USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1101 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 57 THR OG1 : rot -150:sc= -0.362 USER MOD Set 1.2: B 3 MET CE :methyl -168:sc= -0.13 (180deg=-0.432) USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0.983 (180deg=0.932) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0.685 (180deg=0.6) USER MOD Single : A 14 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.31) USER MOD Single : A 20 ASN : amide:sc=-0.00717 X(o=-0.0072,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 27 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.3) USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= -1.18 (180deg=-3.1!) USER MOD Single : A 29 GLN : amide:sc= -0.643 K(o=-0.64,f=-5.1!) USER MOD Single : A 31 LYS NZ :NH3+ -136:sc= 0.417 (180deg=-1.41!) USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00823) USER MOD Single : A 34 THR OG1 : rot -70:sc= -0.49! USER MOD Single : A 35 LYS NZ :NH3+ 174:sc=-0.00301 (180deg=-0.0684) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -1.13 (180deg=-2.54!) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0.805 (180deg=0.365) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0.203 (180deg=0.168) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -118:sc= -0.0772 (180deg=-1.43!) USER MOD Single : B 5 LYS NZ :NH3+ -140:sc= 0.663 (180deg=0.0861) USER MOD Single : B 7 LYS NZ :NH3+ -157:sc= 0.495 (180deg=-0.0471) USER MOD Single : B 14 GLN : amide:sc= -0.109 K(o=-0.11,f=-4.3!) USER MOD Single : B 20 ASN : amide:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : B 22 THR OG1 : rot 146:sc= 0.0709 USER MOD Single : B 26 THR OG1 : rot 180:sc= -1.14 USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : B 28 LYS NZ :NH3+ -151:sc= 0.825 (180deg=0.299) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 31 LYS NZ :NH3+ 168:sc= 0.773 (180deg=0.669) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -78:sc= 0.59 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ -174:sc= 0.829 (180deg=0.714) USER MOD Single : B 54 LYS NZ :NH3+ -150:sc= 1.03 (180deg=0.464) USER MOD Single : B 57 THR OG1 : rot -110:sc= -0.246 USER MOD Single : B 58 SER OG : rot 180:sc= -0.0186 USER MOD Single : B 67 LYS NZ :NH3+ -152:sc= -2.22! (180deg=-3.62!) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 4 4.703 12.024 2.217 1.00 4.24 N ATOM 60 CA LEU A 4 3.822 10.928 2.688 1.00 31.00 C ATOM 61 C LEU A 4 4.516 9.538 2.569 1.00 65.55 C ATOM 62 O LEU A 4 4.034 8.548 3.120 1.00 12.31 O ATOM 63 CB LEU A 4 2.477 10.957 1.919 1.00 31.51 C ATOM 64 CG LEU A 4 1.659 12.293 2.026 1.00 43.42 C ATOM 65 CD1 LEU A 4 0.389 12.248 1.143 1.00 55.03 C ATOM 66 CD2 LEU A 4 1.305 12.627 3.498 1.00 61.21 C ATOM 0 HA LEU A 4 3.618 11.088 3.747 1.00 31.00 H new ATOM 0 HB2 LEU A 4 2.677 10.759 0.866 1.00 31.51 H new ATOM 0 HB3 LEU A 4 1.854 10.141 2.284 1.00 31.51 H new ATOM 0 HG LEU A 4 2.296 13.094 1.651 1.00 43.42 H new ATOM 0 HD11 LEU A 4 -0.155 13.188 1.240 1.00 55.03 H new ATOM 0 HD12 LEU A 4 0.675 12.100 0.102 1.00 55.03 H new ATOM 0 HD13 LEU A 4 -0.249 11.425 1.465 1.00 55.03 H new ATOM 0 HD21 LEU A 4 0.739 13.558 3.534 1.00 61.21 H new ATOM 0 HD22 LEU A 4 0.705 11.821 3.920 1.00 61.21 H new ATOM 0 HD23 LEU A 4 2.222 12.737 4.077 1.00 61.21 H new ATOM 78 N LYS A 5 5.648 9.483 1.839 1.00 60.20 N ATOM 79 CA LYS A 5 6.502 8.278 1.772 1.00 74.10 C ATOM 80 C LYS A 5 7.238 8.043 3.130 1.00 43.33 C ATOM 81 O LYS A 5 7.520 6.901 3.509 1.00 34.21 O ATOM 82 CB LYS A 5 7.542 8.412 0.618 1.00 62.43 C ATOM 83 CG LYS A 5 8.140 7.060 0.150 1.00 21.35 C ATOM 84 CD LYS A 5 9.494 7.182 -0.590 1.00 15.54 C ATOM 85 CE LYS A 5 9.427 8.043 -1.851 1.00 13.05 C ATOM 86 NZ LYS A 5 10.757 8.172 -2.511 1.00 52.11 N ATOM 0 H LYS A 5 5.995 10.265 1.283 1.00 60.20 H new ATOM 0 HA LYS A 5 5.861 7.419 1.572 1.00 74.10 H new ATOM 0 HB2 LYS A 5 7.066 8.901 -0.232 1.00 62.43 H new ATOM 0 HB3 LYS A 5 8.353 9.062 0.947 1.00 62.43 H new ATOM 0 HG2 LYS A 5 8.271 6.415 1.019 1.00 21.35 H new ATOM 0 HG3 LYS A 5 7.423 6.568 -0.508 1.00 21.35 H new ATOM 0 HD2 LYS A 5 10.233 7.605 0.090 1.00 15.54 H new ATOM 0 HD3 LYS A 5 9.843 6.185 -0.859 1.00 15.54 H new ATOM 0 HE2 LYS A 5 8.716 7.605 -2.551 1.00 13.05 H new ATOM 0 HE3 LYS A 5 9.052 9.034 -1.594 1.00 13.05 H new ATOM 0 HZ1 LYS A 5 10.644 8.647 -3.429 1.00 52.11 H new ATOM 0 HZ2 LYS A 5 11.391 8.733 -1.907 1.00 52.11 H new ATOM 0 HZ3 LYS A 5 11.165 7.227 -2.658 1.00 52.11 H new ATOM 100 N GLU A 6 7.535 9.148 3.851 1.00 65.34 N ATOM 101 CA GLU A 6 8.223 9.101 5.166 1.00 3.23 C ATOM 102 C GLU A 6 7.351 8.453 6.265 1.00 23.24 C ATOM 103 O GLU A 6 7.852 7.638 7.048 1.00 23.31 O ATOM 104 CB GLU A 6 8.668 10.519 5.607 1.00 52.32 C ATOM 105 CG GLU A 6 9.754 11.151 4.716 1.00 24.12 C ATOM 106 CD GLU A 6 11.079 10.364 4.707 1.00 13.10 C ATOM 107 OE1 GLU A 6 11.822 10.412 5.713 1.00 74.11 O ATOM 108 OE2 GLU A 6 11.389 9.701 3.692 1.00 13.34 O ATOM 0 H GLU A 6 7.307 10.093 3.542 1.00 65.34 H new ATOM 0 HA GLU A 6 9.105 8.474 5.035 1.00 3.23 H new ATOM 0 HB2 GLU A 6 7.796 11.174 5.616 1.00 52.32 H new ATOM 0 HB3 GLU A 6 9.039 10.468 6.631 1.00 52.32 H new ATOM 0 HG2 GLU A 6 9.378 11.225 3.696 1.00 24.12 H new ATOM 0 HG3 GLU A 6 9.947 12.168 5.059 1.00 24.12 H new ATOM 115 N LYS A 7 6.051 8.822 6.333 1.00 74.30 N ATOM 116 CA LYS A 7 5.116 8.200 7.304 1.00 52.25 C ATOM 117 C LYS A 7 4.840 6.718 6.957 1.00 52.42 C ATOM 118 O LYS A 7 4.580 5.918 7.848 1.00 24.11 O ATOM 119 CB LYS A 7 3.802 9.037 7.483 1.00 53.14 C ATOM 120 CG LYS A 7 2.977 9.381 6.206 1.00 32.14 C ATOM 121 CD LYS A 7 2.119 8.217 5.635 1.00 24.34 C ATOM 122 CE LYS A 7 1.133 7.611 6.651 1.00 53.54 C ATOM 123 NZ LYS A 7 0.169 8.606 7.189 1.00 62.34 N ATOM 0 H LYS A 7 5.629 9.535 5.738 1.00 74.30 H new ATOM 0 HA LYS A 7 5.608 8.207 8.277 1.00 52.25 H new ATOM 0 HB2 LYS A 7 3.150 8.493 8.166 1.00 53.14 H new ATOM 0 HB3 LYS A 7 4.067 9.974 7.973 1.00 53.14 H new ATOM 0 HG2 LYS A 7 2.318 10.218 6.434 1.00 32.14 H new ATOM 0 HG3 LYS A 7 3.664 9.719 5.430 1.00 32.14 H new ATOM 0 HD2 LYS A 7 1.559 8.580 4.773 1.00 24.34 H new ATOM 0 HD3 LYS A 7 2.784 7.431 5.276 1.00 24.34 H new ATOM 0 HE2 LYS A 7 0.582 6.800 6.175 1.00 53.54 H new ATOM 0 HE3 LYS A 7 1.694 7.173 7.477 1.00 53.54 H new ATOM 0 HZ1 LYS A 7 -0.579 8.114 7.718 1.00 62.34 H new ATOM 0 HZ2 LYS A 7 0.666 9.263 7.824 1.00 62.34 H new ATOM 0 HZ3 LYS A 7 -0.255 9.138 6.403 1.00 62.34 H new ATOM 137 N ALA A 8 4.933 6.366 5.661 1.00 42.51 N ATOM 138 CA ALA A 8 4.820 4.962 5.197 1.00 64.12 C ATOM 139 C ALA A 8 5.944 4.082 5.802 1.00 13.22 C ATOM 140 O ALA A 8 5.697 2.960 6.252 1.00 31.34 O ATOM 141 CB ALA A 8 4.857 4.913 3.661 1.00 11.14 C ATOM 0 H ALA A 8 5.087 7.037 4.908 1.00 42.51 H new ATOM 0 HA ALA A 8 3.866 4.561 5.539 1.00 64.12 H new ATOM 0 HB1 ALA A 8 4.774 3.879 3.328 1.00 11.14 H new ATOM 0 HB2 ALA A 8 4.026 5.492 3.258 1.00 11.14 H new ATOM 0 HB3 ALA A 8 5.798 5.334 3.306 1.00 11.14 H new ATOM 147 N GLY A 9 7.171 4.639 5.827 1.00 34.43 N ATOM 148 CA GLY A 9 8.340 3.973 6.425 1.00 32.22 C ATOM 149 C GLY A 9 8.330 3.953 7.961 1.00 33.13 C ATOM 150 O GLY A 9 8.723 2.957 8.582 1.00 13.43 O ATOM 0 H GLY A 9 7.377 5.558 5.435 1.00 34.43 H new ATOM 0 HA2 GLY A 9 8.388 2.947 6.059 1.00 32.22 H new ATOM 0 HA3 GLY A 9 9.245 4.476 6.084 1.00 32.22 H new ATOM 154 N ALA A 10 7.875 5.066 8.569 1.00 74.31 N ATOM 155 CA ALA A 10 7.806 5.226 10.043 1.00 25.54 C ATOM 156 C ALA A 10 6.814 4.225 10.687 1.00 24.02 C ATOM 157 O ALA A 10 7.111 3.605 11.722 1.00 62.25 O ATOM 158 CB ALA A 10 7.411 6.668 10.397 1.00 13.04 C ATOM 0 H ALA A 10 7.544 5.883 8.055 1.00 74.31 H new ATOM 0 HA ALA A 10 8.795 5.011 10.447 1.00 25.54 H new ATOM 0 HB1 ALA A 10 7.363 6.776 11.481 1.00 13.04 H new ATOM 0 HB2 ALA A 10 8.154 7.358 9.996 1.00 13.04 H new ATOM 0 HB3 ALA A 10 6.436 6.894 9.966 1.00 13.04 H new ATOM 164 N LEU A 11 5.635 4.086 10.056 1.00 0.34 N ATOM 165 CA LEU A 11 4.595 3.128 10.484 1.00 55.40 C ATOM 166 C LEU A 11 5.034 1.680 10.216 1.00 62.13 C ATOM 167 O LEU A 11 4.790 0.803 11.033 1.00 61.34 O ATOM 168 CB LEU A 11 3.258 3.427 9.773 1.00 32.53 C ATOM 169 CG LEU A 11 2.665 4.842 10.046 1.00 64.35 C ATOM 170 CD1 LEU A 11 1.399 5.078 9.215 1.00 75.03 C ATOM 171 CD2 LEU A 11 2.405 5.067 11.551 1.00 21.04 C ATOM 0 H LEU A 11 5.374 4.633 9.236 1.00 0.34 H new ATOM 0 HA LEU A 11 4.452 3.244 11.558 1.00 55.40 H new ATOM 0 HB2 LEU A 11 3.402 3.312 8.699 1.00 32.53 H new ATOM 0 HB3 LEU A 11 2.527 2.679 10.079 1.00 32.53 H new ATOM 0 HG LEU A 11 3.407 5.577 9.735 1.00 64.35 H new ATOM 0 HD11 LEU A 11 1.006 6.073 9.425 1.00 75.03 H new ATOM 0 HD12 LEU A 11 1.640 4.999 8.155 1.00 75.03 H new ATOM 0 HD13 LEU A 11 0.649 4.330 9.473 1.00 75.03 H new ATOM 0 HD21 LEU A 11 1.992 6.064 11.704 1.00 21.04 H new ATOM 0 HD22 LEU A 11 1.697 4.321 11.913 1.00 21.04 H new ATOM 0 HD23 LEU A 11 3.342 4.975 12.100 1.00 21.04 H new ATOM 183 N ALA A 12 5.716 1.454 9.078 1.00 54.55 N ATOM 184 CA ALA A 12 6.270 0.127 8.719 1.00 75.00 C ATOM 185 C ALA A 12 7.248 -0.405 9.785 1.00 54.33 C ATOM 186 O ALA A 12 7.330 -1.618 10.013 1.00 12.00 O ATOM 187 CB ALA A 12 6.979 0.194 7.371 1.00 63.32 C ATOM 0 H ALA A 12 5.900 2.178 8.383 1.00 54.55 H new ATOM 0 HA ALA A 12 5.428 -0.562 8.661 1.00 75.00 H new ATOM 0 HB1 ALA A 12 7.380 -0.788 7.122 1.00 63.32 H new ATOM 0 HB2 ALA A 12 6.271 0.502 6.602 1.00 63.32 H new ATOM 0 HB3 ALA A 12 7.794 0.916 7.424 1.00 63.32 H new ATOM 193 N GLY A 13 7.993 0.527 10.407 1.00 70.30 N ATOM 194 CA GLY A 13 8.882 0.199 11.519 1.00 12.21 C ATOM 195 C GLY A 13 8.158 -0.415 12.716 1.00 44.00 C ATOM 196 O GLY A 13 8.458 -1.541 13.107 1.00 51.32 O ATOM 0 H GLY A 13 7.991 1.515 10.152 1.00 70.30 H new ATOM 0 HA2 GLY A 13 9.646 -0.496 11.171 1.00 12.21 H new ATOM 0 HA3 GLY A 13 9.398 1.104 11.841 1.00 12.21 H new ATOM 200 N GLN A 14 7.135 0.295 13.232 1.00 52.02 N ATOM 201 CA GLN A 14 6.368 -0.140 14.429 1.00 15.21 C ATOM 202 C GLN A 14 5.448 -1.359 14.133 1.00 33.11 C ATOM 203 O GLN A 14 5.198 -2.176 15.026 1.00 33.45 O ATOM 204 CB GLN A 14 5.547 1.045 15.019 1.00 52.55 C ATOM 205 CG GLN A 14 4.470 1.632 14.076 1.00 0.01 C ATOM 206 CD GLN A 14 3.680 2.814 14.655 1.00 52.13 C ATOM 207 OE1 GLN A 14 2.507 3.000 14.350 1.00 24.41 O ATOM 208 NE2 GLN A 14 4.318 3.642 15.460 1.00 42.14 N ATOM 0 H GLN A 14 6.815 1.180 12.839 1.00 52.02 H new ATOM 0 HA GLN A 14 7.095 -0.465 15.173 1.00 15.21 H new ATOM 0 HB2 GLN A 14 5.061 0.709 15.935 1.00 52.55 H new ATOM 0 HB3 GLN A 14 6.237 1.842 15.297 1.00 52.55 H new ATOM 0 HG2 GLN A 14 4.952 1.953 13.153 1.00 0.01 H new ATOM 0 HG3 GLN A 14 3.769 0.840 13.811 1.00 0.01 H new ATOM 0 HE21 GLN A 14 5.294 3.469 15.701 1.00 42.14 H new ATOM 0 HE22 GLN A 14 3.835 4.456 15.842 1.00 42.14 H new ATOM 217 N ILE A 15 4.947 -1.461 12.882 1.00 3.11 N ATOM 218 CA ILE A 15 4.150 -2.628 12.417 1.00 31.51 C ATOM 219 C ILE A 15 5.017 -3.910 12.433 1.00 1.22 C ATOM 220 O ILE A 15 4.614 -4.938 12.990 1.00 34.23 O ATOM 221 CB ILE A 15 3.544 -2.384 10.969 1.00 73.24 C ATOM 222 CG1 ILE A 15 2.461 -1.249 10.999 1.00 65.33 C ATOM 223 CG2 ILE A 15 2.958 -3.684 10.359 1.00 32.22 C ATOM 224 CD1 ILE A 15 1.895 -0.856 9.633 1.00 3.15 C ATOM 0 H ILE A 15 5.080 -0.745 12.168 1.00 3.11 H new ATOM 0 HA ILE A 15 3.315 -2.756 13.105 1.00 31.51 H new ATOM 0 HB ILE A 15 4.364 -2.063 10.327 1.00 73.24 H new ATOM 0 HG12 ILE A 15 1.638 -1.570 11.637 1.00 65.33 H new ATOM 0 HG13 ILE A 15 2.897 -0.364 11.463 1.00 65.33 H new ATOM 0 HG21 ILE A 15 2.554 -3.472 9.369 1.00 32.22 H new ATOM 0 HG22 ILE A 15 3.745 -4.434 10.277 1.00 32.22 H new ATOM 0 HG23 ILE A 15 2.163 -4.061 11.002 1.00 32.22 H new ATOM 0 HD11 ILE A 15 1.155 -0.065 9.759 1.00 3.15 H new ATOM 0 HD12 ILE A 15 2.702 -0.499 8.994 1.00 3.15 H new ATOM 0 HD13 ILE A 15 1.424 -1.724 9.171 1.00 3.15 H new ATOM 236 N TRP A 16 6.225 -3.812 11.844 1.00 60.31 N ATOM 237 CA TRP A 16 7.192 -4.925 11.799 1.00 43.20 C ATOM 238 C TRP A 16 7.677 -5.320 13.222 1.00 53.10 C ATOM 239 O TRP A 16 7.836 -6.504 13.521 1.00 61.32 O ATOM 240 CB TRP A 16 8.401 -4.548 10.900 1.00 55.45 C ATOM 241 CG TRP A 16 9.378 -5.685 10.708 1.00 65.14 C ATOM 242 CD1 TRP A 16 9.303 -6.662 9.766 1.00 12.21 C ATOM 243 CD2 TRP A 16 10.541 -5.981 11.503 1.00 14.10 C ATOM 244 NE1 TRP A 16 10.348 -7.540 9.911 1.00 3.13 N ATOM 245 CE2 TRP A 16 11.119 -7.145 10.975 1.00 15.23 C ATOM 246 CE3 TRP A 16 11.145 -5.363 12.606 1.00 0.05 C ATOM 247 CZ2 TRP A 16 12.269 -7.716 11.516 1.00 12.34 C ATOM 248 CZ3 TRP A 16 12.280 -5.930 13.148 1.00 75.11 C ATOM 249 CH2 TRP A 16 12.838 -7.089 12.599 1.00 72.21 C ATOM 0 H TRP A 16 6.556 -2.962 11.388 1.00 60.31 H new ATOM 0 HA TRP A 16 6.686 -5.790 11.372 1.00 43.20 H new ATOM 0 HB2 TRP A 16 8.034 -4.224 9.926 1.00 55.45 H new ATOM 0 HB3 TRP A 16 8.923 -3.699 11.342 1.00 55.45 H new ATOM 0 HD1 TRP A 16 8.533 -6.737 9.013 1.00 12.21 H new ATOM 0 HE1 TRP A 16 10.523 -8.355 9.323 1.00 3.13 H new ATOM 0 HE3 TRP A 16 10.729 -4.458 13.025 1.00 0.05 H new ATOM 0 HZ2 TRP A 16 12.697 -8.616 11.101 1.00 12.34 H new ATOM 0 HZ3 TRP A 16 12.744 -5.472 14.009 1.00 75.11 H new ATOM 0 HH2 TRP A 16 13.736 -7.501 13.036 1.00 72.21 H new ATOM 260 N GLU A 17 7.926 -4.309 14.079 1.00 62.35 N ATOM 261 CA GLU A 17 8.346 -4.520 15.492 1.00 72.31 C ATOM 262 C GLU A 17 7.234 -5.205 16.322 1.00 52.45 C ATOM 263 O GLU A 17 7.526 -5.972 17.246 1.00 23.11 O ATOM 264 CB GLU A 17 8.784 -3.174 16.140 1.00 11.24 C ATOM 265 CG GLU A 17 10.088 -2.594 15.551 1.00 43.40 C ATOM 266 CD GLU A 17 10.476 -1.229 16.148 1.00 43.40 C ATOM 267 OE1 GLU A 17 11.149 -1.197 17.201 1.00 22.43 O ATOM 268 OE2 GLU A 17 10.109 -0.183 15.569 1.00 75.33 O ATOM 0 H GLU A 17 7.844 -3.326 13.819 1.00 62.35 H new ATOM 0 HA GLU A 17 9.204 -5.192 15.488 1.00 72.31 H new ATOM 0 HB2 GLU A 17 7.984 -2.444 16.015 1.00 11.24 H new ATOM 0 HB3 GLU A 17 8.915 -3.323 17.212 1.00 11.24 H new ATOM 0 HG2 GLU A 17 10.900 -3.301 15.721 1.00 43.40 H new ATOM 0 HG3 GLU A 17 9.976 -2.491 14.472 1.00 43.40 H new ATOM 275 N ALA A 18 5.965 -4.931 15.964 1.00 43.03 N ATOM 276 CA ALA A 18 4.786 -5.617 16.548 1.00 12.34 C ATOM 277 C ALA A 18 4.720 -7.104 16.094 1.00 54.13 C ATOM 278 O ALA A 18 4.294 -7.985 16.848 1.00 41.24 O ATOM 279 CB ALA A 18 3.500 -4.870 16.161 1.00 44.02 C ATOM 0 H ALA A 18 5.724 -4.230 15.264 1.00 43.03 H new ATOM 0 HA ALA A 18 4.884 -5.609 17.634 1.00 12.34 H new ATOM 0 HB1 ALA A 18 2.639 -5.380 16.593 1.00 44.02 H new ATOM 0 HB2 ALA A 18 3.545 -3.849 16.539 1.00 44.02 H new ATOM 0 HB3 ALA A 18 3.403 -4.851 15.076 1.00 44.02 H new ATOM 285 N LEU A 19 5.169 -7.359 14.851 1.00 54.41 N ATOM 286 CA LEU A 19 5.253 -8.719 14.263 1.00 13.22 C ATOM 287 C LEU A 19 6.515 -9.490 14.738 1.00 25.50 C ATOM 288 O LEU A 19 6.539 -10.724 14.688 1.00 4.11 O ATOM 289 CB LEU A 19 5.261 -8.605 12.713 1.00 63.24 C ATOM 290 CG LEU A 19 3.977 -7.996 12.069 1.00 51.14 C ATOM 291 CD1 LEU A 19 4.175 -7.728 10.560 1.00 64.34 C ATOM 292 CD2 LEU A 19 2.754 -8.905 12.321 1.00 21.22 C ATOM 0 H LEU A 19 5.487 -6.625 14.218 1.00 54.41 H new ATOM 0 HA LEU A 19 4.383 -9.283 14.600 1.00 13.22 H new ATOM 0 HB2 LEU A 19 6.116 -7.997 12.417 1.00 63.24 H new ATOM 0 HB3 LEU A 19 5.417 -9.600 12.295 1.00 63.24 H new ATOM 0 HG LEU A 19 3.787 -7.035 12.547 1.00 51.14 H new ATOM 0 HD11 LEU A 19 3.262 -7.304 10.143 