USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 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 30 THR OG1 : rot 66:sc= 0.495 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.803 K(o=-0.31,f=-3.1!) USER MOD Set 2.1: A 46 SER OG : rot -150:sc= 0.196 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -0.279 X(o=-0.084,f=-0.33) USER MOD Single : A 9 TYR OH : rot -24:sc= 0.204 USER MOD Single : A 10 HIS : no HD1:sc= 0.465 K(o=0.46,f=-1.5!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= -0.0297 (180deg=-0.0297) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.42) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.41! C(o=-2.4!,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -109:sc= 1.25 USER MOD Single : A 49 SER OG : rot -29:sc= -0.694 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -28:sc= 2.22 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 132:sc= -1.9! (180deg=-2.35!) USER MOD Single : A 69 CYS SG : rot 35:sc= 0.631 USER MOD Single : A 74 TYR OH : rot -28:sc= 0.939 USER MOD Single : A 75 THR OG1 : rot -140:sc= 0.604 USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.579 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0082 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.604 F(o=-1.7,f=-0.6) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -76:sc= 0.902 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 78:sc= 0.0331 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.292 USER MOD Single : B 9 SER OG : rot 39:sc= 0.0347 USER MOD Single : B 12 ASN : amide:sc=-0.00776 X(o=-0.0078,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.214 -5.254 -12.826 1.00 0.00 N ATOM 60 CA GLY A 7 4.101 -5.193 -11.895 1.00 0.00 C ATOM 61 C GLY A 7 4.347 -4.219 -10.761 1.00 0.00 C ATOM 62 O GLY A 7 5.254 -3.390 -10.832 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.198 -4.901 -12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.920 -6.186 -11.484 1.00 0.00 H new ATOM 66 N TRP A 8 3.536 -4.317 -9.714 1.00 0.00 N ATOM 67 CA TRP A 8 3.668 -3.436 -8.560 1.00 0.00 C ATOM 68 C TRP A 8 4.258 -4.183 -7.369 1.00 0.00 C ATOM 69 O TRP A 8 3.972 -3.857 -6.216 1.00 0.00 O ATOM 70 CB TRP A 8 2.309 -2.844 -8.185 1.00 0.00 C ATOM 71 CG TRP A 8 1.155 -3.724 -8.559 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.117 -3.407 -9.388 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.921 -5.066 -8.117 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.748 -4.470 -9.487 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.277 -5.501 -8.717 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.608 -5.943 -7.274 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.799 -6.772 -8.499 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.087 -7.204 -7.057 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.107 -7.611 -7.669 1.00 0.00 C ATOM 0 H TRP A 8 2.780 -4.998 -9.641 1.00 0.00 H new ATOM 0 HA TRP A 8 4.346 -2.626 -8.829 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.284 -2.661 -7.111 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.194 -1.877 -8.676 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.006 -2.460 -9.892 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.603 -4.489 -10.044 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.530 -5.641 -6.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.719 -7.086 -8.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.609 -7.888 -6.404 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.487 -8.604 -7.482 1.00 0.00 H new ATOM 90 N TYR A 9 5.082 -5.185 -7.654 1.00 0.00 N ATOM 91 CA TYR A 9 5.710 -5.980 -6.605 1.00 0.00 C ATOM 92 C TYR A 9 7.176 -5.593 -6.432 1.00 0.00 C ATOM 93 O TYR A 9 7.975 -5.713 -7.362 1.00 0.00 O ATOM 94 CB TYR A 9 5.598 -7.470 -6.929 1.00 0.00 C ATOM 95 CG TYR A 9 5.561 -8.355 -5.704 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.387 -8.525 -4.981 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.701 -9.022 -5.269 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.348 -9.333 -3.860 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.671 -9.832 -4.151 1.00 0.00 C ATOM 100 CZ TYR A 9 5.493 -9.985 -3.450 1.00 0.00 C ATOM 101 OH TYR A 9 5.460 -10.790 -2.335 1.00 0.00 O ATOM 0 H TYR A 9 5.331 -5.466 -8.602 1.00 0.00 H new ATOM 0 HA TYR A 9 5.188 -5.779 -5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.695 -7.639 -7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.443 -7.762 -7.553 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.489 -8.017 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.626 -8.905 -5.815 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.427 -9.453 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.566 -10.343 -3.827 1.00 0.00 H new ATOM 0 HH TYR A 9 4.724 -10.510 -1.751 1.00 0.00 H new ATOM 111 N HIS A 10 7.522 -5.130 -5.236 1.00 0.00 N ATOM 112 CA HIS A 10 8.892 -4.727 -4.939 1.00 0.00 C ATOM 113 C HIS A 10 9.646 -5.846 -4.228 1.00 0.00 C ATOM 114 O HIS A 10 10.627 -6.376 -4.747 1.00 0.00 O ATOM 115 CB HIS A 10 8.900 -3.464 -4.077 1.00 0.00 C ATOM 116 CG HIS A 10 8.487 -2.230 -4.821 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.378 -1.248 -5.199 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.272 -1.823 -5.256 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.727 -0.289 -5.834 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.448 -0.614 -5.883 1.00 0.00 N ATOM 0 H HIS A 10 6.873 -5.024 -4.456 1.00 0.00 H new ATOM 0 HA HIS A 10 9.394 -4.517 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.231 -3.608 -3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.901 -3.316 -3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.338 -2.351 -5.133 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.167 0.608 -6.243 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.711 -0.058 -6.316 1.00 0.00 H new ATOM 129 N GLY A 11 9.180 -6.201 -3.033 1.00 0.00 N ATOM 130 CA GLY A 11 9.822 -7.254 -2.269 1.00 0.00 C ATOM 131 C GLY A 11 10.389 -6.755 -0.955 1.00 0.00 C ATOM 132 O GLY A 11 9.667 -6.189 -0.135 1.00 0.00 O ATOM 0 H GLY A 11 8.369 -5.777 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.100 -8.047 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.623 -7.693 -2.863 1.00 0.00 H new ATOM 136 N HIS A 12 11.687 -6.964 -0.755 1.00 0.00 N ATOM 137 CA HIS A 12 12.351 -6.532 0.470 1.00 0.00 C ATOM 138 C HIS A 12 12.264 -5.017 0.629 1.00 0.00 C ATOM 139 O HIS A 12 12.818 -4.266 -0.173 1.00 0.00 O ATOM 140 CB HIS A 12 13.815 -6.972 0.463 1.00 0.00 C ATOM 141 CG HIS A 12 14.000 -8.441 0.689 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.172 -8.996 1.939 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.037 -9.472 -0.187 1.00 0.00 C ATOM 144 CE1 HIS A 12 14.308 -10.304 1.824 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.231 -10.620 0.543 1.00 0.00 N ATOM 0 H HIS A 12 12.299 -7.429 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 12 11.843 -6.998 1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.263 -6.701 -0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.354 -6.423 1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.933 -9.405 -1.260 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.457 -10.998 2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.304 -11.562 0.159 1.00 0.00 H new ATOM 154 N MET A 13 11.563 -4.576 1.669 1.00 0.00 N ATOM 155 CA MET A 13 11.403 -3.150 1.933 1.00 0.00 C ATOM 156 C MET A 13 11.017 -2.907 3.388 1.00 0.00 C ATOM 157 O MET A 13 10.401 -3.760 4.027 1.00 0.00 O ATOM 158 CB MET A 13 10.344 -2.553 1.004 1.00 0.00 C ATOM 159 CG MET A 13 10.407 -1.037 0.907 1.00 0.00 C ATOM 160 SD MET A 13 11.536 -0.470 -0.379 1.00 0.00 S ATOM 161 CE MET A 13 10.491 -0.595 -1.827 1.00 0.00 C ATOM 0 H MET A 13 11.097 -5.185 2.342 1.00 0.00 H new ATOM 0 HA MET A 13 12.358 -2.661 1.743 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.465 -2.978 0.008 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.355 -2.846 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.409 -0.648 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.721 -0.628 1.867 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.050 -0.277 -2.707 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.169 -1.628 -1.955 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.617 0.045 -1.702 1.00 0.00 H new ATOM 171 N SER A 14 11.381 -1.738 3.906 1.00 0.00 N ATOM 172 CA SER A 14 11.075 -1.385 5.287 1.00 0.00 C ATOM 173 C SER A 14 9.973 -0.332 5.346 1.00 0.00 C ATOM 174 O SER A 14 9.881 0.537 4.480 1.00 0.00 O ATOM 175 CB SER A 14 12.330 -0.867 5.993 1.00 0.00 C ATOM 176 OG SER A 14 13.370 -1.829 5.955 1.00 0.00 O ATOM 0 H SER A 14 11.888 -1.019 3.390 1.00 0.00 H new ATOM 0 HA SER A 14 10.724 -2.282 5.797 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.665 0.054 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.094 -0.623 7.029 1.00 0.00 H new ATOM 0 HG SER A 14 14.161 -1.474 6.411 1.00 0.00 H new ATOM 182 N GLY A 15 9.137 -0.417 6.377 1.00 0.00 N ATOM 183 CA GLY A 15 8.051 0.534 6.532 1.00 0.00 C ATOM 184 C GLY A 15 8.479 1.957 6.232 1.00 0.00 C ATOM 185 O GLY A 15 8.116 2.516 5.197 1.00 0.00 O ATOM 0 H GLY A 15 9.192 -1.127 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.232 0.257 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.668 0.480 7.551 1.00 0.00 H new ATOM 189 N GLY A 16 9.252 2.546 7.139 1.00 0.00 N ATOM 190 CA GLY A 16 9.715 3.908 6.948 1.00 0.00 C ATOM 191 C GLY A 16 10.210 4.159 5.537 1.00 0.00 C ATOM 192 O GLY A 16 10.183 5.292 5.057 1.00 0.00 O ATOM 0 H GLY A 16 9.566 2.104 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.903 4.600 7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.518 4.118 7.654 1.00 0.00 H new ATOM 196 N GLN A 17 10.663 3.100 4.873 1.00 0.00 N ATOM 197 CA GLN A 17 11.169 3.214 3.510 1.00 0.00 C ATOM 198 C GLN A 17 10.051 3.592 2.544 1.00 0.00 C ATOM 199 O GLN A 17 10.069 4.669 1.950 1.00 0.00 O ATOM 200 CB GLN A 17 11.812 1.897 3.072 1.00 0.00 C ATOM 201 CG GLN A 17 12.942 2.077 2.069 1.00 0.00 C ATOM 202 CD GLN A 17 14.072 2.931 2.610 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.981 2.431 3.271 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.019 4.228 2.329 1.00 0.00 N ATOM 0 H GLN A 17 10.690 2.155 5.256 1.00 0.00 H new ATOM 0 HA GLN A 17 11.921 4.002 3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.196 1.379 3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.047 1.256 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.333 1.099 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.548 2.535 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.246 4.599 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.752 4.853 2.665 1.00 0.00 H new ATOM 213 N ALA A 18 9.078 2.699 2.394 1.00 0.00 N ATOM 214 CA ALA A 18 7.951 2.941 1.502 1.00 0.00 C ATOM 215 C ALA A 18 7.524 4.404 1.540 1.00 0.00 C ATOM 216 O ALA A 18 7.374 5.043 0.499 1.00 0.00 O ATOM 217 CB ALA A 18 6.782 2.039 1.871 1.00 0.00 C ATOM 0 H ALA A 18 9.048 1.802 2.879 1.00 0.00 H new ATOM 0 HA ALA A 18 8.269 2.709 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.947 2.231 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.086 0.996 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.474 2.244 2.896 1.00 0.00 H new ATOM 223 N GLU A 19 7.330 4.928 2.746 1.00 0.00 N ATOM 224 CA GLU A 19 6.919 6.317 2.917 1.00 0.00 C ATOM 225 C GLU A 19 7.768 7.246 2.055 1.00 0.00 C ATOM 226 O GLU A 19 7.244 8.092 1.329 1.00 0.00 O ATOM 227 CB GLU A 19 7.028 6.727 4.388 1.00 0.00 C ATOM 228 CG GLU A 19 5.758 6.480 5.184 1.00 0.00 C ATOM 229 CD GLU A 19 5.735 7.240 6.496 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.796 7.324 7.150 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.658 7.749 6.869 1.00 0.00 O ATOM 0 H GLU A 19 7.451 4.413 3.618 1.00 0.00 H new ATOM 0 HA GLU A 19 5.880 6.403 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.849 