ATOM 422 CG LEU A 27 2.637 -0.753 7.244 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.930 -2.152 6.733 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.648 -0.793 8.391 1.00 10.00 C ATOM 0 H LEU A 27 3.763 1.874 6.201 1.00 10.00 H new ATOM 0 HA LEU A 27 2.795 1.357 8.827 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.612 -0.009 6.843 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.406 -0.654 8.459 1.00 10.00 H new ATOM 0 HG LEU A 27 2.197 -0.186 6.424 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.000 -2.629 6.424 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.608 -2.094 5.882 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.393 -2.739 7.526 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.735 -1.292 8.067 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.083 -1.340 9.228 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.414 0.224 8.705 1.00 10.00 H new ATOM 436 N THR A 28 5.751 2.531 8.528 1.00 10.00 N ATOM 437 CA THR A 28 6.888 3.041 9.244 1.00 10.00 C ATOM 438 C THR A 28 6.600 4.445 9.782 1.00 10.00 C ATOM 439 O THR A 28 7.481 5.129 10.305 1.00 10.00 O ATOM 440 CB THR A 28 8.110 3.035 8.317 1.00 10.00 C ATOM 441 OG1 THR A 28 7.911 3.958 7.238 1.00 10.00 O ATOM 442 CG2 THR A 28 8.305 1.635 7.752 1.00 10.00 C ATOM 0 H THR A 28 5.724 2.793 7.543 1.00 10.00 H new ATOM 0 HA THR A 28 7.097 2.403 10.103 1.00 10.00 H new ATOM 0 HB THR A 28 8.992 3.332 8.884 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.255 3.569 6.407 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.173 1.626 7.092 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.464 0.932 8.569 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.418 1.343 7.189 1.00 10.00 H new ATOM 450 N ARG A 29 5.335 4.843 9.671 1.00 10.00 N ATOM 451 CA ARG A 29 4.861 6.139 10.134 1.00 10.00 C ATOM 452 C ARG A 29 3.461 5.961 10.715 1.00 10.00 C ATOM 453 O ARG A 29 2.514 6.559 10.232 1.00 10.00 O ATOM 454 CB ARG A 29 4.805 7.121 8.953 1.00 10.00 C ATOM 455 CG ARG A 29 5.925 8.140 8.911 1.00 10.00 C ATOM 456 CD ARG A 29 5.627 9.332 9.797 1.00 10.00 C ATOM 457 NE ARG A 29 6.632 9.500 10.842 1.00 10.00 N ATOM 458 CZ ARG A 29 7.786 10.155 10.694 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.099 10.724 9.532 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.625 10.235 11.716 1.00 10.00 N ATOM 0 H ARG A 29 4.605 4.267 9.252 1.00 10.00 H new ATOM 0 HA ARG A 29 5.536 6.535 10.893 1.00 10.00 H new ATOM 0 HB2 ARG A 29 4.819 6.550 8.025 1.00 10.00 H new ATOM 0 HB3 ARG A 29 3.853 7.651 8.986 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.856 7.672 9.231 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.073 8.476 7.885 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.583 10.235 9.188 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.645 9.208 10.254 1.00 10.00 H new ATOM 0 HE ARG A 29 6.438 9.086 11.754 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.455 10.662 8.744 1.00 10.00 H new ATOM 0 HH12 ARG A 29 8.983 11.222 9.430 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.387 9.798 12.607 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.509 10.733 11.612 1.00 10.00 H new ATOM 474 N PRO A 30 3.325 5.128 11.761 1.00 10.00 N ATOM 475 CA PRO A 30 2.031 4.801 12.385 1.00 10.00 C ATOM 476 C PRO A 30 1.131 5.987 12.735 1.00 10.00 C ATOM 477 O PRO A 30 -0.005 6.031 12.284 1.00 10.00 O ATOM 478 CB PRO A 30 2.408 4.069 13.664 1.00 10.00 C ATOM 479 CG PRO A 30 3.887 4.216 13.813 1.00 10.00 C ATOM 480 CD PRO A 30 4.426 4.434 12.439 1.00 10.00 C ATOM 0 HA PRO A 30 1.437 4.231 11.671 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.887 4.493 14.522 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.126 3.018 13.608 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.131 5.055 14.464 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.323 3.325 14.265 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.335 5.035 12.452 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.673 3.493 11.948 1.00 10.00 H new ATOM 488 N SER A 31 1.594 6.924 13.559 1.00 10.00 N ATOM 489 CA SER A 31 0.761 8.071 13.923 1.00 10.00 C ATOM 490 C SER A 31 0.229 8.729 12.663 1.00 10.00 C ATOM 491 O SER A 31 -0.966 9.000 12.540 1.00 10.00 O ATOM 492 CB SER A 31 1.558 9.064 14.768 1.00 10.00 C ATOM 493 OG SER A 31 2.139 8.422 15.890 1.00 10.00 O ATOM 0 H SER A 31 2.523 6.915 13.981 1.00 10.00 H new ATOM 0 HA SER A 31 -0.083 7.729 14.523 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.339 9.520 14.160 1.00 10.00 H new ATOM 0 HB3 SER A 31 0.904 9.869 15.103 1.00 10.00 H new ATOM 0 HG SER A 31 2.646 9.076 16.415 1.00 10.00 H new ATOM 499 N LEU A 32 1.111 8.906 11.702 1.00 10.00 N ATOM 500 CA LEU A 32 0.747 9.493 10.431 1.00 10.00 C ATOM 501 C LEU A 32 -0.193 8.533 9.692 1.00 10.00 C ATOM 502 O LEU A 32 -1.162 8.949 9.065 1.00 10.00 O ATOM 503 CB LEU A 32 2.036 9.778 9.641 1.00 10.00 C ATOM 504 CG LEU A 32 1.894 10.384 8.241 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.833 9.301 7.186 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.689 11.294 8.155 1.00 10.00 C ATOM 0 H LEU A 32 2.095 8.649 11.779 1.00 10.00 H new ATOM 0 HA LEU A 32 0.216 10.436 10.561 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.653 10.451 10.237 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.586 8.841 9.547 1.00 10.00 H new ATOM 0 HG LEU A 32 2.780 10.990 8.051 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.732 9.758 6.201 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.747 8.709 7.219 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.975 8.656 7.376 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.617 11.708 7.149 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.213 10.725 8.379 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.794 12.106 8.875 1.00 10.00 H new ATOM 518 N CYS A 33 0.050 7.242 9.863 1.00 10.00 N ATOM 519 CA CYS A 33 -0.754 6.201 9.236 1.00 10.00 C ATOM 520 C CYS A 33 -2.179 6.337 9.718 1.00 10.00 C ATOM 521 O CYS A 33 -3.147 6.188 8.976 1.00 10.00 O ATOM 522 CB CYS A 33 -0.209 4.837 9.676 1.00 10.00 C ATOM 523 SG CYS A 33 -1.041 3.395 8.976 1.00 10.00 S ATOM 0 H CYS A 33 0.811 6.885 10.441 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.716 6.290 8.150 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.847 4.787 9.412 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.270 4.776 10.763 1.00 10.00 H new ATOM 0 HG CYS A 33 -2.029 3.785 8.227 1.00 10.00 H new ATOM 529 N LYS A 34 -2.263 6.705 10.973 1.00 10.00 N ATOM 530 CA LYS A 34 -3.505 6.841 11.674 1.00 10.00 C ATOM 531 C LYS A 34 -4.361 7.981 11.135 1.00 10.00 C ATOM 532 O LYS A 34 -5.583 7.865 11.108 1.00 10.00 O ATOM 533 CB LYS A 34 -3.175 7.015 13.145 1.00 10.00 C ATOM 534 CG LYS A 34 -4.238 7.709 13.966 1.00 10.00 C ATOM 535 CD LYS A 34 -3.585 8.659 14.950 1.00 10.00 C ATOM 536 CE LYS A 34 -4.330 8.694 16.278 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.418 7.345 16.910 1.00 10.00 N ATOM 0 H LYS A 34 -1.446 6.922 11.544 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.113 5.948 11.527 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.989 6.032 13.578 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.247 7.581 13.228 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.916 8.257 13.312 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.837 6.972 14.500 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.552 8.354 15.120 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.555 9.661 14.523 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -3.825 9.380 16.958 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -5.335 9.085 16.