1.00 64.34 H new ATOM 0 HD12 LEU A 19 4.998 -7.027 10.420 1.00 64.34 H new ATOM 0 HD13 LEU A 19 4.406 -8.664 10.051 1.00 64.34 H new ATOM 0 HD21 LEU A 19 1.870 -8.461 11.863 1.00 21.22 H new ATOM 0 HD22 LEU A 19 2.934 -9.887 11.884 1.00 21.22 H new ATOM 0 HD23 LEU A 19 2.593 -9.009 13.394 1.00 21.22 H new ATOM 304 N ASN A 20 7.563 -8.755 15.175 1.00 61.41 N ATOM 305 CA ASN A 20 8.849 -9.356 15.602 1.00 11.30 C ATOM 306 C ASN A 20 8.689 -10.157 16.919 1.00 51.34 C ATOM 307 O ASN A 20 8.300 -9.607 17.950 1.00 31.34 O ATOM 308 CB ASN A 20 9.948 -8.269 15.718 1.00 33.25 C ATOM 309 CG ASN A 20 11.334 -8.859 15.982 1.00 53.01 C ATOM 310 OD1 ASN A 20 11.767 -9.002 17.122 1.00 62.33 O ATOM 311 ND2 ASN A 20 12.026 -9.242 14.927 1.00 21.21 N ATOM 0 H ASN A 20 7.543 -7.737 15.242 1.00 61.41 H new ATOM 0 HA ASN A 20 9.164 -10.065 14.837 1.00 11.30 H new ATOM 0 HB2 ASN A 20 9.975 -7.685 14.798 1.00 33.25 H new ATOM 0 HB3 ASN A 20 9.690 -7.582 16.524 1.00 33.25 H new ATOM 0 HD21 ASN A 20 12.945 -9.669 15.047 1.00 21.21 H new ATOM 0 HD22 ASN A 20 11.643 -9.112 13.991 1.00 21.21 H new ATOM 318 N GLY A 21 9.006 -11.465 16.851 1.00 1.10 N ATOM 319 CA GLY A 21 8.732 -12.416 17.944 1.00 53.32 C ATOM 320 C GLY A 21 7.466 -13.255 17.701 1.00 25.04 C ATOM 321 O GLY A 21 7.366 -14.393 18.174 1.00 13.23 O ATOM 0 H GLY A 21 9.457 -11.889 16.041 1.00 1.10 H new ATOM 0 HA2 GLY A 21 9.587 -13.082 18.063 1.00 53.32 H new ATOM 0 HA3 GLY A 21 8.624 -11.866 18.879 1.00 53.32 H new ATOM 325 N THR A 22 6.503 -12.678 16.961 1.00 54.50 N ATOM 326 CA THR A 22 5.222 -13.340 16.601 1.00 64.12 C ATOM 327 C THR A 22 5.370 -14.143 15.272 1.00 44.54 C ATOM 328 O THR A 22 6.205 -13.805 14.426 1.00 22.53 O ATOM 329 CB THR A 22 4.080 -12.264 16.439 1.00 52.03 C ATOM 330 OG1 THR A 22 4.095 -11.353 17.555 1.00 14.44 O ATOM 331 CG2 THR A 22 2.675 -12.891 16.333 1.00 31.31 C ATOM 0 H THR A 22 6.586 -11.732 16.590 1.00 54.50 H new ATOM 0 HA THR A 22 4.960 -14.030 17.403 1.00 64.12 H new ATOM 0 HB THR A 22 4.284 -11.738 15.506 1.00 52.03 H new ATOM 0 HG1 THR A 22 3.384 -10.688 17.444 1.00 14.44 H new ATOM 0 HG21 THR A 22 1.932 -12.101 16.223 1.00 31.31 H new ATOM 0 HG22 THR A 22 2.635 -13.550 15.466 1.00 31.31 H new ATOM 0 HG23 THR A 22 2.464 -13.465 17.235 1.00 31.31 H new ATOM 339 N GLU A 23 4.535 -15.188 15.090 1.00 51.53 N ATOM 340 CA GLU A 23 4.528 -16.031 13.860 1.00 15.35 C ATOM 341 C GLU A 23 3.662 -15.427 12.731 1.00 61.04 C ATOM 342 O GLU A 23 3.667 -15.941 11.607 1.00 13.34 O ATOM 343 CB GLU A 23 4.011 -17.451 14.191 1.00 14.15 C ATOM 344 CG GLU A 23 4.917 -18.246 15.149 1.00 41.30 C ATOM 345 CD GLU A 23 4.430 -19.687 15.407 1.00 70.31 C ATOM 346 OE1 GLU A 23 4.063 -20.385 14.437 1.00 65.11 O ATOM 347 OE2 GLU A 23 4.440 -20.132 16.576 1.00 10.10 O ATOM 0 H GLU A 23 3.846 -15.476 15.785 1.00 51.53 H new ATOM 0 HA GLU A 23 5.557 -16.075 13.503 1.00 15.35 H new ATOM 0 HB2 GLU A 23 3.018 -17.370 14.632 1.00 14.15 H new ATOM 0 HB3 GLU A 23 3.903 -18.012 13.262 1.00 14.15 H new ATOM 0 HG2 GLU A 23 5.926 -18.281 14.737 1.00 41.30 H new ATOM 0 HG3 GLU A 23 4.979 -17.717 16.100 1.00 41.30 H new ATOM 354 N GLY A 24 2.911 -14.354 13.041 1.00 34.31 N ATOM 355 CA GLY A 24 1.999 -13.730 12.076 1.00 35.51 C ATOM 356 C GLY A 24 0.741 -13.142 12.718 1.00 50.34 C ATOM 357 O GLY A 24 0.192 -13.722 13.660 1.00 73.44 O ATOM 0 H GLY A 24 2.921 -13.903 13.956 1.00 34.31 H new ATOM 0 HA2 GLY A 24 2.530 -12.940 11.545 1.00 35.51 H new ATOM 0 HA3 GLY A 24 1.706 -14.472 11.333 1.00 35.51 H new ATOM 361 N LEU A 25 0.275 -11.993 12.186 1.00 62.24 N ATOM 362 CA LEU A 25 -0.955 -11.296 12.643 1.00 61.41 C ATOM 363 C LEU A 25 -1.788 -10.832 11.430 1.00 24.24 C ATOM 364 O LEU A 25 -1.259 -10.690 10.324 1.00 0.12 O ATOM 365 CB LEU A 25 -0.602 -10.055 13.528 1.00 73.32 C ATOM 366 CG LEU A 25 0.075 -10.342 14.909 1.00 4.23 C ATOM 367 CD1 LEU A 25 0.446 -9.028 15.635 1.00 22.12 C ATOM 368 CD2 LEU A 25 -0.824 -11.232 15.799 1.00 40.32 C ATOM 0 H LEU A 25 0.745 -11.514 11.418 1.00 62.24 H new ATOM 0 HA LEU A 25 -1.535 -12.001 13.239 1.00 61.41 H new ATOM 0 HB2 LEU A 25 0.059 -9.406 12.954 1.00 73.32 H new ATOM 0 HB3 LEU A 25 -1.520 -9.495 13.709 1.00 73.32 H new ATOM 0 HG LEU A 25 0.998 -10.888 14.716 1.00 4.23 H new ATOM 0 HD11 LEU A 25 0.914 -9.260 16.591 1.00 22.12 H new ATOM 0 HD12 LEU A 25 1.141 -8.456 15.020 1.00 22.12 H new ATOM 0 HD13 LEU A 25 -0.456 -8.440 15.806 1.00 22.12 H new ATOM 0 HD21 LEU A 25 -0.327 -11.414 16.752 1.00 40.32 H new ATOM 0 HD22 LEU A 25 -1.774 -10.728 15.976 1.00 40.32 H new ATOM 0 HD23 LEU A 25 -1.006 -12.182 15.297 1.00 40.32 H new ATOM 380 N THR A 26 -3.096 -10.594 11.641 1.00 34.50 N ATOM 381 CA THR A 26 -3.968 -9.977 10.608 1.00 73.44 C ATOM 382 C THR A 26 -3.900 -8.433 10.694 1.00 10.22 C ATOM 383 O THR A 26 -3.317 -7.882 11.639 1.00 2.33 O ATOM 384 CB THR A 26 -5.465 -10.428 10.756 1.00 62.01 C ATOM 385 OG1 THR A 26 -6.036 -9.868 11.954 1.00 73.14 O ATOM 386 CG2 THR A 26 -5.605 -11.965 10.790 1.00 43.24 C ATOM 0 H THR A 26 -3.577 -10.817 12.513 1.00 34.50 H new ATOM 0 HA THR A 26 -3.599 -10.315 9.640 1.00 73.44 H new ATOM 0 HB THR A 26 -6.002 -10.060 9.882 1.00 62.01 H new ATOM 0 HG1 THR A 26 -6.970 -10.154 12.036 1.00 73.14 H new ATOM 0 HG21 THR A 26 -6.657 -12.232 10.893 1.00 43.24 H new ATOM 0 HG22 THR A 26 -5.213 -12.387 9.865 1.00 43.24 H new ATOM 0 HG23 THR A 26 -5.045 -12.363 11.636 1.00 43.24 H new ATOM 394 N GLN A 27 -4.522 -7.753 9.708 1.00 61.11 N ATOM 395 CA GLN A 27 -4.655 -6.273 9.682 1.00 23.10 C ATOM 396 C GLN A 27 -5.237 -5.721 11.011 1.00 2.10 C ATOM 397 O GLN A 27 -4.700 -4.771 11.584 1.00 15.33 O ATOM 398 CB GLN A 27 -5.542 -5.866 8.473 1.00 41.20 C ATOM 399 CG GLN A 27 -5.898 -4.364 8.375 1.00 44.22 C ATOM 400 CD GLN A 27 -6.614 -3.992 7.070 1.00 13.34 C ATOM 401 OE1 GLN A 27 -6.382 -4.587 6.025 1.00 14.31 O ATOM 402 NE2 GLN A 27 -7.500 -3.025 7.118 1.00 22.01 N ATOM 0 H GLN A 27 -4.949 -8.212 8.903 1.00 61.11 H new ATOM 0 HA GLN A 27 -3.663 -5.835 9.571 1.00 23.10 H new ATOM 0 HB2 GLN A 27 -5.031 -6.159 7.556 1.00 41.20 H new ATOM 0 HB3 GLN A 27 -6.469 -6.438 8.518 1.00 41.20 H new ATOM 0 HG2 GLN A 27 -6.532 -4.093 9.219 1.00 44.22 H new ATOM 0 HG3 GLN A 27 -4.985 -3.775 8.460 1.00 44.22 H new ATOM 0 HE21 GLN A 27 -7.680 -2.541 7.998 1.00 22.01 H new ATOM 0 HE22 GLN A 27 -8.009 -2.757 6.276 1.00 22.01 H new ATOM 411 N LYS A 28 -6.301 -6.381 11.505 1.00 4.10 N ATOM 412 CA LYS A 28 -7.011 -5.994 12.752 1.00 64.31 C ATOM 413 C LYS A 28 -6.116 -6.098 14.015 1.00 0.11 C ATOM 414 O LYS A 28 -6.199 -5.255 14.917 1.00 20.30 O ATOM 415 CB LYS A 28 -8.261 -6.887 12.949 1.00 44.24 C ATOM 416 CG LYS A 28 -9.275 -6.847 11.785 1.00 53.04 C ATOM 417 CD LYS A 28 -10.571 -7.666 12.053 1.00 4.20 C ATOM 418 CE LYS A 28 -11.546 -6.989 13.047 1.00 2.43 C ATOM 419 NZ LYS A 28 -11.032 -6.918 14.446 1.00 13.13 N ATOM 0 H LYS A 28 -6.699 -7.204 11.052 1.00 4.10 H new ATOM 0 HA LYS A 28 -7.297 -4.949 12.634 1.00 64.31 H new ATOM 0 HB2 LYS A 28 -7.935 -7.917 13.093 1.00 44.24 H new ATOM 0 HB3 LYS A 28 -8.768 -6.582 13.864 1.00 44.24 H new ATOM 0 HG2 LYS A 28 -9.546 -5.810 11.587 1.00 53.04 H new ATOM 0 HG3 LYS A 28 -8.795 -7.229 10.884 1.00 53.04 H new ATOM 0 HD2 LYS A 28 -11.088 -7.830 11.107 1.00 4.20 H new ATOM 0 HD3 LYS A 28 -10.296 -8.647 12.440 1.00 4.20 H new ATOM 0 HE2 LYS A 28 -11.762 -5.979 12.698 1.00 2.43 H new ATOM 0 HE3 LYS A 28 -12.489 -7.535 13.044 1.00 2.43 H new ATOM 0 HZ1 LYS A 28 -11.819 -7.051 15.112 1.00 13.13 H new ATOM 0 HZ2 LYS A 28 -10.324 -7.665 14.594 1.00 13.13 H new ATOM 0 HZ3 LYS A 28 -10.594 -5.989 14.608 1.00 13.13 H new ATOM 433 N GLN A 29 -5.284 -7.149 14.073 1.00 15.50 N ATOM 434 CA GLN A 29 -4.401 -7.407 15.236 1.00 31.42 C ATOM 435 C GLN A 29 -3.258 -6.371 15.316 1.00 4.04 C ATOM 436 O GLN A 29 -2.863 -5.934 16.406 1.00 21.01 O ATOM 437 CB GLN A 29 -3.831 -8.848 15.170 1.00 23.11 C ATOM 438 CG GLN A 29 -4.878 -9.983 15.024 1.00 41.12 C ATOM 439 CD GLN A 29 -5.929 -10.077 16.147 1.00 71.02 C ATOM 440 OE1 GLN A 29 -6.339 -9.089 16.743 1.00 44.24 O ATOM 441 NE2 GLN A 29 -6.387 -11.280 16.439 1.00 41.23 N ATOM 0 H GLN A 29 -5.199 -7.840 13.328 1.00 15.50 H new ATOM 0 HA GLN A 29 -4.999 -7.308 16.142 1.00 31.42 H new ATOM 0 HB2 GLN A 29 -3.140 -8.907 14.329 1.00 23.11 H new ATOM 0 HB3 GLN A 29 -3.250 -9.030 16.074 1.00 23.11 H new ATOM 0 HG2 GLN A 29 -5.399 -9.851 14.076 1.00 41.12 H new ATOM 0 HG3 GLN A 29 -4.349 -10.934 14.967 1.00 41.12 H new ATOM 0 HE21 GLN A 29 -6.037 -12.095 15.935 1.00 41.23 H new ATOM 0 HE22 GLN A 29 -7.091 -11.395 17.168 1.00 41.23 H new ATOM 450 N ILE A 30 -2.747 -5.984 14.139 1.00 12.40 N ATOM 451 CA ILE A 30 -1.718 -4.933 14.007 1.00 42.21 C ATOM 452 C ILE A 30 -2.288 -3.542 14.376 1.00 62.44 C ATOM 453 O ILE A 30 -1.610 -2.754 15.036 1.00 62.22 O ATOM 454 CB ILE A 30 -1.124 -4.928 12.554 1.00 51.24 C ATOM 455 CG1 ILE A 30 -0.427 -6.301 12.265 1.00 22.53 C ATOM 456 CG2 ILE A 30 -0.153 -3.741 12.329 1.00 10.11 C ATOM 457 CD1 ILE A 30 0.109 -6.468 10.856 1.00 51.33 C ATOM 0 H ILE A 30 -3.033 -6.389 13.248 1.00 12.40 H new ATOM 0 HA ILE A 30 -0.913 -5.156 14.708 1.00 42.21 H new ATOM 0 HB ILE A 30 -1.944 -4.793 11.849 1.00 51.24 H new ATOM 0 HG12 ILE A 30 0.397 -6.427 12.968 1.00 22.53 H new ATOM 0 HG13 ILE A 30 -1.140 -7.101 12.463 1.00 22.53 H new ATOM 0 HG21 ILE A 30 0.235 -3.776 11.311 1.00 10.11 H new ATOM 0 HG22 ILE A 30 -0.685 -2.802 12.483 1.00 10.11 H new ATOM 0 HG23 ILE A 30 0.675 -3.809 13.035 1.00 10.11 H new ATOM 0 HD11 ILE A 30 0.572 -7.450 10.757 1.00 51.33 H new ATOM 0 HD12 ILE A 30 -0.710 -6.379 10.142 1.00 51.33 H new ATOM 0 HD13 ILE A 30 0.851 -5.695 10.655 1.00 51.33 H new ATOM 469 N LYS A 31 -3.546 -3.271 13.961 1.00 75.44 N ATOM 470 CA LYS A 31 -4.277 -2.019 14.311 1.00 33.41 C ATOM 471 C LYS A 31 -4.310 -1.771 15.842 1.00 74.53 C ATOM 472 O LYS A 31 -4.184 -0.632 16.288 1.00 61.54 O ATOM 473 CB LYS A 31 -5.731 -2.069 13.752 1.00 1.13 C ATOM 474 CG LYS A 31 -5.850 -1.886 12.219 1.00 53.31 C ATOM 475 CD LYS A 31 -5.633 -0.424 11.757 1.00 41.23 C ATOM 476 CE LYS A 31 -6.672 0.552 12.355 1.00 34.43 C ATOM 477 NZ LYS A 31 -8.070 0.130 12.060 1.00 70.01 N ATOM 0 H LYS A 31 -4.087 -3.908 13.376 1.00 75.44 H new ATOM 0 HA LYS A 31 -3.737 -1.191 13.853 1.00 33.41 H new ATOM 0 HB2 LYS A 31 -6.176 -3.026 14.024 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -6.319 -1.293 14.242 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -5.120 -2.528 11.726 1.00 53.31 H new ATOM 0 HG3 LYS A 31 -6.836 -2.219 11.896 1.00 53.31 H new ATOM 0 HD2 LYS A 31 -4.632 -0.102 12.043 1.00 41.23 H new ATOM 0 HD3 LYS A 31 -5.684 -0.380 10.669 1.00 41.23 H new ATOM 0 HE2 LYS A 31 -6.532 0.613 13.434 1.00 34.43 H new ATOM 0 HE3 LYS A 31 -6.503 1.551 11.954 1.00 34.43 H new ATOM 0 HZ1 LYS A 31 -8.628 0.957 11.767 1.00 70.01 H new ATOM 0 HZ2 LYS A 31 -8.066 -0.574 11.294 1.00 70.01 H new ATOM 0 HZ3 LYS A 31 -8.494 -0.289 12.913 1.00 70.01 H new ATOM 491 N LYS A 32 -4.494 -2.847 16.627 1.00 4.23 N ATOM 492 CA LYS A 32 -4.451 -2.782 18.113 1.00 35.42 C ATOM 493 C LYS A 32 -3.010 -2.533 18.632 1.00 45.12 C ATOM 494 O LYS A 32 -2.789 -1.704 19.522 1.00 12.02 O ATOM 495 CB LYS A 32 -5.013 -4.098 18.716 1.00 44.33 C ATOM 496 CG LYS A 32 -6.469 -4.407 18.307 1.00 12.32 C ATOM 497 CD LYS A 32 -7.478 -3.341 18.810 1.00 15.24 C ATOM 498 CE LYS A 32 -8.914 -3.605 18.319 1.00 52.33 C ATOM 499 NZ LYS A 32 -9.451 -4.912 18.791 1.00 12.00 N ATOM 0 H LYS A 32 -4.676 -3.782 16.261 1.00 4.23 H new ATOM 0 HA LYS A 32 -5.069 -1.942 18.430 1.00 35.42 H new ATOM 0 HB2 LYS A 32 -4.376 -4.927 18.408 1.00 44.33 H new ATOM 0 HB3 LYS A 32 -4.957 -4.040 19.803 1.00 44.33 H new ATOM 0 HG2 LYS A 32 -6.529 -4.473 17.221 1.00 12.32 H new ATOM 0 HG3 LYS A 32 -6.752 -5.383 18.702 1.00 12.32 H new ATOM 0 HD2 LYS A 32 -7.468 -3.323 19.900 1.00 15.24 H new ATOM 0 HD3 LYS A 32 -7.158 -2.355 18.472 1.00 15.24 H new ATOM 0 HE2 LYS A 32 -9.565 -2.803 18.665 1.00 52.33 H new ATOM 0 HE3 LYS A 32 -8.931 -3.582 17.229 1.00 52.33 H new ATOM 0 HZ1 LYS A 32 -10.431 -5.024 18.461 1.00 12.00 H new ATOM 0 HZ2 LYS A 32 -8.867 -5.685 18.412 1.00 12.00 H new ATOM 0 HZ3 LYS A 32 -9.430 -4.941 19.830 1.00 12.00 H new ATOM 513 N ALA A 33 -2.043 -3.260 18.039 1.00 34.32 N ATOM 514 CA ALA A 33 -0.623 -3.261 18.479 1.00 61.25 C ATOM 515 C ALA A 33 0.136 -1.943 18.150 1.00 54.32 C ATOM 516 O ALA A 33 1.165 -1.647 18.769 1.00 34.11 O ATOM 517 CB ALA A 33 0.107 -4.465 17.852 1.00 31.00 C ATOM 0 H ALA A 33 -2.219 -3.867 17.238 1.00 34.32 H new ATOM 0 HA ALA A 33 -0.630 -3.340 19.566 1.00 61.25 H new ATOM 0 HB1 ALA A 33 1.148 -4.467 18.174 1.00 31.00 H new ATOM 0 HB2 ALA A 33 -0.374 -5.389 18.173 1.00 31.00 H new ATOM 0 HB3 ALA A 33 0.063 -4.391 16.765 1.00 31.00 H new ATOM 523 N THR A 34 -0.347 -1.187 17.149 1.00 4.33 N ATOM 524 CA THR A 34 0.311 0.069 16.679 1.00 71.03 C ATOM 525 C THR A 34 -0.615 1.314 16.772 1.00 2.04 C ATOM 526 O THR A 34 -0.148 2.436 16.553 1.00 72.41 O ATOM 527 CB THR A 34 0.787 -0.094 15.196 1.00 2.20 C ATOM 528 OG1 THR A 34 -0.338 -0.405 14.360 1.00 1.52 O ATOM 529 CG2 THR A 34 1.845 -1.200 15.046 1.00 73.03 C ATOM 0 H THR A 34 -1.199 -1.418 16.638 1.00 4.33 H new ATOM 0 HA THR A 34 1.160 0.236 17.342 1.00 71.03 H new ATOM 0 HB THR A 34 1.240 0.850 14.893 1.00 2.20 H new ATOM 0 HG1 THR A 34 -0.652 -1.312 14.558 1.00 1.52 H new ATOM 0 HG21 THR A 34 2.145 -1.277 14.001 1.00 73.03 H new ATOM 0 HG22 THR A 34 2.715 -0.957 15.656 1.00 73.03 H new ATOM 0 HG23 THR A 34 1.426 -2.151 15.374 1.00 73.03 H new ATOM 537 N LYS A 35 -1.921 1.084 17.065 1.00 5.04 N ATOM 538 CA LYS A 35 -2.989 2.134 17.205 1.00 73.53 C ATOM 539 C LYS A 35 -3.078 3.091 15.975 1.00 43.44 C ATOM 540 O LYS A 35 -3.314 4.305 16.114 1.00 73.22 O ATOM 541 CB LYS A 35 -2.936 2.922 18.569 1.00 44.42 C ATOM 542 CG LYS A 35 -1.760 3.922 18.764 1.00 53.01 C ATOM 543 CD LYS A 35 -1.986 4.912 19.940 1.00 70.32 C ATOM 544 CE LYS A 35 -2.167 4.210 21.293 1.00 20.11 C ATOM 545 NZ LYS A 35 -1.004 3.352 21.629 1.00 51.12 N ATOM 0 H LYS A 35 -2.280 0.141 17.216 1.00 5.04 H new ATOM 0 HA LYS A 35 -3.922 1.570 17.226 1.00 73.53 H new ATOM 0 HB2 LYS A 35 -3.870 3.473 18.678 1.00 44.42 H new ATOM 0 HB3 LYS A 35 -2.899 2.194 19.379 1.00 44.42 H new ATOM 0 HG2 LYS A 35 -0.841 3.362 18.940 1.00 53.01 H new ATOM 0 HG3 LYS A 35 -1.617 4.488 17.844 1.00 53.01 H new ATOM 0 HD2 LYS A 35 -1.137 5.593 20.002 1.00 70.32 H new ATOM 0 HD3 LYS A 35 -2.867 5.519 19.732 1.00 70.32 H new ATOM 0 HE2 LYS A 35 -2.305 4.957 22.074 1.00 20.11 H new ATOM 0 HE3 LYS A 35 -3.072 3.603 21.269 1.00 20.11 H new ATOM 0 HZ1 LYS A 35 -1.117 2.976 22.592 1.00 51.12 H new ATOM 0 HZ2 LYS A 35 -0.948 2.563 20.954 1.00 51.12 H new ATOM 0 HZ3 LYS A 35 -0.131 3.915 21.577 1.00 51.12 H new ATOM 559 N LEU A 36 -2.941 2.501 14.764 1.00 71.33 N ATOM 560 CA LEU A 36 -3.046 3.239 13.479 1.00 25.13 C ATOM 561 C LEU A 36 -4.401 3.979 13.380 1.00 4.34 C ATOM 562 O LEU A 36 -5.465 3.368 13.547 1.00 3.23 O ATOM 563 CB LEU A 36 -2.866 2.271 12.282 1.00 64.12 C ATOM 564 CG LEU A 36 -1.489 1.539 12.214 1.00 11.33 C ATOM 565 CD1 LEU A 36 -1.473 0.456 11.124 1.00 24.22 C ATOM 566 CD2 LEU A 36 -0.322 2.536 12.027 1.00 44.53 C ATOM 0 H LEU A 36 -2.755 1.505 14.648 1.00 71.33 H new ATOM 0 HA LEU A 36 -2.249 3.982 13.446 1.00 25.13 