6.178 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.282 7.786 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.895 6.771 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.661 5.413 5.385 1.00 0.00 H new ATOM 238 N THR A 20 9.085 7.084 2.140 1.00 0.00 N ATOM 239 CA THR A 20 10.008 7.908 1.369 1.00 0.00 C ATOM 240 C THR A 20 9.779 7.738 -0.127 1.00 0.00 C ATOM 241 O THR A 20 9.425 8.689 -0.825 1.00 0.00 O ATOM 242 CB THR A 20 11.474 7.565 1.695 1.00 0.00 C ATOM 243 OG1 THR A 20 11.699 7.670 3.105 1.00 0.00 O ATOM 244 CG2 THR A 20 12.424 8.492 0.955 1.00 0.00 C ATOM 0 H THR A 20 9.536 6.389 2.735 1.00 0.00 H new ATOM 0 HA THR A 20 9.814 8.944 1.647 1.00 0.00 H new ATOM 0 HB THR A 20 11.665 6.542 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.633 7.449 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.453 8.230 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.270 8.389 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.231 9.523 1.251 1.00 0.00 H new ATOM 252 N LEU A 21 9.981 6.519 -0.618 1.00 0.00 N ATOM 253 CA LEU A 21 9.796 6.223 -2.034 1.00 0.00 C ATOM 254 C LEU A 21 8.487 6.814 -2.547 1.00 0.00 C ATOM 255 O LEU A 21 8.468 7.536 -3.545 1.00 0.00 O ATOM 256 CB LEU A 21 9.813 4.711 -2.266 1.00 0.00 C ATOM 257 CG LEU A 21 11.067 3.973 -1.797 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.917 3.529 -0.351 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.351 2.780 -2.697 1.00 0.00 C ATOM 0 H LEU A 21 10.273 5.720 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 21 10.619 6.678 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.950 4.277 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.685 4.526 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 21 11.912 4.658 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.820 3.006 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.763 4.402 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.060 2.861 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.247 2.266 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.505 2.093 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.505 3.124 -3.720 1.00 0.00 H new ATOM 271 N LEU A 22 7.394 6.505 -1.857 1.00 0.00 N ATOM 272 CA LEU A 22 6.080 7.008 -2.241 1.00 0.00 C ATOM 273 C LEU A 22 6.055 8.533 -2.232 1.00 0.00 C ATOM 274 O LEU A 22 5.942 9.167 -3.281 1.00 0.00 O ATOM 275 CB LEU A 22 5.007 6.463 -1.295 1.00 0.00 C ATOM 276 CG LEU A 22 4.461 5.075 -1.629 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.624 4.540 -0.477 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.642 5.117 -2.911 1.00 0.00 C ATOM 0 H LEU A 22 7.392 5.909 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 22 5.870 6.666 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.420 6.436 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.174 7.165 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 22 5.304 4.402 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.243 3.551 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.240 4.471 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.788 5.214 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.262 4.120 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.806 5.805 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.271 5.456 -3.734 1.00 0.00 H new ATOM 290 N GLN A 23 6.165 9.113 -1.042 1.00 0.00 N ATOM 291 CA GLN A 23 6.157 10.564 -0.897 1.00 0.00 C ATOM 292 C GLN A 23 6.993 11.226 -1.988 1.00 0.00 C ATOM 293 O GLN A 23 6.587 12.230 -2.571 1.00 0.00 O ATOM 294 CB GLN A 23 6.688 10.964 0.481 1.00 0.00 C ATOM 295 CG GLN A 23 5.679 10.772 1.601 1.00 0.00 C ATOM 296 CD GLN A 23 6.148 11.360 2.917 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.314 11.729 3.065 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.241 11.452 3.882 1.00 0.00 N ATOM 0 H GLN A 23 6.261 8.601 -0.165 1.00 0.00 H new ATOM 0 HA GLN A 23 5.127 10.907 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.580 10.377 0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.994 12.010 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.734 11.235 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.485 9.707 1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.286 11.134 3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.499 11.841 4.789 1.00 0.00 H new ATOM 307 N ALA A 24 8.161 10.654 -2.259 1.00 0.00 N ATOM 308 CA ALA A 24 9.054 11.186 -3.281 1.00 0.00 C ATOM 309 C ALA A 24 8.341 11.304 -4.624 1.00 0.00 C ATOM 310 O ALA A 24 8.507 12.290 -5.343 1.00 0.00 O ATOM 311 CB ALA A 24 10.289 10.308 -3.413 1.00 0.00 C ATOM 0 H ALA A 24 8.511 9.822 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 24 9.364 12.185 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.946 10.718 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.817 10.278 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.989 9.298 -3.694 1.00 0.00 H new ATOM 317 N LYS A 25 7.547 10.292 -4.959 1.00 0.00 N ATOM 318 CA LYS A 25 6.807 10.282 -6.215 1.00 0.00 C ATOM 319 C LYS A 25 5.877 11.487 -6.309 1.00 0.00 C ATOM 320 O LYS A 25 5.693 12.059 -7.382 1.00 0.00 O ATOM 321 CB LYS A 25 6.000 8.989 -6.344 1.00 0.00 C ATOM 322 CG LYS A 25 5.103 8.952 -7.570 1.00 0.00 C ATOM 323 CD LYS A 25 5.862 8.499 -8.805 1.00 0.00 C ATOM 324 CE LYS A 25 6.475 9.676 -9.546 1.00 0.00 C ATOM 325 NZ LYS A 25 7.732 9.297 -10.249 1.00 0.00 N ATOM 0 H LYS A 25 7.400 9.467 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 25 7.526 10.337 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.687 8.144 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.387 8.862 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.266 8.278 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.682 9.942 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.648 7.802 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.187 7.960 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.757 10.063 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.682 10.481 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.118 10.127 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.427 8.952 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.530 8.547 -10.941 1.00 0.00 H new ATOM 339 N GLY A 26 5.292 11.866 -5.177 1.00 0.00 N ATOM 340 CA GLY A 26 4.388 13.002 -5.153 1.00 0.00 C ATOM 341 C GLY A 26 3.146 12.771 -5.991 1.00 0.00 C ATOM 342 O GLY A 26 2.542 13.720 -6.488 1.00 0.00 O ATOM 0 H GLY A 26 5.428 11.407 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.095 13.208 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.910 13.886 -5.519 1.00 0.00 H new ATOM 346 N GLU A 27 2.766 11.507 -6.147 1.00 0.00 N ATOM 347 CA GLU A 27 1.589 11.156 -6.933 1.00 0.00 C ATOM 348 C GLU A 27 0.508 10.541 -6.049 1.00 0.00 C ATOM 349 O GLU A 27 0.721 9.531 -5.377 1.00 0.00 O ATOM 350 CB GLU A 27 1.965 10.180 -8.050 1.00 0.00 C ATOM 351 CG GLU A 27 2.556 10.856 -9.275 1.00 0.00 C ATOM 352 CD GLU A 27 2.373 10.037 -10.538 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.544 8.801 -10.472 1.00 0.00 O ATOM 354 OE2 GLU A 27 2.062 10.631 -11.592 1.00 0.00 O ATOM 0 H GLU A 27 3.255 10.710 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 27 1.195 12.070 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.683 9.457 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.078 9.621 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.089 11.832 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.619 11.032 -9.111 1.00 0.00 H new ATOM 361 N PRO A 28 -0.680 11.163 -6.046 1.00 0.00 N ATOM 362 CA PRO A 28 -1.818 10.696 -5.249 1.00 0.00 C ATOM 363 C PRO A 28 -2.395 9.386 -5.775 1.00 0.00 C ATOM 364 O PRO A 28 -2.456 9.166 -6.985 1.00 0.00 O ATOM 365 CB PRO A 28 -2.839 11.827 -5.392 1.00 0.00 C ATOM 366 CG PRO A 28 -2.497 12.485 -6.683 1.00 0.00 C ATOM 367 CD PRO A 28 -1.003 12.372 -6.823 1.00 0.00 C ATOM 0 HA PRO A 28 -1.535 10.487 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.858 11.441 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.772 12.528 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.005 11.998 -7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.811 13.529 -6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.703 12.272 -7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.494 13.252 -6.428 1.00 0.00 H new ATOM 375 N TRP A 29 -2.816 8.521 -4.860 1.00 0.00 N ATOM 376 CA TRP A 29 -3.389 7.232 -5.233 1.00 0.00 C ATOM 377 C TRP A 29 -2.315 6.295 -5.773 1.00 0.00 C ATOM 378 O TRP A 29 -2.601 5.396 -6.565 1.00 0.00 O ATOM 379 CB TRP A 29 -4.489 7.424 -6.280 1.00 0.00 C ATOM 380 CG TRP A 29 -5.359 8.615 -6.015 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.767 9.550 -6.923 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.928 8.998 -4.759 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.555 10.492 -6.306 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.669 10.175 -4.979 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.885 8.461 -3.469 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.360 10.822 -3.956 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.570 9.104 -2.456 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.300 10.274 -2.704 1.00 0.00 C ATOM 0 H TRP A 29 -2.772 8.688 -3.855 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.821 6.782 -4.339 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.031 7.529 -7.263 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.110 6.529 -6.312 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.508 9.549 -7.972 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.985 11.296 -6.763 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.326 7.559 -3.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.923 11.724 -4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.542 8.698 -1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.826 10.753 -1.891 1.00 0.00 H new ATOM 399 N THR A 30 -1.076 6.509 -5.339 1.00 0.00 N ATOM 400 CA THR A 30 0.041 5.683 -5.778 1.00 0.00 C ATOM 401 C THR A 30 0.239 4.487 -4.854 1.00 0.00 C ATOM 402 O THR A 30 0.878 4.598 -3.807 1.00 0.00 O ATOM 403 CB THR A 30 1.350 6.493 -5.838 1.00 0.00 C ATOM 404 OG1 THR A 30 1.215 7.572 -6.770 1.00 0.00 O ATOM 405 CG2 THR A 30 2.517 5.607 -6.246 1.00 0.00 C ATOM 0 H THR A 30 -0.822 7.248 -4.684 1.00 0.00 H new ATOM 0 HA THR A 30 -0.204 5.328 -6.779 1.00 0.00 H new ATOM 0 HB THR A 30 1.550 6.894 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.548 8.209 -6.438 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.430 6.201 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.635 4.803 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.323 5.181 -7.230 1.00 0.00 H new ATOM 413 N PHE A 31 -0.314 3.344 -5.245 1.00 0.00 N ATOM 414 CA PHE A 31 -0.197 2.127 -4.451 1.00 0.00 C ATOM 415 C PHE A 31 1.029 1.320 -4.868 1.00 0.00 C ATOM 416 O PHE A 31 1.616 1.561 -5.923 1.00 0.00 O ATOM 417 CB PHE A 31 -1.458 1.273 -4.599 1.00 0.00 C ATOM 418 CG PHE A 31 -1.519 0.513 -5.894 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.972 1.125 -7.051 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.123 -0.813 -5.953 1.00 0.00 C ATOM 421 CE1 PHE A 31 -2.029 0.430 -8.244 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.176 -1.514 -7.143 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.631 -0.892 -8.290 1.00 0.00 C ATOM 0 H PHE A 31 -0.848 3.235 -6.107 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.082 2.415 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.508 0.567 -3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.334 1.917 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.285 2.158 -7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.769 -1.305 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.384 0.920 -9.139 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.862 -2.547 