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.444 7.447 17.945 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -5.283 6.866 16.587 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.588 6.780 16.639 1.00 10.00 H new ATOM 551 N GLU A 35 -3.759 9.068 10.647 1.00 10.00 N ATOM 552 CA GLU A 35 -4.607 10.147 10.151 1.00 10.00 C ATOM 553 C GLU A 35 -5.223 9.745 8.836 1.00 10.00 C ATOM 554 O GLU A 35 -6.231 10.312 8.427 1.00 10.00 O ATOM 555 CB GLU A 35 -3.927 11.504 10.004 1.00 10.00 C ATOM 556 CG GLU A 35 -2.441 11.465 9.756 1.00 10.00 C ATOM 557 CD GLU A 35 -1.788 12.800 10.060 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.531 13.079 11.252 1.00 10.00 O ATOM 559 OE2 GLU A 35 -1.552 13.586 9.124 1.00 10.00 O ATOM 0 H GLU A 35 -2.752 9.220 10.586 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.364 10.290 10.922 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.400 12.040 9.182 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -4.111 12.082 10.909 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.989 10.689 10.374 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.252 11.195 8.717 1.00 10.00 H new ATOM 566 N TRP A 36 -4.636 8.752 8.174 1.00 10.00 N ATOM 567 CA TRP A 36 -5.199 8.296 6.924 1.00 10.00 C ATOM 568 C TRP A 36 -6.586 7.761 7.214 1.00 10.00 C ATOM 569 O TRP A 36 -7.502 7.933 6.417 1.00 10.00 O ATOM 570 CB TRP A 36 -4.309 7.250 6.250 1.00 10.00 C ATOM 571 CG TRP A 36 -3.001 7.814 5.777 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.296 8.832 6.355 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.248 7.410 4.622 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.158 9.091 5.637 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.097 8.227 4.576 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.424 6.442 3.625 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.137 8.105 3.580 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.466 6.326 2.634 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.334 7.152 2.620 1.00 10.00 C ATOM 0 H TRP A 36 -3.794 8.264 8.478 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.263 9.123 6.217 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.117 6.438 6.951 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.841 6.819 5.402 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.593 9.358 7.250 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.469 9.810 5.857 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.291 5.798 3.630 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.735 8.741 3.564 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.593 5.586 1.858 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.398 7.033 1.835 1.00 10.00 H new ATOM 590 N GLU A 37 -6.752 7.216 8.428 1.00 10.00 N ATOM 591 CA GLU A 37 -8.036 6.681 8.853 1.00 10.00 C ATOM 592 C GLU A 37 -9.043 7.823 8.904 1.00 10.00 C ATOM 593 O GLU A 37 -10.204 7.668 8.527 1.00 10.00 O ATOM 594 CB GLU A 37 -7.935 6.036 10.245 1.00 10.00 C ATOM 595 CG GLU A 37 -6.715 5.150 10.461 1.00 10.00 C ATOM 596 CD GLU A 37 -6.955 3.686 10.144 1.00 10.00 C ATOM 597 OE1 GLU A 37 -8.008 3.151 10.550 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.069 3.051 9.533 1.00 10.00 O ATOM 0 H GLU A 37 -6.011 7.138 9.124 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.351 5.916 8.144 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.927 6.827 10.995 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.832 5.441 10.418 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.897 5.517 9.840 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.393 5.239 11.498 1.00 10.00 H new ATOM 605 N ALA A 38 -8.548 8.993 9.313 1.00 10.00 N ATOM 606 CA ALA A 38 -9.361 10.194 9.444 1.00 10.00 C ATOM 607 C ALA A 38 -9.912 10.630 8.095 1.00 10.00 C ATOM 608 O ALA A 38 -10.973 11.254 8.016 1.00 10.00 O ATOM 609 CB ALA A 38 -8.553 11.319 10.086 1.00 10.00 C ATOM 0 H ALA A 38 -7.568 9.130 9.562 1.00 10.00 H new ATOM 0 HA ALA A 38 -10.206 9.962 10.092 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -9.176 12.209 10.176 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.219 11.008 11.076 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.686 11.545 9.465 1.00 10.00 H new ATOM 615 N ALA A 39 -9.205 10.276 7.027 1.00 10.00 N ATOM 616 CA ALA A 39 -9.644 10.636 5.693 1.00 10.00 C ATOM 617 C ALA A 39 -10.660 9.617 5.200 1.00 10.00 C ATOM 618 O ALA A 39 -11.513 9.921 4.359 1.00 10.00 O ATOM 619 CB ALA A 39 -8.459 10.741 4.744 1.00 10.00 C ATOM 0 H ALA A 39 -8.335 9.745 7.062 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.121 11.616 5.725 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.812 11.012 3.749 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.770 11.505 5.105 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.944 9.781 4.697 1.00 10.00 H new ATOM 625 N VAL A 40 -10.572 8.406 5.746 1.00 10.00 N ATOM 626 CA VAL A 40 -11.480 7.322 5.399 1.00 10.00 C ATOM 627 C VAL A 40 -12.684 7.362 6.343 1.00 10.00 C ATOM 628 O VAL A 40 -13.118 6.347 6.886 1.00 10.00 O ATOM 629 CB VAL A 40 -10.790 5.951 5.503 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.490 4.935 4.617 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.314 6.041 5.130 1.00 10.00 C ATOM 0 H VAL A 40 -9.869 8.152 6.440 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.800 7.457 4.366 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.858 5.625 6.541 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.989 3.971 4.703 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.529 4.833 4.931 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.455 5.271 3.581 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.857 5.055 5.214 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.219 6.399 4.105 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.810 6.734 5.804 1.00 10.00 H new ATOM 641 N ARG A 41 -13.191 8.570 6.532 1.00 10.00 N ATOM 642 CA ARG A 41 -14.331 8.871 7.415 1.00 10.00 C ATOM 643 C ARG A 41 -15.639 8.161 7.029 1.00 10.00 C ATOM 644 O ARG A 41 -16.710 8.539 7.503 1.00 10.00 O ATOM 645 CB ARG A 41 -14.575 10.389 7.442 1.00 10.00 C ATOM 646 CG ARG A 41 -15.270 10.944 6.198 1.00 10.00 C ATOM 647 CD ARG A 41 -14.302 11.158 5.044 1.00 10.00 C ATOM 648 NE ARG A 41 -14.732 12.247 4.167 1.00 10.00 N ATOM 649 CZ ARG A 41 -14.082 12.627 3.066 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.958 12.011 2.700 1.00 10.00 N ATOM 651 NH2 ARG A 41 -14.552 13.634 2.338 1.00 10.00 N ATOM 0 H ARG A 41 -12.818 9.398 6.067 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.053 8.492 8.398 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.178 10.631 8.317 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.618 10.896 7.564 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -16.057 10.257 