H new ATOM 0 HB2 LEU A 36 -3.656 1.521 12.322 1.00 64.12 H new ATOM 0 HB3 LEU A 36 -3.006 2.833 11.358 1.00 64.12 H new ATOM 0 HG LEU A 36 -1.346 1.041 13.173 1.00 11.33 H new ATOM 0 HD11 LEU A 36 -0.498 -0.030 11.109 1.00 24.22 H new ATOM 0 HD12 LEU A 36 -2.244 -0.285 11.336 1.00 24.22 H new ATOM 0 HD13 LEU A 36 -1.666 0.914 10.154 1.00 24.22 H new ATOM 0 HD21 LEU A 36 0.620 1.989 11.984 1.00 44.53 H new ATOM 0 HD22 LEU A 36 -0.462 3.091 11.099 1.00 44.53 H new ATOM 0 HD23 LEU A 36 -0.300 3.232 12.866 1.00 44.53 H new ATOM 578 N LYS A 37 -4.336 5.290 13.111 1.00 2.12 N ATOM 579 CA LYS A 37 -5.496 6.215 13.198 1.00 14.20 C ATOM 580 C LYS A 37 -6.591 5.836 12.176 1.00 21.12 C ATOM 581 O LYS A 37 -7.788 6.016 12.421 1.00 65.35 O ATOM 582 CB LYS A 37 -5.022 7.683 12.989 1.00 2.51 C ATOM 583 CG LYS A 37 -3.996 8.202 14.045 1.00 33.33 C ATOM 584 CD LYS A 37 -2.523 7.712 13.844 1.00 31.52 C ATOM 585 CE LYS A 37 -1.750 8.475 12.740 1.00 23.42 C ATOM 586 NZ LYS A 37 -2.378 8.389 11.398 1.00 54.42 N ATOM 0 H LYS A 37 -3.473 5.752 12.823 1.00 2.12 H new ATOM 0 HA LYS A 37 -5.934 6.127 14.192 1.00 14.20 H new ATOM 0 HB2 LYS A 37 -4.575 7.767 11.998 1.00 2.51 H new ATOM 0 HB3 LYS A 37 -5.895 8.336 13.001 1.00 2.51 H new ATOM 0 HG2 LYS A 37 -4.004 9.292 14.030 1.00 33.33 H new ATOM 0 HG3 LYS A 37 -4.332 7.894 15.035 1.00 33.33 H new ATOM 0 HD2 LYS A 37 -1.985 7.814 14.787 1.00 31.52 H new ATOM 0 HD3 LYS A 37 -2.535 6.650 13.597 1.00 31.52 H new ATOM 0 HE2 LYS A 37 -1.668 9.524 13.026 1.00 23.42 H new ATOM 0 HE3 LYS A 37 -0.735 8.081 12.682 1.00 23.42 H new ATOM 0 HZ1 LYS A 37 -1.667 8.596 10.668 1.00 54.42 H new ATOM 0 HZ2 LYS A 37 -2.755 7.431 11.252 1.00 54.42 H new ATOM 0 HZ3 LYS A 37 -3.153 9.080 11.332 1.00 54.42 H new ATOM 600 N ALA A 38 -6.141 5.311 11.037 1.00 72.52 N ATOM 601 CA ALA A 38 -6.991 4.683 10.021 1.00 11.31 C ATOM 602 C ALA A 38 -6.287 3.432 9.447 1.00 62.35 C ATOM 603 O ALA A 38 -5.072 3.260 9.599 1.00 72.31 O ATOM 604 CB ALA A 38 -7.312 5.690 8.907 1.00 64.40 C ATOM 0 H ALA A 38 -5.152 5.310 10.787 1.00 72.52 H new ATOM 0 HA ALA A 38 -7.929 4.371 10.479 1.00 11.31 H new ATOM 0 HB1 ALA A 38 -7.944 5.214 8.157 1.00 64.40 H new ATOM 0 HB2 ALA A 38 -7.835 6.547 9.331 1.00 64.40 H new ATOM 0 HB3 ALA A 38 -6.385 6.025 8.441 1.00 64.40 H new ATOM 610 N ASP A 39 -7.062 2.563 8.789 1.00 45.50 N ATOM 611 CA ASP A 39 -6.515 1.438 7.993 1.00 22.11 C ATOM 612 C ASP A 39 -5.753 1.973 6.761 1.00 21.11 C ATOM 613 O ASP A 39 -4.863 1.305 6.246 1.00 33.24 O ATOM 614 CB ASP A 39 -7.645 0.478 7.581 1.00 21.24 C ATOM 615 CG ASP A 39 -8.440 -0.025 8.797 1.00 40.12 C ATOM 616 OD1 ASP A 39 -9.357 0.694 9.254 1.00 53.23 O ATOM 617 OD2 ASP A 39 -8.123 -1.104 9.339 1.00 61.21 O ATOM 0 H ASP A 39 -8.081 2.611 8.787 1.00 45.50 H new ATOM 0 HA ASP A 39 -5.808 0.880 8.606 1.00 22.11 H new ATOM 0 HB2 ASP A 39 -8.319 0.985 6.891 1.00 21.24 H new ATOM 0 HB3 ASP A 39 -7.222 -0.373 7.046 1.00 21.24 H new ATOM 622 N LYS A 40 -6.116 3.201 6.325 1.00 32.44 N ATOM 623 CA LYS A 40 -5.389 3.964 5.273 1.00 60.11 C ATOM 624 C LYS A 40 -3.866 4.063 5.595 1.00 73.41 C ATOM 625 O LYS A 40 -3.024 3.966 4.697 1.00 55.45 O ATOM 626 CB LYS A 40 -5.977 5.400 5.171 1.00 42.32 C ATOM 627 CG LYS A 40 -7.510 5.481 4.971 1.00 74.31 C ATOM 628 CD LYS A 40 -7.979 5.002 3.581 1.00 14.23 C ATOM 629 CE LYS A 40 -9.494 5.210 3.365 1.00 52.04 C ATOM 630 NZ LYS A 40 -9.937 4.745 2.027 1.00 2.24 N ATOM 0 H LYS A 40 -6.927 3.698 6.693 1.00 32.44 H new ATOM 0 HA LYS A 40 -5.512 3.435 4.328 1.00 60.11 H new ATOM 0 HB2 LYS A 40 -5.717 5.945 6.079 1.00 42.32 H new ATOM 0 HB3 LYS A 40 -5.492 5.914 4.341 1.00 42.32 H new ATOM 0 HG2 LYS A 40 -8.000 4.880 5.737 1.00 74.31 H new ATOM 0 HG3 LYS A 40 -7.833 6.511 5.119 1.00 74.31 H new ATOM 0 HD2 LYS A 40 -7.428 5.540 2.810 1.00 14.23 H new ATOM 0 HD3 LYS A 40 -7.740 3.945 3.465 1.00 14.23 H new ATOM 0 HE2 LYS A 40 -10.047 4.673 4.136 1.00 52.04 H new ATOM 0 HE3 LYS A 40 -9.734 6.267 3.479 1.00 52.04 H new ATOM 0 HZ1 LYS A 40 -10.632 5.414 1.640 1.00 2.24 H new ATOM 0 HZ2 LYS A 40 -9.117 4.690 1.390 1.00 2.24 H new ATOM 0 HZ3 LYS A 40 -10.373 3.805 2.113 1.00 2.24 H new ATOM 644 N ASP A 41 -3.550 4.234 6.898 1.00 64.30 N ATOM 645 CA ASP A 41 -2.160 4.257 7.411 1.00 43.31 C ATOM 646 C ASP A 41 -1.484 2.869 7.276 1.00 43.24 C ATOM 647 O ASP A 41 -0.291 2.778 6.952 1.00 5.31 O ATOM 648 CB ASP A 41 -2.149 4.697 8.896 1.00 22.30 C ATOM 649 CG ASP A 41 -2.624 6.141 9.109 1.00 42.21 C ATOM 650 OD1 ASP A 41 -1.930 7.082 8.665 1.00 30.12 O ATOM 651 OD2 ASP A 41 -3.686 6.352 9.733 1.00 43.15 O ATOM 0 H ASP A 41 -4.253 4.360 7.626 1.00 64.30 H new ATOM 0 HA ASP A 41 -1.596 4.972 6.812 1.00 43.31 H new ATOM 0 HB2 ASP A 41 -2.786 4.025 9.471 1.00 22.30 H new ATOM 0 HB3 ASP A 41 -1.138 4.593 9.290 1.00 22.30 H new ATOM 656 N PHE A 42 -2.274 1.798 7.517 1.00 41.02 N ATOM 657 CA PHE A 42 -1.793 0.398 7.459 1.00 50.12 C ATOM 658 C PHE A 42 -1.294 0.016 6.052 1.00 73.24 C ATOM 659 O PHE A 42 -0.260 -0.622 5.924 1.00 3.01 O ATOM 660 CB PHE A 42 -2.906 -0.597 7.906 1.00 14.21 C ATOM 661 CG PHE A 42 -2.479 -2.067 7.839 1.00 22.40 C ATOM 662 CD1 PHE A 42 -1.630 -2.600 8.802 1.00 60.44 C ATOM 663 CD2 PHE A 42 -2.897 -2.902 6.796 1.00 0.33 C ATOM 664 CE1 PHE A 42 -1.214 -3.912 8.733 1.00 24.23 C ATOM 665 CE2 PHE A 42 -2.483 -4.220 6.734 1.00 52.12 C ATOM 666 CZ PHE A 42 -1.638 -4.723 7.705 1.00 5.34 C ATOM 0 H PHE A 42 -3.262 1.879 7.757 1.00 41.02 H new ATOM 0 HA PHE A 42 -0.952 0.329 8.149 1.00 50.12 H new ATOM 0 HB2 PHE A 42 -3.204 -0.360 8.927 1.00 14.21 H new ATOM 0 HB3 PHE A 42 -3.784 -0.453 7.276 1.00 14.21 H new ATOM 0 HD1 PHE A 42 -1.291 -1.977 9.616 1.00 60.44 H new ATOM 0 HD2 PHE A 42 -3.551 -2.512 6.030 1.00 0.33 H new ATOM 0 HE1 PHE A 42 -0.552 -4.306 9.490 1.00 24.23 H new ATOM 0 HE2 PHE A 42 -2.820 -4.855 5.928 1.00 52.12 H new ATOM 0 HZ PHE A 42 -1.311 -5.751 7.657 1.00 5.34 H new ATOM 676 N PHE A 43 -2.049 0.407 5.014 1.00 64.23 N ATOM 677 CA PHE A 43 -1.761 0.012 3.609 1.00 11.41 C ATOM 678 C PHE A 43 -0.424 0.603 3.097 1.00 25.22 C ATOM 679 O PHE A 43 0.311 -0.057 2.355 1.00 44.21 O ATOM 680 CB PHE A 43 -2.943 0.414 2.689 1.00 55.04 C ATOM 681 CG PHE A 43 -4.288 -0.161 3.148 1.00 24.41 C ATOM 682 CD1 PHE A 43 -4.428 -1.525 3.412 1.00 41.44 C ATOM 683 CD2 PHE A 43 -5.397 0.660 3.347 1.00 74.33 C ATOM 684 CE1 PHE A 43 -5.628 -2.044 3.857 1.00 51.43 C ATOM 685 CE2 PHE A 43 -6.593 0.141 3.795 1.00 63.44 C ATOM 686 CZ PHE A 43 -6.708 -1.212 4.050 1.00 64.35 C ATOM 0 H PHE A 43 -2.872 1.001 5.113 1.00 64.23 H new ATOM 0 HA PHE A 43 -1.650 -1.072 3.584 1.00 11.41 H new ATOM 0 HB2 PHE A 43 -3.013 1.501 2.653 1.00 55.04 H new ATOM 0 HB3 PHE A 43 -2.737 0.074 1.674 1.00 55.04 H new ATOM 0 HD1 PHE A 43 -3.585 -2.184 3.266 1.00 41.44 H new ATOM 0 HD2 PHE A 43 -5.318 1.718 3.147 1.00 74.33 H new ATOM 0 HE1 PHE A 43 -5.719 -3.102 4.054 1.00 51.43 H new ATOM 0 HE2 PHE A 43 -7.441 0.793 3.947 1.00 63.44 H new ATOM 0 HZ PHE A 43 -7.646 -1.617 4.401 1.00 64.35 H new ATOM 696 N LEU A 44 -0.109 1.840 3.527 1.00 64.30 N ATOM 697 CA LEU A 44 1.182 2.503 3.208 1.00 25.31 C ATOM 698 C LEU A 44 2.355 1.852 3.996 1.00 10.33 C ATOM 699 O LEU A 44 3.454 1.683 3.454 1.00 54.44 O ATOM 700 CB LEU A 44 1.096 4.040 3.482 1.00 62.30 C ATOM 701 CG LEU A 44 0.413 4.907 2.363 1.00 1.51 C ATOM 702 CD1 LEU A 44 -1.062 4.509 2.121 1.00 43.05 C ATOM 703 CD2 LEU A 44 0.539 6.422 2.668 1.00 12.14 C ATOM 0 H LEU A 44 -0.732 2.408 4.101 1.00 64.30 H new ATOM 0 HA LEU A 44 1.383 2.363 2.146 1.00 25.31 H new ATOM 0 HB2 LEU A 44 0.551 4.192 4.414 1.00 62.30 H new ATOM 0 HB3 LEU A 44 2.107 4.417 3.639 1.00 62.30 H new ATOM 0 HG LEU A 44 0.951 4.700 1.438 1.00 1.51 H new ATOM 0 HD11 LEU A 44 -1.485 5.139 1.339 1.00 43.05 H new ATOM 0 HD12 LEU A 44 -1.111 3.465 1.812 1.00 43.05 H new ATOM 0 HD13 LEU A 44 -1.631 4.642 3.041 1.00 43.05 H new ATOM 0 HD21 LEU A 44 0.057 6.994 1.875 1.00 12.14 H new ATOM 0 HD22 LEU A 44 0.056 6.643 3.620 1.00 12.14 H new ATOM 0 HD23 LEU A 44 1.593 6.696 2.723 1.00 12.14 H new ATOM 715 N GLY A 45 2.091 1.469 5.267 1.00 53.11 N ATOM 716 CA GLY A 45 3.082 0.755 6.098 1.00 40.33 C ATOM 717 C GLY A 45 3.417 -0.647 5.558 1.00 3.33 C ATOM 718 O GLY A 45 4.583 -1.014 5.435 1.00 33.32 O ATOM 0 H GLY A 45 1.202 1.643 5.736 1.00 53.11 H new ATOM 0 HA2 GLY A 45 3.996 1.346 6.153 1.00 40.33 H new ATOM 0 HA3 GLY A 45 2.699 0.665 7.115 1.00 40.33 H new ATOM 722 N LEU A 46 2.369 -1.400 5.193 1.00 54.32 N ATOM 723 CA LEU A 46 2.469 -2.768 4.624 1.00 54.21 C ATOM 724 C LEU A 46 3.181 -2.760 3.246 1.00 2.32 C ATOM 725 O LEU A 46 3.872 -3.720 2.886 1.00 24.31 O ATOM 726 CB LEU A 46 1.047 -3.388 4.496 1.00 24.31 C ATOM 727 CG LEU A 46 0.960 -4.807 3.838 1.00 61.20 C ATOM 728 CD1 LEU A 46 1.755 -5.859 4.643 1.00 34.12 C ATOM 729 CD2 LEU A 46 -0.512 -5.243 3.643 1.00 72.25 C ATOM 0 H LEU A 46 1.406 -1.076 5.284 1.00 54.32 H new ATOM 0 HA LEU A 46 3.070 -3.376 5.300 1.00 54.21 H new ATOM 0 HB2 LEU A 46 0.609 -3.447 5.493 1.00 24.31 H new ATOM 0 HB3 LEU A 46 0.428 -2.704 3.916 1.00 24.31 H new ATOM 0 HG LEU A 46 1.421 -4.738 2.853 1.00 61.20 H new ATOM 0 HD11 LEU A 46 1.671 -6.830 4.155 1.00 34.12 H new ATOM 0 HD12 LEU A 46 2.804 -5.566 4.689 1.00 34.12 H new ATOM 0 HD13 LEU A 46 1.352 -5.924 5.654 1.00 34.12 H new ATOM 0 HD21 LEU A 46 -0.541 -6.231 3.184 1.00 72.25 H new ATOM 0 HD22 LEU A 46 -1.013 -5.277 4.611 1.00 72.25 H new ATOM 0 HD23 LEU A 46 -1.021 -4.528 2.996 1.00 72.25 H new ATOM 741 N GLY A 47 3.017 -1.657 2.504 1.00 62.34 N ATOM 742 CA GLY A 47 3.689 -1.471 1.207 1.00 0.23 C ATOM 743 C GLY A 47 5.214 -1.380 1.349 1.00 2.40 C ATOM 744 O GLY A 47 5.966 -1.821 0.473 1.00 51.31 O ATOM 0 H GLY A 47 2.422 -0.875 2.780 1.00 62.34 H new ATOM 0 HA2 GLY A 47 3.437 -2.301 0.547 1.00 0.23 H new ATOM 0 HA3 GLY A 47 3.316 -0.563 0.734 1.00 0.23 H new ATOM 748 N TRP A 48 5.655 -0.802 2.482 1.00 73.02 N ATOM 749 CA TRP A 48 7.079 -0.696 2.852 1.00 12.52 C ATOM 750 C TRP A 48 7.629 -2.046 3.407 1.00 2.23 C ATOM 751 O TRP A 48 8.816 -2.362 3.246 1.00 61.50 O ATOM 752 CB TRP A 48 7.266 0.438 3.886 1.00 42.23 C ATOM 753 CG TRP A 48 8.648 1.036 3.883 1.00 60.11 C ATOM 754 CD1 TRP A 48 9.772 0.584 4.512 1.00 14.25 C ATOM 755 CD2 TRP A 48 9.026 2.206 3.177 1.00 64.13 C ATOM 756 NE1 TRP A 48 10.833 1.407 4.218 1.00 12.20 N ATOM 757 CE2 TRP A 48 10.393 2.420 3.402 1.00 73.35 C ATOM 758 CE3 TRP A 48 8.320 3.094 2.375 1.00 12.23 C ATOM 759 CZ2 TRP A 48 11.075 3.495 2.831 1.00 35.42 C ATOM 760 CZ3 TRP A 48 8.983 4.151 1.817 1.00 54.23 C ATOM 761 CH2 TRP A 48 10.349 4.357 2.038 1.00 42.33 C ATOM 0 H TRP A 48 5.027 -0.392 3.173 1.00 73.02 H new ATOM 0 HA TRP A 48 7.650 -0.459 1.954 1.00 12.52 H new ATOM 0 HB2 TRP A 48 6.539 1.225 3.685 1.00 42.23 H new ATOM 0 HB3 TRP A 48 7.049 0.050 4.881 1.00 42.23 H new ATOM 0 HD1 TRP A 48 9.820 -0.289 5.146 1.00 14.25 H new ATOM 0 HE1 TRP A 48 11.789 1.285 4.551 1.00 12.20 H new ATOM 0 HE3 TRP A 48 7.265 2.951 2.195 1.00 12.23 H new ATOM 0 HZ2 TRP A 48 12.130 3.646 3.004 1.00 35.42 H new ATOM 0 HZ3 TRP A 48 8.440 4.843 1.191 1.00 54.23 H new ATOM 0 HH2 TRP A 48 10.841 5.203 1.581 1.00 42.33 H new ATOM 772 N LEU A 49 6.757 -2.817 4.085 1.00 65.04 N ATOM 773 CA LEU A 49 7.058 -4.218 4.500 1.00 41.35 C ATOM 774 C LEU A 49 7.403 -5.100 3.268 1.00 44.43 C ATOM 775 O LEU A 49 8.373 -5.863 3.285 1.00 54.54 O ATOM 776 CB LEU A 49 5.842 -4.828 5.272 1.00 44.32 C ATOM 777 CG LEU A 49 5.801 -4.648 6.823 1.00 70.13 C ATOM 778 CD1 LEU A 49 6.003 -3.197 7.239 1.00 44.25 C ATOM 779 CD2 LEU A 49 4.475 -5.198 7.402 1.00 50.14 C ATOM 0 H LEU A 49 5.829 -2.498 4.363 1.00 65.04 H new ATOM 0 HA LEU A 49 7.925 -4.197 5.161 1.00 41.35 H new ATOM 0 HB2 LEU A 49 4.931 -4.393 4.860 1.00 44.32 H new ATOM 0 HB3 LEU A 49 5.811 -5.896 5.058 1.00 44.32 H new ATOM 0 HG LEU A 49 6.631 -5.222 7.234 1.00 70.13 H new ATOM 0 HD11 LEU A 49 5.967 -3.122 8.326 1.00 44.25 H new ATOM 0 HD12 LEU A 49 6.972 -2.848 6.883 1.00 44.25 H new ATOM 0 HD13 LEU A 49 5.215 -2.581 6.806 1.00 44.25 H new ATOM 0 HD21 LEU A 49 4.467 -5.063 8.484 1.00 50.14 H new ATOM 0 HD22 LEU A 49 3.635 -4.660 6.963 1.00 50.14 H new ATOM 0 HD23 LEU A 49 4.388 -6.259 7.168 1.00 50.14 H new ATOM 791 N LEU A 50 6.572 -4.966 2.217 1.00 51.33 N ATOM 792 CA LEU A 50 6.763 -5.648 0.918 1.00 50.34 C ATOM 793 C LEU A 50 7.972 -5.066 0.143 1.00 22.14 C ATOM 794 O LEU A 50 8.643 -5.795 -0.589 1.00 1.45 O ATOM 795 CB LEU A 50 5.470 -5.544 0.059 1.00 22.55 C ATOM 796 CG LEU A 50 4.194 -6.222 0.663 1.00 31.04 C ATOM 797 CD1 LEU A 50 2.953 -6.001 -0.237 1.00 62.51 C ATOM 798 CD2 LEU A 50 4.433 -7.726 0.936 1.00 41.20 C ATOM 0 H LEU A 50 5.740 -4.376 2.244 1.00 51.33 H new ATOM 0 HA LEU A 50 6.972 -6.698 1.121 1.00 50.34 H new ATOM 0 HB2 LEU A 50 5.253 -4.489 -0.110 1.00 22.55 H new ATOM 0 HB3 LEU A 50 5.668 -5.989 -0.916 1.00 22.55 H new ATOM 0 HG LEU A 50 3.991 -5.742 1.620 1.00 31.04 H new ATOM 0 HD11 LEU A 50 2.086 -6.485 0.213 1.00 62.51 H new ATOM 0 HD12 LEU A 50 2.761 -4.933 -0.336 1.00 62.51 H new ATOM 0 HD13 LEU A 50 3.137 -6.430 -1.222 1.00 62.51 H new ATOM 0 HD21 LEU A 50 3.529 -8.168 1.355 1.00 41.20 H new ATOM 0 HD22 LEU A 50 4.684 -8.230 0.003 1.00 41.20 H new ATOM 0 HD23 LEU A 50 5.254 -7.841 1.643 1.00 41.20 H new ATOM 810 N ARG A 51 8.208 -3.742 0.302 1.00 42.42 N ATOM 811 CA ARG A 51 9.360 -3.022 -0.311 1.00 20.22 C ATOM 812 C ARG A 51 10.715 -3.661 0.047 1.00 1.24 C ATOM 813 O ARG A 51 11.546 -3.928 -0.829 1.00 25.55 O ATOM 814 CB ARG A 51 9.353 -1.533 0.147 1.00 11.24 C ATOM 815 CG ARG A 51 10.616 -0.714 -0.211 1.00 41.01 C ATOM 816 CD ARG A 51 10.458 0.788 0.046 1.00 40.33 C ATOM 817 NE ARG A 51 11.690 1.521 -0.289 1.00 71.54 N ATOM 818 CZ ARG A 51 11.755 2.708 -0.836 1.00 63.11 C ATOM 819 NH1 ARG A 51 10.681 3.373 -1.143 1.00 24.51 N ATOM 820 NH2 ARG A 51 12.905 3.231 -1.069 1.00 23.35 N ATOM 0 H ARG A 51 7.605 -3.137 0.860 1.00 42.42 H new ATOM 0 HA ARG A 51 9.242 -3.089 -1.393 1.00 20.22 H new ATOM 0 HB2 ARG A 51 8.486 -1.041 -0.294 1.00 11.24 H new ATOM 0 HB3 ARG A 51 9.219 -1.505 1.228 1.00 11.24 H new ATOM 0 HG2 ARG A 51 11.459 -1.088 0.369 1.00 41.01 H new ATOM 0 HG3 ARG A 51 10.857 -0.872 -1.262 1.00 41.01 H new ATOM 0 HD2 ARG A 51 9.629 1.175 -0.547 1.00 40.33 H new ATOM 0 HD3 ARG A 51 10.206 0.955 1.093 1.00 40.33 H new ATOM 0 HE ARG A 51 12.575 1.061 -0.075 1.00 71.54 H new ATOM 0 HH11 ARG A 51 9.762 2.971 -0.958 1.00 24.51 H new ATOM 0 HH12 ARG A 51 10.757 4.297 -1.569 1.00 24.51 H new ATOM 0 HH21 ARG A 51 13.755 2.722 -0.828 1.00 23.35 H new ATOM 0 HH22 ARG A 51 12.968 4.156 -1.495 1.00 23.35 H new ATOM 834 N GLU A 52 10.915 -3.901 1.349 1.00 41.34 N ATOM 835 CA GLU A 52 12.174 -4.453 1.876 1.00 1.45 C ATOM 836 C GLU A 52 12.091 -5.989 2.019 1.00 62.04 C ATOM 837 O GLU A 52 13.102 -6.638 2.326 1.00 52.13 O ATOM 838 CB GLU A 52 12.502 -3.766 3.230 1.00 4.54 C ATOM 839 CG GLU A 52 12.496 -2.221 3.172 1.00 33.35 C ATOM 840 CD GLU A 52 12.969 -1.550 4.477 1.00 20.43 C ATOM 841 OE1 GLU A 52 12.179 -1.461 5.442 1.00 24.22 O ATOM 842 OE2 GLU A 52 14.133 -1.095 4.544 1.00 61.24 O ATOM 0 H GLU A 52 10.213 -3.720 2.066 1.00 41.34 H new ATOM 0 HA GLU A 52 12.982 -4.248 1.174 1.00 1.45 H new ATOM 0 HB2 GLU A 52 11.778 -4.094 3.976 1.00 4.54 H new ATOM 0 HB3 GLU A 52 13.482 -4.102 3.568 1.00 4.54 H