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.675 -1.438 -9.221 1.00 0.00 H new ATOM 433 N LEU A 32 1.410 0.361 -4.031 1.00 0.00 N ATOM 434 CA LEU A 32 2.567 -0.482 -4.310 1.00 0.00 C ATOM 435 C LEU A 32 2.613 -1.677 -3.363 1.00 0.00 C ATOM 436 O LEU A 32 2.352 -1.544 -2.167 1.00 0.00 O ATOM 437 CB LEU A 32 3.858 0.330 -4.187 1.00 0.00 C ATOM 438 CG LEU A 32 4.311 0.657 -2.763 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.153 -0.477 -2.198 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.088 1.965 -2.738 1.00 0.00 C ATOM 0 H LEU A 32 0.935 0.148 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 32 2.475 -0.854 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.658 -0.219 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.728 1.266 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 32 3.426 0.772 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.467 -0.227 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.564 -1.394 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.033 -0.624 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.402 2.182 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.966 1.879 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.453 2.773 -3.101 1.00 0.00 H new ATOM 452 N VAL A 33 2.946 -2.844 -3.906 1.00 0.00 N ATOM 453 CA VAL A 33 3.029 -4.061 -3.108 1.00 0.00 C ATOM 454 C VAL A 33 4.469 -4.358 -2.706 1.00 0.00 C ATOM 455 O VAL A 33 5.403 -4.096 -3.465 1.00 0.00 O ATOM 456 CB VAL A 33 2.460 -5.272 -3.872 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.426 -6.501 -2.976 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.075 -4.957 -4.414 1.00 0.00 C ATOM 0 H VAL A 33 3.162 -2.972 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 33 2.433 -3.893 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 33 3.114 -5.487 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.021 -7.346 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.437 -6.737 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.796 -6.302 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.689 -5.823 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.407 -4.715 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.135 -4.107 -5.093 1.00 0.00 H new ATOM 468 N ARG A 34 4.642 -4.909 -1.509 1.00 0.00 N ATOM 469 CA ARG A 34 5.969 -5.241 -1.005 1.00 0.00 C ATOM 470 C ARG A 34 5.887 -6.311 0.079 1.00 0.00 C ATOM 471 O ARG A 34 5.312 -6.086 1.144 1.00 0.00 O ATOM 472 CB ARG A 34 6.657 -3.991 -0.453 1.00 0.00 C ATOM 473 CG ARG A 34 5.907 -3.344 0.700 1.00 0.00 C ATOM 474 CD ARG A 34 6.414 -1.936 0.974 1.00 0.00 C ATOM 475 NE ARG A 34 5.734 -1.321 2.109 1.00 0.00 N ATOM 476 CZ ARG A 34 6.090 -1.517 3.374 1.00 0.00 C ATOM 477 NH1 ARG A 34 7.115 -2.307 3.663 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.421 -0.922 4.354 1.00 0.00 N ATOM 0 H ARG A 34 3.880 -5.135 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 34 6.557 -5.633 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.661 -4.256 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.769 -3.263 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.842 -3.310 0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.020 -3.953 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.486 -1.968 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.269 -1.319 0.087 1.00 0.00 H new ATOM 0 HE ARG A 34 4.942 -0.707 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.632 -2.766 2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.386 -2.456 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.632 -0.313 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.696 -1.074 5.324 1.00 0.00 H new ATOM 492 N GLU A 35 6.466 -7.476 -0.199 1.00 0.00 N ATOM 493 CA GLU A 35 6.456 -8.580 0.752 1.00 0.00 C ATOM 494 C GLU A 35 6.600 -8.067 2.182 1.00 0.00 C ATOM 495 O GLU A 35 7.143 -6.987 2.415 1.00 0.00 O ATOM 496 CB GLU A 35 7.583 -9.565 0.437 1.00 0.00 C ATOM 497 CG GLU A 35 7.246 -11.006 0.779 1.00 0.00 C ATOM 498 CD GLU A 35 8.464 -11.806 1.200 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.174 -11.361 2.125 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.706 -12.876 0.604 1.00 0.00 O ATOM 0 H GLU A 35 6.947 -7.678 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 35 5.499 -9.094 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.825 -9.499 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.477 -9.269 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.510 -11.022 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.784 -11.482 -0.086 1.00 0.00 H new ATOM 507 N SER A 36 6.108 -8.850 3.138 1.00 0.00 N ATOM 508 CA SER A 36 6.177 -8.473 4.545 1.00 0.00 C ATOM 509 C SER A 36 7.626 -8.407 5.018 1.00 0.00 C ATOM 510 O SER A 36 8.557 -8.572 4.230 1.00 0.00 O ATOM 511 CB SER A 36 5.395 -9.471 5.400 1.00 0.00 C ATOM 512 OG SER A 36 5.640 -10.803 4.983 1.00 0.00 O ATOM 0 H SER A 36 5.658 -9.748 2.963 1.00 0.00 H new ATOM 0 HA SER A 36 5.731 -7.484 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.677 -9.357 6.447 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.329 -9.256 5.332 1.00 0.00 H new ATOM 0 HG SER A 36 4.837 -11.163 4.551 1.00 0.00 H new ATOM 586 N ASP A 42 2.666 -13.128 4.961 1.00 0.00 N ATOM 587 CA ASP A 42 1.857 -11.914 4.959 1.00 0.00 C ATOM 588 C ASP A 42 2.400 -10.900 3.956 1.00 0.00 C ATOM 589 O ASP A 42 3.492 -11.072 3.414 1.00 0.00 O ATOM 590 CB ASP A 42 1.822 -11.298 6.358 1.00 0.00 C ATOM 591 CG ASP A 42 0.685 -10.309 6.527 1.00 0.00 C ATOM 592 OD1 ASP A 42 0.844 -9.145 6.102 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.362 -10.698 7.084 1.00 0.00 O ATOM 0 HA ASP A 42 0.843 -12.183 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.723 -12.091 7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.769 -10.795 6.554 1.00 0.00 H new ATOM 598 N PHE A 43 1.632 -9.844 3.715 1.00 0.00 N ATOM 599 CA PHE A 43 2.034 -8.804 2.775 1.00 0.00 C ATOM 600 C PHE A 43 1.625 -7.425 3.284 1.00 0.00 C ATOM 601 O PHE A 43 0.934 -7.303 4.296 1.00 0.00 O ATOM 602 CB PHE A 43 1.412 -9.058 1.401 1.00 0.00 C ATOM 603 CG PHE A 43 1.754 -10.404 0.828 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.230 -11.561 1.382 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.600 -10.511 -0.264 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.544 -12.800 0.856 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.917 -11.748 -0.794 1.00 0.00 C ATOM 608 CZ PHE A 43 2.389 -12.894 -0.233 1.00 0.00 C ATOM 0 H PHE A 43 0.727 -9.685 4.158 1.00 0.00 H new ATOM 0 HA PHE A 43 3.120 -8.832 2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.328 -8.970 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.745 -8.283 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.569 -11.494 2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.017 -9.618 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.129 -13.695 1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.577 -11.818 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.636 -13.861 -0.645 1.00 0.00 H new ATOM 618 N VAL A 44 2.058 -6.386 2.575 1.00 0.00 N ATOM 619 CA VAL A 44 1.736 -5.015 2.952 1.00 0.00 C ATOM 620 C VAL A 44 1.339 -4.188 1.735 1.00 0.00 C ATOM 621 O VAL A 44 1.978 -4.263 0.684 1.00 0.00 O ATOM 622 CB VAL A 44 2.925 -4.334 3.656 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.583 -2.896 4.013 1.00 0.00 C ATOM 624 CG2 VAL A 44 3.330 -5.117 4.896 1.00 0.00 C ATOM 0 H VAL A 44 2.633 -6.469 1.736 1.00 0.00 H new ATOM 0 HA VAL A 44 0.894 -5.066 3.642 1.00 0.00 H new ATOM 0 HB VAL A 44 3.771 -4.321 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.435 -2.432 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.346 -2.342 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.722 -2.882 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.171 -4.621 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.489 -5.164 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.620 -6.128 4.609 1.00 0.00 H new ATOM 634 N LEU A 45 0.281 -3.400 1.882 1.00 0.00 N ATOM 635 CA LEU A 45 -0.202 -2.557 0.794 1.00 0.00 C ATOM 636 C LEU A 45 -0.130 -1.081 1.175 1.00 0.00 C ATOM 637 O LEU A 45 -0.949 -0.588 1.949 1.00 0.00 O ATOM 638 CB LEU A 45 -1.640 -2.932 0.434 1.00 0.00 C ATOM 639 CG LEU A 45 -2.376 -1.959 -0.490 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.852 -2.074 -1.913 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.875 -2.215 -0.449 1.00 0.00 C ATOM 0 H LEU A 45 -0.259 -3.327 2.744 1.00 0.00 H new ATOM 0 HA LEU A 45 0.439 -2.721 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.631 -3.914 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.211 -3.028 1.357 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.192 -0.944 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.387 -1.375 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.788 -1.840 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.005 -3.090 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.382 -1.514 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.079 -3.235 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.239 -2.080 0.569 1.00 0.00 H new ATOM 653 N SER A 46 0.856 -0.381 0.623 1.00 0.00 N ATOM 654 CA SER A 46 1.038 1.038 0.906 1.00 0.00 C ATOM 655 C SER A 46 0.461 1.894 -0.218 1.00 0.00 C ATOM 656 O SER A 46 0.580 1.555 -1.395 1.00 0.00 O ATOM 657 CB SER A 46 2.523 1.357 1.094 1.00 0.00 C ATOM 658 OG SER A 46 3.127 0.450 2.000 1.00 0.00 O ATOM 0 H SER A 46 1.541 -0.773 -0.023 1.00 0.00 H new ATOM 0 HA SER A 46 0.505 1.270 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.033 1.310 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.636 2.376 1.465 1.00 0.00 H new ATOM 0 HG SER A 46 3.863 0.897 2.468 1.00 0.00 H new ATOM 664 N VAL A 47 -0.165 3.005 0.156 1.00 0.00 N ATOM 665 CA VAL A 47 -0.760 3.912 -0.819 1.00 0.00 C ATOM 666 C VAL A 47 -0.589 5.366 -0.393 1.00 0.00 C ATOM 667 O VAL A 47 -0.807 5.714 0.768 1.00 0.00 O ATOM 668 CB VAL A 47 -2.260 3.618 -1.016 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.904 4.690 -1.883 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.456 2.238 -1.625 1.00 0.00 C ATOM 0 H VAL A 47 -0.273 3.299 1.127 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.239 3.750 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.747 3.632 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.963 4.466 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.794 5.662 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.417 4.711 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.521 2.047 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.956 2.193 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.031 1.484 -0.962 1.00 0.00 H new ATOM 680 N LEU A 48 -0.200 6.211 -1.341 1.00 0.00 N ATOM 681 CA LEU A 48 -0.001 7.631 -1.065 1.00 0.00 C ATOM 682 C LEU A 48 -1.294 8.412 -1.270 1.00 0.00 C ATOM 683 O LEU A 48 -1.639 8.776 -2.394 1.00 0.00 O ATOM 684 CB LEU A 48 1.099 8.196 -1.966 1.00 0.00 C ATOM 685 CG LEU A 48 1.697 9.535 -1.534 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.410 9.397 -0.199 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.650 10.060 -2.598 1.00 0.00 C ATOM 0 H LEU A 48 -0.016 5.939 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 48 0.302 7.735 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.904 7.464 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.695 8.309 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 48 0.885 10.252 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.829 10.361 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.701 9.066 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.213 8.665 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.067 11.014 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.458 9.344 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.109 10.199 -3.534 1.00 0.00 H new ATOM 