5.887 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.752 11.890 6.445 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.310 11.379 5.438 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.217 10.238 4.466 1.00 10.00 H new ATOM 0 HE ARG A 41 -15.585 12.749 4.414 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.590 11.244 3.263 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.466 12.306 1.857 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -15.407 14.113 2.622 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -14.058 13.928 1.495 1.00 10.00 H new ATOM 665 N ARG A 42 -15.573 7.157 6.175 1.00 10.00 N ATOM 666 CA ARG A 42 -16.774 6.457 5.753 1.00 10.00 C ATOM 667 C ARG A 42 -16.945 5.141 6.499 1.00 10.00 C ATOM 668 O ARG A 42 -15.971 4.557 6.976 1.00 10.00 O ATOM 669 CB ARG A 42 -16.751 6.224 4.242 1.00 10.00 C ATOM 670 CG ARG A 42 -17.818 7.013 3.504 1.00 10.00 C ATOM 671 CD ARG A 42 -17.686 8.503 3.783 1.00 10.00 C ATOM 672 NE ARG A 42 -18.973 9.191 3.743 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.530 9.800 4.791 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.934 9.788 5.981 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.699 10.408 4.652 1.00 10.00 N ATOM 0 H ARG A 42 -14.708 6.809 5.762 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.631 7.085 5.997 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.770 6.497 3.853 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.889 5.161 4.042 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.734 6.831 2.433 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.806 6.669 3.809 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.230 8.648 4.762 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.015 8.950 3.049 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.479 9.207 2.857 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.041 9.309 6.099 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.370 10.257 6.775 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.169 10.409 3.747 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.129 10.875 5.450 1.00 10.00 H new ATOM 689 N LYS A 43 -18.198 4.703 6.617 1.00 10.00 N ATOM 690 CA LYS A 43 -18.530 3.453 7.293 1.00 10.00 C ATOM 691 C LYS A 43 -17.818 2.280 6.639 1.00 10.00 C ATOM 692 O LYS A 43 -17.248 1.424 7.321 1.00 10.00 O ATOM 693 CB LYS A 43 -20.048 3.219 7.259 1.00 10.00 C ATOM 694 CG LYS A 43 -20.449 1.759 7.076 1.00 10.00 C ATOM 695 CD LYS A 43 -21.955 1.597 6.940 1.00 10.00 C ATOM 696 CE LYS A 43 -22.342 0.129 6.850 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.806 -0.049 6.703 1.00 10.00 N ATOM 0 H LYS A 43 -19.007 5.203 6.248 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.199 3.529 8.329 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.483 3.591 8.187 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.477 3.807 6.448 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.959 1.356 6.189 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.097 1.176 7.927 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.452 2.055 7.795 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.302 2.123 6.050 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.834 -0.329 6.001 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.001 -0.392 7.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.028 -1.063 6.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.290 0.365 7.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.128 0.426 5.836 1.00 10.00 H new ATOM 711 N ASN A 44 -17.850 2.245 5.317 1.00 10.00 N ATOM 712 CA ASN A 44 -17.217 1.174 4.572 1.00 10.00 C ATOM 713 C ASN A 44 -15.723 1.423 4.428 1.00 10.00 C ATOM 714 O ASN A 44 -15.220 1.675 3.331 1.00 10.00 O ATOM 715 CB ASN A 44 -17.871 0.986 3.193 1.00 10.00 C ATOM 716 CG ASN A 44 -18.456 2.263 2.612 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.952 3.366 2.835 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.544 2.120 1.872 1.00 10.00 N ATOM 0 H ASN A 44 -18.309 2.948 4.738 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.359 0.252 5.136 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.129 0.590 2.500 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.661 0.240 3.275 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.995 2.939 1.464 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.932 1.191 1.710 1.00 10.00 H new ATOM 725 N PHE A 45 -15.034 1.389 5.563 1.00 10.00 N ATOM 726 CA PHE A 45 -13.591 1.570 5.603 1.00 10.00 C ATOM 727 C PHE A 45 -12.938 0.447 4.801 1.00 10.00 C ATOM 728 O PHE A 45 -13.162 -0.732 5.072 1.00 10.00 O ATOM 729 CB PHE A 45 -13.102 1.579 7.069 1.00 10.00 C ATOM 730 CG PHE A 45 -11.648 1.952 7.250 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.656 1.046 6.936 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.273 3.206 7.721 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.322 1.366 7.076 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.939 3.534 7.867 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.960 2.613 7.541 1.00 10.00 C ATOM 0 H PHE A 45 -15.460 1.236 6.477 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.314 2.526 5.160 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.715 2.278 7.638 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.265 0.590 7.498 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.930 0.066 6.573 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.032 3.931 7.975 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.562 0.642 6.822 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.660 4.510 8.236 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.917 2.869 7.650 1.00 10.00 H new ATOM 745 N LYS A 46 -12.163 0.831 3.801 1.00 10.00 N ATOM 746 CA LYS A 46 -11.485 -0.115 2.923 1.00 10.00 C ATOM 747 C LYS A 46 -10.392 -0.881 3.668 1.00 10.00 C ATOM 748 O LYS A 46 -10.189 -0.644 4.847 1.00 10.00 O ATOM 749 CB LYS A 46 -10.944 0.650 1.722 1.00 10.00 C ATOM 750 CG LYS A 46 -11.626 0.241 0.432 1.00 10.00 C ATOM 751 CD LYS A 46 -12.306 1.412 -0.253 1.00 10.00 C ATOM 752 CE LYS A 46 -13.633 0.992 -0.865 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.516 -0.275 -1.642 1.00 10.00 N ATOM 0 H LYS A 46 -11.984 1.809 3.572 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.188 -0.870 2.573 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.082 1.719 1.882 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.871 0.477 1.635 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.890 -0.196 -0.243 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.364 -0.533 0.643 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.471 2.213 0.468 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.654 1.812 -1.030 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.372 0.865 -0.074 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.998 1.785 -1.518 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.233 -0.288 -2.395 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.568 -0.336 -2.065 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.665 -1.086 -1.008 1.00 10.00 H new ATOM 767 N PRO A 47 -9.667 -1.810 3.005 1.00 10.00 N ATOM 768 CA PRO A 47 -8.625 -2.601 3.668 1.00 10.00 C ATOM 769 C