new ATOM 0 HG2 GLU A 52 13.137 -1.894 2.353 1.00 33.35 H new ATOM 0 HG3 GLU A 52 11.487 -1.879 2.943 1.00 33.35 H new ATOM 849 N ASP A 53 10.868 -6.551 1.791 1.00 34.13 N ATOM 850 CA ASP A 53 10.572 -8.005 1.886 1.00 25.12 C ATOM 851 C ASP A 53 10.882 -8.553 3.298 1.00 4.21 C ATOM 852 O ASP A 53 11.306 -9.700 3.468 1.00 44.22 O ATOM 853 CB ASP A 53 11.297 -8.797 0.773 1.00 2.32 C ATOM 854 CG ASP A 53 10.819 -8.392 -0.635 1.00 10.15 C ATOM 855 OD1 ASP A 53 11.374 -7.431 -1.212 1.00 10.15 O ATOM 856 OD2 ASP A 53 9.882 -9.031 -1.170 1.00 54.22 O ATOM 0 H ASP A 53 10.052 -5.996 1.533 1.00 34.13 H new ATOM 0 HA ASP A 53 9.503 -8.142 1.726 1.00 25.12 H new ATOM 0 HB2 ASP A 53 12.371 -8.631 0.852 1.00 2.32 H new ATOM 0 HB3 ASP A 53 11.128 -9.864 0.919 1.00 2.32 H new ATOM 861 N LYS A 54 10.614 -7.706 4.310 1.00 13.32 N ATOM 862 CA LYS A 54 10.779 -8.050 5.740 1.00 63.33 C ATOM 863 C LYS A 54 9.679 -9.029 6.208 1.00 13.42 C ATOM 864 O LYS A 54 9.815 -9.692 7.245 1.00 25.21 O ATOM 865 CB LYS A 54 10.721 -6.759 6.597 1.00 62.03 C ATOM 866 CG LYS A 54 11.786 -5.699 6.251 1.00 31.14 C ATOM 867 CD LYS A 54 11.692 -4.420 7.127 1.00 12.22 C ATOM 868 CE LYS A 54 10.328 -3.705 7.027 1.00 72.23 C ATOM 869 NZ LYS A 54 10.344 -2.388 7.716 1.00 72.22 N ATOM 0 H LYS A 54 10.274 -6.756 4.160 1.00 13.32 H new ATOM 0 HA LYS A 54 11.747 -8.535 5.864 1.00 63.33 H new ATOM 0 HB2 LYS A 54 9.734 -6.311 6.485 1.00 62.03 H new ATOM 0 HB3 LYS A 54 10.830 -7.032 7.647 1.00 62.03 H new ATOM 0 HG2 LYS A 54 12.777 -6.138 6.368 1.00 31.14 H new ATOM 0 HG3 LYS A 54 11.683 -5.420 5.202 1.00 31.14 H new ATOM 0 HD2 LYS A 54 11.878 -4.687 8.167 1.00 12.22 H new ATOM 0 HD3 LYS A 54 12.479 -3.727 6.830 1.00 12.22 H new ATOM 0 HE2 LYS A 54 10.068 -3.563 5.978 1.00 72.23 H new ATOM 0 HE3 LYS A 54 9.554 -4.335 7.465 1.00 72.23 H new ATOM 0 HZ1 LYS A 54 9.373 -2.023 7.790 1.00 72.22 H new ATOM 0 HZ2 LYS A 54 10.746 -2.499 8.669 1.00 72.22 H new ATOM 0 HZ3 LYS A 54 10.924 -1.718 7.172 1.00 72.22 H new ATOM 883 N VAL A 55 8.584 -9.107 5.424 1.00 10.42 N ATOM 884 CA VAL A 55 7.440 -9.998 5.704 1.00 55.13 C ATOM 885 C VAL A 55 7.080 -10.830 4.452 1.00 20.05 C ATOM 886 O VAL A 55 7.556 -10.559 3.344 1.00 12.41 O ATOM 887 CB VAL A 55 6.149 -9.211 6.175 1.00 41.22 C ATOM 888 CG1 VAL A 55 6.433 -8.342 7.423 1.00 21.12 C ATOM 889 CG2 VAL A 55 5.528 -8.380 5.023 1.00 72.10 C ATOM 0 H VAL A 55 8.468 -8.552 4.576 1.00 10.42 H new ATOM 0 HA VAL A 55 7.757 -10.650 6.518 1.00 55.13 H new ATOM 0 HB VAL A 55 5.408 -9.956 6.465 1.00 41.22 H new ATOM 0 HG11 VAL A 55 5.523 -7.818 7.716 1.00 21.12 H new ATOM 0 HG12 VAL A 55 6.764 -8.980 8.243 1.00 21.12 H new ATOM 0 HG13 VAL A 55 7.212 -7.616 7.191 1.00 21.12 H new ATOM 0 HG21 VAL A 55 4.645 -7.856 5.388 1.00 72.10 H new ATOM 0 HG22 VAL A 55 6.258 -7.655 4.663 1.00 72.10 H new ATOM 0 HG23 VAL A 55 5.244 -9.045 4.207 1.00 72.10 H new ATOM 899 N VAL A 56 6.222 -11.833 4.661 1.00 31.34 N ATOM 900 CA VAL A 56 5.545 -12.594 3.598 1.00 74.04 C ATOM 901 C VAL A 56 4.039 -12.652 3.911 1.00 74.43 C ATOM 902 O VAL A 56 3.634 -12.809 5.067 1.00 64.31 O ATOM 903 CB VAL A 56 6.145 -14.042 3.382 1.00 23.11 C ATOM 904 CG1 VAL A 56 7.514 -13.986 2.654 1.00 61.41 C ATOM 905 CG2 VAL A 56 6.266 -14.810 4.719 1.00 35.44 C ATOM 0 H VAL A 56 5.970 -12.149 5.598 1.00 31.34 H new ATOM 0 HA VAL A 56 5.712 -12.073 2.655 1.00 74.04 H new ATOM 0 HB VAL A 56 5.448 -14.587 2.745 1.00 23.11 H new ATOM 0 HG11 VAL A 56 7.898 -14.998 2.522 1.00 61.41 H new ATOM 0 HG12 VAL A 56 7.389 -13.515 1.679 1.00 61.41 H new ATOM 0 HG13 VAL A 56 8.219 -13.406 3.249 1.00 61.41 H new ATOM 0 HG21 VAL A 56 6.682 -15.800 4.533 1.00 35.44 H new ATOM 0 HG22 VAL A 56 6.922 -14.262 5.395 1.00 35.44 H new ATOM 0 HG23 VAL A 56 5.280 -14.909 5.172 1.00 35.44 H new ATOM 915 N THR A 57 3.213 -12.498 2.872 1.00 43.53 N ATOM 916 CA THR A 57 1.755 -12.308 3.018 1.00 54.11 C ATOM 917 C THR A 57 0.974 -13.549 2.540 1.00 45.11 C ATOM 918 O THR A 57 1.235 -14.084 1.463 1.00 32.20 O ATOM 919 CB THR A 57 1.287 -11.046 2.219 1.00 60.23 C ATOM 920 OG1 THR A 57 1.712 -11.143 0.839 1.00 2.42 O ATOM 921 CG2 THR A 57 1.829 -9.735 2.832 1.00 33.00 C ATOM 0 H THR A 57 3.530 -12.501 1.903 1.00 43.53 H new ATOM 0 HA THR A 57 1.546 -12.162 4.078 1.00 54.11 H new ATOM 0 HB THR A 57 0.199 -11.017 2.273 1.00 60.23 H new ATOM 0 HG1 THR A 57 1.860 -10.244 0.478 1.00 2.42 H new ATOM 0 HG21 THR A 57 1.478 -8.886 2.244 1.00 33.00 H new ATOM 0 HG22 THR A 57 1.473 -9.638 3.858 1.00 33.00 H new ATOM 0 HG23 THR A 57 2.919 -9.754 2.827 1.00 33.00 H new ATOM 929 N SER A 58 0.010 -13.986 3.359 1.00 53.13 N ATOM 930 CA SER A 58 -0.897 -15.117 3.047 1.00 61.30 C ATOM 931 C SER A 58 -2.340 -14.603 2.942 1.00 71.32 C ATOM 932 O SER A 58 -2.774 -13.783 3.765 1.00 34.51 O ATOM 933 CB SER A 58 -0.795 -16.212 4.138 1.00 55.42 C ATOM 934 OG SER A 58 0.535 -16.686 4.279 1.00 24.14 O ATOM 0 H SER A 58 -0.171 -13.565 4.270 1.00 53.13 H new ATOM 0 HA SER A 58 -0.602 -15.557 2.094 1.00 61.30 H new ATOM 0 HB2 SER A 58 -1.142 -15.811 5.090 1.00 55.42 H new ATOM 0 HB3 SER A 58 -1.453 -17.043 3.883 1.00 55.42 H new ATOM 0 HG SER A 58 0.565 -17.374 4.976 1.00 24.14 H new ATOM 940 N GLU A 59 -3.093 -15.088 1.942 1.00 44.14 N ATOM 941 CA GLU A 59 -4.456 -14.594 1.664 1.00 35.23 C ATOM 942 C GLU A 59 -5.471 -15.521 2.344 1.00 52.30 C ATOM 943 O GLU A 59 -5.770 -16.619 1.856 1.00 3.21 O ATOM 944 CB GLU A 59 -4.690 -14.485 0.133 1.00 54.52 C ATOM 945 CG GLU A 59 -5.947 -13.683 -0.270 1.00 20.25 C ATOM 946 CD GLU A 59 -6.065 -13.466 -1.791 1.00 30.10 C ATOM 947 OE1 GLU A 59 -5.197 -12.769 -2.369 1.00 73.03 O ATOM 948 OE2 GLU A 59 -7.006 -14.004 -2.424 1.00 73.13 O ATOM 0 H GLU A 59 -2.782 -15.825 1.309 1.00 44.14 H new ATOM 0 HA GLU A 59 -4.584 -13.592 2.073 1.00 35.23 H new ATOM 0 HB2 GLU A 59 -3.816 -14.019 -0.323 1.00 54.52 H new ATOM 0 HB3 GLU A 59 -4.768 -15.490 -0.282 1.00 54.52 H new ATOM 0 HG2 GLU A 59 -6.834 -14.207 0.086 1.00 20.25 H new ATOM 0 HG3 GLU A 59 -5.927 -12.714 0.229 1.00 20.25 H new ATOM 955 N VAL A 60 -5.985 -15.060 3.496 1.00 51.33 N ATOM 956 CA VAL A 60 -6.789 -15.870 4.422 1.00 40.44 C ATOM 957 C VAL A 60 -8.175 -15.227 4.628 1.00 41.34 C ATOM 958 O VAL A 60 -8.276 -14.134 5.191 1.00 62.32 O ATOM 959 CB VAL A 60 -6.043 -16.041 5.808 1.00 63.34 C ATOM 960 CG1 VAL A 60 -6.914 -16.776 6.857 1.00 1.34 C ATOM 961 CG2 VAL A 60 -4.694 -16.774 5.616 1.00 71.24 C ATOM 0 H VAL A 60 -5.851 -14.100 3.814 1.00 51.33 H new ATOM 0 HA VAL A 60 -6.926 -16.860 3.986 1.00 40.44 H new ATOM 0 HB VAL A 60 -5.850 -15.039 6.192 1.00 63.34 H new ATOM 0 HG11 VAL A 60 -6.359 -16.869 7.790 1.00 1.34 H new ATOM 0 HG12 VAL A 60 -7.828 -16.208 7.033 1.00 1.34 H new ATOM 0 HG13 VAL A 60 -7.169 -17.769 6.487 1.00 1.34 H new ATOM 0 HG21 VAL A 60 -4.198 -16.881 6.580 1.00 71.24 H new ATOM 0 HG22 VAL A 60 -4.874 -17.761 5.189 1.00 71.24 H new ATOM 0 HG23 VAL A 60 -4.059 -16.197 4.943 1.00 71.24 H new ATOM 971 N GLU A 61 -9.226 -15.937 4.156 1.00 71.04 N ATOM 972 CA GLU A 61 -10.655 -15.539 4.291 1.00 41.24 C ATOM 973 C GLU A 61 -10.967 -14.173 3.604 1.00 30.51 C ATOM 974 O GLU A 61 -11.888 -13.454 4.015 1.00 11.15 O ATOM 975 CB GLU A 61 -11.061 -15.519 5.805 1.00 52.35 C ATOM 976 CG GLU A 61 -10.669 -16.789 6.590 1.00 40.33 C ATOM 977 CD GLU A 61 -11.208 -16.803 8.031 1.00 33.23 C ATOM 978 OE1 GLU A 61 -10.553 -16.223 8.924 1.00 61.31 O ATOM 979 OE2 GLU A 61 -12.287 -17.391 8.277 1.00 30.23 O ATOM 0 H GLU A 61 -9.107 -16.820 3.660 1.00 71.04 H new ATOM 0 HA GLU A 61 -11.256 -16.284 3.769 1.00 41.24 H new ATOM 0 HB2 GLU A 61 -10.597 -14.655 6.281 1.00 52.35 H new ATOM 0 HB3 GLU A 61 -12.140 -15.381 5.877 1.00 52.35 H new ATOM 0 HG2 GLU A 61 -11.043 -17.665 6.061 1.00 40.33 H new ATOM 0 HG3 GLU A 61 -9.582 -16.872 6.615 1.00 40.33 H new ATOM 986 N GLY A 62 -10.225 -13.859 2.515 1.00 11.34 N ATOM 987 CA GLY A 62 -10.303 -12.539 1.849 1.00 53.23 C ATOM 988 C GLY A 62 -9.650 -11.381 2.632 1.00 4.54 C ATOM 989 O GLY A 62 -9.660 -10.233 2.174 1.00 25.40 O ATOM 0 H GLY A 62 -9.565 -14.504 2.080 1.00 11.34 H new ATOM 0 HA2 GLY A 62 -9.827 -12.612 0.871 1.00 53.23 H new ATOM 0 HA3 GLY A 62 -11.351 -12.296 1.676 1.00 53.23 H new ATOM 993 N GLU A 63 -9.091 -11.686 3.811 1.00 33.14 N ATOM 994 CA GLU A 63 -8.463 -10.694 4.706 1.00 43.32 C ATOM 995 C GLU A 63 -6.929 -10.687 4.540 1.00 41.12 C ATOM 996 O GLU A 63 -6.322 -11.689 4.122 1.00 45.13 O ATOM 997 CB GLU A 63 -8.835 -11.011 6.185 1.00 43.33 C ATOM 998 CG GLU A 63 -10.345 -10.965 6.510 1.00 24.00 C ATOM 999 CD GLU A 63 -10.961 -9.557 6.374 1.00 0.51 C ATOM 1000 OE1 GLU A 63 -10.881 -8.757 7.342 1.00 60.12 O ATOM 1001 OE2 GLU A 63 -11.521 -9.232 5.302 1.00 33.34 O ATOM 0 H GLU A 63 -9.060 -12.637 4.178 1.00 33.14 H new ATOM 0 HA GLU A 63 -8.837 -9.706 4.439 1.00 43.32 H new ATOM 0 HB2 GLU A 63 -8.457 -12.003 6.433 1.00 43.33 H new ATOM 0 HB3 GLU A 63 -8.319 -10.302 6.832 1.00 43.33 H new ATOM 0 HG2 GLU A 63 -10.873 -11.649 5.846 1.00 24.00 H new ATOM 0 HG3 GLU A 63 -10.501 -11.324 7.527 1.00 24.00 H new ATOM 1008 N ILE A 64 -6.324 -9.540 4.873 1.00 42.44 N ATOM 1009 CA ILE A 64 -4.868 -9.372 4.912 1.00 62.25 C ATOM 1010 C ILE A 64 -4.274 -10.074 6.157 1.00 73.24 C ATOM 1011 O ILE A 64 -4.429 -9.599 7.290 1.00 40.03 O ATOM 1012 CB ILE A 64 -4.466 -7.841 4.904 1.00 24.31 C ATOM 1013 CG1 ILE A 64 -4.977 -7.140 3.596 1.00 31.51 C ATOM 1014 CG2 ILE A 64 -2.937 -7.647 5.092 1.00 33.11 C ATOM 1015 CD1 ILE A 64 -4.580 -5.674 3.439 1.00 33.11 C ATOM 0 H ILE A 64 -6.837 -8.695 5.125 1.00 42.44 H new ATOM 0 HA ILE A 64 -4.456 -9.835 4.015 1.00 62.25 H new ATOM 0 HB ILE A 64 -4.953 -7.365 5.755 1.00 24.31 H new ATOM 0 HG12 ILE A 64 -4.601 -7.695 2.736 1.00 31.51 H new ATOM 0 HG13 ILE A 64 -6.064 -7.209 3.568 1.00 31.51 H new ATOM 0 HG21 ILE A 64 -2.701 -6.583 5.081 1.00 33.11 H new ATOM 0 HG22 ILE A 64 -2.630 -8.077 6.046 1.00 33.11 H new ATOM 0 HG23 ILE A 64 -2.405 -8.145 4.282 1.00 33.11 H new ATOM 0 HD11 ILE A 64 -4.983 -5.286 2.504 1.00 33.11 H new ATOM 0 HD12 ILE A 64 -4.980 -5.097 4.273 1.00 33.11 H new ATOM 0 HD13 ILE A 64 -3.493 -5.591 3.428 1.00 33.11 H new ATOM 1027 N PHE A 65 -3.639 -11.233 5.927 1.00 64.52 N ATOM 1028 CA PHE A 65 -2.815 -11.921 6.935 1.00 15.40 C ATOM 1029 C PHE A 65 -1.332 -11.807 6.524 1.00 32.04 C ATOM 1030 O PHE A 65 -0.973 -12.064 5.370 1.00 72.25 O ATOM 1031 CB PHE A 65 -3.229 -13.411 7.088 1.00 71.54 C ATOM 1032 CG PHE A 65 -2.401 -14.183 8.126 1.00 4.25 C ATOM 1033 CD1 PHE A 65 -2.603 -13.983 9.490 1.00 2.12 C ATOM 1034 CD2 PHE A 65 -1.405 -15.083 7.735 1.00 23.10 C ATOM 1035 CE1 PHE A 65 -1.847 -14.662 10.427 1.00 12.11 C ATOM 1036 CE2 PHE A 65 -0.649 -15.756 8.673 1.00 10.43 C ATOM 1037 CZ PHE A 65 -0.868 -15.545 10.019 1.00 30.10 C ATOM 0 H PHE A 65 -3.682 -11.722 5.033 1.00 64.52 H new ATOM 0 HA PHE A 65 -2.969 -11.446 7.904 1.00 15.40 H new ATOM 0 HB2 PHE A 65 -4.281 -13.459 7.369 1.00 71.54 H new ATOM 0 HB3 PHE A 65 -3.134 -13.905 6.121 1.00 71.54 H new ATOM 0 HD1 PHE A 65 -3.361 -13.288 9.820 1.00 2.12 H new ATOM 0 HD2 PHE A 65 -1.225 -15.254 6.684 1.00 23.10 H new ATOM 0 HE1 PHE A 65 -2.023 -14.501 11.480 1.00 12.11 H new ATOM 0 HE2 PHE A 65 0.115 -16.449 8.353 1.00 10.43 H new ATOM 0 HZ PHE A 65 -0.274 -16.070 10.752 1.00 30.10 H new ATOM 1047 N VAL A 66 -0.478 -11.408 7.471 1.00 34.22 N ATOM 1048 CA VAL A 66 0.974 -11.239 7.243 1.00 13.21 C ATOM 1049 C VAL A 66 1.774 -12.058 8.277 1.00 43.31 C ATOM 1050 O VAL A 66 1.250 -12.420 9.335 1.00 23.05 O ATOM 1051 CB VAL A 66 1.392 -9.716 7.317 1.00 23.34 C ATOM 1052 CG1 VAL A 66 0.580 -8.860 6.315 1.00 22.02 C ATOM 1053 CG2 VAL A 66 1.254 -9.156 8.750 1.00 51.21 C ATOM 0 H VAL A 66 -0.768 -11.190 8.424 1.00 34.22 H new ATOM 0 HA VAL A 66 1.202 -11.605 6.242 1.00 13.21 H new ATOM 0 HB VAL A 66 2.444 -9.659 7.037 1.00 23.34 H new ATOM 0 HG11 VAL A 66 0.891 -7.818 6.391 1.00 22.02 H new ATOM 0 HG12 VAL A 66 0.758 -9.219 5.301 1.00 22.02 H new ATOM 0 HG13 VAL A 66 -0.482 -8.939 6.546 1.00 22.02 H new ATOM 0 HG21 VAL A 66 1.550 -8.107 8.761 1.00 51.21 H new ATOM 0 HG22 VAL A 66 0.218 -9.244 9.077 1.00 51.21 H new ATOM 0 HG23 VAL A 66 1.896 -9.721 9.425 1.00 51.21 H new ATOM 1063 N LYS A 67 3.036 -12.352 7.947 1.00 1.04 N ATOM 1064 CA LYS A 67 3.991 -13.032 8.859 1.00 12.43 C ATOM 1065 C LYS A 67 5.426 -12.625 8.494 1.00 11.34 C ATOM 1066 O LYS A 67 5.634 -12.042 7.450 1.00 20.12 O ATOM 1067 CB LYS A 67 3.823 -14.574 8.777 1.00 15.02 C ATOM 1068 CG LYS A 67 3.841 -15.147 7.346 1.00 3.34 C ATOM 1069 CD LYS A 67 3.916 -16.696 7.275 1.00 22.04 C ATOM 1070 CE LYS A 67 2.701 -17.422 7.894 1.00 64.23 C ATOM 1071 NZ LYS A 67 2.739 -17.474 9.386 1.00 35.14 N ATOM 0 H LYS A 67 3.436 -12.128 7.036 1.00 1.04 H new ATOM 0 HA LYS A 67 3.783 -12.726 9.884 1.00 12.43 H new ATOM 0 HB2 LYS A 67 4.620 -15.044 9.352 1.00 15.02 H new ATOM 0 HB3 LYS A 67 2.882 -14.849 9.253 1.00 15.02 H new ATOM 0 HG2 LYS A 67 2.944 -14.815 6.824 1.00 3.34 H new ATOM 0 HG3 LYS A 67 4.694 -14.729 6.811 1.00 3.34 H new ATOM 0 HD2 LYS A 67 4.010 -16.996 6.231 1.00 22.04 H new ATOM 0 HD3 LYS A 67 4.821 -17.028 7.785 1.00 22.04 H new ATOM 0 HE2 LYS A 67 1.787 -16.919 7.578 1.00 64.23 H new ATOM 0 HE3 LYS A 67 2.657 -18.439 7.503 1.00 64.23 H new ATOM 0 HZ1 LYS A 67 2.778 -18.465 9.698 1.00 35.14 H new ATOM 0 HZ2 LYS A 67 3.581 -16.969 9.730 1.00 35.14 H new ATOM 0 HZ3 LYS A 67 1.884 -17.023 9.771 1.00 35.14 H new ATOM 1085 N LEU A 68 6.419 -12.931 9.341 1.00 53.24 N ATOM 1086 CA LEU A 68 7.829 -12.575 9.041 1.00 15.43 C ATOM 1087 C LEU A 68 8.521 -13.627 8.151 1.00 41.45 C ATOM 1088 O LEU A 68 8.040 -14.754 7.989 1.00 23.44 O ATOM 1089 CB LEU A 68 8.654 -12.362 10.340 1.00 61.32 C ATOM 1090 CG LEU A 68 8.203 -11.186 11.267 1.00 52.05 C ATOM 1091 CD1 LEU A 68 9.246 -10.922 12.369 1.00 50.12 C ATOM 1092 CD2 LEU A 68 7.914 -9.900 10.465 1.00 44.50 C ATOM 0 H LEU A 68 6.284 -13.416 10.228 1.00 53.24 H new ATOM 0 HA LEU A 68 7.793 -11.636 8.489 1.00 15.43 H new ATOM 0 HB2 LEU A 68 8.623 -13.285 10.919 1.00 61.32 H new ATOM 0 HB3 LEU A 68 9.694 -12.196 10.060 1.00 61.32 H new ATOM 0 HG LEU A 68 7.270 -11.489 11.743 1.00 52.05 H new ATOM 0 HD11 LEU A 68 8.909 -10.100 13.000 1.00 50.12 H new ATOM 0 HD12 LEU A 68 9.368 -11.819 12.976 1.00 50.12 H new ATOM 0 HD13 LEU A 68 10.200 -10.660 11.912 1.00 50.12 H new ATOM 0 HD21 LEU A 68 7.604 -9.108 11.147 1.00 44.50 H new ATOM 0 HD22 LEU A 68 8.815 -9.591 9.936 1.00 44.50 H new ATOM 0 HD23 LEU A 68 7.118 -10.091 9.745 1.00 44.50 H new ATOM 1104 N VAL A 69 9.661 -13.218 7.573 1.00 32.30 N ATOM 1105 CA VAL A 69 10.534 -14.101 6.778 1.00 15.42 C ATOM 1106 C VAL A 69 11.560 -14.801 7.705 1.00 3.53 C ATOM 1107 O VAL A 69 12.574 -14.204 8.095 1.00 64.15 O ATOM 1108 CB VAL A 69 11.280 -13.292 5.643 1.00 70.24 C ATOM 1109 CG1 VAL A 69 12.168 -14.207 4.758 1.00 73.03 C ATOM 1110 CG2 VAL A 69 10.271 -12.503 4.780 1.00 22.13 C ATOM 0 H VAL A 69 10.006 -12.261 7.643 1.00 32.30 H new ATOM 0 HA VAL A 69 9.913 -14.857 6.297 1.00 15.42 H new ATOM 0 HB VAL A 69 11.944 -12.583 6.137 1.00 70.24 H new ATOM 0 HG11 VAL A 69 12.660 -13.607 3.993 1.00 73.03 H new ATOM 0 HG12 VAL A 69 12.921 -14.693 5.378 1.00 73.03 H new ATOM 0 HG13 VAL A 69 11.547 -14.965 4.281 1.00 73.03 H new ATOM 0 HG21 VAL A 69 10.806 -11.954 4.005 1.00 22.13 H new ATOM 0 HG22 