699 N SER A 49 -2.004 8.669 -0.177 1.00 0.00 N ATOM 700 CA SER A 49 -3.261 9.406 -0.237 1.00 0.00 C ATOM 701 C SER A 49 -3.059 10.769 -0.893 1.00 0.00 C ATOM 702 O SER A 49 -1.946 11.295 -0.930 1.00 0.00 O ATOM 703 CB SER A 49 -3.840 9.585 1.167 1.00 0.00 C ATOM 704 OG SER A 49 -2.866 10.096 2.060 1.00 0.00 O ATOM 0 H SER A 49 -1.730 8.378 0.761 1.00 0.00 H new ATOM 0 HA SER A 49 -3.963 8.830 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.693 10.263 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.209 8.628 1.536 1.00 0.00 H new ATOM 0 HG SER A 49 -1.974 9.811 1.770 1.00 0.00 H new ATOM 710 N ASP A 50 -4.145 11.337 -1.408 1.00 0.00 N ATOM 711 CA ASP A 50 -4.089 12.639 -2.063 1.00 0.00 C ATOM 712 C ASP A 50 -4.163 13.766 -1.037 1.00 0.00 C ATOM 713 O ASP A 50 -4.170 14.943 -1.394 1.00 0.00 O ATOM 714 CB ASP A 50 -5.230 12.775 -3.072 1.00 0.00 C ATOM 715 CG ASP A 50 -5.454 14.212 -3.502 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.482 14.855 -3.950 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.602 14.693 -3.389 1.00 0.00 O ATOM 0 H ASP A 50 -5.074 10.916 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.138 12.713 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.010 12.166 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.148 12.383 -2.634 1.00 0.00 H new ATOM 722 N GLN A 51 -4.219 13.395 0.239 1.00 0.00 N ATOM 723 CA GLN A 51 -4.295 14.375 1.316 1.00 0.00 C ATOM 724 C GLN A 51 -2.906 14.692 1.861 1.00 0.00 C ATOM 725 O GLN A 51 -2.264 13.865 2.509 1.00 0.00 O ATOM 726 CB GLN A 51 -5.194 13.860 2.440 1.00 0.00 C ATOM 727 CG GLN A 51 -6.649 13.699 2.032 1.00 0.00 C ATOM 728 CD GLN A 51 -7.447 12.877 3.025 1.00 0.00 C ATOM 729 OE1 GLN A 51 -8.280 13.407 3.760 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.195 11.574 3.050 1.00 0.00 N ATOM 0 H GLN A 51 -4.213 12.424 0.551 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.724 15.292 0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.814 12.899 2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.136 14.548 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.105 14.684 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.697 13.224 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.496 11.178 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.701 10.969 3.697 1.00 0.00 H new ATOM 739 N PRO A 52 -2.431 15.917 1.596 1.00 0.00 N ATOM 740 CA PRO A 52 -1.113 16.372 2.052 1.00 0.00 C ATOM 741 C PRO A 52 -1.061 16.572 3.563 1.00 0.00 C ATOM 742 O PRO A 52 -2.081 16.827 4.202 1.00 0.00 O ATOM 743 CB PRO A 52 -0.929 17.708 1.329 1.00 0.00 C ATOM 744 CG PRO A 52 -2.314 18.188 1.061 1.00 0.00 C ATOM 745 CD PRO A 52 -3.143 16.955 0.830 1.00 0.00 C ATOM 0 HA PRO A 52 -0.332 15.643 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.376 18.418 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.367 17.583 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.697 18.764 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.338 18.843 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.165 17.086 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.203 16.703 -0.229 1.00 0.00 H new ATOM 753 N LYS A 53 0.136 16.453 4.129 1.00 0.00 N ATOM 754 CA LYS A 53 0.324 16.623 5.565 1.00 0.00 C ATOM 755 C LYS A 53 -0.102 18.019 6.008 1.00 0.00 C ATOM 756 O LYS A 53 -0.935 18.171 6.901 1.00 0.00 O ATOM 757 CB LYS A 53 1.787 16.382 5.941 1.00 0.00 C ATOM 758 CG LYS A 53 2.193 14.919 5.896 1.00 0.00 C ATOM 759 CD LYS A 53 3.572 14.705 6.495 1.00 0.00 C ATOM 760 CE LYS A 53 3.496 14.441 7.991 1.00 0.00 C ATOM 761 NZ LYS A 53 4.832 14.535 8.641 1.00 0.00 N ATOM 0 H LYS A 53 0.990 16.239 3.615 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.301 15.892 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.426 16.949 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.964 16.769 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.462 14.321 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.186 14.570 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.058 13.864 6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.190 15.584 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.817 15.158 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.077 13.449 8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.736 14.349 9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.473 13.833 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.221 15.489 8.499 1.00 0.00 H new ATOM 775 N ALA A 54 0.474 19.037 5.377 1.00 0.00 N ATOM 776 CA ALA A 54 0.151 20.421 5.704 1.00 0.00 C ATOM 777 C ALA A 54 -0.494 21.129 4.518 1.00 0.00 C ATOM 778 O ALA A 54 -1.629 21.596 4.604 1.00 0.00 O ATOM 779 CB ALA A 54 1.402 21.163 6.149 1.00 0.00 C ATOM 0 H ALA A 54 1.167 18.930 4.636 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.567 20.417 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.147 22.195 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.819 20.677 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.138 21.150 5.345 1.00 0.00 H new ATOM 785 N GLY A 55 0.238 21.206 3.411 1.00 0.00 N ATOM 786 CA GLY A 55 -0.279 21.861 2.224 1.00 0.00 C ATOM 787 C GLY A 55 0.245 21.239 0.944 1.00 0.00 C ATOM 788 O GLY A 55 0.611 20.064 0.904 1.00 0.00 O ATOM 0 H GLY A 55 1.180 20.826 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.368 21.810 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.009 22.917 2.248 1.00 0.00 H new ATOM 792 N PRO A 56 0.283 22.037 -0.134 1.00 0.00 N ATOM 793 CA PRO A 56 0.763 21.578 -1.441 1.00 0.00 C ATOM 794 C PRO A 56 2.268 21.328 -1.450 1.00 0.00 C ATOM 795 O PRO A 56 2.784 20.625 -2.319 1.00 0.00 O ATOM 796 CB PRO A 56 0.409 22.738 -2.375 1.00 0.00 C ATOM 797 CG PRO A 56 0.360 23.936 -1.491 1.00 0.00 C ATOM 798 CD PRO A 56 -0.138 23.448 -0.159 1.00 0.00 C ATOM 0 HA PRO A 56 0.315 20.627 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.156 22.856 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.548 22.571 -2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.346 24.391 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.304 24.697 -1.901 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.299 24.012 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.220 23.546 -0.074 1.00 0.00 H new ATOM 806 N GLY A 57 2.967 21.908 -0.479 1.00 0.00 N ATOM 807 CA GLY A 57 4.404 21.734 -0.395 1.00 0.00 C ATOM 808 C GLY A 57 4.796 20.552 0.469 1.00 0.00 C ATOM 809 O GLY A 57 5.928 20.072 0.401 1.00 0.00 O ATOM 0 H GLY A 57 2.563 22.495 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.809 21.597 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.854 22.641 0.010 1.00 0.00 H new ATOM 813 N SER A 58 3.859 20.082 1.286 1.00 0.00 N ATOM 814 CA SER A 58 4.115 18.952 2.172 1.00 0.00 C ATOM 815 C SER A 58 3.900 17.630 1.440 1.00 0.00 C ATOM 816 O SER A 58 3.123 17.536 0.491 1.00 0.00 O ATOM 817 CB SER A 58 3.203 19.023 3.399 1.00 0.00 C ATOM 818 OG SER A 58 1.839 18.973 3.024 1.00 0.00 O ATOM 0 H SER A 58 2.916 20.466 1.353 1.00 0.00 H new ATOM 0 HA SER A 58 5.154 19.003 2.497 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.429 18.196 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.399 19.944 3.949 1.00 0.00 H new ATOM 0 HG SER A 58 1.733 19.350 2.126 1.00 0.00 H new ATOM 824 N PRO A 59 4.606 16.583 1.894 1.00 0.00 N ATOM 825 CA PRO A 59 4.512 15.247 1.299 1.00 0.00 C ATOM 826 C PRO A 59 3.166 14.584 1.575 1.00 0.00 C ATOM 827 O PRO A 59 2.606 14.722 2.663 1.00 0.00 O ATOM 828 CB PRO A 59 5.640 14.473 1.984 1.00 0.00 C ATOM 829 CG PRO A 59 5.845 15.172 3.282 1.00 0.00 C ATOM 830 CD PRO A 59 5.552 16.623 3.022 1.00 0.00 C ATOM 0 HA PRO A 59 4.597 15.277 0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.368 13.428 2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.549 14.482 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.183 14.772 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.866 15.038 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.116 17.108 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.456 17.176 2.769 1.00 0.00 H new ATOM 838 N LEU A 60 2.652 13.864 0.583 1.00 0.00 N ATOM 839 CA LEU A 60 1.371 13.179 0.720 1.00 0.00 C ATOM 840 C LEU A 60 1.450 12.086 1.781 1.00 0.00 C ATOM 841 O LEU A 60 2.461 11.395 1.902 1.00 0.00 O ATOM 842 CB LEU A 60 0.948 12.575 -0.621 1.00 0.00 C ATOM 843 CG LEU A 60 0.492 13.568 -1.690 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.198 12.848 -2.996 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.733 14.336 -1.215 1.00 0.00 C ATOM 0 H LEU A 60 3.102 13.740 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 60 0.626 13.911 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.786 12.002 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.137 11.869 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 60 1.298 14.280 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.125 13.571 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.099 12.343 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.591 12.113 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.044 15.039 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.544 13.637 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.489 14.883 -0.304 1.00 0.00 H new ATOM 857 N ARG A 61 0.373 11.933 2.546 1.00 0.00 N ATOM 858 CA ARG A 61 0.319 10.924 3.596 1.00 0.00 C ATOM 859 C ARG A 61 0.348 9.518 3.002 1.00 0.00 C ATOM 860 O ARG A 61 -0.119 9.296 1.884 1.00 0.00 O ATOM 861 CB ARG A 61 -0.940 11.105 4.444 1.00 0.00 C ATOM 862 CG ARG A 61 -0.777 10.650 5.885 1.00 0.00 C ATOM 863 CD ARG A 61 -0.287 11.782 6.775 1.00 0.00 C ATOM 864 NE ARG A 61 -0.375 11.441 8.192 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.124 12.302 9.172 1.00 0.00 C ATOM 866 NH1 ARG A 61 0.227 13.548 8.889 1.00 0.00 N ATOM 867 NH2 ARG A 61 -0.225 11.917 10.437 1.00 0.00 N ATOM 0 H ARG A 61 -0.473 12.495 2.458 1.00 0.00 H new ATOM 0 HA ARG A 61 1.196 11.050 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.226 12.157 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.758 10.549 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.730 10.277 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.071 9.820 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.746 12.020 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.877 12.678 6.580 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.644 10.490 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.305 13.848 7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.419 14.207 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.496 10.959 10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.032 12.579 11.189 1.00 0.00 H new ATOM 881 N VAL A 62 0.898 8.573 3.756 1.00 0.00 N ATOM 882 CA VAL A 62 0.986 7.189 3.305 1.00 0.00 C ATOM 883 C VAL A 62 0.144 6.270 4.182 1.00 0.00 C ATOM 884 O VAL A 62 0.272 6.273 5.407 1.00 0.00 O ATOM 885 CB VAL A 62 2.444 6.690 3.308 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.545 5.336 2.622 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.356 7.706 2.637 1.00 0.00 C ATOM 0 H VAL A 62 1.290 8.740 4.683 1.00 0.00 H new ATOM 0 HA VAL A 62 0.603 7.163 2.285 1.00 0.00 H new ATOM 0 HB VAL A 62 2.768 6.572 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.581 4.999 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.923 4.613 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.203 5.424 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.382 7.337 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.036 7.857 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.305 8.652 3.175 1.00 0.00 H new ATOM 897 N THR A 63 -0.719 5.482 3.547 1.00 0.00 N ATOM 898 CA THR A 63 -1.583 4.557 4.269 1.00 0.00 C ATOM 899 C THR A 63 -1.037 3.135 4.213 1.00 0.00 C ATOM 900 O THR A 63 -1.044 2.498 3.159 1.00 0.00 O ATOM 901 CB THR A 63 -3.015 4.567 3.700 