PRO A 47 -7.641 -1.753 4.473 1.00 10.00 C ATOM 770 O PRO A 47 -7.461 -0.559 4.229 1.00 10.00 O ATOM 771 CB PRO A 47 -7.941 -3.334 2.518 1.00 10.00 C ATOM 772 CG PRO A 47 -8.979 -3.418 1.456 1.00 10.00 C ATOM 773 CD PRO A 47 -9.788 -2.158 1.579 1.00 10.00 C ATOM 0 HA PRO A 47 -9.045 -3.276 4.414 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.061 -2.793 2.170 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.605 -4.325 2.823 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.524 -3.496 0.469 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.605 -4.300 1.589 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.399 -1.367 0.938 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.827 -2.318 1.292 1.00 10.00 H new ATOM 781 N THR A 48 -6.967 -2.412 5.397 1.00 10.00 N ATOM 782 CA THR A 48 -6.056 -1.753 6.313 1.00 10.00 C ATOM 783 C THR A 48 -4.720 -1.425 5.694 1.00 10.00 C ATOM 784 O THR A 48 -4.504 -1.630 4.510 1.00 10.00 O ATOM 785 CB THR A 48 -5.819 -2.649 7.529 1.00 10.00 C ATOM 786 OG1 THR A 48 -5.003 -3.778 7.162 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.137 -3.153 8.048 1.00 10.00 C ATOM 0 H THR A 48 -7.036 -3.420 5.533 1.00 10.00 H new ATOM 0 HA THR A 48 -6.528 -0.812 6.595 1.00 10.00 H new ATOM 0 HB THR A 48 -5.311 -2.067 8.298 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.113 -4.491 7.825 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.967 -3.792 8.915 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.761 -2.308 8.337 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.640 -3.726 7.269 1.00 10.00 H new ATOM 795 N LYS A 49 -3.810 -0.974 6.542 1.00 10.00 N ATOM 796 CA LYS A 49 -2.473 -0.577 6.131 1.00 10.00 C ATOM 797 C LYS A 49 -1.703 -1.662 5.402 1.00 10.00 C ATOM 798 O LYS A 49 -0.624 -1.402 4.870 1.00 10.00 O ATOM 799 CB LYS A 49 -1.666 -0.096 7.335 1.00 10.00 C ATOM 800 CG LYS A 49 -1.935 -0.844 8.624 1.00 10.00 C ATOM 801 CD LYS A 49 -2.269 0.136 9.730 1.00 10.00 C ATOM 802 CE LYS A 49 -3.711 0.593 9.644 1.00 10.00 C ATOM 803 NZ LYS A 49 -3.997 1.726 10.564 1.00 10.00 N ATOM 0 H LYS A 49 -3.980 -0.872 7.543 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.614 0.236 5.418 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.605 -0.178 7.099 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.876 0.962 7.495 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.760 -1.542 8.484 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.062 -1.434 8.901 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.090 -0.331 10.699 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.607 1.000 9.666 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -3.935 0.893 8.620 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.370 -0.242 9.883 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.981 2.038 10.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.858 1.418 11.548 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -3.353 2.515 10.354 1.00 10.00 H new ATOM 817 N TYR A 50 -2.221 -2.876 5.374 1.00 10.00 N ATOM 818 CA TYR A 50 -1.528 -3.918 4.670 1.00 10.00 C ATOM 819 C TYR A 50 -1.808 -3.804 3.181 1.00 10.00 C ATOM 820 O TYR A 50 -0.976 -4.178 2.362 1.00 10.00 O ATOM 821 CB TYR A 50 -1.956 -5.278 5.159 1.00 10.00 C ATOM 822 CG TYR A 50 -1.455 -5.659 6.528 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.153 -6.097 6.709 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.309 -5.660 7.620 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.285 -6.540 7.936 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.873 -6.081 8.864 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.573 -6.530 9.012 1.00 10.00 C ATOM 828 OH TYR A 50 -0.144 -7.030 10.219 1.00 10.00 O ATOM 0 H TYR A 50 -3.096 -3.152 5.820 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.460 -3.804 4.856 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.045 -5.317 5.165 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.614 -6.027 4.444 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.530 -6.091 5.872 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.329 -5.327 7.498 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.298 -6.894 8.054 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.542 -6.059 9.712 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.864 -6.952 10.880 1.00 10.00 H new ATOM 838 N SER A 51 -2.986 -3.285 2.835 1.00 10.00 N ATOM 839 CA SER A 51 -3.349 -3.128 1.436 1.00 10.00 C ATOM 840 C SER A 51 -2.564 -1.976 0.816 1.00 10.00 C ATOM 841 O SER A 51 -1.855 -1.243 1.512 1.00 10.00 O ATOM 842 CB SER A 51 -4.852 -2.928 1.255 1.00 10.00 C ATOM 843 OG SER A 51 -5.365 -2.011 2.185 1.00 10.00 O ATOM 0 H SER A 51 -3.694 -2.971 3.499 1.00 10.00 H new ATOM 0 HA SER A 51 -3.088 -4.051 0.917 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.054 -2.574 0.244 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.363 -3.884 1.366 1.00 10.00 H new ATOM 0 HG SER A 51 -5.138 -2.303 3.092 1.00 10.00 H new ATOM 849 N SER A 52 -2.682 -1.819 -0.486 1.00 10.00 N ATOM 850 CA SER A 52 -1.941 -0.795 -1.180 1.00 10.00 C ATOM 851 C SER A 52 -2.846 0.344 -1.685 1.00 10.00 C ATOM 852 O SER A 52 -3.978 0.114 -2.115 1.00 10.00 O ATOM 853 CB SER A 52 -1.142 -1.456 -2.298 1.00 10.00 C ATOM 854 OG SER A 52 -1.783 -2.655 -2.767 1.00 10.00 O ATOM 0 H SER A 52 -3.284 -2.388 -1.081 1.00 10.00 H new ATOM 0 HA SER A 52 -1.251 -0.313 -0.488 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.026 -0.757 -3.126 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.141 -1.694 -1.939 1.00 10.00 H new ATOM 0 HG SER A 52 -1.247 -3.053 -3.484 1.00 10.00 H new ATOM 860 N ILE A 53 -2.307 1.571 -1.631 1.00 10.00 N ATOM 861 CA ILE A 53 -3.014 2.793 -2.012 1.00 10.00 C ATOM 862 C ILE A 53 -2.383 3.383 -3.284 1.00 10.00 C ATOM 863 O ILE A 53 -1.273 3.010 -3.627 1.00 10.00 O ATOM 864 CB ILE A 53 -2.954 3.827 -0.840 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.626 3.271 0.425 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.602 5.150 -1.216 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.777 2.282 1.205 1.00 10.00 C ATOM 0 H ILE A 53 -1.352 1.740 -1.316 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.059 2.559 -2.217 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.898 4.006 -0.637 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.885 4.103 1.079 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.560 2.785 0.142 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.538 5.839 -0.374 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.084 5.578 -2.074 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.649 4.983 -1.470 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.328 1.941 2.081 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.539 1.428 0.571 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.854 2.767 1.523 1.00 10.00 H new ATOM 879 N CYS A 54 -3.055 4.311 -3.969 1.00 10.00 N ATOM 880 CA CYS A 54 -2.511 4.870 -5.204 1.00 10.00 C ATOM 881 C CYS A 54 -2.134 6.364 -5.066 1.00 10.00 C ATOM 882 O CYS A 54 -2.621 7.068 -4.182 1.00 10.00 O ATOM 883 CB CYS A 54 -3.469 4.615 -6.368 1.00 10.00 C ATOM 884 SG CYS A 54 -4.976 5.584 -6.322 1.00 10.00 S ATOM 0 H CYS A 54 -3.963 4.685 -3.693 