VAL A 69 9.570 -13.196 4.315 1.00 22.13 H new ATOM 0 HG23 VAL A 69 9.724 -11.802 5.410 1.00 22.13 H new ATOM 1302 N MET B 3 0.026 -15.113 -3.119 1.00 50.13 N ATOM 1303 CA MET B 3 0.379 -14.139 -2.058 1.00 34.11 C ATOM 1304 C MET B 3 -0.041 -12.709 -2.473 1.00 5.22 C ATOM 1305 O MET B 3 -0.046 -12.369 -3.669 1.00 42.02 O ATOM 1306 CB MET B 3 1.890 -14.206 -1.686 1.00 73.54 C ATOM 1307 CG MET B 3 2.881 -13.830 -2.788 1.00 44.21 C ATOM 1308 SD MET B 3 4.613 -14.079 -2.307 1.00 21.53 S ATOM 1309 CE MET B 3 4.736 -13.174 -0.758 1.00 63.13 C ATOM 0 HA MET B 3 -0.176 -14.410 -1.160 1.00 34.11 H new ATOM 0 HB2 MET B 3 2.061 -13.548 -0.834 1.00 73.54 H new ATOM 0 HB3 MET B 3 2.115 -15.220 -1.356 1.00 73.54 H new ATOM 0 HG2 MET B 3 2.669 -14.424 -3.677 1.00 44.21 H new ATOM 0 HG3 MET B 3 2.733 -12.785 -3.060 1.00 44.21 H new ATOM 0 HE1 MET B 3 5.785 -13.073 -0.478 1.00 63.13 H new ATOM 0 HE2 MET B 3 4.295 -12.184 -0.879 1.00 63.13 H new ATOM 0 HE3 MET B 3 4.203 -13.716 0.023 1.00 63.13 H new ATOM 1319 N LEU B 4 -0.402 -11.889 -1.463 1.00 32.31 N ATOM 1320 CA LEU B 4 -0.853 -10.480 -1.664 1.00 63.04 C ATOM 1321 C LEU B 4 0.156 -9.652 -2.485 1.00 72.11 C ATOM 1322 O LEU B 4 -0.242 -8.739 -3.201 1.00 3.52 O ATOM 1323 CB LEU B 4 -1.115 -9.755 -0.311 1.00 22.51 C ATOM 1324 CG LEU B 4 -2.387 -10.166 0.496 1.00 23.34 C ATOM 1325 CD1 LEU B 4 -2.357 -11.637 0.936 1.00 63.32 C ATOM 1326 CD2 LEU B 4 -2.565 -9.244 1.715 1.00 15.02 C ATOM 0 H LEU B 4 -0.392 -12.177 -0.484 1.00 32.31 H new ATOM 0 HA LEU B 4 -1.787 -10.550 -2.222 1.00 63.04 H new ATOM 0 HB2 LEU B 4 -0.246 -9.913 0.328 1.00 22.51 H new ATOM 0 HB3 LEU B 4 -1.175 -8.685 -0.509 1.00 22.51 H new ATOM 0 HG LEU B 4 -3.241 -10.053 -0.172 1.00 23.34 H new ATOM 0 HD11 LEU B 4 -3.265 -11.869 1.493 1.00 63.32 H new ATOM 0 HD12 LEU B 4 -2.297 -12.279 0.057 1.00 63.32 H new ATOM 0 HD13 LEU B 4 -1.488 -11.809 1.571 1.00 63.32 H new ATOM 0 HD21 LEU B 4 -3.455 -9.541 2.269 1.00 15.02 H new ATOM 0 HD22 LEU B 4 -1.691 -9.324 2.362 1.00 15.02 H new ATOM 0 HD23 LEU B 4 -2.674 -8.213 1.379 1.00 15.02 H new ATOM 1338 N LYS B 5 1.451 -9.997 -2.371 1.00 53.34 N ATOM 1339 CA LYS B 5 2.540 -9.266 -3.044 1.00 72.33 C ATOM 1340 C LYS B 5 2.446 -9.375 -4.598 1.00 73.11 C ATOM 1341 O LYS B 5 2.688 -8.399 -5.309 1.00 4.30 O ATOM 1342 CB LYS B 5 3.911 -9.786 -2.538 1.00 33.10 C ATOM 1343 CG LYS B 5 5.113 -8.881 -2.890 1.00 42.31 C ATOM 1344 CD LYS B 5 6.456 -9.386 -2.318 1.00 53.03 C ATOM 1345 CE LYS B 5 6.894 -10.738 -2.911 1.00 31.24 C ATOM 1346 NZ LYS B 5 8.196 -11.189 -2.359 1.00 22.14 N ATOM 0 H LYS B 5 1.771 -10.788 -1.812 1.00 53.34 H new ATOM 0 HA LYS B 5 2.440 -8.210 -2.794 1.00 72.33 H new ATOM 0 HB2 LYS B 5 3.864 -9.900 -1.455 1.00 33.10 H new ATOM 0 HB3 LYS B 5 4.085 -10.778 -2.956 1.00 33.10 H new ATOM 0 HG2 LYS B 5 5.195 -8.806 -3.974 1.00 42.31 H new ATOM 0 HG3 LYS B 5 4.923 -7.876 -2.514 1.00 42.31 H new ATOM 0 HD2 LYS B 5 7.229 -8.643 -2.512 1.00 53.03 H new ATOM 0 HD3 LYS B 5 6.370 -9.481 -1.236 1.00 53.03 H new ATOM 0 HE2 LYS B 5 6.132 -11.489 -2.704 1.00 31.24 H new ATOM 0 HE3 LYS B 5 6.970 -10.652 -3.995 1.00 31.24 H new ATOM 0 HZ1 LYS B 5 8.767 -11.612 -3.118 1.00 22.14 H new ATOM 0 HZ2 LYS B 5 8.703 -10.375 -1.957 1.00 22.14 H new ATOM 0 HZ3 LYS B 5 8.031 -11.896 -1.615 1.00 22.14 H new ATOM 1360 N GLU B 6 2.062 -10.568 -5.104 1.00 60.41 N ATOM 1361 CA GLU B 6 1.947 -10.831 -6.564 1.00 42.11 C ATOM 1362 C GLU B 6 0.815 -9.985 -7.200 1.00 23.01 C ATOM 1363 O GLU B 6 1.034 -9.283 -8.198 1.00 23.13 O ATOM 1364 CB GLU B 6 1.694 -12.341 -6.822 1.00 44.12 C ATOM 1365 CG GLU B 6 2.830 -13.270 -6.362 1.00 73.43 C ATOM 1366 CD GLU B 6 2.503 -14.764 -6.560 1.00 1.42 C ATOM 1367 OE1 GLU B 6 1.666 -15.308 -5.802 1.00 22.44 O ATOM 1368 OE2 GLU B 6 3.068 -15.398 -7.479 1.00 31.31 O ATOM 0 H GLU B 6 1.824 -11.371 -4.522 1.00 60.41 H new ATOM 0 HA GLU B 6 2.889 -10.543 -7.031 1.00 42.11 H new ATOM 0 HB2 GLU B 6 0.775 -12.634 -6.314 1.00 44.12 H new ATOM 0 HB3 GLU B 6 1.530 -12.491 -7.889 1.00 44.12 H new ATOM 0 HG2 GLU B 6 3.738 -13.026 -6.914 1.00 73.43 H new ATOM 0 HG3 GLU B 6 3.039 -13.086 -5.308 1.00 73.43 H new ATOM 1375 N LYS B 7 -0.388 -10.046 -6.594 1.00 41.13 N ATOM 1376 CA LYS B 7 -1.570 -9.299 -7.089 1.00 43.45 C ATOM 1377 C LYS B 7 -1.465 -7.777 -6.803 1.00 13.22 C ATOM 1378 O LYS B 7 -2.092 -6.983 -7.493 1.00 61.41 O ATOM 1379 CB LYS B 7 -2.898 -9.936 -6.555 1.00 70.42 C ATOM 1380 CG LYS B 7 -3.096 -9.995 -5.011 1.00 31.01 C ATOM 1381 CD LYS B 7 -3.723 -8.709 -4.409 1.00 44.31 C ATOM 1382 CE LYS B 7 -4.118 -8.888 -2.932 1.00 34.22 C ATOM 1383 NZ LYS B 7 -5.110 -9.982 -2.735 1.00 64.13 N ATOM 0 H LYS B 7 -0.570 -10.604 -5.760 1.00 41.13 H new ATOM 0 HA LYS B 7 -1.591 -9.388 -8.175 1.00 43.45 H new ATOM 0 HB2 LYS B 7 -3.733 -9.379 -6.980 1.00 70.42 H new ATOM 0 HB3 LYS B 7 -2.963 -10.953 -6.942 1.00 70.42 H new ATOM 0 HG2 LYS B 7 -3.732 -10.846 -4.768 1.00 31.01 H new ATOM 0 HG3 LYS B 7 -2.131 -10.173 -4.537 1.00 31.01 H new ATOM 0 HD2 LYS B 7 -3.013 -7.886 -4.496 1.00 44.31 H new ATOM 0 HD3 LYS B 7 -4.604 -8.432 -4.988 1.00 44.31 H new ATOM 0 HE2 LYS B 7 -3.225 -9.101 -2.344 1.00 34.22 H new ATOM 0 HE3 LYS B 7 -4.533 -7.953 -2.554 1.00 34.22 H new ATOM 0 HZ1 LYS B 7 -5.628 -9.825 -1.847 1.00 64.13 H new ATOM 0 HZ2 LYS B 7 -5.780 -9.991 -3.530 1.00 64.13 H new ATOM 0 HZ3 LYS B 7 -4.615 -10.895 -2.690 1.00 64.13 H new ATOM 1397 N ALA B 8 -0.659 -7.389 -5.791 1.00 51.44 N ATOM 1398 CA ALA B 8 -0.309 -5.961 -5.534 1.00 55.34 C ATOM 1399 C ALA B 8 0.506 -5.367 -6.708 1.00 13.21 C ATOM 1400 O ALA B 8 0.294 -4.219 -7.105 1.00 74.52 O ATOM 1401 CB ALA B 8 0.478 -5.829 -4.220 1.00 61.32 C ATOM 0 H ALA B 8 -0.234 -8.042 -5.133 1.00 51.44 H new ATOM 0 HA ALA B 8 -1.238 -5.398 -5.446 1.00 55.34 H new ATOM 0 HB1 ALA B 8 0.725 -4.782 -4.048 1.00 61.32 H new ATOM 0 HB2 ALA B 8 -0.129 -6.199 -3.394 1.00 61.32 H new ATOM 0 HB3 ALA B 8 1.396 -6.413 -4.286 1.00 61.32 H new ATOM 1407 N GLY B 9 1.430 -6.185 -7.252 1.00 64.32 N ATOM 1408 CA GLY B 9 2.201 -5.826 -8.452 1.00 75.51 C ATOM 1409 C GLY B 9 1.350 -5.752 -9.730 1.00 45.34 C ATOM 1410 O GLY B 9 1.630 -4.949 -10.630 1.00 34.44 O ATOM 0 H GLY B 9 1.659 -7.104 -6.873 1.00 64.32 H new ATOM 0 HA2 GLY B 9 2.682 -4.862 -8.290 1.00 75.51 H new ATOM 0 HA3 GLY B 9 2.995 -6.558 -8.596 1.00 75.51 H new ATOM 1414 N ALA B 10 0.304 -6.598 -9.802 1.00 71.21 N ATOM 1415 CA ALA B 10 -0.669 -6.593 -10.920 1.00 41.44 C ATOM 1416 C ALA B 10 -1.532 -5.302 -10.910 1.00 5.20 C ATOM 1417 O ALA B 10 -1.768 -4.686 -11.963 1.00 5.14 O ATOM 1418 CB ALA B 10 -1.561 -7.842 -10.850 1.00 10.24 C ATOM 0 H ALA B 10 0.107 -7.303 -9.091 1.00 71.21 H new ATOM 0 HA ALA B 10 -0.112 -6.610 -11.857 1.00 41.44 H new ATOM 0 HB1 ALA B 10 -2.272 -7.828 -11.676 1.00 10.24 H new ATOM 0 HB2 ALA B 10 -0.941 -8.736 -10.920 1.00 10.24 H new ATOM 0 HB3 ALA B 10 -2.103 -7.849 -9.905 1.00 10.24 H new ATOM 1424 N LEU B 11 -1.989 -4.903 -9.704 1.00 50.03 N ATOM 1425 CA LEU B 11 -2.718 -3.628 -9.489 1.00 71.52 C ATOM 1426 C LEU B 11 -1.792 -2.414 -9.753 1.00 52.24 C ATOM 1427 O LEU B 11 -2.226 -1.396 -10.285 1.00 54.13 O ATOM 1428 CB LEU B 11 -3.293 -3.561 -8.043 1.00 10.33 C ATOM 1429 CG LEU B 11 -4.302 -4.691 -7.644 1.00 64.44 C ATOM 1430 CD1 LEU B 11 -4.760 -4.546 -6.174 1.00 5.10 C ATOM 1431 CD2 LEU B 11 -5.508 -4.739 -8.609 1.00 21.42 C ATOM 0 H LEU B 11 -1.865 -5.451 -8.853 1.00 50.03 H new ATOM 0 HA LEU B 11 -3.547 -3.591 -10.196 1.00 71.52 H new ATOM 0 HB2 LEU B 11 -2.459 -3.584 -7.342 1.00 10.33 H new ATOM 0 HB3 LEU B 11 -3.789 -2.599 -7.916 1.00 10.33 H new ATOM 0 HG LEU B 11 -3.777 -5.642 -7.731 1.00 64.44 H new ATOM 0 HD11 LEU B 11 -5.459 -5.346 -5.930 1.00 5.10 H new ATOM 0 HD12 LEU B 11 -3.894 -4.608 -5.515 1.00 5.10 H new ATOM 0 HD13 LEU B 11 -5.250 -3.582 -6.039 1.00 5.10 H new ATOM 0 HD21 LEU B 11 -6.188 -5.534 -8.303 1.00 21.42 H new ATOM 0 HD22 LEU B 11 -6.032 -3.784 -8.584 1.00 21.42 H new ATOM 0 HD23 LEU B 11 -5.156 -4.933 -9.622 1.00 21.42 H new ATOM 1443 N ALA B 12 -0.506 -2.560 -9.384 1.00 43.43 N ATOM 1444 CA ALA B 12 0.528 -1.518 -9.580 1.00 40.11 C ATOM 1445 C ALA B 12 0.748 -1.164 -11.058 1.00 1.22 C ATOM 1446 O ALA B 12 0.837 0.019 -11.410 1.00 42.52 O ATOM 1447 CB ALA B 12 1.856 -1.977 -8.969 1.00 34.22 C ATOM 0 H ALA B 12 -0.150 -3.406 -8.939 1.00 43.43 H new ATOM 0 HA ALA B 12 0.166 -0.620 -9.079 1.00 40.11 H new ATOM 0 HB1 ALA B 12 2.611 -1.205 -9.118 1.00 34.22 H new ATOM 0 HB2 ALA B 12 1.723 -2.154 -7.902 1.00 34.22 H new ATOM 0 HB3 ALA B 12 2.180 -2.899 -9.452 1.00 34.22 H new ATOM 1453 N GLY B 13 0.860 -2.212 -11.896 1.00 2.31 N ATOM 1454 CA GLY B 13 1.167 -2.063 -13.328 1.00 33.32 C ATOM 1455 C GLY B 13 0.222 -1.113 -14.070 1.00 52.15 C ATOM 1456 O GLY B 13 0.662 -0.132 -14.670 1.00 73.23 O ATOM 0 H GLY B 13 0.741 -3.181 -11.600 1.00 2.31 H new ATOM 0 HA2 GLY B 13 2.189 -1.699 -13.434 1.00 33.32 H new ATOM 0 HA3 GLY B 13 1.126 -3.044 -13.802 1.00 33.32 H new ATOM 1460 N GLN B 14 -1.082 -1.375 -13.936 1.00 3.45 N ATOM 1461 CA GLN B 14 -2.146 -0.573 -14.579 1.00 44.31 C ATOM 1462 C GLN B 14 -2.202 0.891 -14.038 1.00 30.32 C ATOM 1463 O GLN B 14 -2.427 1.834 -14.810 1.00 24.04 O ATOM 1464 CB GLN B 14 -3.510 -1.309 -14.416 1.00 1.32 C ATOM 1465 CG GLN B 14 -3.921 -1.613 -12.959 1.00 64.43 C ATOM 1466 CD GLN B 14 -5.048 -2.649 -12.832 1.00 61.30 C ATOM 1467 OE1 GLN B 14 -6.228 -2.322 -12.851 1.00 14.45 O ATOM 1468 NE2 GLN B 14 -4.687 -3.914 -12.698 1.00 15.14 N ATOM 0 H GLN B 14 -1.438 -2.151 -13.378 1.00 3.45 H new ATOM 0 HA GLN B 14 -1.916 -0.481 -15.640 1.00 44.31 H new ATOM 0 HB2 GLN B 14 -4.289 -0.703 -14.878 1.00 1.32 H new ATOM 0 HB3 GLN B 14 -3.467 -2.248 -14.968 1.00 1.32 H new ATOM 0 HG2 GLN B 14 -3.048 -1.972 -12.413 1.00 64.43 H new ATOM 0 HG3 GLN B 14 -4.237 -0.686 -12.480 1.00 64.43 H new ATOM 0 HE21 GLN B 14 -3.698 -4.163 -12.685 1.00 15.14 H new ATOM 0 HE22 GLN B 14 -5.397 -4.640 -12.608 1.00 15.14 H new ATOM 1477 N ILE B 15 -1.972 1.064 -12.716 1.00 12.23 N ATOM 1478 CA ILE B 15 -1.986 2.395 -12.040 1.00 41.25 C ATOM 1479 C ILE B 15 -0.819 3.302 -12.524 1.00 14.21 C ATOM 1480 O ILE B 15 -1.012 4.498 -12.793 1.00 71.22 O ATOM 1481 CB ILE B 15 -1.954 2.210 -10.464 1.00 11.45 C ATOM 1482 CG1 ILE B 15 -3.284 1.545 -9.972 1.00 41.21 C ATOM 1483 CG2 ILE B 15 -1.695 3.540 -9.706 1.00 41.20 C ATOM 1484 CD1 ILE B 15 -3.343 1.235 -8.483 1.00 12.30 C ATOM 0 H ILE B 15 -1.771 0.290 -12.083 1.00 12.23 H new ATOM 0 HA ILE B 15 -2.913 2.900 -12.312 1.00 41.25 H new ATOM 0 HB ILE B 15 -1.114 1.554 -10.236 1.00 11.45 H new ATOM 0 HG12 ILE B 15 -4.115 2.204 -10.222 1.00 41.21 H new ATOM 0 HG13 ILE B 15 -3.434 0.618 -10.526 1.00 41.21 H new ATOM 0 HG21 ILE B 15 -1.684 3.351 -8.633 1.00 41.20 H new ATOM 0 HG22 ILE B 15 -0.733 3.952 -10.012 1.00 41.20 H new ATOM 0 HG23 ILE B 15 -2.486 4.253 -9.941 1.00 41.20 H new ATOM 0 HD11 ILE B 15 -4.303 0.777 -8.244 1.00 12.30 H new ATOM 0 HD12 ILE B 15 -2.538 0.547 -8.222 1.00 12.30 H new ATOM 0 HD13 ILE B 15 -3.230 2.158 -7.914 1.00 12.30 H new ATOM 1496 N TRP B 16 0.379 2.706 -12.640 1.00 72.00 N ATOM 1497 CA TRP B 16 1.591 3.393 -13.138 1.00 3.21 C ATOM 1498 C TRP B 16 1.410 3.878 -14.604 1.00 30.31 C ATOM 1499 O TRP B 16 1.811 4.992 -14.955 1.00 70.14 O ATOM 1500 CB TRP B 16 2.810 2.437 -13.030 1.00 32.10 C ATOM 1501 CG TRP B 16 4.137 3.083 -13.374 1.00 5.41 C ATOM 1502 CD1 TRP B 16 4.957 3.768 -12.526 1.00 3.45 C ATOM 1503 CD2 TRP B 16 4.780 3.109 -14.659 1.00 4.14 C ATOM 1504 NE1 TRP B 16 6.064 4.218 -13.200 1.00 23.02 N ATOM 1505 CE2 TRP B 16 5.976 3.830 -14.510 1.00 35.45 C ATOM 1506 CE3 TRP B 16 4.452 2.593 -15.918 1.00 34.22 C ATOM 1507 CZ2 TRP B 16 6.846 4.048 -15.572 1.00 54.55 C ATOM 1508 CZ3 TRP B 16 5.315 2.810 -16.972 1.00 75.13 C ATOM 1509 CH2 TRP B 16 6.503 3.532 -16.794 1.00 13.04 C ATOM 0 H TRP B 16 0.539 1.730 -12.391 1.00 72.00 H new ATOM 0 HA TRP B 16 1.764 4.275 -12.521 1.00 3.21 H new ATOM 0 HB2 TRP B 16 2.862 2.045 -12.014 1.00 32.10 H new ATOM 0 HB3 TRP B 16 2.650 1.586 -13.692 1.00 32.10 H new ATOM 0 HD1 TRP B 16 4.763 3.932 -11.476 1.00 3.45 H new ATOM 0 HE1 TRP B 16 6.829 4.755 -12.791 1.00 23.02 H new ATOM 0 HE3 TRP B 16 3.539 2.035 -16.062 1.00 34.22 H new ATOM 0 HZ2 TRP B 16 7.761 4.605 -15.438 1.00 54.55 H new ATOM 0 HZ3 TRP B 16 5.072 2.418 -17.948 1.00 75.13 H new ATOM 0 HH2 TRP B 16 7.161 3.685 -17.637 1.00 13.04 H new ATOM 1520 N GLU B 17 0.818 3.010 -15.447 1.00 30.11 N ATOM 1521 CA GLU B 17 0.552 3.311 -16.880 1.00 65.14 C ATOM 1522 C GLU B 17 -0.459 4.473 -17.063 1.00 61.54 C ATOM 1523 O GLU B 17 -0.378 5.211 -18.049 1.00 71.31 O ATOM 1524 CB GLU B 17 0.056 2.044 -17.615 1.00 73.11 C ATOM 1525 CG GLU B 17 1.051 0.873 -17.610 1.00 11.02 C ATOM 1526 CD GLU B 17 0.477 -0.412 -18.236 1.00 71.00 C ATOM 1527 OE1 GLU B 17 -0.529 -0.941 -17.713 1.00 2.10 O ATOM 1528 OE2 GLU B 17 1.008 -0.880 -19.268 1.00 33.44 O ATOM 0 H GLU B 17 0.509 2.081 -15.161 1.00 30.11 H new ATOM 0 HA GLU B 17 1.496 3.635 -17.319 1.00 65.14 H new ATOM 0 HB2 GLU B 17 -0.876 1.714 -17.155 1.00 73.11 H new ATOM 0 HB3 GLU B 17 -0.173 2.305 -18.648 1.00 73.11 H new ATOM 0 HG2 GLU B 17 1.949 1.165 -18.154 1.00 11.02 H new ATOM 0 HG3 GLU B 17 1.354 0.666 -16.584 1.00 11.02 H new ATOM 1535 N ALA B 18 -1.398 4.629 -16.104 1.00 42.41 N ATOM 1536 CA ALA B 18 -2.332 5.787 -16.070 1.00 5.34 C ATOM 1537 C ALA B 18 -1.563 7.129 -15.894 1.00 12.34 C ATOM 1538 O ALA B 18 -1.963 8.170 -16.425 1.00 73.12 O ATOM 1539 CB ALA B 18 -3.368 5.598 -14.943 1.00 51.24 C ATOM 0 H ALA B 18 -1.533 3.968 -15.339 1.00 42.41 H new ATOM 0 HA ALA B 18 -2.856 5.832 -17.025 1.00 5.34 H new ATOM 0 HB1 ALA B 18 -4.047 6.451 -14.926 1.00 51.24 H new ATOM 0 HB2 ALA B 18 -3.936 4.685 -15.121 1.00 51.24 H new ATOM 0 HB3 ALA B 18 -2.854 5.525 -13.985 1.00 51.24 H new ATOM 1545 N LEU B 19 -0.445 7.069 -15.148 1.00 51.52 N ATOM 1546 CA LEU B 19 0.457 8.222 -14.912 1.00 2.21 C ATOM 1547 C LEU B 19 1.537 8.368 -16.015 1.00 1.33 C ATOM 1548 O LEU B 19 2.132 9.441 -16.163 1.00 3.04 O ATOM 1549 CB LEU B 19 1.140 8.044 -13.536 1.00 15.21 C ATOM 1550 CG LEU B 19 0.186 8.001 -12.311 1.00 63.42 C ATOM 1551 CD1 LEU B 19 0.952 7.637 -11.020 1.00 3.30 C ATOM 1552 CD2 LEU B 19 -0.565 9.343 -12.165 1.00 43.33 C ATOM 0 H LEU B 19 -0.136 6.214 -14.686 1.00 51.52 H new ATOM 0 HA LEU B 19 -0.146 9.130 -14.934 1.00 2.21 H new ATOM 0 HB2 LEU B 19 1.719 7.121 -13.555 1.00 15.21 H new ATOM 0 HB3 LEU B 19 1.848 8.861 -13.394 1.00 15.21 H new ATOM 0 HG LEU B 19 -0.553 7.218 -12.479 1.00 63.42 H new ATOM 0 HD11 LEU B 19 0.258 7.615 -10.179 1.00 3.30 H new ATOM 0 HD12 LEU B 19 1.414 6.657 -11.135 1.00 3.30 H new ATOM 0 HD13 LEU B 19 1.725 8.383 -10.833 1.00 3.30 H new ATOM 0 HD21 LEU B 19 -1.229 9.296 -11.302 1.00 43.33 H new ATOM 0 HD22 LEU B 19 0.155 10.149 -12.025 1.00 43.33 H new ATOM 0 HD23 LEU B 19 -1.151 9.532 -13.064 1.00 43.33 H new ATOM 1564 N ASN B 20 1.807 7.275 -16.758 1.00 13.54 N ATOM 1565 CA ASN B 20 2.825 7.265 -17.833 1.00 23.41 C ATOM 1566 C ASN B 20 2.360 8.104 -19.049 1.00 50.23 C ATOM 1567 O ASN B 20 1.274 7.877 -19.591 1.00 71.41 O ATOM 1568 CB ASN B 20 3.168 5.809 -18.235 1.00 74.35 C ATOM 1569 CG ASN B 20 4.271 5.724 -19.289 1.00 61.44 C ATOM 1570 OD1 ASN B 20 4.010 5.612 -20.482 1.00 64.53 O ATOM 1571 ND2 ASN B 20 5.514 5.810 -18.858 1.00 4.44 N ATOM 