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.571 5.883 3.797 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.900 3.581 4.447 1.00 0.00 C ATOM 0 H THR A 63 -0.838 5.466 2.534 1.00 0.00 H new ATOM 0 HA THR A 63 -1.608 4.892 5.306 1.00 0.00 H new ATOM 0 HB THR A 63 -2.969 4.269 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.480 5.882 3.432 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.906 3.605 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.490 2.576 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.939 3.854 5.502 1.00 0.00 H new ATOM 911 N HIS A 64 -0.562 2.644 5.353 1.00 0.00 N ATOM 912 CA HIS A 64 -0.012 1.295 5.432 1.00 0.00 C ATOM 913 C HIS A 64 -1.078 0.300 5.881 1.00 0.00 C ATOM 914 O HIS A 64 -1.682 0.459 6.941 1.00 0.00 O ATOM 915 CB HIS A 64 1.172 1.261 6.399 1.00 0.00 C ATOM 916 CG HIS A 64 2.185 2.333 6.142 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.937 2.398 4.988 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.569 3.389 6.899 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.739 3.446 5.045 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.535 4.064 6.194 1.00 0.00 N ATOM 0 H HIS A 64 -0.547 3.159 6.233 1.00 0.00 H new ATOM 0 HA HIS A 64 0.331 1.010 4.438 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.801 1.360 7.419 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.659 0.288 6.330 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.882 1.739 4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.187 3.651 7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.442 3.746 4.282 1.00 0.00 H new ATOM 929 N ILE A 65 -1.303 -0.725 5.066 1.00 0.00 N ATOM 930 CA ILE A 65 -2.295 -1.746 5.379 1.00 0.00 C ATOM 931 C ILE A 65 -1.721 -3.147 5.194 1.00 0.00 C ATOM 932 O ILE A 65 -1.418 -3.563 4.075 1.00 0.00 O ATOM 933 CB ILE A 65 -3.552 -1.598 4.501 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.023 -0.143 4.488 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.658 -2.515 5.001 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.716 0.256 3.204 1.00 0.00 C ATOM 0 H ILE A 65 -0.812 -0.870 4.184 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.573 -1.605 6.424 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.301 -1.887 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.704 0.018 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.165 0.510 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.540 -2.399 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.318 -3.550 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.910 -2.254 6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.023 1.300 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.031 0.128 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.594 -0.372 3.054 1.00 0.00 H new ATOM 948 N LYS A 66 -1.574 -3.872 6.298 1.00 0.00 N ATOM 949 CA LYS A 66 -1.040 -5.228 6.258 1.00 0.00 C ATOM 950 C LYS A 66 -2.045 -6.191 5.635 1.00 0.00 C ATOM 951 O LYS A 66 -3.107 -6.449 6.203 1.00 0.00 O ATOM 952 CB LYS A 66 -0.675 -5.695 7.669 1.00 0.00 C ATOM 953 CG LYS A 66 0.745 -5.342 8.078 1.00 0.00 C ATOM 954 CD LYS A 66 0.905 -5.346 9.589 1.00 0.00 C ATOM 955 CE LYS A 66 1.195 -6.744 10.115 1.00 0.00 C ATOM 956 NZ LYS A 66 0.693 -6.928 11.506 1.00 0.00 N ATOM 0 H LYS A 66 -1.818 -3.543 7.232 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.142 -5.221 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.370 -5.251 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.804 -6.776 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.440 -6.055 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.004 -4.359 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.715 -4.674 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.004 -4.963 10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.731 -7.482 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.269 -6.926 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.910 -7.893 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.155 -6.241 12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.336 -6.779 11.526 1.00 0.00 H new ATOM 970 N VAL A 67 -1.703 -6.723 4.466 1.00 0.00 N ATOM 971 CA VAL A 67 -2.574 -7.660 3.768 1.00 0.00 C ATOM 972 C VAL A 67 -2.416 -9.073 4.319 1.00 0.00 C ATOM 973 O VAL A 67 -1.346 -9.673 4.216 1.00 0.00 O ATOM 974 CB VAL A 67 -2.284 -7.675 2.255 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.162 -8.701 1.554 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.489 -6.291 1.660 1.00 0.00 C ATOM 0 H VAL A 67 -0.828 -6.521 3.982 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.597 -7.322 3.931 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.243 -7.959 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.944 -8.698 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.961 -9.691 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.211 -8.450 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.280 -6.320 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.520 -5.975 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.814 -5.584 2.143 1.00 0.00 H new ATOM 986 N MET A 68 -3.488 -9.598 4.904 1.00 0.00 N ATOM 987 CA MET A 68 -3.468 -10.941 5.470 1.00 0.00 C ATOM 988 C MET A 68 -3.575 -11.995 4.372 1.00 0.00 C ATOM 989 O MET A 68 -3.762 -11.667 3.201 1.00 0.00 O ATOM 990 CB MET A 68 -4.612 -11.113 6.471 1.00 0.00 C ATOM 991 CG MET A 68 -4.282 -10.601 7.865 1.00 0.00 C ATOM 992 SD MET A 68 -5.702 -10.640 8.973 1.00 0.00 S ATOM 993 CE MET A 68 -6.640 -9.238 8.372 1.00 0.00 C ATOM 0 H MET A 68 -4.381 -9.114 4.998 1.00 0.00 H new ATOM 0 HA MET A 68 -2.518 -11.076 5.988 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.492 -10.588 6.099 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.874 -12.169 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.479 -11.204 8.289 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.910 -9.579 7.794 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.682 -9.528 8.236 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.581 -8.424 9.095 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.229 -8.907 7.419 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.454 -13.260 4.760 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.536 -14.362 3.808 1.00 0.00 C ATOM 1005 C CYS A 69 -4.281 -15.548 4.412 1.00 0.00 C ATOM 1006 O CYS A 69 -3.819 -16.158 5.375 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.135 -14.794 3.373 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.106 -16.282 2.346 1.00 0.00 S ATOM 0 H CYS A 69 -3.299 -13.548 5.726 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.089 -14.014 2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.669 -13.977 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.528 -14.967 4.261 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.155 -16.300 1.578 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.438 -15.867 3.839 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.248 -16.978 4.324 1.00 0.00 C ATOM 1016 C GLU A 70 -5.885 -18.272 3.601 1.00 0.00 C ATOM 1017 O GLU A 70 -6.552 -18.673 2.649 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.736 -16.675 4.133 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.633 -17.365 5.147 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.628 -18.874 4.999 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.618 -19.504 5.373 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.636 -19.425 4.510 1.00 0.00 O ATOM 0 H GLU A 70 -5.834 -15.372 3.040 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.044 -17.106 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.890 -15.598 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.034 -16.980 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.307 -17.101 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.653 -16.996 5.035 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.819 -18.921 4.062 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.385 -20.163 3.448 1.00 0.00 C ATOM 1031 C GLY A 71 -3.691 -19.940 2.118 1.00 0.00 C ATOM 1032 O GLY A 71 -2.471 -20.060 2.019 1.00 0.00 O ATOM 0 H GLY A 71 -4.249 -18.609 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.707 -20.682 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.248 -20.813 3.300 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.472 -19.616 1.093 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.908 -19.384 -0.224 1.00 0.00 C ATOM 1038 C GLY A 72 -4.357 -18.065 -0.822 1.00 0.00 C ATOM 1039 O GLY A 72 -3.778 -17.590 -1.800 1.00 0.00 O ATOM 0 H GLY A 72 -5.485 -19.510 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.820 -19.398 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.197 -20.198 -0.889 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.394 -17.473 -0.237 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.921 -16.203 -0.720 1.00 0.00 C ATOM 1045 C ARG A 73 -5.482 -15.053 0.182 1.00 0.00 C ATOM 1046 O ARG A 73 -4.755 -15.256 1.155 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.449 -16.255 -0.791 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.977 -17.197 -1.861 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.369 -17.702 -1.519 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.154 -17.996 -2.715 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.251 -18.746 -2.708 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.690 -19.275 -1.575 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.910 -18.968 -3.839 1.00 0.00 N ATOM 0 H ARG A 73 -5.885 -17.853 0.572 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.523 -16.030 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.839 -16.565 0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.830 -15.252 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.001 -16.682 -2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.298 -18.043 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.288 -18.601 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.888 -16.955 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.843 -17.604 -3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.186 -19.107 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.532 -19.850 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.574 -18.563 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.752 -19.544 -3.834 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.926 -13.846 -0.149 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.578 -12.663 0.629 1.00 0.00 C ATOM 1069 C TYR A 74 -6.830 -11.907 1.061 1.00 0.00 C ATOM 1070 O TYR A 74 -7.854 -11.934 0.378 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.666 -11.742 -0.185 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.334 -12.366 -0.535 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.578 -13.023 0.427 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.832 -12.296 -1.829 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.359 -13.592 0.111 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.615 -12.864 -2.154 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.883 -13.511 -1.181 1.00 0.00 C ATOM 1078 OH TYR A 74 0.331 -14.077 -1.500 1.00 0.00 O ATOM 0 H TYR A 74 -6.528 -13.661 -0.951 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.048 -12.990 1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.178 -11.458 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.492 -10.826 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.949 -13.090 1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.403 -11.789 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.782 -14.097 0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.239 -12.802 -3.165 1.00 0.00 H new ATOM 0 HH TYR A 74 0.906 -14.086 -0.707 1.00 0.00 H new ATOM 1088 N THR A 75 -6.740 -11.229 2.201 1.00 0.00 N ATOM 1089 CA THR A 75 -7.863 -10.464 2.727 1.00 