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.575 4.354 -5.419 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.948 4.823 -7.302 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.733 3.558 -6.379 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.946 4.855 -5.856 1.00 10.00 H new ATOM 889 N SER A 55 -1.248 6.799 -5.968 1.00 10.00 N ATOM 890 CA SER A 55 -0.646 8.150 -5.995 1.00 10.00 C ATOM 891 C SER A 55 -1.606 9.339 -5.902 1.00 10.00 C ATOM 892 O SER A 55 -1.436 10.189 -5.033 1.00 10.00 O ATOM 893 CB SER A 55 0.199 8.277 -7.264 1.00 10.00 C ATOM 894 OG SER A 55 -0.545 7.907 -8.407 1.00 10.00 O ATOM 0 H SER A 55 -0.914 6.206 -6.728 1.00 10.00 H new ATOM 0 HA SER A 55 -0.058 8.215 -5.079 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.550 9.304 -7.371 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.083 7.645 -7.181 1.00 10.00 H new ATOM 0 HG SER A 55 -1.000 8.695 -8.770 1.00 10.00 H new ATOM 900 N GLU A 56 -2.565 9.409 -6.815 1.00 10.00 N ATOM 901 CA GLU A 56 -3.552 10.504 -6.900 1.00 10.00 C ATOM 902 C GLU A 56 -4.136 10.965 -5.555 1.00 10.00 C ATOM 903 O GLU A 56 -4.686 12.058 -5.464 1.00 10.00 O ATOM 904 CB GLU A 56 -4.700 10.048 -7.796 1.00 10.00 C ATOM 905 CG GLU A 56 -4.986 8.563 -7.659 1.00 10.00 C ATOM 906 CD GLU A 56 -6.462 8.233 -7.652 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.220 8.874 -8.399 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.868 7.313 -6.894 1.00 10.00 O ATOM 0 H GLU A 56 -2.691 8.698 -7.536 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.014 11.363 -7.301 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.598 10.613 -7.547 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.459 10.275 -8.835 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.506 8.031 -8.481 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.535 8.197 -6.736 1.00 10.00 H new ATOM 915 N HIS A 57 -4.018 10.149 -4.526 1.00 10.00 N ATOM 916 CA HIS A 57 -4.578 10.486 -3.220 1.00 10.00 C ATOM 917 C HIS A 57 -3.699 11.421 -2.399 1.00 10.00 C ATOM 918 O HIS A 57 -4.188 12.064 -1.467 1.00 10.00 O ATOM 919 CB HIS A 57 -4.871 9.214 -2.441 1.00 10.00 C ATOM 920 CG HIS A 57 -5.933 8.397 -3.089 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.197 8.868 -3.365 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.887 7.131 -3.570 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.867 7.898 -3.993 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.112 6.816 -4.147 1.00 10.00 N ATOM 0 H HIS A 57 -3.541 9.248 -4.563 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.502 11.032 -3.409 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.959 8.623 -2.356 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.179 9.472 -1.428 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.034 6.471 -3.514 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.889 7.982 -4.331 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.376 5.938 -4.595 1.00 10.00 H new ATOM 932 N PHE A 58 -2.421 11.522 -2.728 1.00 10.00 N ATOM 933 CA PHE A 58 -1.531 12.399 -1.980 1.00 10.00 C ATOM 934 C PHE A 58 -0.771 13.303 -2.917 1.00 10.00 C ATOM 935 O PHE A 58 -0.816 13.143 -4.139 1.00 10.00 O ATOM 936 CB PHE A 58 -0.517 11.619 -1.125 1.00 10.00 C ATOM 937 CG PHE A 58 -0.592 10.137 -1.272 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.094 9.522 -2.291 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.336 9.360 -0.396 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.048 8.164 -2.448 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.387 7.991 -0.548 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.694 7.391 -1.578 1.00 10.00 C ATOM 0 H PHE A 58 -1.980 11.016 -3.496 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.165 12.984 -1.314 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.489 11.947 -1.388 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.672 11.875 -0.077 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.677 10.118 -2.977 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.879 9.831 0.410 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.593 7.696 -3.254 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.967 7.391 0.137 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.732 6.319 -1.704 1.00 10.00 H new ATOM 952 N THR A 59 -0.086 14.256 -2.333 1.00 10.00 N ATOM 953 CA THR A 59 0.723 15.173 -3.082 1.00 10.00 C ATOM 954 C THR A 59 2.023 14.505 -3.448 1.00 10.00 C ATOM 955 O THR A 59 2.533 13.683 -2.689 1.00 10.00 O ATOM 956 CB THR A 59 0.996 16.439 -2.264 1.00 10.00 C ATOM 957 OG1 THR A 59 1.094 16.117 -0.869 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.120 17.436 -2.480 1.00 10.00 C ATOM 0 H THR A 59 -0.077 14.414 -1.325 1.00 10.00 H new ATOM 0 HA THR A 59 0.191 15.459 -3.989 1.00 10.00 H new ATOM 0 HB THR A 59 1.940 16.875 -2.593 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.270 16.933 -0.356 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.078 18.335 -1.897 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.177 17.695 -3.537 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.066 16.998 -2.162 1.00 10.00 H new ATOM 966 N PRO A 60 2.550 14.819 -4.630 1.00 10.00 N ATOM 967 CA PRO A 60 3.813 14.270 -5.123 1.00 10.00 C ATOM 968 C PRO A 60 4.903 14.332 -4.072 1.00 10.00 C ATOM 969 O PRO A 60 5.733 13.434 -3.953 1.00 10.00 O ATOM 970 CB PRO A 60 4.156 15.195 -6.303 1.00 10.00 C ATOM 971 CG PRO A 60 3.174 16.321 -6.224 1.00 10.00 C ATOM 972 CD PRO A 60 1.956 15.734 -5.602 1.00 10.00 C ATOM 0 HA PRO A 60 3.731 13.218 -5.395 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.180 15.561 -6.230 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.073 14.667 -7.253 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.565 17.143 -5.625 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.956 16.723 -7.213 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.331 16.490 -5.127 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.332 15.214 -6.329 1.00 10.00 H new ATOM 980 N ASP A 61 4.863 15.389 -3.286 1.00 10.00 N ATOM 981 CA ASP A 61 5.845 15.584 -2.225 1.00 10.00 C ATOM 982 C ASP A 61 5.760 14.459 -1.210 1.00 10.00 C ATOM 983 O ASP A 61 6.772 13.943 -0.749 1.00 10.00 O ATOM 984 CB ASP A 61 5.601 16.897 -1.494 1.00 10.00 C ATOM 985 CG ASP A 61 5.419 18.063 -2.436 1.00 10.00 C ATOM 986 OD1 ASP A 61 6.436 18.645 -2.872 1.00 10.00 O ATOM 987 OD2 ASP A 61 4.259 18.401 -2.741 1.00 10.00 O ATOM 0 H ASP A 61 4.164 16.128 -3.357 1.00 10.00 H new ATOM 0 HA ASP A 61 6.830 15.598 -2.692 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.715 16.800 -0.867 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.441 17.100 -0.829 1.00 10.00 H new ATOM 992 N SER A 62 4.537 14.072 -0.891 1.00 10.00 N ATOM 993 CA SER A 62 4.295 13.031 0.091 1.00 10.00 C ATOM 994 C SER A 62 4.193 11.669 -0.553 1.00 10.00 C ATOM 995 O SER A 62 3.930 10.698 0.130 1.00 10.00 O ATOM 996 CB SER A 62 3.003 13.297 0.843 1.00 10.00 C ATOM 997 OG SER A 62 3.135 12.935 2.207 1.00 10.00 O ATOM 0 H SER A 62 3.691 14.467 -1.302 1.00 10.00 H new ATOM 0 HA SER A 62 5.143 13.042 0.776 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.741 14.352 0.765 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.189 