0 H ASN B 20 1.331 6.381 -16.633 1.00 13.54 H new ATOM 0 HA ASN B 20 3.735 7.730 -17.455 1.00 23.41 H new ATOM 0 HB2 ASN B 20 3.478 5.256 -17.348 1.00 74.35 H new ATOM 0 HB3 ASN B 20 2.270 5.322 -18.617 1.00 74.35 H new ATOM 0 HD21 ASN B 20 6.287 5.784 -19.523 1.00 4.44 H new ATOM 0 HD22 ASN B 20 5.702 5.903 -17.860 1.00 4.44 H new ATOM 1578 N GLY B 21 3.196 9.087 -19.447 1.00 2.10 N ATOM 1579 CA GLY B 21 2.832 10.064 -20.491 1.00 42.13 C ATOM 1580 C GLY B 21 1.910 11.186 -19.980 1.00 51.11 C ATOM 1581 O GLY B 21 1.472 12.042 -20.756 1.00 62.45 O ATOM 0 H GLY B 21 4.129 9.223 -19.059 1.00 2.10 H new ATOM 0 HA2 GLY B 21 3.741 10.507 -20.897 1.00 42.13 H new ATOM 0 HA3 GLY B 21 2.338 9.542 -21.311 1.00 42.13 H new ATOM 1585 N THR B 22 1.644 11.190 -18.660 1.00 52.52 N ATOM 1586 CA THR B 22 0.721 12.140 -17.989 1.00 64.25 C ATOM 1587 C THR B 22 1.476 12.902 -16.871 1.00 33.50 C ATOM 1588 O THR B 22 2.375 12.341 -16.232 1.00 11.11 O ATOM 1589 CB THR B 22 -0.508 11.373 -17.378 1.00 34.43 C ATOM 1590 OG1 THR B 22 -1.123 10.553 -18.388 1.00 5.15 O ATOM 1591 CG2 THR B 22 -1.574 12.319 -16.783 1.00 14.43 C ATOM 0 H THR B 22 2.069 10.524 -18.015 1.00 52.52 H new ATOM 0 HA THR B 22 0.354 12.853 -18.727 1.00 64.25 H new ATOM 0 HB THR B 22 -0.120 10.761 -16.564 1.00 34.43 H new ATOM 0 HG1 THR B 22 -1.463 9.730 -17.979 1.00 5.15 H new ATOM 0 HG21 THR B 22 -2.397 11.731 -16.377 1.00 14.43 H new ATOM 0 HG22 THR B 22 -1.128 12.916 -15.988 1.00 14.43 H new ATOM 0 HG23 THR B 22 -1.951 12.979 -17.564 1.00 14.43 H new ATOM 1599 N GLU B 23 1.092 14.173 -16.624 1.00 24.53 N ATOM 1600 CA GLU B 23 1.760 15.033 -15.615 1.00 34.34 C ATOM 1601 C GLU B 23 1.448 14.576 -14.165 1.00 71.12 C ATOM 1602 O GLU B 23 2.212 14.865 -13.241 1.00 43.21 O ATOM 1603 CB GLU B 23 1.343 16.516 -15.804 1.00 34.43 C ATOM 1604 CG GLU B 23 -0.152 16.808 -15.546 1.00 10.03 C ATOM 1605 CD GLU B 23 -0.506 18.292 -15.719 1.00 1.35 C ATOM 1606 OE1 GLU B 23 -0.818 18.711 -16.853 1.00 73.22 O ATOM 1607 OE2 GLU B 23 -0.459 19.048 -14.724 1.00 72.22 O ATOM 0 H GLU B 23 0.320 14.630 -17.110 1.00 24.53 H new ATOM 0 HA GLU B 23 2.835 14.937 -15.770 1.00 34.34 H new ATOM 0 HB2 GLU B 23 1.940 17.135 -15.134 1.00 34.43 H new ATOM 0 HB3 GLU B 23 1.588 16.820 -16.822 1.00 34.43 H new ATOM 0 HG2 GLU B 23 -0.757 16.213 -16.230 1.00 10.03 H new ATOM 0 HG3 GLU B 23 -0.410 16.493 -14.535 1.00 10.03 H new ATOM 1614 N GLY B 24 0.328 13.844 -13.999 1.00 22.30 N ATOM 1615 CA GLY B 24 -0.174 13.431 -12.682 1.00 65.14 C ATOM 1616 C GLY B 24 -1.699 13.329 -12.655 1.00 73.32 C ATOM 1617 O GLY B 24 -2.383 14.095 -13.341 1.00 34.42 O ATOM 0 H GLY B 24 -0.250 13.525 -14.776 1.00 22.30 H new ATOM 0 HA2 GLY B 24 0.258 12.466 -12.416 1.00 65.14 H new ATOM 0 HA3 GLY B 24 0.155 14.147 -11.928 1.00 65.14 H new ATOM 1621 N LEU B 25 -2.234 12.392 -11.852 1.00 43.32 N ATOM 1622 CA LEU B 25 -3.695 12.151 -11.722 1.00 73.10 C ATOM 1623 C LEU B 25 -4.085 11.897 -10.252 1.00 53.34 C ATOM 1624 O LEU B 25 -3.245 11.517 -9.428 1.00 40.41 O ATOM 1625 CB LEU B 25 -4.140 10.932 -12.588 1.00 54.33 C ATOM 1626 CG LEU B 25 -4.076 11.090 -14.142 1.00 2.31 C ATOM 1627 CD1 LEU B 25 -4.489 9.779 -14.850 1.00 51.04 C ATOM 1628 CD2 LEU B 25 -4.946 12.280 -14.619 1.00 34.24 C ATOM 0 H LEU B 25 -1.668 11.774 -11.270 1.00 43.32 H new ATOM 0 HA LEU B 25 -4.203 13.047 -12.077 1.00 73.10 H new ATOM 0 HB2 LEU B 25 -3.521 10.079 -12.311 1.00 54.33 H new ATOM 0 HB3 LEU B 25 -5.166 10.683 -12.317 1.00 54.33 H new ATOM 0 HG LEU B 25 -3.042 11.305 -14.413 1.00 2.31 H new ATOM 0 HD11 LEU B 25 -4.436 9.916 -15.930 1.00 51.04 H new ATOM 0 HD12 LEU B 25 -3.814 8.977 -14.553 1.00 51.04 H new ATOM 0 HD13 LEU B 25 -5.509 9.519 -14.567 1.00 51.04 H new ATOM 0 HD21 LEU B 25 -4.882 12.366 -15.704 1.00 34.24 H new ATOM 0 HD22 LEU B 25 -5.983 12.112 -14.329 1.00 34.24 H new ATOM 0 HD23 LEU B 25 -4.586 13.201 -14.161 1.00 34.24 H new ATOM 1640 N THR B 26 -5.382 12.100 -9.939 1.00 33.12 N ATOM 1641 CA THR B 26 -5.957 11.753 -8.615 1.00 3.23 C ATOM 1642 C THR B 26 -6.318 10.248 -8.557 1.00 62.12 C ATOM 1643 O THR B 26 -6.347 9.574 -9.596 1.00 12.14 O ATOM 1644 CB THR B 26 -7.249 12.581 -8.300 1.00 74.02 C ATOM 1645 OG1 THR B 26 -8.335 12.150 -9.147 1.00 34.22 O ATOM 1646 CG2 THR B 26 -7.028 14.099 -8.477 1.00 32.15 C ATOM 0 H THR B 26 -6.057 12.505 -10.587 1.00 33.12 H new ATOM 0 HA THR B 26 -5.195 11.991 -7.873 1.00 3.23 H new ATOM 0 HB THR B 26 -7.498 12.400 -7.254 1.00 74.02 H new ATOM 0 HG1 THR B 26 -9.138 12.673 -8.941 1.00 34.22 H new ATOM 0 HG21 THR B 26 -7.952 14.630 -8.247 1.00 32.15 H new ATOM 0 HG22 THR B 26 -6.240 14.433 -7.802 1.00 32.15 H new ATOM 0 HG23 THR B 26 -6.736 14.307 -9.507 1.00 32.15 H new ATOM 1654 N GLN B 27 -6.636 9.735 -7.342 1.00 3.12 N ATOM 1655 CA GLN B 27 -7.092 8.332 -7.165 1.00 14.25 C ATOM 1656 C GLN B 27 -8.402 8.052 -7.949 1.00 31.43 C ATOM 1657 O GLN B 27 -8.620 6.942 -8.406 1.00 60.33 O ATOM 1658 CB GLN B 27 -7.272 7.970 -5.660 1.00 72.11 C ATOM 1659 CG GLN B 27 -8.470 8.624 -4.948 1.00 32.44 C ATOM 1660 CD GLN B 27 -8.641 8.166 -3.493 1.00 32.21 C ATOM 1661 OE1 GLN B 27 -8.088 8.751 -2.571 1.00 71.23 O ATOM 1662 NE2 GLN B 27 -9.402 7.108 -3.280 1.00 55.43 N ATOM 0 H GLN B 27 -6.586 10.268 -6.474 1.00 3.12 H new ATOM 0 HA GLN B 27 -6.309 7.694 -7.575 1.00 14.25 H new ATOM 0 HB2 GLN B 27 -7.371 6.888 -5.576 1.00 72.11 H new ATOM 0 HB3 GLN B 27 -6.362 8.249 -5.128 1.00 72.11 H new ATOM 0 HG2 GLN B 27 -8.348 9.707 -4.968 1.00 32.44 H new ATOM 0 HG3 GLN B 27 -9.381 8.396 -5.502 1.00 32.44 H new ATOM 0 HE21 GLN B 27 -9.852 6.637 -4.065 1.00 55.43 H new ATOM 0 HE22 GLN B 27 -9.539 6.761 -2.331 1.00 55.43 H new ATOM 1671 N LYS B 28 -9.256 9.086 -8.087 1.00 23.12 N ATOM 1672 CA LYS B 28 -10.517 9.014 -8.872 1.00 34.11 C ATOM 1673 C LYS B 28 -10.239 8.765 -10.375 1.00 73.13 C ATOM 1674 O LYS B 28 -10.835 7.869 -10.989 1.00 72.31 O ATOM 1675 CB LYS B 28 -11.327 10.328 -8.699 1.00 2.00 C ATOM 1676 CG LYS B 28 -11.727 10.649 -7.244 1.00 43.33 C ATOM 1677 CD LYS B 28 -12.674 9.586 -6.636 1.00 31.30 C ATOM 1678 CE LYS B 28 -13.078 9.907 -5.186 1.00 15.14 C ATOM 1679 NZ LYS B 28 -11.907 9.896 -4.265 1.00 73.32 N ATOM 0 H LYS B 28 -9.096 9.998 -7.659 1.00 23.12 H new ATOM 0 HA LYS B 28 -11.097 8.173 -8.492 1.00 34.11 H new ATOM 0 HB2 LYS B 28 -10.738 11.157 -9.091 1.00 2.00 H new ATOM 0 HB3 LYS B 28 -12.231 10.265 -9.305 1.00 2.00 H new ATOM 0 HG2 LYS B 28 -10.828 10.721 -6.632 1.00 43.33 H new ATOM 0 HG3 LYS B 28 -12.214 11.624 -7.212 1.00 43.33 H new ATOM 0 HD2 LYS B 28 -13.571 9.511 -7.250 1.00 31.30 H new ATOM 0 HD3 LYS B 28 -12.186 8.612 -6.665 1.00 31.30 H new ATOM 0 HE2 LYS B 28 -13.557 10.885 -5.151 1.00 15.14 H new ATOM 0 HE3 LYS B 28 -13.814 9.179 -4.845 1.00 15.14 H new ATOM 0 HZ1 LYS B 28 -12.219 9.626 -3.310 1.00 73.32 H new ATOM 0 HZ2 LYS B 28 -11.203 9.210 -4.606 1.00 73.32 H new ATOM 0 HZ3 LYS B 28 -11.480 10.844 -4.235 1.00 73.32 H new ATOM 1693 N GLN B 29 -9.311 9.567 -10.936 1.00 40.40 N ATOM 1694 CA GLN B 29 -8.936 9.507 -12.372 1.00 44.22 C ATOM 1695 C GLN B 29 -8.299 8.146 -12.735 1.00 21.22 C ATOM 1696 O GLN B 29 -8.673 7.514 -13.727 1.00 54.45 O ATOM 1697 CB GLN B 29 -7.938 10.647 -12.717 1.00 34.04 C ATOM 1698 CG GLN B 29 -8.425 12.073 -12.393 1.00 31.25 C ATOM 1699 CD GLN B 29 -9.659 12.526 -13.181 1.00 41.23 C ATOM 1700 OE1 GLN B 29 -9.884 12.119 -14.318 1.00 62.44 O ATOM 1701 NE2 GLN B 29 -10.465 13.385 -12.584 1.00 61.02 N ATOM 0 H GLN B 29 -8.798 10.275 -10.411 1.00 40.40 H new ATOM 0 HA GLN B 29 -9.850 9.628 -12.953 1.00 44.22 H new ATOM 0 HB2 GLN B 29 -7.008 10.468 -12.178 1.00 34.04 H new ATOM 0 HB3 GLN B 29 -7.705 10.594 -13.781 1.00 34.04 H new ATOM 0 HG2 GLN B 29 -8.650 12.132 -11.328 1.00 31.25 H new ATOM 0 HG3 GLN B 29 -7.611 12.772 -12.586 1.00 31.25 H new ATOM 0 HE21 GLN B 29 -10.256 13.708 -11.639 1.00 61.02 H new ATOM 0 HE22 GLN B 29 -11.296 13.725 -13.068 1.00 61.02 H new ATOM 1710 N ILE B 30 -7.346 7.716 -11.894 1.00 30.24 N ATOM 1711 CA ILE B 30 -6.588 6.466 -12.087 1.00 61.24 C ATOM 1712 C ILE B 30 -7.482 5.221 -11.913 1.00 62.02 C ATOM 1713 O ILE B 30 -7.472 4.341 -12.762 1.00 62.11 O ATOM 1714 CB ILE B 30 -5.381 6.387 -11.087 1.00 4.02 C ATOM 1715 CG1 ILE B 30 -4.403 7.575 -11.324 1.00 23.03 C ATOM 1716 CG2 ILE B 30 -4.643 5.032 -11.182 1.00 22.51 C ATOM 1717 CD1 ILE B 30 -3.259 7.672 -10.332 1.00 53.40 C ATOM 0 H ILE B 30 -7.076 8.228 -11.054 1.00 30.24 H new ATOM 0 HA ILE B 30 -6.211 6.477 -13.110 1.00 61.24 H new ATOM 0 HB ILE B 30 -5.781 6.462 -10.076 1.00 4.02 H new ATOM 0 HG12 ILE B 30 -3.987 7.489 -12.328 1.00 23.03 H new ATOM 0 HG13 ILE B 30 -4.971 8.505 -11.293 1.00 23.03 H new ATOM 0 HG21 ILE B 30 -3.815 5.018 -10.474 1.00 22.51 H new ATOM 0 HG22 ILE B 30 -5.335 4.223 -10.947 1.00 22.51 H new ATOM 0 HG23 ILE B 30 -4.258 4.897 -12.193 1.00 22.51 H new ATOM 0 HD11 ILE B 30 -2.634 8.530 -10.580 1.00 53.40 H new ATOM 0 HD12 ILE B 30 -3.659 7.794 -9.326 1.00 53.40 H new ATOM 0 HD13 ILE B 30 -2.661 6.762 -10.377 1.00 53.40 H new ATOM 1729 N LYS B 31 -8.252 5.168 -10.810 1.00 2.10 N ATOM 1730 CA LYS B 31 -9.095 3.991 -10.468 1.00 42.00 C ATOM 1731 C LYS B 31 -10.132 3.703 -11.593 1.00 4.35 C ATOM 1732 O LYS B 31 -10.418 2.552 -11.912 1.00 44.43 O ATOM 1733 CB LYS B 31 -9.818 4.220 -9.111 1.00 10.20 C ATOM 1734 CG LYS B 31 -10.285 2.934 -8.398 1.00 22.32 C ATOM 1735 CD LYS B 31 -11.241 3.198 -7.212 1.00 44.45 C ATOM 1736 CE LYS B 31 -12.592 3.784 -7.663 1.00 2.23 C ATOM 1737 NZ LYS B 31 -13.551 3.896 -6.541 1.00 44.22 N ATOM 0 H LYS B 31 -8.312 5.928 -10.132 1.00 2.10 H new ATOM 0 HA LYS B 31 -8.444 3.122 -10.376 1.00 42.00 H new ATOM 0 HB2 LYS B 31 -9.147 4.763 -8.446 1.00 10.20 H new ATOM 0 HB3 LYS B 31 -10.685 4.859 -9.281 1.00 10.20 H new ATOM 0 HG2 LYS B 31 -10.785 2.289 -9.120 1.00 22.32 H new ATOM 0 HG3 LYS B 31 -9.412 2.391 -8.036 1.00 22.32 H new ATOM 0 HD2 LYS B 31 -11.414 2.266 -6.675 1.00 44.45 H new ATOM 0 HD3 LYS B 31 -10.766 3.886 -6.512 1.00 44.45 H new ATOM 0 HE2 LYS B 31 -12.431 4.769 -8.102 1.00 2.23 H new ATOM 0 HE3 LYS B 31 -13.019 3.153 -8.443 1.00 2.23 H new ATOM 0 HZ1 LYS B 31 -14.364 4.474 -6.835 1.00 44.22 H new ATOM 0 HZ2 LYS B 31 -13.881 2.948 -6.270 1.00 44.22 H new ATOM 0 HZ3 LYS B 31 -13.083 4.345 -5.728 1.00 44.22 H new ATOM 1751 N LYS B 32 -10.657 4.786 -12.197 1.00 65.14 N ATOM 1752 CA LYS B 32 -11.551 4.719 -13.378 1.00 21.43 C ATOM 1753 C LYS B 32 -10.769 4.230 -14.633 1.00 4.33 C ATOM 1754 O LYS B 32 -11.227 3.324 -15.343 1.00 50.54 O ATOM 1755 CB LYS B 32 -12.209 6.123 -13.595 1.00 41.12 C ATOM 1756 CG LYS B 32 -13.206 6.267 -14.790 1.00 0.55 C ATOM 1757 CD LYS B 32 -12.512 6.578 -16.143 1.00 21.44 C ATOM 1758 CE LYS B 32 -13.502 6.839 -17.292 1.00 73.45 C ATOM 1759 NZ LYS B 32 -12.797 7.140 -18.568 1.00 31.43 N ATOM 0 H LYS B 32 -10.474 5.738 -11.881 1.00 65.14 H new ATOM 0 HA LYS B 32 -12.344 3.991 -13.207 1.00 21.43 H new ATOM 0 HB2 LYS B 32 -12.736 6.394 -12.680 1.00 41.12 H new ATOM 0 HB3 LYS B 32 -11.411 6.853 -13.731 1.00 41.12 H new ATOM 0 HG2 LYS B 32 -13.778 5.345 -14.888 1.00 0.55 H new ATOM 0 HG3 LYS B 32 -13.918 7.061 -14.565 1.00 0.55 H new ATOM 0 HD2 LYS B 32 -11.870 7.450 -16.021 1.00 21.44 H new ATOM 0 HD3 LYS B 32 -11.866 5.742 -16.412 1.00 21.44 H new ATOM 0 HE2 LYS B 32 -14.142 5.967 -17.427 1.00 73.45 H new ATOM 0 HE3 LYS B 32 -14.152 7.674 -17.030 1.00 73.45 H new ATOM 0 HZ1 LYS B 32 -13.496 7.310 -19.319 1.00 31.43 H new ATOM 0 HZ2 LYS B 32 -12.206 7.987 -18.447 1.00 31.43 H new ATOM 0 HZ3 LYS B 32 -12.196 6.333 -18.831 1.00 31.43 H new ATOM 1773 N ALA B 33 -9.582 4.834 -14.880 1.00 35.22 N ATOM 1774 CA ALA B 33 -8.725 4.512 -16.060 1.00 20.23 C ATOM 1775 C ALA B 33 -8.259 3.035 -16.065 1.00 62.15 C ATOM 1776 O ALA B 33 -8.052 2.433 -17.126 1.00 4.21 O ATOM 1777 CB ALA B 33 -7.493 5.435 -16.089 1.00 22.24 C ATOM 0 H ALA B 33 -9.188 5.554 -14.275 1.00 35.22 H new ATOM 0 HA ALA B 33 -9.335 4.672 -16.949 1.00 20.23 H new ATOM 0 HB1 ALA B 33 -6.876 5.191 -16.954 1.00 22.24 H new ATOM 0 HB2 ALA B 33 -7.818 6.473 -16.157 1.00 22.24 H new ATOM 0 HB3 ALA B 33 -6.912 5.295 -15.177 1.00 22.24 H new ATOM 1783 N THR B 34 -8.082 2.484 -14.861 1.00 34.40 N ATOM 1784 CA THR B 34 -7.620 1.101 -14.636 1.00 15.32 C ATOM 1785 C THR B 34 -8.794 0.116 -14.478 1.00 52.24 C ATOM 1786 O THR B 34 -8.576 -1.096 -14.449 1.00 31.41 O ATOM 1787 CB THR B 34 -6.736 1.043 -13.353 1.00 21.10 C ATOM 1788 OG1 THR B 34 -7.507 1.469 -12.215 1.00 54.35 O ATOM 1789 CG2 THR B 34 -5.491 1.938 -13.476 1.00 23.22 C ATOM 0 H THR B 34 -8.258 2.993 -13.994 1.00 34.40 H new ATOM 0 HA THR B 34 -7.044 0.805 -15.513 1.00 15.32 H new ATOM 0 HB THR B 34 -6.405 0.012 -13.227 1.00 21.10 H new ATOM 0 HG1 THR B 34 -7.575 2.447 -12.213 1.00 54.35 H new ATOM 0 HG21 THR B 34 -4.902 1.869 -12.562 1.00 23.22 H new ATOM 0 HG22 THR B 34 -4.888 1.608 -14.322 1.00 23.22 H new ATOM 0 HG23 THR B 34 -5.800 2.972 -13.632 1.00 23.22 H new ATOM 1797 N LYS B 35 -10.025 0.667 -14.336 1.00 20.24 N ATOM 1798 CA LYS B 35 -11.295 -0.103 -14.194 1.00 20.31 C ATOM 1799 C LYS B 35 -11.396 -0.791 -12.788 1.00 61.30 C ATOM 1800 O LYS B 35 -12.181 -1.724 -12.572 1.00 31.23 O ATOM 1801 CB LYS B 35 -11.464 -1.111 -15.379 1.00 71.55 C ATOM 1802 CG LYS B 35 -12.878 -1.718 -15.555 1.00 20.23 C ATOM 1803 CD LYS B 35 -12.947 -2.737 -16.719 1.00 34.32 C ATOM 1804 CE LYS B 35 -12.590 -2.108 -18.078 1.00 14.51 C ATOM 1805 NZ LYS B 35 -12.575 -3.108 -19.176 1.00 5.12 N ATOM 0 H LYS B 35 -10.170 1.676 -14.316 1.00 20.24 H new ATOM 0 HA LYS B 35 -12.131 0.595 -14.248 1.00 20.31 H new ATOM 0 HB2 LYS B 35 -11.190 -0.604 -16.304 1.00 71.55 H new ATOM 0 HB3 LYS B 35 -10.754 -1.927 -15.241 1.00 71.55 H new ATOM 0 HG2 LYS B 35 -13.177 -2.209 -14.629 1.00 20.23 H new ATOM 0 HG3 LYS B 35 -13.594 -0.916 -15.736 1.00 20.23 H new ATOM 0 HD2 LYS B 35 -12.266 -3.563 -16.515 1.00 34.32 H new ATOM 0 HD3 LYS B 35 -13.951 -3.157 -16.770 1.00 34.32 H new ATOM 0 HE2 LYS B 35 -13.310 -1.324 -18.313 1.00 14.51 H new ATOM 0 HE3 LYS B 35 -11.612 -1.632 -18.010 1.00 14.51 H new ATOM 0 HZ1 LYS B 35 -12.330 -2.638 -20.071 1.00 5.12 H new ATOM 0 HZ2 LYS B 35 -11.870 -3.843 -18.967 1.00 5.12 H new ATOM 0 HZ3 LYS B 35 -13.515 -3.545 -19.261 1.00 5.12 H new ATOM 1819 N LEU B 36 -10.606 -0.281 -11.827 1.00 4.11 N ATOM 1820 CA LEU B 36 -10.667 -0.704 -10.411 1.00 11.11 C ATOM 1821 C LEU B 36 -11.912 -0.079 -9.724 1.00 4.12 C ATOM 1822 O LEU B 36 -12.401 0.976 -10.149 1.00 31.10 O ATOM 1823 CB LEU B 36 -9.357 -0.305 -9.680 1.00 3.55 C ATOM 1824 CG LEU B 36 -8.058 -1.025 -10.174 1.00 62.24 C ATOM 1825 CD1 LEU B 36 -6.787 -0.444 -9.505 1.00 44.05 C ATOM 1826 CD2 LEU B 36 -8.153 -2.553 -9.955 1.00 3.40 C ATOM 0 H LEU B 36 -9.905 0.438 -12.008 1.00 4.11 H new ATOM 0 HA LEU B 36 -10.763 -1.789 -10.360 1.00 11.11 H new ATOM 0 HB2 LEU B 36 -9.217 0.771 -9.786 1.00 3.55 H new ATOM 0 HB3 LEU B 36 -9.480 -0.507 -8.616 1.00 3.55 H new ATOM 0 HG LEU B 36 -7.972 -0.841 -11.245 1.00 62.24 H new ATOM 0 HD11 LEU B 36 -5.908 -0.971 -9.875 1.00 44.05 H new ATOM 0 HD12 LEU B 36 -6.702 0.616 -9.744 1.00 44.05 H new ATOM 0 HD13 LEU B 36 -6.856 -0.567 -8.424 1.00 44.05 H new ATOM 0 HD21 LEU B 36 -7.238 -3.029 -10.307 1.00 3.40 H new ATOM 0 HD22 LEU B 36 -8.285 -2.761 -8.893 1.00 3.40 H new ATOM 0 HD23 LEU B 36 -9.004 -2.948 -10.510 1.00 