0.00 C ATOM 1090 C THR A 75 -7.386 -9.355 3.657 1.00 0.00 C ATOM 1091 O THR A 75 -6.312 -9.449 4.253 1.00 0.00 O ATOM 1092 CB THR A 75 -8.851 -11.368 3.488 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.102 -10.692 3.657 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.292 -11.757 4.849 1.00 0.00 C ATOM 0 H THR A 75 -5.900 -11.194 2.778 1.00 0.00 H new ATOM 0 HA THR A 75 -8.372 -10.022 1.871 1.00 0.00 H new ATOM 0 HB THR A 75 -9.004 -12.275 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.456 -10.877 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.008 -12.395 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.354 -12.296 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.113 -10.858 5.439 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.191 -8.304 3.780 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.852 -7.177 4.641 1.00 0.00 C ATOM 1104 C VAL A 76 -8.947 -6.922 5.670 1.00 0.00 C ATOM 1105 O VAL A 76 -9.840 -6.104 5.453 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.624 -5.893 3.820 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.325 -5.984 3.034 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.802 -5.639 2.892 1.00 0.00 C ATOM 0 H VAL A 76 -9.083 -8.210 3.294 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.928 -7.439 5.157 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.545 -5.052 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.182 -5.068 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.491 -6.115 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.370 -6.834 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.625 -4.728 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.915 -6.481 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.712 -5.525 3.482 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.871 -7.629 6.794 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.862 -7.465 7.842 1.00 0.00 C ATOM 1120 C GLY A 77 -11.167 -8.165 7.520 1.00 0.00 C ATOM 1121 O GLY A 77 -11.692 -8.920 8.337 1.00 0.00 O ATOM 0 H GLY A 77 -8.141 -8.312 6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.464 -7.857 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.051 -6.403 7.996 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.694 -7.912 6.325 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.943 -8.530 5.919 1.00 0.00 C ATOM 1127 C GLY A 78 -12.807 -10.024 5.702 1.00 0.00 C ATOM 1128 O GLY A 78 -11.697 -10.540 5.564 1.00 0.00 O ATOM 0 H GLY A 78 -11.278 -7.290 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.701 -8.344 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.294 -8.063 4.999 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.937 -10.721 5.674 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.940 -12.165 5.474 1.00 0.00 C ATOM 1134 C LEU A 79 -13.680 -12.514 4.012 1.00 0.00 C ATOM 1135 O LEU A 79 -13.264 -13.627 3.693 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.276 -12.760 5.922 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.560 -12.716 7.424 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.023 -13.027 7.700 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.657 -13.691 8.165 1.00 0.00 C ATOM 0 H LEU A 79 -14.863 -10.309 5.787 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.139 -12.591 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.078 -12.232 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.316 -13.799 5.595 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.350 -11.709 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.206 -12.991 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.652 -12.291 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.261 -14.022 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.872 -13.647 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.836 -14.702 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.614 -13.423 7.994 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.929 -11.553 3.127 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.721 -11.758 1.698 1.00 0.00 C ATOM 1153 C GLU A 80 -12.312 -12.275 1.423 1.00 0.00 C ATOM 1154 O GLU A 80 -11.478 -12.352 2.326 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.956 -10.454 0.934 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.420 -10.055 0.846 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.858 -9.186 2.009 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.023 -8.409 2.516 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -17.035 -9.285 2.413 1.00 0.00 O ATOM 0 H GLU A 80 -14.275 -10.626 3.374 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.437 -12.505 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.398 -9.653 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.555 -10.556 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.591 -9.519 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.037 -10.953 0.816 1.00 0.00 H new ATOM 1166 N THR A 81 -12.053 -12.630 0.168 1.00 0.00 N ATOM 1167 CA THR A 81 -10.747 -13.143 -0.228 1.00 0.00 C ATOM 1168 C THR A 81 -10.469 -12.859 -1.699 1.00 0.00 C ATOM 1169 O THR A 81 -11.378 -12.528 -2.461 1.00 0.00 O ATOM 1170 CB THR A 81 -10.640 -14.659 0.021 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.542 -15.362 -0.840 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.950 -14.993 1.472 1.00 0.00 C ATOM 0 H THR A 81 -12.731 -12.572 -0.592 1.00 0.00 H new ATOM 0 HA THR A 81 -10.006 -12.629 0.384 1.00 0.00 H new ATOM 0 HB THR A 81 -9.618 -14.969 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.834 -16.189 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.868 -16.069 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.242 -14.480 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.963 -14.669 1.712 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.207 -12.993 -2.094 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.808 -12.751 -3.476 1.00 0.00 C ATOM 1182 C PHE A 82 -7.725 -13.734 -3.909 1.00 0.00 C ATOM 1183 O PHE A 82 -6.772 -13.989 -3.173 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.305 -11.315 -3.640 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.310 -10.277 -3.229 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.361 -9.822 -1.920 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.204 -9.756 -4.150 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.285 -8.868 -1.540 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.131 -8.800 -3.775 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.170 -8.356 -2.469 1.00 0.00 C ATOM 0 H PHE A 82 -8.443 -13.268 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.682 -12.897 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.399 -11.186 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.031 -11.151 -4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.671 -10.218 -1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.177 -10.100 -5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.315 -8.523 -0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.823 -8.402 -4.503 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.892 -7.609 -2.173 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.878 -14.282 -5.110 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.913 -15.237 -5.643 1.00 0.00 C ATOM 1202 C ASP A 83 -5.490 -14.845 -5.257 1.00 0.00 C ATOM 1203 O ASP A 83 -4.669 -15.700 -4.927 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.036 -15.322 -7.165 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.058 -16.352 -7.606 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -7.905 -17.535 -7.236 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -9.010 -15.975 -8.321 1.00 0.00 O ATOM 0 H ASP A 83 -8.661 -14.081 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.131 -16.215 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.315 -14.345 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.065 -15.572 -7.592 1.00 0.00 H new ATOM 1212 N SER A 84 -5.207 -13.547 -5.302 1.00 0.00 N ATOM 1213 CA SER A 84 -3.881 -13.042 -4.961 1.00 0.00 C ATOM 1214 C SER A 84 -3.863 -11.517 -4.967 1.00 0.00 C ATOM 1215 O SER A 84 -4.885 -10.873 -5.214 1.00 0.00 O ATOM 1216 CB SER A 84 -2.840 -13.580 -5.945 1.00 0.00 C ATOM 1217 OG SER A 84 -1.571 -13.703 -5.326 1.00 0.00 O ATOM 0 H SER A 84 -5.877 -12.826 -5.571 1.00 0.00 H new ATOM 0 HA SER A 84 -3.634 -13.387 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.160 -14.551 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.767 -12.912 -6.803 1.00 0.00 H new ATOM 0 HG SER A 84 -0.923 -14.050 -5.974 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.696 -10.945 -4.695 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.543 -9.495 -4.669 1.00 0.00 C ATOM 1225 C LEU A 85 -3.229 -8.852 -5.870 1.00 0.00 C ATOM 1226 O LEU A 85 -3.744 -7.737 -5.782 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.059 -9.119 -4.654 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.419 -8.972 -3.272 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.196 -7.976 -2.426 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.341 -10.322 -2.574 1.00 0.00 C ATOM 0 H LEU A 85 -1.842 -11.463 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.016 -9.122 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.507 -9.877 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.937 -8.178 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 85 0.595 -8.593 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.726 -7.885 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.199 -7.004 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.222 -8.324 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.117 -10.198 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.345 -10.730 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.261 -11.006 -3.172 1.00 0.00 H new ATOM 1242 N THR A 86 -3.234 -9.564 -6.993 1.00 0.00 N ATOM 1243 CA THR A 86 -3.858 -9.065 -8.211 1.00 0.00 C ATOM 1244 C THR A 86 -5.362 -8.901 -8.032 1.00 0.00 C ATOM 1245 O THR A 86 -5.899 -7.802 -8.175 1.00 0.00 O ATOM 1246 CB THR A 86 -3.594 -10.004 -9.403 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.185 -10.100 -9.648 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.298 -9.502 -10.655 1.00 0.00 C ATOM 0 H THR A 86 -2.812 -10.488 -7.083 1.00 0.00 H new ATOM 0 HA THR A 86 -3.412 -8.092 -8.418 1.00 0.00 H new ATOM 0 HB THR A 86 -3.988 -10.989 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.025 -10.700 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.097 -10.182 -11.483 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.372 -9.457 -10.475 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.930 -8.507 -10.905 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.039 -10.001 -7.718 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.483 -9.979 -7.516 1.00 0.00 C ATOM 1258 C ASP A 87 -7.862 -9.000 -6.410 1.00 0.00 C ATOM 1259 O ASP A 87 -8.883 -8.316 -6.494 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.993 -11.380 -7.173 1.00 0.00 C ATOM 1261 CG ASP A 87 -8.380 -12.173 -8.405 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -7.484 -12.485 -9.217 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.580 -12.483 -8.557 1.00 0.00 O ATOM 0 H ASP A 87 -5.610 -10.919 -7.598 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.950 -9.649 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.221 -11.920 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.856 -11.298 -6.512 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.036 -8.939 -5.372 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.285 -8.045 -4.247 1.00 0.00 C ATOM 1270 C LEU A 88 -7.098 -6.588 -4.658 1.00 0.00 C ATOM 1271 O LEU A 88 -8.045 -5.801 -4.643 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.350 -8.383 -3.084 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.592 -7.614 -1.784 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.188 -8.457 -0.583 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.828 -6.297 -1.793 1.00 0.00 C ATOM 0 H LEU A 88 -6.187 -9.498 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.318 -8.183 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.435 -9.449 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.324 -8.202 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.657 -7.394 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.367 -7.894 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.778 -9.374 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.130 -8.708 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.012 -5.763 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.761 -6.496 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.163 -5.688 -2.632 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.870 -6.235 -5.026 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.560 -4.873 -5.445 1.00 0.00 C ATOM 1289 C VAL A 89 -6.499 -4.411 -6.554 1.00 0.00 C ATOM 1290 O VAL A 89 -7.218 -3.425 -6.400 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.105 -4.756 -5.936 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.806 -3.332 -6.383 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.138 -5.196 -4.848 1.00 0.00 C ATOM 0 H VAL A 89 -5.074 -6.873 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.694 -4.234 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.975 -5.416 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.774 -3.268 -6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.477 -3.058 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.953 -2.649 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.115 -5.107 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.267 -4.564 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.339 -6.234 -4.581 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.485 -5.132 -7.670 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.336 -4.796 -8.806 1.00 0.00 C ATOM 1305 C GLU A 90 -8.754 -4.466 -8.345 1.00 0.00 C ATOM 1306 O GLU A 90 -9.252 -3.363 -8.573 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.370 -5.952 -9.808 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.078 -6.116 -10.590 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.271 -6.898 -11.876 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.803 -8.026 -11.810 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.888 -6.381 -12.947 1.00 0.00 O ATOM 0 H GLU A 90 -5.895 -5.952 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.916 -3.916 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.582 -6.878 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.191 -5.792 -10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.672 -5.132 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.342 -6.624 -9.967 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.397 -5.431 -7.696 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.757 -5.244 -7.203 1.00 0.00 C ATOM 1320 C HIS A 91 -10.845 -4.016 -6.301 1.00 0.00 C ATOM 1321 O HIS A 91 -11.924 -3.460 -6.094 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.221 -6.485 -6.440 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.537 -6.305 -5.747 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.856 -5.642 -4.611 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.715 -6.846 -6.217 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.207 -5.791 -4.419 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.702 -6.522 -5.401 1.00 0.00 N flip ATOM 0 H HIS A 91 -8.999 -6.349 -7.499 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.410 -5.089 -8.062 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.297 -7.321 -7.135 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.465 -6.752 -5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.815 -7.442 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.773 -5.377 -3.598 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.680 -6.791 -5.511 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.702 -3.599 -5.766 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.650 -2.438 -4.885 1.00 0.00 C ATOM 1338 C PHE A 92 -9.322 -1.172 -5.672 1.00 0.00 C ATOM 1339 O PHE A 92 -9.514 -0.057 -5.185 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.608 -2.652 -3.786 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.170 -3.273 -2.539 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.337 -2.787 -1.974 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.531 -4.342 -1.932 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.857 -3.356 -0.827 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.045 -4.916 -0.785 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.211 -4.422 -0.231 1.00 0.00 C ATOM 0 H PHE A 92 -8.800 -4.047 -5.927 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.632 -2.316 -4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.811 -3.288 -4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.157 -1.693 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.847 -1.954 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.620 -4.732 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.768 -2.967 -0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.537 -5.749 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.616 -4.868 0.665 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.827 -1.352 -6.892 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.473 -0.227 -7.748 1.00 0.00 C ATOM 1358 C LYS A 93 -9.719 0.401 -8.364 1.00 0.00 C ATOM 1359 O LYS A 93 -9.677 1.523 -8.870 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.518 -0.681 -8.854 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.230 -1.295 -8.332 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.083 -1.102 -9.310 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.143 -2.114 -10.445 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.046 -1.908 -11.430 1.00 0.00 N ATOM 0 H LYS A 93 -8.662 -2.268 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.976 0.523 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.027 -1.408 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.274 0.174 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.973 -0.843 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.380 -2.359 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.118 -0.092 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.134 -1.200 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.079 -3.122 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.105 -2.035 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.122 -2.617 -12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.121 -0.955 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.127 -2.008 -10.953 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.828 -0.329 -8.318 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.088 0.157 -8.869 1.00 0.00 C ATOM 1380 C LYS A 94 -13.049 0.560 -7.755 1.00 0.00 C ATOM 1381 O LYS A 94 -13.808 1.520 -7.894 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.732 -0.918 -9.749 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.819 -2.279 -9.081 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.360 -3.333 -10.031 1.00 0.00 C ATOM 1385 CE LYS A 94 -12.248 -3.957 -10.862 1.00 0.00 C ATOM 1386 NZ LYS A 94 -12.766 -4.548 -12.127 1.00 0.00 N ATOM 0 H LYS A 94 -10.880 -1.260 -7.905 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.875 1.036 -9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.735 -0.595 -10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.159 -1.011 -10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.831 -2.577 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.462 -2.214 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.870 -4.110 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.101 -2.883 -10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.500 -3.199 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.748 -4.730 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.978 -4.963 -12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.461 -5.289 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.221 -3.806 -12.696 1.00 0.00 H new ATOM 1400 N THR A 95 -13.011 -0.178 -6.651 1.00 0.00 N ATOM 1401 CA THR A 95 -13.878 0.104 -5.514 1.00 0.00 C ATOM 1402 C THR A 95 -13.184 1.010 -4.504 1.00 0.00 C ATOM 1403 O THR A 95 -13.705 2.064 -4.140 1.00 0.00 O ATOM 1404 CB THR A 95 -14.315 -1.193 -4.806 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.174 -1.860 -4.257 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.034 -2.121 -5.774 1.00 0.00 C ATOM 0 H THR A 95 -12.389 -0.976 -6.520 1.00 0.00 H new ATOM 0 HA THR A 95 -14.759 0.611 -5.907 1.00 0.00 H new ATOM 0 HB THR A 95 -15.002 -0.929 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.678 -2.305 -4.976 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.333 -3.030 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.919 -1.621 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.366 -2.378 -6.596 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.004 0.594 -4.054 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.257 1.382 -3.091 1.00 0.00 C ATOM 1416 C GLY A 96 -11.250 0.754 -1.711 1.00 0.00 C ATOM 1417 O GLY A 96 -12.006 -0.180 -1.442 1.00 0.00 O ATOM 0 H GLY A 96 -11.552 -0.275 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.231 1.499 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.689 2.381 -3.030 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.391 1.265 -0.835 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.286 0.748 0.523 1.00 0.00 C ATOM 1423 C ILE A 97 -10.741 1.786 1.544 1.00 0.00 C ATOM 1424 O ILE A 97 -10.237 2.908 1.568 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.845 0.318 0.853 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.450 -0.903 0.020 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.709 0.018 2.339 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.955 -1.060 -0.151 1.00 0.00 C ATOM 0 H ILE A 97 -9.758 2.037 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.938 -0.124 0.579 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.171 1.138 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.850 -1.800 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.914 -0.827 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.685 -0.285 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.954 0.911 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.391 -0.787 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.749 -1.946 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.552 -0.180 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.486 -1.168 0.827 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.696 1.402 2.385 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.219 2.300 3.407 1.00 0.00 C ATOM 1442 C GLU A 98 -11.506 2.082 4.739 1.00 0.00 C ATOM 1443 O GLU A 98 -11.532 0.984 5.295 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.725 2.090 3.583 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.325 2.903 4.717 1.00 0.00 C ATOM 1446 CD GLU A 98 -14.393 4.384 4.401 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -13.480 4.887 3.712 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.358 5.042 4.842 1.00 0.00 O ATOM 0 H GLU A 98 -12.123 0.476 2.379 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.039 3.324 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.231 2.351 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.917 1.032 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -15.328 2.535 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.731 2.755 5.619 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.870 3.135 5.243 