12.732 0.389 1.00 10.00 H new ATOM 0 HG SER A 62 2.283 12.578 2.535 1.00 10.00 H new ATOM 1003 N PHE A 63 4.367 11.620 -1.865 1.00 10.00 N ATOM 1004 CA PHE A 63 4.257 10.366 -2.625 1.00 10.00 C ATOM 1005 C PHE A 63 4.806 9.137 -1.883 1.00 10.00 C ATOM 1006 O PHE A 63 4.070 8.172 -1.671 1.00 10.00 O ATOM 1007 CB PHE A 63 4.939 10.464 -3.985 1.00 10.00 C ATOM 1008 CG PHE A 63 4.022 10.804 -5.133 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.654 10.575 -5.058 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.535 11.349 -6.297 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.826 10.886 -6.111 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.707 11.662 -7.358 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.350 11.431 -7.265 1.00 10.00 C ATOM 0 H PHE A 63 4.587 12.436 -2.437 1.00 10.00 H new ATOM 0 HA PHE A 63 3.184 10.223 -2.756 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.722 11.220 -3.929 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.428 9.514 -4.199 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.235 10.147 -4.160 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.596 11.532 -6.377 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.764 10.703 -6.035 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.122 12.087 -8.260 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.700 11.676 -8.092 1.00 10.00 H new ATOM 1023 N LYS A 64 6.089 9.165 -1.496 1.00 10.00 N ATOM 1024 CA LYS A 64 6.704 8.024 -0.799 1.00 10.00 C ATOM 1025 C LYS A 64 8.138 8.334 -0.361 1.00 10.00 C ATOM 1026 O LYS A 64 8.396 9.380 0.225 1.00 10.00 O ATOM 1027 CB LYS A 64 6.680 6.774 -1.689 1.00 10.00 C ATOM 1028 CG LYS A 64 7.164 7.014 -3.110 1.00 10.00 C ATOM 1029 CD LYS A 64 7.225 5.722 -3.898 1.00 10.00 C ATOM 1030 CE LYS A 64 7.233 5.992 -5.390 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.461 4.752 -6.175 1.00 10.00 N ATOM 0 H LYS A 64 6.716 9.955 -1.651 1.00 10.00 H new ATOM 0 HA LYS A 64 6.116 7.833 0.099 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.300 6.003 -1.231 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.662 6.386 -1.724 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.496 7.716 -3.610 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.151 7.475 -3.087 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.121 5.166 -3.621 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.370 5.096 -3.643 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.283 6.438 -5.683 1.00 10.00 H new ATOM 0 HE3 LYS A 64 8.012 6.718 -5.624 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.460 4.979 -7.190 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.379 4.340 -5.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.704 4.068 -5.972 1.00 10.00 H new ATOM 1045 N ARG A 65 9.069 7.425 -0.663 1.00 10.00 N ATOM 1046 CA ARG A 65 10.478 7.589 -0.297 1.00 10.00 C ATOM 1047 C ARG A 65 11.116 8.783 -1.006 1.00 10.00 C ATOM 1048 O ARG A 65 12.215 9.206 -0.654 1.00 10.00 O ATOM 1049 CB ARG A 65 11.272 6.305 -0.590 1.00 10.00 C ATOM 1050 CG ARG A 65 10.909 5.622 -1.900 1.00 10.00 C ATOM 1051 CD ARG A 65 11.164 4.122 -1.838 1.00 10.00 C ATOM 1052 NE ARG A 65 12.536 3.774 -2.228 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.139 2.624 -1.914 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.510 1.725 -1.165 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.376 2.378 -2.347 1.00 10.00 N ATOM 0 H ARG A 65 8.869 6.560 -1.165 1.00 10.00 H new ATOM 0 HA ARG A 65 10.511 7.785 0.775 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.335 6.546 -0.603 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.115 5.601 0.227 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.859 5.804 -2.127 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.491 6.058 -2.712 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.975 3.765 -0.826 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.461 3.609 -2.494 1.00 10.00 H new ATOM 0 HE ARG A 65 13.063 4.455 -2.775 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.565 1.912 -0.829 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.972 0.847 -0.926 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.863 3.068 -2.919 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.835 1.500 -2.107 1.00 10.00 H new ATOM 1069 N GLU A 66 10.413 9.328 -1.993 1.00 10.00 N ATOM 1070 CA GLU A 66 10.888 10.487 -2.733 1.00 10.00 C ATOM 1071 C GLU A 66 10.482 11.769 -2.006 1.00 10.00 C ATOM 1072 O GLU A 66 10.661 12.873 -2.520 1.00 10.00 O ATOM 1073 CB GLU A 66 10.350 10.477 -4.174 1.00 10.00 C ATOM 1074 CG GLU A 66 11.244 9.731 -5.147 1.00 10.00 C ATOM 1075 CD GLU A 66 11.259 8.238 -4.903 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.179 7.610 -4.961 1.00 10.00 O ATOM 1077 OE2 GLU A 66 12.349 7.680 -4.674 1.00 10.00 O ATOM 0 H GLU A 66 9.504 8.980 -2.300 1.00 10.00 H new ATOM 0 HA GLU A 66 11.976 10.446 -2.788 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.359 10.022 -4.181 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.231 11.505 -4.517 1.00 10.00 H new ATOM 0 HG2 GLU A 66 10.906 9.925 -6.165 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.260 10.117 -5.069 1.00 10.00 H new ATOM 1084 N SER A 67 9.906 11.604 -0.814 1.00 10.00 N ATOM 1085 CA SER A 67 9.461 12.726 -0.005 1.00 10.00 C ATOM 1086 C SER A 67 10.650 13.516 0.557 1.00 10.00 C ATOM 1087 O SER A 67 11.249 14.342 -0.139 1.00 10.00 O ATOM 1088 CB SER A 67 8.544 12.195 1.112 1.00 10.00 C ATOM 1089 OG SER A 67 8.412 13.095 2.197 1.00 10.00 O ATOM 0 H SER A 67 9.738 10.692 -0.389 1.00 10.00 H new ATOM 0 HA SER A 67 8.898 13.424 -0.625 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.558 11.989 0.697 1.00 10.00 H new ATOM 0 HB3 SER A 67 8.940 11.248 1.479 1.00 10.00 H new ATOM 0 HG SER A 67 8.579 12.620 3.038 1.00 10.00 H new ATOM 1095 N ASN A 68 10.977 13.272 1.816 1.00 10.00 N ATOM 1096 CA ASN A 68 12.079 13.954 2.473 1.00 10.00 C ATOM 1097 C ASN A 68 13.313 13.067 2.542 1.00 10.00 C ATOM 1098 O ASN A 68 14.287 13.273 1.816 1.00 10.00 O ATOM 1099 CB ASN A 68 11.667 14.389 3.884 1.00 10.00 C ATOM 1100 CG ASN A 68 11.252 15.846 3.954 1.00 10.00 C ATOM 1101 OD1 ASN A 68 10.070 16.173 3.877 1.00 10.00 O ATOM 1102 ND2 ASN A 68 12.226 16.730 4.103 1.00 10.00 N ATOM 0 H ASN A 68 10.489 12.600 2.408 1.00 10.00 H new ATOM 0 HA ASN A 68 12.327 14.837 1.883 1.00 10.00 H new ATOM 0 HB2 ASN A 68 10.841 13.764 4.225 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.498 14.220 4.568 1.00 10.00 H new ATOM 0 HD21 ASN A 68 12.008 17.725 4.158 1.00 10.00 H new ATOM 0 HD22 ASN A 68 13.195 16.416 4.163 1.00 10.00 H new ATOM 1109 N ASN A 69 13.263 12.068 3.410 1.00 10.00 N ATOM 1110 CA ASN A 69 14.391 11.166 3.588 1.00 10.00 C ATOM 1111 C ASN A 69 14.130 9.819 2.935 1.00 10.00 C ATOM 1112 O ASN A 69 14.739 9.488 1.920 1.00 10.00 O ATOM 1113 CB ASN A 69 14.700 10.988 5.081 1.00 10.00 C ATOM 1114 CG ASN A 69 15.830 10.007 5.338 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.991 10.287 5.046 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.500 8.857 5.912 1.00 10.00 N ATOM 0 H ASN A 69 12.457 11.862 4.000 1.00 10.00 H new ATOM 0 HA ASN A 69 15.258 11.611 3.099 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.961 