3.40 H new ATOM 1838 N LYS B 37 -12.414 -0.723 -8.662 1.00 23.11 N ATOM 1839 CA LYS B 37 -13.719 -0.358 -8.038 1.00 64.40 C ATOM 1840 C LYS B 37 -13.565 0.104 -6.572 1.00 43.54 C ATOM 1841 O LYS B 37 -14.219 1.064 -6.138 1.00 11.15 O ATOM 1842 CB LYS B 37 -14.685 -1.569 -8.151 1.00 23.52 C ATOM 1843 CG LYS B 37 -14.117 -2.910 -7.612 1.00 63.33 C ATOM 1844 CD LYS B 37 -14.974 -4.128 -8.021 1.00 41.32 C ATOM 1845 CE LYS B 37 -16.382 -4.112 -7.410 1.00 22.43 C ATOM 1846 NZ LYS B 37 -17.176 -5.289 -7.833 1.00 65.11 N ATOM 0 H LYS B 37 -11.943 -1.505 -8.206 1.00 23.11 H new ATOM 0 HA LYS B 37 -14.133 0.494 -8.576 1.00 64.40 H new ATOM 0 HB2 LYS B 37 -15.602 -1.336 -7.610 1.00 23.52 H new ATOM 0 HB3 LYS B 37 -14.958 -1.701 -9.198 1.00 23.52 H new ATOM 0 HG2 LYS B 37 -13.101 -3.045 -7.983 1.00 63.33 H new ATOM 0 HG3 LYS B 37 -14.056 -2.863 -6.525 1.00 63.33 H new ATOM 0 HD2 LYS B 37 -15.057 -4.157 -9.107 1.00 41.32 H new ATOM 0 HD3 LYS B 37 -14.463 -5.042 -7.716 1.00 41.32 H new ATOM 0 HE2 LYS B 37 -16.307 -4.095 -6.323 1.00 22.43 H new ATOM 0 HE3 LYS B 37 -16.898 -3.199 -7.708 1.00 22.43 H new ATOM 0 HZ1 LYS B 37 -18.121 -5.244 -7.401 1.00 65.11 H new ATOM 0 HZ2 LYS B 37 -17.269 -5.291 -8.869 1.00 65.11 H new ATOM 0 HZ3 LYS B 37 -16.696 -6.160 -7.527 1.00 65.11 H new ATOM 1860 N ALA B 38 -12.689 -0.575 -5.824 1.00 34.42 N ATOM 1861 CA ALA B 38 -12.427 -0.280 -4.399 1.00 63.12 C ATOM 1862 C ALA B 38 -11.223 0.669 -4.241 1.00 43.34 C ATOM 1863 O ALA B 38 -10.297 0.669 -5.059 1.00 4.53 O ATOM 1864 CB ALA B 38 -12.181 -1.586 -3.615 1.00 64.14 C ATOM 0 H ALA B 38 -12.135 -1.351 -6.186 1.00 34.42 H new ATOM 0 HA ALA B 38 -13.308 0.216 -3.992 1.00 63.12 H new ATOM 0 HB1 ALA B 38 -11.990 -1.351 -2.568 1.00 64.14 H new ATOM 0 HB2 ALA B 38 -13.060 -2.226 -3.689 1.00 64.14 H new ATOM 0 HB3 ALA B 38 -11.319 -2.105 -4.034 1.00 64.14 H new ATOM 1870 N ASP B 39 -11.264 1.471 -3.170 1.00 40.34 N ATOM 1871 CA ASP B 39 -10.142 2.323 -2.717 1.00 73.04 C ATOM 1872 C ASP B 39 -8.884 1.471 -2.408 1.00 0.45 C ATOM 1873 O ASP B 39 -7.749 1.884 -2.662 1.00 1.24 O ATOM 1874 CB ASP B 39 -10.597 3.111 -1.458 1.00 54.20 C ATOM 1875 CG ASP B 39 -11.013 2.207 -0.271 1.00 22.42 C ATOM 1876 OD1 ASP B 39 -11.997 1.445 -0.397 1.00 22.13 O ATOM 1877 OD2 ASP B 39 -10.347 2.226 0.779 1.00 65.44 O ATOM 0 H ASP B 39 -12.091 1.552 -2.578 1.00 40.34 H new ATOM 0 HA ASP B 39 -9.872 3.020 -3.510 1.00 73.04 H new ATOM 0 HB2 ASP B 39 -9.786 3.765 -1.138 1.00 54.20 H new ATOM 0 HB3 ASP B 39 -11.437 3.752 -1.726 1.00 54.20 H new ATOM 1882 N LYS B 40 -9.147 0.261 -1.886 1.00 31.00 N ATOM 1883 CA LYS B 40 -8.127 -0.736 -1.499 1.00 32.34 C ATOM 1884 C LYS B 40 -7.260 -1.169 -2.705 1.00 35.24 C ATOM 1885 O LYS B 40 -6.052 -1.365 -2.568 1.00 60.45 O ATOM 1886 CB LYS B 40 -8.834 -1.969 -0.889 1.00 32.13 C ATOM 1887 CG LYS B 40 -9.833 -1.639 0.242 1.00 73.35 C ATOM 1888 CD LYS B 40 -9.165 -1.019 1.483 1.00 1.51 C ATOM 1889 CE LYS B 40 -10.146 -0.857 2.656 1.00 22.45 C ATOM 1890 NZ LYS B 40 -11.331 -0.032 2.304 1.00 73.43 N ATOM 0 H LYS B 40 -10.099 -0.062 -1.716 1.00 31.00 H new ATOM 0 HA LYS B 40 -7.462 -0.280 -0.766 1.00 32.34 H new ATOM 0 HB2 LYS B 40 -9.363 -2.498 -1.682 1.00 32.13 H new ATOM 0 HB3 LYS B 40 -8.077 -2.651 -0.501 1.00 32.13 H new ATOM 0 HG2 LYS B 40 -10.587 -0.950 -0.138 1.00 73.35 H new ATOM 0 HG3 LYS B 40 -10.353 -2.551 0.535 1.00 73.35 H new ATOM 0 HD2 LYS B 40 -8.330 -1.647 1.795 1.00 1.51 H new ATOM 0 HD3 LYS B 40 -8.751 -0.045 1.221 1.00 1.51 H new ATOM 0 HE2 LYS B 40 -10.479 -1.842 2.984 1.00 22.45 H new ATOM 0 HE3 LYS B 40 -9.627 -0.399 3.498 1.00 22.45 H new ATOM 0 HZ1 LYS B 40 -11.907 0.130 3.155 1.00 73.43 H new ATOM 0 HZ2 LYS B 40 -11.016 0.882 1.920 1.00 73.43 H new ATOM 0 HZ3 LYS B 40 -11.901 -0.529 1.590 1.00 73.43 H new ATOM 1904 N ASP B 41 -7.905 -1.278 -3.885 1.00 35.53 N ATOM 1905 CA ASP B 41 -7.230 -1.645 -5.150 1.00 72.13 C ATOM 1906 C ASP B 41 -6.151 -0.606 -5.521 1.00 54.34 C ATOM 1907 O ASP B 41 -5.065 -0.957 -6.002 1.00 52.31 O ATOM 1908 CB ASP B 41 -8.266 -1.744 -6.297 1.00 1.23 C ATOM 1909 CG ASP B 41 -9.393 -2.757 -6.058 1.00 14.45 C ATOM 1910 OD1 ASP B 41 -9.172 -3.772 -5.363 1.00 31.02 O ATOM 1911 OD2 ASP B 41 -10.512 -2.543 -6.587 1.00 10.22 O ATOM 0 H ASP B 41 -8.906 -1.115 -3.989 1.00 35.53 H new ATOM 0 HA ASP B 41 -6.749 -2.613 -5.007 1.00 72.13 H new ATOM 0 HB2 ASP B 41 -8.708 -0.760 -6.455 1.00 1.23 H new ATOM 0 HB3 ASP B 41 -7.745 -2.011 -7.217 1.00 1.23 H new ATOM 1916 N PHE B 42 -6.473 0.677 -5.264 1.00 73.21 N ATOM 1917 CA PHE B 42 -5.559 1.795 -5.532 1.00 71.43 C ATOM 1918 C PHE B 42 -4.368 1.801 -4.542 1.00 64.31 C ATOM 1919 O PHE B 42 -3.254 2.099 -4.941 1.00 3.44 O ATOM 1920 CB PHE B 42 -6.303 3.157 -5.491 1.00 34.14 C ATOM 1921 CG PHE B 42 -5.403 4.350 -5.836 1.00 30.02 C ATOM 1922 CD1 PHE B 42 -4.986 4.563 -7.149 1.00 42.23 C ATOM 1923 CD2 PHE B 42 -4.936 5.225 -4.850 1.00 60.53 C ATOM 1924 CE1 PHE B 42 -4.152 5.613 -7.467 1.00 13.41 C ATOM 1925 CE2 PHE B 42 -4.097 6.277 -5.173 1.00 50.34 C ATOM 1926 CZ PHE B 42 -3.701 6.467 -6.485 1.00 32.11 C ATOM 0 H PHE B 42 -7.369 0.962 -4.868 1.00 73.21 H new ATOM 0 HA PHE B 42 -5.165 1.653 -6.538 1.00 71.43 H new ATOM 0 HB2 PHE B 42 -7.139 3.128 -6.190 1.00 34.14 H new ATOM 0 HB3 PHE B 42 -6.724 3.304 -4.496 1.00 34.14 H new ATOM 0 HD1 PHE B 42 -5.322 3.895 -7.929 1.00 42.23 H new ATOM 0 HD2 PHE B 42 -5.234 5.078 -3.823 1.00 60.53 H new ATOM 0 HE1 PHE B 42 -3.850 5.767 -8.492 1.00 13.41 H new ATOM 0 HE2 PHE B 42 -3.752 6.949 -4.402 1.00 50.34 H new ATOM 0 HZ PHE B 42 -3.040 7.283 -6.738 1.00 32.11 H new ATOM 1936 N PHE B 43 -4.620 1.466 -3.261 1.00 22.45 N ATOM 1937 CA PHE B 43 -3.580 1.525 -2.192 1.00 31.31 C ATOM 1938 C PHE B 43 -2.532 0.399 -2.330 1.00 30.33 C ATOM 1939 O PHE B 43 -1.333 0.643 -2.191 1.00 5.13 O ATOM 1940 CB PHE B 43 -4.229 1.460 -0.788 1.00 24.34 C ATOM 1941 CG PHE B 43 -5.264 2.548 -0.509 1.00 42.13 C ATOM 1942 CD1 PHE B 43 -5.077 3.861 -0.948 1.00 50.41 C ATOM 1943 CD2 PHE B 43 -6.423 2.251 0.199 1.00 12.53 C ATOM 1944 CE1 PHE B 43 -6.017 4.837 -0.685 1.00 70.31 C ATOM 1945 CE2 PHE B 43 -7.357 3.222 0.459 1.00 30.12 C ATOM 1946 CZ PHE B 43 -7.162 4.516 0.014 1.00 11.10 C ATOM 0 H PHE B 43 -5.533 1.150 -2.932 1.00 22.45 H new ATOM 0 HA PHE B 43 -3.065 2.478 -2.311 1.00 31.31 H new ATOM 0 HB2 PHE B 43 -4.705 0.487 -0.668 1.00 24.34 H new ATOM 0 HB3 PHE B 43 -3.442 1.525 -0.036 1.00 24.34 H new ATOM 0 HD1 PHE B 43 -4.185 4.116 -1.501 1.00 50.41 H new ATOM 0 HD2 PHE B 43 -6.590 1.243 0.549 1.00 12.53 H new ATOM 0 HE1 PHE B 43 -5.856 5.849 -1.026 1.00 70.31 H new ATOM 0 HE2 PHE B 43 -8.249 2.974 1.014 1.00 30.12 H new ATOM 0 HZ PHE B 43 -7.905 5.274 0.213 1.00 11.10 H new ATOM 1956 N LEU B 44 -3.007 -0.833 -2.600 1.00 15.13 N ATOM 1957 CA LEU B 44 -2.129 -2.020 -2.792 1.00 71.14 C ATOM 1958 C LEU B 44 -1.272 -1.879 -4.079 1.00 54.11 C ATOM 1959 O LEU B 44 -0.138 -2.368 -4.137 1.00 11.13 O ATOM 1960 CB LEU B 44 -2.974 -3.336 -2.810 1.00 64.33 C ATOM 1961 CG LEU B 44 -3.376 -3.935 -1.411 1.00 51.40 C ATOM 1962 CD1 LEU B 44 -4.193 -2.947 -0.543 1.00 62.32 C ATOM 1963 CD2 LEU B 44 -4.132 -5.276 -1.574 1.00 74.14 C ATOM 0 H LEU B 44 -4.002 -1.040 -2.692 1.00 15.13 H new ATOM 0 HA LEU B 44 -1.443 -2.075 -1.947 1.00 71.14 H new ATOM 0 HB2 LEU B 44 -3.887 -3.147 -3.375 1.00 64.33 H new ATOM 0 HB3 LEU B 44 -2.413 -4.094 -3.356 1.00 64.33 H new ATOM 0 HG LEU B 44 -2.443 -4.122 -0.879 1.00 51.40 H new ATOM 0 HD11 LEU B 44 -4.440 -3.417 0.409 1.00 62.32 H new ATOM 0 HD12 LEU B 44 -3.603 -2.049 -0.361 1.00 62.32 H new ATOM 0 HD13 LEU B 44 -5.112 -2.678 -1.064 1.00 62.32 H new ATOM 0 HD21 LEU B 44 -4.397 -5.666 -0.591 1.00 74.14 H new ATOM 0 HD22 LEU B 44 -5.039 -5.114 -2.157 1.00 74.14 H new ATOM 0 HD23 LEU B 44 -3.493 -5.994 -2.089 1.00 74.14 H new ATOM 1975 N GLY B 45 -1.833 -1.191 -5.094 1.00 40.13 N ATOM 1976 CA GLY B 45 -1.088 -0.850 -6.313 1.00 54.41 C ATOM 1977 C GLY B 45 -0.072 0.286 -6.106 1.00 54.34 C ATOM 1978 O GLY B 45 1.106 0.141 -6.433 1.00 5.15 O ATOM 0 H GLY B 45 -2.799 -0.863 -5.089 1.00 40.13 H new ATOM 0 HA2 GLY B 45 -0.564 -1.736 -6.670 1.00 54.41 H new ATOM 0 HA3 GLY B 45 -1.793 -0.560 -7.092 1.00 54.41 H new ATOM 1982 N LEU B 46 -0.537 1.400 -5.512 1.00 40.23 N ATOM 1983 CA LEU B 46 0.282 2.623 -5.278 1.00 61.14 C ATOM 1984 C LEU B 46 1.449 2.352 -4.299 1.00 35.00 C ATOM 1985 O LEU B 46 2.515 2.958 -4.410 1.00 30.22 O ATOM 1986 CB LEU B 46 -0.603 3.774 -4.722 1.00 64.43 C ATOM 1987 CG LEU B 46 0.128 5.132 -4.456 1.00 52.33 C ATOM 1988 CD1 LEU B 46 0.640 5.760 -5.771 1.00 1.45 C ATOM 1989 CD2 LEU B 46 -0.768 6.112 -3.660 1.00 3.22 C ATOM 0 H LEU B 46 -1.496 1.486 -5.176 1.00 40.23 H new ATOM 0 HA LEU B 46 0.703 2.918 -6.239 1.00 61.14 H new ATOM 0 HB2 LEU B 46 -1.416 3.953 -5.426 1.00 64.43 H new ATOM 0 HB3 LEU B 46 -1.057 3.439 -3.789 1.00 64.43 H new ATOM 0 HG LEU B 46 1.000 4.922 -3.837 1.00 52.33 H new ATOM 0 HD11 LEU B 46 1.143 6.702 -5.553 1.00 1.45 H new ATOM 0 HD12 LEU B 46 1.341 5.077 -6.252 1.00 1.45 H new ATOM 0 HD13 LEU B 46 -0.202 5.944 -6.438 1.00 1.45 H new ATOM 0 HD21 LEU B 46 -0.229 7.044 -3.493 1.00 3.22 H new ATOM 0 HD22 LEU B 46 -1.677 6.315 -4.226 1.00 3.22 H new ATOM 0 HD23 LEU B 46 -1.030 5.668 -2.700 1.00 3.22 H new ATOM 2001 N GLY B 47 1.221 1.425 -3.361 1.00 14.43 N ATOM 2002 CA GLY B 47 2.241 0.998 -2.388 1.00 12.15 C ATOM 2003 C GLY B 47 3.488 0.403 -3.056 1.00 12.54 C ATOM 2004 O GLY B 47 4.608 0.527 -2.544 1.00 42.42 O ATOM 0 H GLY B 47 0.326 0.948 -3.253 1.00 14.43 H new ATOM 0 HA2 GLY B 47 2.534 1.852 -1.777 1.00 12.15 H new ATOM 0 HA3 GLY B 47 1.807 0.259 -1.715 1.00 12.15 H new ATOM 2008 N TRP B 48 3.275 -0.238 -4.222 1.00 63.20 N ATOM 2009 CA TRP B 48 4.360 -0.771 -5.064 1.00 31.31 C ATOM 2010 C TRP B 48 5.065 0.367 -5.861 1.00 40.33 C ATOM 2011 O TRP B 48 6.271 0.324 -6.119 1.00 22.24 O ATOM 2012 CB TRP B 48 3.808 -1.846 -6.028 1.00 1.11 C ATOM 2013 CG TRP B 48 4.869 -2.765 -6.585 1.00 52.35 C ATOM 2014 CD1 TRP B 48 5.812 -2.482 -7.533 1.00 13.32 C ATOM 2015 CD2 TRP B 48 5.085 -4.123 -6.210 1.00 23.20 C ATOM 2016 NE1 TRP B 48 6.627 -3.563 -7.721 1.00 55.52 N ATOM 2017 CE2 TRP B 48 6.187 -4.592 -6.938 1.00 40.42 C ATOM 2018 CE3 TRP B 48 4.450 -4.980 -5.318 1.00 63.03 C ATOM 2019 CZ2 TRP B 48 6.674 -5.886 -6.797 1.00 71.30 C ATOM 2020 CZ3 TRP B 48 4.925 -6.260 -5.183 1.00 24.12 C ATOM 2021 CH2 TRP B 48 6.030 -6.709 -5.919 1.00 64.41 C ATOM 0 H TRP B 48 2.344 -0.400 -4.606 1.00 63.20 H new ATOM 0 HA TRP B 48 5.102 -1.230 -4.411 1.00 31.31 H new ATOM 0 HB2 TRP B 48 3.062 -2.443 -5.503 1.00 1.11 H new ATOM 0 HB3 TRP B 48 3.297 -1.352 -6.855 1.00 1.11 H new ATOM 0 HD1 TRP B 48 5.900 -1.542 -8.057 1.00 13.32 H new ATOM 0 HE1 TRP B 48 7.433 -3.596 -8.345 1.00 55.52 H new ATOM 0 HE3 TRP B 48 3.600 -4.645 -4.743 1.00 63.03 H new ATOM 0 HZ2 TRP B 48 7.530 -6.227 -7.361 1.00 71.30 H new ATOM 0 HZ3 TRP B 48 4.437 -6.935 -4.496 1.00 24.12 H new ATOM 0 HH2 TRP B 48 6.378 -7.723 -5.789 1.00 64.41 H new ATOM 2032 N LEU B 49 4.297 1.378 -6.259 1.00 5.43 N ATOM 2033 CA LEU B 49 4.851 2.586 -6.922 1.00 23.14 C ATOM 2034 C LEU B 49 5.754 3.390 -5.939 1.00 2.23 C ATOM 2035 O LEU B 49 6.721 4.043 -6.351 1.00 21.04 O ATOM 2036 CB LEU B 49 3.696 3.454 -7.490 1.00 60.01 C ATOM 2037 CG LEU B 49 3.047 2.995 -8.843 1.00 62.52 C ATOM 2038 CD1 LEU B 49 2.672 1.513 -8.842 1.00 54.35 C ATOM 2039 CD2 LEU B 49 1.814 3.862 -9.170 1.00 74.32 C ATOM 0 H LEU B 49 3.284 1.397 -6.139 1.00 5.43 H new ATOM 0 HA LEU B 49 5.482 2.279 -7.756 1.00 23.14 H new ATOM 0 HB2 LEU B 49 2.909 3.501 -6.738 1.00 60.01 H new ATOM 0 HB3 LEU B 49 4.071 4.469 -7.623 1.00 60.01 H new ATOM 0 HG LEU B 49 3.800 3.132 -9.619 1.00 62.52 H new ATOM 0 HD11 LEU B 49 2.227 1.250 -9.802 1.00 54.35 H new ATOM 0 HD12 LEU B 49 3.566 0.912 -8.679 1.00 54.35 H new ATOM 0 HD13 LEU B 49 1.955 1.320 -8.044 1.00 54.35 H new ATOM 0 HD21 LEU B 49 1.376 3.531 -10.111 1.00 74.32 H new ATOM 0 HD22 LEU B 49 1.078 3.763 -8.372 1.00 74.32 H new ATOM 0 HD23 LEU B 49 2.116 4.906 -9.258 1.00 74.32 H new ATOM 2051 N LEU B 50 5.410 3.312 -4.640 1.00 34.52 N ATOM 2052 CA LEU B 50 6.223 3.855 -3.534 1.00 11.14 C ATOM 2053 C LEU B 50 7.440 2.940 -3.228 1.00 3.20 C ATOM 2054 O LEU B 50 8.515 3.442 -2.883 1.00 61.41 O ATOM 2055 CB LEU B 50 5.351 4.030 -2.255 1.00 73.22 C ATOM 2056 CG LEU B 50 4.155 5.032 -2.368 1.00 21.55 C ATOM 2057 CD1 LEU B 50 3.304 5.048 -1.074 1.00 41.23 C ATOM 2058 CD2 LEU B 50 4.642 6.453 -2.740 1.00 63.31 C ATOM 0 H LEU B 50 4.549 2.865 -4.324 1.00 34.52 H new ATOM 0 HA LEU B 50 6.600 4.830 -3.844 1.00 11.14 H new ATOM 0 HB2 LEU B 50 4.955 3.054 -1.974 1.00 73.22 H new ATOM 0 HB3 LEU B 50 5.998 4.358 -1.441 1.00 73.22 H new ATOM 0 HG LEU B 50 3.513 4.683 -3.177 1.00 21.55 H new ATOM 0 HD11 LEU B 50 2.482 5.755 -1.188 1.00 41.23 H new ATOM 0 HD12 LEU B 50 2.903 4.051 -0.890 1.00 41.23 H new ATOM 0 HD13 LEU B 50 3.928 5.349 -0.232 1.00 41.23 H new ATOM 0 HD21 LEU B 50 3.786 7.124 -2.810 1.00 63.31 H new ATOM 0 HD22 LEU B 50 5.326 6.816 -1.972 1.00 63.31 H new ATOM 0 HD23 LEU B 50 5.158 6.421 -3.700 1.00 63.31 H new ATOM 2070 N ARG B 51 7.252 1.596 -3.348 1.00 55.31 N ATOM 2071 CA ARG B 51 8.331 0.605 -3.057 1.00 14.12 C ATOM 2072 C ARG B 51 9.520 0.741 -4.041 1.00 63.04 C ATOM 2073 O ARG B 51 10.673 0.546 -3.653 1.00 44.24 O ATOM 2074 CB ARG B 51 7.781 -0.878 -2.989 1.00 64.31 C ATOM 2075 CG ARG B 51 7.681 -1.687 -4.319 1.00 63.54 C ATOM 2076 CD ARG B 51 8.902 -2.579 -4.648 1.00 62.12 C ATOM 2077 NE ARG B 51 8.979 -3.788 -3.814 1.00 40.23 N ATOM 2078 CZ ARG B 51 10.030 -4.571 -3.713 1.00 15.21 C ATOM 2079 NH1 ARG B 51 11.138 -4.303 -4.332 1.00 55.53 N ATOM 2080 NH2 ARG B 51 9.971 -5.616 -2.969 1.00 53.23 N ATOM 0 H ARG B 51 6.371 1.175 -3.642 1.00 55.31 H new ATOM 0 HA ARG B 51 8.713 0.839 -2.063 1.00 14.12 H new ATOM 0 HB2 ARG B 51 8.418 -1.439 -2.305 1.00 64.31 H new ATOM 0 HB3 ARG B 51 6.787 -0.845 -2.544 1.00 64.31 H new ATOM 0 HG2 ARG B 51 6.793 -2.318 -4.275 1.00 63.54 H new ATOM 0 HG3 ARG B 51 7.533 -0.986 -5.140 1.00 63.54 H new ATOM 0 HD2 ARG B 51 8.858 -2.872 -5.697 1.00 62.12 H new ATOM 0 HD3 ARG B 51 9.814 -1.997 -4.518 1.00 62.12 H new ATOM 0 HE ARG B 51 8.152 -4.038 -3.272 1.00 40.23 H new ATOM 0 HH11 ARG B 51 11.208 -3.468 -4.914 1.00 55.53 H new ATOM 0 HH12 ARG B 51 11.939 -4.927 -4.237 1.00 55.53 H new ATOM 0 HH21 ARG B 51 9.113 -5.833 -2.462 1.00 53.23 H new ATOM 0 HH22 ARG B 51 10.782 -6.229 -2.885 1.00 53.23 H new ATOM 2094 N GLU B 52 9.223 1.068 -5.320 1.00 5.23 N ATOM 2095 CA GLU B 52 10.259 1.320 -6.358 1.00 72.02 C ATOM 2096 C GLU B 52 10.579 2.827 -6.519 1.00 4.34 C ATOM 2097 O GLU B 52 11.392 3.191 -7.377 1.00 65.24 O ATOM 2098 CB GLU B 52 9.827 0.705 -7.721 1.00 31.34 C ATOM 2099 CG GLU B 52 9.742 -0.837 -7.726 1.00 4.23 C ATOM 2100 CD GLU B 52 9.555 -1.434 -9.129 1.00 40.10 C ATOM 2101 OE1 GLU B 52 10.544 -1.497 -9.894 1.00 51.10 O ATOM 2102 OE2 GLU B 52 8.429 -1.841 -9.483 1.00 24.34 O ATOM 0 H GLU B 52 8.267 1.165 -5.663 1.00 5.23 H new ATOM 0 HA GLU B 52 11.174 0.833 -6.022 1.00 72.02 H new ATOM 0 HB2 GLU B 52 8.854 1.111 -7.997 1.00 31.34 H new ATOM 0 HB3 GLU B 52 10.534 1.020 -8.489 1.00 31.34 H new ATOM 0 HG2 GLU B 52 10.651 -1.245 -7.284 1.00 4.23 H new ATOM 0 HG3 GLU B 52 8.912 -1.150 -7.093 1.00 4.23 H new ATOM 2109 