11.955 5.511 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.802 10.643 5.594 1.00 10.00 H new ATOM 0 HD21 ASN A 69 16.221 8.168 6.126 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.525 8.662 6.139 1.00 10.00 H new ATOM 1123 N LYS A 70 13.223 9.039 3.507 1.00 10.00 N ATOM 1124 CA LYS A 70 12.926 7.726 2.955 1.00 10.00 C ATOM 1125 C LYS A 70 11.432 7.413 3.008 1.00 10.00 C ATOM 1126 O LYS A 70 11.005 6.347 2.574 1.00 10.00 O ATOM 1127 CB LYS A 70 13.734 6.658 3.705 1.00 10.00 C ATOM 1128 CG LYS A 70 14.189 5.481 2.842 1.00 10.00 C ATOM 1129 CD LYS A 70 15.022 5.923 1.640 1.00 10.00 C ATOM 1130 CE LYS A 70 16.330 6.590 2.051 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.083 7.106 0.873 1.00 10.00 N ATOM 0 H LYS A 70 12.688 9.287 4.339 1.00 10.00 H new ATOM 0 HA LYS A 70 13.214 7.724 1.904 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.612 7.129 4.146 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.130 6.276 4.528 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.774 4.793 3.452 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.315 4.932 2.492 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.240 5.057 1.015 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.439 6.616 1.033 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.119 7.411 2.736 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.948 5.874 2.592 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 17.966 7.552 1.194 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.306 6.318 0.232 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 16.503 7.808 0.371 1.00 10.00 H new ATOM 1145 N LEU A 71 10.633 8.342 3.519 1.00 10.00 N ATOM 1146 CA LEU A 71 9.196 8.127 3.606 1.00 10.00 C ATOM 1147 C LEU A 71 8.437 9.442 3.461 1.00 10.00 C ATOM 1148 O LEU A 71 9.046 10.513 3.445 1.00 10.00 O ATOM 1149 CB LEU A 71 8.838 7.458 4.935 1.00 10.00 C ATOM 1150 CG LEU A 71 7.936 6.218 4.844 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.713 6.403 5.724 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.518 5.928 3.406 1.00 10.00 C ATOM 0 H LEU A 71 10.953 9.243 3.876 1.00 10.00 H new ATOM 0 HA LEU A 71 8.903 7.470 2.787 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.763 7.174 5.437 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.345 8.195 5.569 1.00 10.00 H new ATOM 0 HG LEU A 71 8.508 5.360 5.197 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.078 5.520 5.655 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.027 6.544 6.758 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.155 7.278 5.392 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.881 5.044 3.384 1.00 10.00 H new ATOM 0 HD22 LEU A 71 6.969 6.781 3.008 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.405 5.752 2.798 1.00 10.00 H new ATOM 1164 N LEU A 72 7.107 9.345 3.370 1.00 10.00 N ATOM 1165 CA LEU A 72 6.240 10.518 3.209 1.00 10.00 C ATOM 1166 C LEU A 72 6.386 11.492 4.367 1.00 10.00 C ATOM 1167 O LEU A 72 6.945 11.156 5.414 1.00 10.00 O ATOM 1168 CB LEU A 72 4.758 10.124 3.129 1.00 10.00 C ATOM 1169 CG LEU A 72 4.454 8.642 2.877 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.081 7.955 4.169 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.326 8.485 1.871 1.00 10.00 C ATOM 0 H LEU A 72 6.603 8.459 3.405 1.00 10.00 H new ATOM 0 HA LEU A 72 6.556 10.990 2.278 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.277 10.417 4.062 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.293 10.707 2.334 1.00 10.00 H new ATOM 0 HG LEU A 72 5.353 8.178 2.470 1.00 10.00 H new ATOM 0 HD11 LEU A 72 3.868 6.904 3.974 1.00 10.00 H new ATOM 0 HD12 LEU A 72 4.908 8.033 4.874 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.197 8.432 4.593 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.128 7.425 1.708 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.427 8.967 2.254 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.613 8.950 0.928 1.00 10.00 H new ATOM 1183 N LYS A 73 5.857 12.696 4.181 1.00 10.00 N ATOM 1184 CA LYS A 73 5.903 13.704 5.221 1.00 10.00 C ATOM 1185 C LYS A 73 4.897 13.345 6.298 1.00 10.00 C ATOM 1186 O LYS A 73 3.709 13.179 6.030 1.00 10.00 O ATOM 1187 CB LYS A 73 5.627 15.130 4.702 1.00 10.00 C ATOM 1188 CG LYS A 73 5.061 15.220 3.292 1.00 10.00 C ATOM 1189 CD LYS A 73 6.124 15.042 2.216 1.00 10.00 C ATOM 1190 CE LYS A 73 7.271 16.032 2.346 1.00 10.00 C ATOM 1191 NZ LYS A 73 6.804 17.443 2.311 1.00 10.00 N ATOM 0 H LYS A 73 5.394 12.992 3.322 1.00 10.00 H new ATOM 0 HA LYS A 73 6.917 13.713 5.620 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.931 15.617 5.385 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.558 15.696 4.737 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.291 14.459 3.165 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.577 16.188 3.161 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.519 14.027 2.267 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.663 15.155 1.235 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.801 15.850 3.281 1.00 10.00 H new ATOM 0 HE3 LYS A 73 7.984 15.867 1.538 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.625 18.081 2.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 6.248 17.603 1.447 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.211 17.633 3.144 1.00 10.00 H new ATOM 1205 N GLU A 74 5.409 13.183 7.499 1.00 10.00 N ATOM 1206 CA GLU A 74 4.616 12.843 8.682 1.00 10.00 C ATOM 1207 C GLU A 74 3.418 13.774 8.875 1.00 10.00 C ATOM 1208 O GLU A 74 2.481 13.457 9.603 1.00 10.00 O ATOM 1209 CB GLU A 74 5.491 12.915 9.932 1.00 10.00 C ATOM 1210 CG GLU A 74 5.879 14.330 10.326 1.00 10.00 C ATOM 1211 CD GLU A 74 6.999 14.890 9.476 1.00 10.00 C ATOM 1212 OE1 GLU A 74 8.171 14.525 9.711 1.00 10.00 O ATOM 1213 OE2 GLU A 74 6.714 15.689 8.561 1.00 10.00 O ATOM 0 H GLU A 74 6.405 13.284 7.694 1.00 10.00 H new ATOM 0 HA GLU A 74 4.239 11.832 8.527 1.00 10.00 H new ATOM 0 HB2 GLU A 74 4.961 12.448 10.763 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.397 12.333 9.764 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.006 14.978 10.242 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.184 14.340 11.373 1.00 10.00 H new ATOM 1220 N ASN A 75 3.477 14.934 8.255 1.00 10.00 N ATOM 1221 CA ASN A 75 2.403 15.913 8.364 1.00 10.00 C ATOM 1222 C ASN A 75 1.513 15.931 7.133 1.00 10.00 C ATOM 1223 O ASN A 75 0.727 16.859 6.938 1.00 10.00 O ATOM 1224 CB ASN A 75 2.986 17.303 8.590 1.00 10.00 C ATOM 1225 CG ASN A 75 2.793 17.778 10.012 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.724 16.839 10.937 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 2.704 18.975 10.278 1.00 10.00 N flip ATOM 0 H ASN A 75 4.257 15.227 7.667 1.00 10.00 H new ATOM 0 HA ASN A 75 1.787 15.622 9.215 1.00 10.00 H new ATOM 0 HB2 ASN A 75 4.050 17.292 8.354 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.515 18.009 7.906 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.763 19.669 9.533 1.00 10.00 H new ATOM 0 HD22 ASN A 75 2.572 19.274 11.244 1.00 10.00 H new ATOM 1234 N ALA A 76 1.630 14.913 6.305 1.00 10.00 N ATOM 1235 CA ALA A 76 0.824 14.833 5.092 1.00 10.00 C ATOM 1236 C ALA A 76 -0.001 13.552 5.028 1.00 10.00 C ATOM 1237 O ALA A 76 0.519 12.442 5.164 1.00 10.00 O ATOM 1238 CB ALA A 76 1.706 14.962 3.857 1.00 10.00 C ATOM 0 H ALA A 76 2.270 14.131 6.444 1.00 10.00 H new ATOM 0 HA ALA A 76 0.121 15.666 5.117 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.089 14.900 2.961 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.222 15.922 3.877 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.440 14.156 3.848 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.297 13.728 4.814 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.230 12.617 4.716 1.00 10.00 C ATOM 1246 C VAL A 77 -3.124 12.805 3.481 1.00 10.00 C ATOM 1247 O VAL A 77 -3.555 13.923 3.188 1.00 10.00 O ATOM 1248 CB VAL A 77 -3.079 12.477 6.017 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.510 13.830 6.559 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.299 11.589 5.809 1.00 10.00 C ATOM 0 H VAL A 77 -1.730 14.645 4.704 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.667 11.691 4.603 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.431 12.001 6.753 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -4.099 13.688 7.465 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.628 14.427 6.789 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -4.113 14.346 5.812 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.861 11.519 6.740 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.933 12.018 5.033 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.977 10.593 5.504 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.365 11.717 2.721 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.182 11.720 1.496 1.00 10.00 C ATOM 1262 C PRO A 78 -5.538 12.406 1.657 1.00 10.00 C ATOM 1263 O PRO A 78 -6.491 11.827 2.173 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.377 10.226 1.184 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.877 9.491 2.372 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.849 10.380 2.999 1.00 10.00 C ATOM 0 HA PRO A 78 -3.688 12.284 0.705 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.427 10.000 0.999 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.827 9.940 0.288 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.687 9.278 3.069 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.443 8.533 2.085 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.755 10.197 4.069 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.862 10.228 2.562 1.00 10.00 H new ATOM 1274 N THR A 79 -5.609 13.638 1.182 1.00 10.00 N ATOM 1275 CA THR A 79 -6.828 14.432 1.253 1.00 10.00 C ATOM 1276 C THR A 79 -7.556 14.420 -0.085 1.00 10.00 C ATOM 1277 O THR A 79 -8.736 14.750 -0.174 1.00 10.00 O ATOM 1278 CB THR A 79 -6.502 15.888 1.643 1.00 10.00 C ATOM 1279 OG1 THR A 79 -7.706 16.652 1.820 1.00 10.00 O ATOM 1280 CG2 THR A 79 -5.621 16.555 0.592 1.00 10.00 C ATOM 0 H THR A 79 -4.826 14.117 0.737 1.00 10.00 H new ATOM 0 HA THR A 79 -7.472 13.991 2.014 1.00 10.00 H new ATOM 0 HB THR A 79 -5.958 15.859 2.587 1.00 10.00 H new ATOM 0 HG1 THR A 79 -8.443 16.216 1.343 1.00 10.00 H new ATOM 0 HG21 THR A 79 -5.408 17.580 0.894 1.00 10.00 H new ATOM 0 HG22 THR A 79 -4.686 16.003 0.497 1.00 10.00 H new ATOM 0 HG23 THR A 79 -6.139 16.559 -0.367 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.833 14.008 -1.113 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.357 13.956 -2.476 1.00 10.00 C ATOM 1290 C ILE A 80 -8.288 12.748 -2.675 1.00 10.00 C ATOM 1291 O ILE A 80 -8.710 12.457 -3.792 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.216 13.903 -3.520 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.965 14.650 -3.011 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.691 14.471 -4.855 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.821 16.076 -3.506 1.00 10.00 C ATOM 0 H ILE A 80 -5.864 13.699 -1.030 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.930 14.871 -2.626 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.937 12.860 -3.672 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.986 14.661 -1.921 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.080 14.088 -3.308 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.878 14.427 -5.579 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.534 13.885 -5.220 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.001 15.507 -4.720 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.912 16.514 -3.093 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.763 16.079 -4.594 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.684 16.661 -3.187 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.569 12.035 -1.584 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.433 10.851 -1.606 1.00 10.00 C ATOM 1309 C PHE A 81 -10.711 11.065 -2.409 1.00 10.00 C ATOM 1310 O PHE A 81 -10.949 10.358 -3.384 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.816 10.434 -0.181 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.836 9.510 0.499 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.694 9.061 -0.149 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.074 9.078 1.791 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.816 8.205 0.482 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.195 8.221 2.424 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.065 7.784 1.768 1.00 10.00 C ATOM 0 H PHE A 81 -8.204 12.261 -0.659 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.854 10.065 -2.091 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.927 11.332 0.427 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.791 9.947 -0.211 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.491 9.386 -1.159 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.958 9.415 2.312 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.931 7.864 -0.035 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.394 7.893 3.434 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.377 7.113 2.261 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.517 12.038 -2.002 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.786 12.315 -2.668 1.00 10.00 C ATOM 1329 C LEU A 82 -13.361 13.637 -2.180 1.00 10.00 C ATOM 1330 O LEU A 82 -12.987 14.125 -1.110 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.788 11.195 -2.357 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.398 10.433 -3.552 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.877 10.758 -3.690 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.668 10.726 -4.857 1.00 10.00 C ATOM 0 H LEU A 82 -11.315 12.651 -1.212 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.609 12.371 -3.742 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.292 10.469 -1.713 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.606 11.626 -1.780 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.282 9.369 -3.348 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.292 10.212 -4.538 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.400 10.466 -2.779 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -16.001 11.829 -3.852 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -14.134 10.167 -5.668 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.723 11.793 -5.073 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.624 10.428 -4.764 1.00 10.00 H new