N ASP B 53 9.910 3.695 -5.714 1.00 2.14 N ATOM 2110 CA ASP B 53 10.152 5.169 -5.677 1.00 1.41 C ATOM 2111 C ASP B 53 9.816 5.854 -7.035 1.00 22.03 C ATOM 2112 O ASP B 53 10.172 7.016 -7.255 1.00 2.45 O ATOM 2113 CB ASP B 53 11.617 5.491 -5.253 1.00 4.35 C ATOM 2114 CG ASP B 53 12.016 4.860 -3.908 1.00 11.01 C ATOM 2115 OD1 ASP B 53 11.765 5.482 -2.847 1.00 25.14 O ATOM 2116 OD2 ASP B 53 12.579 3.742 -3.906 1.00 1.00 O ATOM 0 H ASP B 53 9.182 3.393 -5.067 1.00 2.14 H new ATOM 0 HA ASP B 53 9.476 5.578 -4.926 1.00 1.41 H new ATOM 0 HB2 ASP B 53 12.298 5.138 -6.028 1.00 4.35 H new ATOM 0 HB3 ASP B 53 11.740 6.572 -5.189 1.00 4.35 H new ATOM 2121 N LYS B 54 9.083 5.134 -7.915 1.00 43.11 N ATOM 2122 CA LYS B 54 8.799 5.568 -9.309 1.00 23.45 C ATOM 2123 C LYS B 54 7.583 6.517 -9.394 1.00 4.12 C ATOM 2124 O LYS B 54 7.154 6.894 -10.489 1.00 41.21 O ATOM 2125 CB LYS B 54 8.613 4.317 -10.211 1.00 50.00 C ATOM 2126 CG LYS B 54 7.535 3.318 -9.722 1.00 11.30 C ATOM 2127 CD LYS B 54 7.521 2.017 -10.555 1.00 3.40 C ATOM 2128 CE LYS B 54 6.485 0.999 -10.057 1.00 60.40 C ATOM 2129 NZ LYS B 54 6.503 -0.243 -10.871 1.00 41.14 N ATOM 0 H LYS B 54 8.669 4.232 -7.681 1.00 43.11 H new ATOM 0 HA LYS B 54 9.652 6.143 -9.668 1.00 23.45 H new ATOM 0 HB2 LYS B 54 8.353 4.647 -11.217 1.00 50.00 H new ATOM 0 HB3 LYS B 54 9.567 3.794 -10.284 1.00 50.00 H new ATOM 0 HG2 LYS B 54 7.716 3.075 -8.675 1.00 11.30 H new ATOM 0 HG3 LYS B 54 6.554 3.791 -9.774 1.00 11.30 H new ATOM 0 HD2 LYS B 54 7.312 2.261 -11.597 1.00 3.40 H new ATOM 0 HD3 LYS B 54 8.512 1.563 -10.527 1.00 3.40 H new ATOM 0 HE2 LYS B 54 6.687 0.754 -9.014 1.00 60.40 H new ATOM 0 HE3 LYS B 54 5.491 1.444 -10.093 1.00 60.40 H new ATOM 0 HZ1 LYS B 54 5.552 -0.664 -10.882 1.00 41.14 H new ATOM 0 HZ2 LYS B 54 6.793 -0.016 -11.844 1.00 41.14 H new ATOM 0 HZ3 LYS B 54 7.176 -0.919 -10.458 1.00 41.14 H new ATOM 2143 N VAL B 55 7.046 6.910 -8.223 1.00 43.21 N ATOM 2144 CA VAL B 55 6.091 8.030 -8.095 1.00 51.55 C ATOM 2145 C VAL B 55 6.435 8.896 -6.865 1.00 2.33 C ATOM 2146 O VAL B 55 7.286 8.543 -6.040 1.00 20.44 O ATOM 2147 CB VAL B 55 4.578 7.580 -7.977 1.00 41.12 C ATOM 2148 CG1 VAL B 55 4.128 6.753 -9.200 1.00 14.23 C ATOM 2149 CG2 VAL B 55 4.306 6.834 -6.644 1.00 13.24 C ATOM 0 H VAL B 55 7.263 6.458 -7.335 1.00 43.21 H new ATOM 0 HA VAL B 55 6.193 8.597 -9.020 1.00 51.55 H new ATOM 0 HB VAL B 55 3.973 8.486 -7.967 1.00 41.12 H new ATOM 0 HG11 VAL B 55 3.084 6.464 -9.080 1.00 14.23 H new ATOM 0 HG12 VAL B 55 4.237 7.352 -10.104 1.00 14.23 H new ATOM 0 HG13 VAL B 55 4.745 5.858 -9.281 1.00 14.23 H new ATOM 0 HG21 VAL B 55 3.257 6.541 -6.599 1.00 13.24 H new ATOM 0 HG22 VAL B 55 4.934 5.945 -6.590 1.00 13.24 H new ATOM 0 HG23 VAL B 55 4.535 7.492 -5.806 1.00 13.24 H new ATOM 2159 N VAL B 56 5.736 10.028 -6.766 1.00 74.23 N ATOM 2160 CA VAL B 56 5.731 10.894 -5.585 1.00 12.12 C ATOM 2161 C VAL B 56 4.314 11.472 -5.404 1.00 71.11 C ATOM 2162 O VAL B 56 3.621 11.778 -6.385 1.00 51.22 O ATOM 2163 CB VAL B 56 6.830 12.023 -5.678 1.00 71.04 C ATOM 2164 CG1 VAL B 56 6.649 12.888 -6.943 1.00 73.32 C ATOM 2165 CG2 VAL B 56 6.877 12.899 -4.398 1.00 4.13 C ATOM 0 H VAL B 56 5.145 10.376 -7.521 1.00 74.23 H new ATOM 0 HA VAL B 56 5.990 10.306 -4.704 1.00 12.12 H new ATOM 0 HB VAL B 56 7.793 11.519 -5.757 1.00 71.04 H new ATOM 0 HG11 VAL B 56 7.423 13.655 -6.973 1.00 73.32 H new ATOM 0 HG12 VAL B 56 6.727 12.258 -7.829 1.00 73.32 H new ATOM 0 HG13 VAL B 56 5.668 13.363 -6.921 1.00 73.32 H new ATOM 0 HG21 VAL B 56 7.648 13.662 -4.507 1.00 4.13 H new ATOM 0 HG22 VAL B 56 5.910 13.379 -4.250 1.00 4.13 H new ATOM 0 HG23 VAL B 56 7.107 12.272 -3.536 1.00 4.13 H new ATOM 2175 N THR B 57 3.895 11.639 -4.147 1.00 32.45 N ATOM 2176 CA THR B 57 2.495 11.937 -3.799 1.00 5.44 C ATOM 2177 C THR B 57 2.295 13.436 -3.511 1.00 31.10 C ATOM 2178 O THR B 57 3.246 14.155 -3.182 1.00 71.52 O ATOM 2179 CB THR B 57 2.068 11.121 -2.535 1.00 50.44 C ATOM 2180 OG1 THR B 57 2.883 11.500 -1.414 1.00 64.52 O ATOM 2181 CG2 THR B 57 2.198 9.599 -2.750 1.00 52.11 C ATOM 0 H THR B 57 4.513 11.572 -3.339 1.00 32.45 H new ATOM 0 HA THR B 57 1.879 11.656 -4.653 1.00 5.44 H new ATOM 0 HB THR B 57 1.019 11.349 -2.345 1.00 50.44 H new ATOM 0 HG1 THR B 57 3.483 10.761 -1.181 1.00 64.52 H new ATOM 0 HG21 THR B 57 1.890 9.076 -1.845 1.00 52.11 H new ATOM 0 HG22 THR B 57 1.561 9.293 -3.580 1.00 52.11 H new ATOM 0 HG23 THR B 57 3.235 9.351 -2.977 1.00 52.11 H new ATOM 2189 N SER B 58 1.051 13.891 -3.674 1.00 2.24 N ATOM 2190 CA SER B 58 0.630 15.273 -3.358 1.00 14.41 C ATOM 2191 C SER B 58 -0.824 15.279 -2.860 1.00 63.12 C ATOM 2192 O SER B 58 -1.581 14.333 -3.094 1.00 73.12 O ATOM 2193 CB SER B 58 0.756 16.188 -4.605 1.00 4.42 C ATOM 2194 OG SER B 58 0.363 17.529 -4.331 1.00 55.01 O ATOM 0 H SER B 58 0.293 13.310 -4.033 1.00 2.24 H new ATOM 0 HA SER B 58 1.285 15.658 -2.576 1.00 14.41 H new ATOM 0 HB2 SER B 58 1.787 16.178 -4.958 1.00 4.42 H new ATOM 0 HB3 SER B 58 0.140 15.788 -5.410 1.00 4.42 H new ATOM 0 HG SER B 58 0.460 18.070 -5.142 1.00 55.01 H new ATOM 2200 N GLU B 59 -1.195 16.355 -2.173 1.00 10.41 N ATOM 2201 CA GLU B 59 -2.573 16.603 -1.724 1.00 14.24 C ATOM 2202 C GLU B 59 -3.179 17.732 -2.579 1.00 30.55 C ATOM 2203 O GLU B 59 -2.648 18.840 -2.605 1.00 65.53 O ATOM 2204 CB GLU B 59 -2.553 16.952 -0.199 1.00 13.20 C ATOM 2205 CG GLU B 59 -3.904 17.399 0.439 1.00 41.31 C ATOM 2206 CD GLU B 59 -4.207 18.910 0.320 1.00 72.14 C ATOM 2207 OE1 GLU B 59 -3.258 19.723 0.230 1.00 61.11 O ATOM 2208 OE2 GLU B 59 -5.387 19.295 0.320 1.00 12.44 O ATOM 0 H GLU B 59 -0.543 17.093 -1.906 1.00 10.41 H new ATOM 0 HA GLU B 59 -3.198 15.719 -1.852 1.00 14.24 H new ATOM 0 HB2 GLU B 59 -2.194 16.078 0.345 1.00 13.20 H new ATOM 0 HB3 GLU B 59 -1.824 17.747 -0.042 1.00 13.20 H new ATOM 0 HG2 GLU B 59 -4.714 16.842 -0.032 1.00 41.31 H new ATOM 0 HG3 GLU B 59 -3.900 17.125 1.494 1.00 41.31 H new ATOM 2215 N VAL B 60 -4.252 17.436 -3.330 1.00 43.30 N ATOM 2216 CA VAL B 60 -5.055 18.468 -4.029 1.00 73.44 C ATOM 2217 C VAL B 60 -6.482 18.523 -3.447 1.00 2.13 C ATOM 2218 O VAL B 60 -7.288 17.623 -3.686 1.00 40.42 O ATOM 2219 CB VAL B 60 -5.089 18.188 -5.587 1.00 54.42 C ATOM 2220 CG1 VAL B 60 -6.169 19.025 -6.322 1.00 75.30 C ATOM 2221 CG2 VAL B 60 -3.695 18.442 -6.206 1.00 53.43 C ATOM 0 H VAL B 60 -4.590 16.484 -3.473 1.00 43.30 H new ATOM 0 HA VAL B 60 -4.585 19.439 -3.872 1.00 73.44 H new ATOM 0 HB VAL B 60 -5.359 17.140 -5.718 1.00 54.42 H new ATOM 0 HG11 VAL B 60 -6.147 18.793 -7.387 1.00 75.30 H new ATOM 0 HG12 VAL B 60 -7.153 18.785 -5.918 1.00 75.30 H new ATOM 0 HG13 VAL B 60 -5.967 20.086 -6.178 1.00 75.30 H new ATOM 0 HG21 VAL B 60 -3.732 18.246 -7.278 1.00 53.43 H new ATOM 0 HG22 VAL B 60 -3.405 19.479 -6.036 1.00 53.43 H new ATOM 0 HG23 VAL B 60 -2.964 17.780 -5.741 1.00 53.43 H new ATOM 2231 N GLU B 61 -6.769 19.606 -2.694 1.00 11.40 N ATOM 2232 CA GLU B 61 -8.117 19.916 -2.141 1.00 25.41 C ATOM 2233 C GLU B 61 -8.711 18.746 -1.301 1.00 12.22 C ATOM 2234 O GLU B 61 -9.931 18.541 -1.260 1.00 45.23 O ATOM 2235 CB GLU B 61 -9.071 20.345 -3.302 1.00 5.34 C ATOM 2236 CG GLU B 61 -8.468 21.416 -4.237 1.00 63.04 C ATOM 2237 CD GLU B 61 -9.433 21.925 -5.318 1.00 73.13 C ATOM 2238 OE1 GLU B 61 -9.683 21.183 -6.289 1.00 33.35 O ATOM 2239 OE2 GLU B 61 -9.932 23.069 -5.209 1.00 22.14 O ATOM 0 H GLU B 61 -6.066 20.302 -2.446 1.00 11.40 H new ATOM 0 HA GLU B 61 -8.012 20.747 -1.443 1.00 25.41 H new ATOM 0 HB2 GLU B 61 -9.330 19.465 -3.891 1.00 5.34 H new ATOM 0 HB3 GLU B 61 -9.998 20.728 -2.876 1.00 5.34 H new ATOM 0 HG2 GLU B 61 -8.136 22.262 -3.635 1.00 63.04 H new ATOM 0 HG3 GLU B 61 -7.583 21.003 -4.721 1.00 63.04 H new ATOM 2246 N GLY B 62 -7.821 18.003 -0.613 1.00 3.30 N ATOM 2247 CA GLY B 62 -8.208 16.851 0.214 1.00 53.44 C ATOM 2248 C GLY B 62 -8.225 15.516 -0.543 1.00 64.35 C ATOM 2249 O GLY B 62 -8.767 14.519 -0.045 1.00 13.14 O ATOM 0 H GLY B 62 -6.818 18.187 -0.617 1.00 3.30 H new ATOM 0 HA2 GLY B 62 -7.518 16.772 1.054 1.00 53.44 H new ATOM 0 HA3 GLY B 62 -9.198 17.033 0.631 1.00 53.44 H new ATOM 2253 N GLU B 63 -7.636 15.489 -1.750 1.00 71.42 N ATOM 2254 CA GLU B 63 -7.588 14.283 -2.610 1.00 43.13 C ATOM 2255 C GLU B 63 -6.137 13.782 -2.815 1.00 43.30 C ATOM 2256 O GLU B 63 -5.197 14.584 -2.873 1.00 20.43 O ATOM 2257 CB GLU B 63 -8.241 14.606 -3.988 1.00 11.13 C ATOM 2258 CG GLU B 63 -8.472 13.388 -4.900 1.00 65.31 C ATOM 2259 CD GLU B 63 -9.484 12.391 -4.314 1.00 14.22 C ATOM 2260 OE1 GLU B 63 -9.083 11.490 -3.552 1.00 22.15 O ATOM 2261 OE2 GLU B 63 -10.693 12.518 -4.589 1.00 12.15 O ATOM 0 H GLU B 63 -7.177 16.301 -2.162 1.00 71.42 H new ATOM 0 HA GLU B 63 -8.142 13.487 -2.112 1.00 43.13 H new ATOM 0 HB2 GLU B 63 -9.198 15.097 -3.813 1.00 11.13 H new ATOM 0 HB3 GLU B 63 -7.608 15.320 -4.515 1.00 11.13 H new ATOM 0 HG2 GLU B 63 -8.826 13.730 -5.873 1.00 65.31 H new ATOM 0 HG3 GLU B 63 -7.523 12.879 -5.067 1.00 65.31 H new ATOM 2268 N ILE B 64 -5.969 12.446 -2.933 1.00 3.40 N ATOM 2269 CA ILE B 64 -4.663 11.820 -3.245 1.00 21.44 C ATOM 2270 C ILE B 64 -4.312 12.019 -4.746 1.00 60.12 C ATOM 2271 O ILE B 64 -4.928 11.411 -5.623 1.00 41.32 O ATOM 2272 CB ILE B 64 -4.658 10.284 -2.875 1.00 3.10 C ATOM 2273 CG1 ILE B 64 -4.977 10.084 -1.354 1.00 71.13 C ATOM 2274 CG2 ILE B 64 -3.311 9.610 -3.254 1.00 12.40 C ATOM 2275 CD1 ILE B 64 -5.020 8.632 -0.885 1.00 63.41 C ATOM 0 H ILE B 64 -6.728 11.775 -2.816 1.00 3.40 H new ATOM 0 HA ILE B 64 -3.903 12.311 -2.638 1.00 21.44 H new ATOM 0 HB ILE B 64 -5.440 9.798 -3.458 1.00 3.10 H new ATOM 0 HG12 ILE B 64 -4.227 10.616 -0.769 1.00 71.13 H new ATOM 0 HG13 ILE B 64 -5.939 10.548 -1.137 1.00 71.13 H new ATOM 0 HG21 ILE B 64 -3.344 8.554 -2.985 1.00 12.40 H new ATOM 0 HG22 ILE B 64 -3.145 9.706 -4.327 1.00 12.40 H new ATOM 0 HG23 ILE B 64 -2.497 10.096 -2.716 1.00 12.40 H new ATOM 0 HD11 ILE B 64 -5.248 8.600 0.180 1.00 63.41 H new ATOM 0 HD12 ILE B 64 -5.791 8.094 -1.437 1.00 63.41 H new ATOM 0 HD13 ILE B 64 -4.052 8.163 -1.063 1.00 63.41 H new ATOM 2287 N PHE B 65 -3.321 12.890 -5.010 1.00 3.33 N ATOM 2288 CA PHE B 65 -2.845 13.238 -6.371 1.00 21.20 C ATOM 2289 C PHE B 65 -1.376 12.769 -6.539 1.00 30.42 C ATOM 2290 O PHE B 65 -0.452 13.386 -6.005 1.00 25.11 O ATOM 2291 CB PHE B 65 -2.976 14.775 -6.580 1.00 72.14 C ATOM 2292 CG PHE B 65 -2.576 15.288 -7.970 1.00 32.12 C ATOM 2293 CD1 PHE B 65 -3.487 15.281 -9.026 1.00 63.24 C ATOM 2294 CD2 PHE B 65 -1.295 15.796 -8.215 1.00 2.31 C ATOM 2295 CE1 PHE B 65 -3.134 15.749 -10.275 1.00 5.54 C ATOM 2296 CE2 PHE B 65 -0.944 16.262 -9.465 1.00 4.33 C ATOM 2297 CZ PHE B 65 -1.864 16.244 -10.494 1.00 62.43 C ATOM 0 H PHE B 65 -2.816 13.383 -4.273 1.00 3.33 H new ATOM 0 HA PHE B 65 -3.450 12.735 -7.125 1.00 21.20 H new ATOM 0 HB2 PHE B 65 -4.010 15.064 -6.389 1.00 72.14 H new ATOM 0 HB3 PHE B 65 -2.361 15.279 -5.835 1.00 72.14 H new ATOM 0 HD1 PHE B 65 -4.485 14.903 -8.863 1.00 63.24 H new ATOM 0 HD2 PHE B 65 -0.571 15.824 -7.414 1.00 2.31 H new ATOM 0 HE1 PHE B 65 -3.852 15.728 -11.082 1.00 5.54 H new ATOM 0 HE2 PHE B 65 0.052 16.641 -9.639 1.00 4.33 H new ATOM 0 HZ PHE B 65 -1.590 16.617 -11.470 1.00 62.43 H new ATOM 2307 N VAL B 66 -1.166 11.667 -7.268 1.00 61.24 N ATOM 2308 CA VAL B 66 0.179 11.054 -7.445 1.00 23.33 C ATOM 2309 C VAL B 66 0.706 11.237 -8.889 1.00 2.24 C ATOM 2310 O VAL B 66 -0.076 11.448 -9.817 1.00 15.52 O ATOM 2311 CB VAL B 66 0.150 9.536 -7.043 1.00 41.22 C ATOM 2312 CG1 VAL B 66 -0.232 9.372 -5.553 1.00 14.12 C ATOM 2313 CG2 VAL B 66 -0.814 8.729 -7.941 1.00 70.32 C ATOM 0 H VAL B 66 -1.911 11.168 -7.754 1.00 61.24 H new ATOM 0 HA VAL B 66 0.871 11.573 -6.781 1.00 23.33 H new ATOM 0 HB VAL B 66 1.154 9.138 -7.191 1.00 41.22 H new ATOM 0 HG11 VAL B 66 -0.246 8.313 -5.295 1.00 14.12 H new ATOM 0 HG12 VAL B 66 0.500 9.887 -4.931 1.00 14.12 H new ATOM 0 HG13 VAL B 66 -1.219 9.800 -5.381 1.00 14.12 H new ATOM 0 HG21 VAL B 66 -0.808 7.683 -7.634 1.00 70.32 H new ATOM 0 HG22 VAL B 66 -1.823 9.130 -7.844 1.00 70.32 H new ATOM 0 HG23 VAL B 66 -0.492 8.804 -8.980 1.00 70.32 H new ATOM 2323 N LYS B 67 2.049 11.181 -9.056 1.00 34.14 N ATOM 2324 CA LYS B 67 2.717 11.449 -10.367 1.00 31.43 C ATOM 2325 C LYS B 67 4.126 10.826 -10.430 1.00 42.32 C ATOM 2326 O LYS B 67 4.763 10.666 -9.398 1.00 43.33 O ATOM 2327 CB LYS B 67 2.801 12.977 -10.656 1.00 45.44 C ATOM 2328 CG LYS B 67 3.415 13.871 -9.542 1.00 11.35 C ATOM 2329 CD LYS B 67 2.391 14.299 -8.459 1.00 52.23 C ATOM 2330 CE LYS B 67 2.942 15.363 -7.494 1.00 31.53 C ATOM 2331 NZ LYS B 67 4.085 14.872 -6.680 1.00 60.42 N ATOM 0 H LYS B 67 2.698 10.953 -8.303 1.00 34.14 H new ATOM 0 HA LYS B 67 2.102 10.979 -11.134 1.00 31.43 H new ATOM 0 HB2 LYS B 67 3.385 13.119 -11.565 1.00 45.44 H new ATOM 0 HB3 LYS B 67 1.794 13.339 -10.865 1.00 45.44 H new ATOM 0 HG2 LYS B 67 4.233 13.332 -9.064 1.00 11.35 H new ATOM 0 HG3 LYS B 67 3.844 14.763 -9.998 1.00 11.35 H new ATOM 0 HD2 LYS B 67 1.497 14.687 -8.946 1.00 52.23 H new ATOM 0 HD3 LYS B 67 2.087 13.422 -7.888 1.00 52.23 H new ATOM 0 HE2 LYS B 67 3.258 16.235 -8.066 1.00 31.53 H new ATOM 0 HE3 LYS B 67 2.143 15.691 -6.829 1.00 31.53 H new ATOM 0 HZ1 LYS B 67 4.114 15.386 -5.776 1.00 60.42 H new ATOM 0 HZ2 LYS B 67 3.969 13.855 -6.497 1.00 60.42 H new ATOM 0 HZ3 LYS B 67 4.973 15.031 -7.197 1.00 60.42 H new ATOM 2345 N LEU B 68 4.622 10.531 -11.658 1.00 11.44 N ATOM 2346 CA LEU B 68 5.918 9.817 -11.862 1.00 52.33 C ATOM 2347 C LEU B 68 7.148 10.691 -11.497 1.00 12.40 C ATOM 2348 O LEU B 68 7.764 11.306 -12.376 1.00 61.24 O ATOM 2349 CB LEU B 68 6.061 9.310 -13.329 1.00 20.05 C ATOM 2350 CG LEU B 68 4.956 8.351 -13.865 1.00 2.14 C ATOM 2351 CD1 LEU B 68 5.346 7.770 -15.244 1.00 31.34 C ATOM 2352 CD2 LEU B 68 4.638 7.228 -12.859 1.00 21.41 C ATOM 0 H LEU B 68 4.146 10.775 -12.527 1.00 11.44 H new ATOM 0 HA LEU B 68 5.898 8.964 -11.183 1.00 52.33 H new ATOM 0 HB2 LEU B 68 6.099 10.180 -13.984 1.00 20.05 H new ATOM 0 HB3 LEU B 68 7.021 8.802 -13.418 1.00 20.05 H new ATOM 0 HG LEU B 68 4.047 8.940 -13.991 1.00 2.14 H new ATOM 0 HD11 LEU B 68 4.557 7.104 -15.595 1.00 31.34 H new ATOM 0 HD12 LEU B 68 5.478 8.583 -15.957 1.00 31.34 H new ATOM 0 HD13 LEU B 68 6.278 7.212 -15.153 1.00 31.34 H new ATOM 0 HD21 LEU B 68 3.863 6.581 -13.269 1.00 21.41 H new ATOM 0 HD22 LEU B 68 5.538 6.642 -12.671 1.00 21.41 H new ATOM 0 HD23 LEU B 68 4.288 7.665 -11.924 1.00 21.41 H new ATOM 2364 N VAL B 69 7.463 10.767 -10.181 1.00 21.33 N ATOM 2365 CA VAL B 69 8.652 11.490 -9.641 1.00 22.55 C ATOM 2366 C VAL B 69 8.665 13.016 -10.050 1.00 12.03 C ATOM 2367 O VAL B 69 9.667 13.720 -9.927 1.00 45.32 O ATOM 2368 CB VAL B 69 9.989 10.713 -10.033 1.00 12.54 C ATOM 2369 CG1 VAL B 69 11.262 11.299 -9.365 1.00 41.12 C ATOM 2370 CG2 VAL B 69 9.859 9.216 -9.679 1.00 65.55 C ATOM 0 H VAL B 69 6.898 10.327 -9.455 1.00 21.33 H new ATOM 0 HA VAL B 69 8.590 11.497 -8.553 1.00 22.55 H new ATOM 0 HB VAL B 69 10.111 10.838 -11.109 1.00 12.54 H new ATOM 0 HG11 VAL B 69 12.134 10.723 -9.675 1.00 41.12 H new ATOM 0 HG12 VAL B 69 11.387 12.338 -9.669 1.00 41.12 H new ATOM 0 HG13 VAL B 69 11.160 11.248 -8.281 1.00 41.12 H new ATOM 0 HG21 VAL B 69 10.778 8.697 -9.951 1.00 65.55 H new ATOM 0 HG22 VAL B 69 9.685 9.109 -8.608 1.00 65.55 H new ATOM 0 HG23 VAL B 69 9.022 8.784 -10.227 1.00 65.55 H new