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.150 3.057 6.508 1.00 0.00 C ATOM 1457 C GLU A 99 -11.075 3.368 7.682 1.00 0.00 C ATOM 1458 O GLU A 99 -12.095 4.037 7.521 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.966 4.027 6.507 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.940 3.733 5.426 1.00 0.00 C ATOM 1461 CD GLU A 99 -7.109 2.501 5.729 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.912 2.200 6.926 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.655 1.839 4.773 1.00 0.00 O ATOM 0 H GLU A 99 -10.839 4.051 4.795 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.777 2.039 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.339 5.043 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.477 3.991 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -8.451 3.596 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.280 4.593 5.313 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.709 2.877 8.862 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.504 3.103 10.063 1.00 0.00 C ATOM 1472 C ALA A 100 -11.655 4.594 10.348 1.00 0.00 C ATOM 1473 O ALA A 100 -12.769 5.099 10.483 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.874 2.397 11.253 1.00 0.00 C ATOM 0 H ALA A 100 -9.867 2.320 9.012 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.498 2.689 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.478 2.574 12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.824 1.326 11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.868 2.784 11.415 1.00 0.00 H new ATOM 1480 N SER A 101 -10.527 5.291 10.439 1.00 0.00 N ATOM 1481 CA SER A 101 -10.535 6.724 10.713 1.00 0.00 C ATOM 1482 C SER A 101 -11.664 7.416 9.955 1.00 0.00 C ATOM 1483 O SER A 101 -12.350 8.281 10.497 1.00 0.00 O ATOM 1484 CB SER A 101 -9.191 7.345 10.330 1.00 0.00 C ATOM 1485 OG SER A 101 -8.933 8.512 11.090 1.00 0.00 O ATOM 0 H SER A 101 -9.597 4.888 10.327 1.00 0.00 H new ATOM 0 HA SER A 101 -10.700 6.864 11.781 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.393 6.620 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.190 7.591 9.268 1.00 0.00 H new ATOM 0 HG SER A 101 -8.067 8.889 10.827 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.849 7.028 8.697 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.894 7.621 7.884 1.00 0.00 C ATOM 1493 C GLY A 102 -12.379 8.115 6.547 1.00 0.00 C ATOM 1494 O GLY A 102 -12.954 9.023 5.949 1.00 0.00 O ATOM 0 H GLY A 102 -11.294 6.313 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.681 6.886 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.344 8.453 8.426 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.288 7.518 6.077 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.695 7.902 4.802 1.00 0.00 C ATOM 1500 C ALA A 103 -10.910 6.820 3.749 1.00 0.00 C ATOM 1501 O ALA A 103 -11.160 5.660 4.077 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.211 8.186 4.975 1.00 0.00 C ATOM 0 H ALA A 103 -10.797 6.766 6.561 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.189 8.810 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.781 8.472 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.077 8.999 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.710 7.292 5.345 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.811 7.207 2.481 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.995 6.271 1.379 1.00 0.00 C ATOM 1510 C PHE A 104 -9.782 6.273 0.454 1.00 0.00 C ATOM 1511 O PHE A 104 -9.599 7.189 -0.348 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.256 6.626 0.586 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.488 5.918 1.071 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.774 4.630 0.649 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.360 6.541 1.949 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.908 3.976 1.094 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.496 5.892 2.398 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.769 4.608 1.970 1.00 0.00 C ATOM 0 H PHE A 104 -10.604 8.163 2.192 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.107 5.272 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.420 7.702 0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.096 6.382 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.104 4.131 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -14.150 7.545 2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.120 2.972 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -16.168 6.389 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.655 4.098 2.320 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.953 5.239 0.573 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.757 5.121 -0.252 1.00 0.00 C ATOM 1530 C VAL A 105 -8.113 4.742 -1.686 1.00 0.00 C ATOM 1531 O VAL A 105 -8.993 3.913 -1.919 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.784 4.072 0.318 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.632 3.832 -0.646 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.268 4.509 1.680 1.00 0.00 C ATOM 0 H VAL A 105 -9.088 4.473 1.232 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.272 6.097 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.323 3.133 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.955 3.088 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.023 3.471 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.091 4.765 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.582 3.756 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.745 5.461 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.106 4.624 2.367 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.424 5.354 -2.642 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.669 5.084 -4.053 1.00 0.00 C ATOM 1546 C TYR A 106 -6.395 4.607 -4.745 1.00 0.00 C ATOM 1547 O TYR A 106 -5.302 5.106 -4.473 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.202 6.336 -4.750 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.474 6.876 -4.134 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.415 6.021 -3.576 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.733 8.241 -4.112 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.579 6.509 -3.013 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.893 8.738 -3.550 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.813 7.869 -3.002 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.970 8.360 -2.442 1.00 0.00 O ATOM 0 H TYR A 106 -6.691 6.041 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.417 4.294 -4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.437 7.111 -4.721 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.385 6.107 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.234 4.956 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.016 8.925 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.301 5.830 -2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.078 9.802 -3.540 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.980 9.337 -2.515 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.543 3.638 -5.641 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.406 3.093 -6.375 1.00 0.00 C ATOM 1567 C LEU A 107 -5.571 3.309 -7.876 1.00 0.00 C ATOM 1568 O LEU A 107 -6.142 2.471 -8.574 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.250 1.600 -6.077 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.348 1.196 -4.605 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.788 0.881 -4.233 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.448 0.003 -4.319 1.00 0.00 C ATOM 0 H LEU A 107 -7.440 3.213 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.509 3.619 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.014 1.057 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.283 1.273 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.012 2.034 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.838 0.596 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.408 1.762 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.152 0.059 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.530 -0.271 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.754 -0.840 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.414 0.264 -4.546 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.066 4.436 -8.365 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.157 4.762 -9.783 1.00 0.00 C ATOM 1586 C ARG A 108 -3.993 4.151 -10.557 1.00 0.00 C ATOM 1587 O ARG A 108 -4.183 3.568 -11.624 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.174 6.279 -9.980 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.271 6.982 -9.197 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.704 8.270 -9.880 1.00 0.00 C ATOM 1591 NE ARG A 108 -5.563 9.064 -10.328 1.00 0.00 N ATOM 1592 CZ ARG A 108 -5.673 10.143 -11.094 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.867 10.557 -11.494 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -4.587 10.812 -11.460 1.00 0.00 N ATOM 0 H ARG A 108 -4.589 5.139 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.087 4.342 -10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.208 6.687 -9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.299 6.498 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.129 6.317 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.916 7.204 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.337 8.032 -10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.308 8.860 -9.191 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.630 8.774 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.704 10.046 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.949 11.386 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.667 10.497 -11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.673 11.641 -12.048 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.789 4.290 -10.011 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.594 3.753 -10.652 1.00 0.00 C ATOM 1610 C GLN A 109 -0.585 3.277 -9.611 1.00 0.00 C ATOM 1611 O GLN A 109 -0.411 3.888 -8.557 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.953 4.810 -11.553 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.406 6.007 -10.794 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.467 7.051 -10.506 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.479 7.132 -11.202 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.242 7.857 -9.475 1.00 0.00 N ATOM 0 H GLN A 109 -2.615 4.769 -9.128 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.892 2.899 -11.261 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.144 4.349 -12.120 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.692 5.156 -12.276 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.029 5.668 -9.854 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.398 6.462 -11.372 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.389 7.755 -8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.922 8.578 -9.234 1.00 0.00 H new ATOM 1625 N PRO A 110 0.094 2.161 -9.912 1.00 0.00 N ATOM 1626 CA PRO A 110 1.097 1.579 -9.015 1.00 0.00 C ATOM 1627 C PRO A 110 2.355 2.435 -8.917 1.00 0.00 C ATOM 1628 O PRO A 110 2.351 3.606 -9.299 1.00 0.00 O ATOM 1629 CB PRO A 110 1.417 0.232 -9.667 1.00 0.00 C ATOM 1630 CG PRO A 110 1.095 0.424 -11.109 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.063 1.382 -11.151 1.00 0.00 C ATOM 0 HA PRO A 110 0.729 1.497 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.464 -0.037 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.821 -0.570 -9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.952 0.824 -11.650 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.835 -0.524 -11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.025 2.020 -12.034 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.018 0.857 -11.177 1.00 0.00 H new ATOM 1639 N TYR A 111 3.428 1.846 -8.404 1.00 0.00 N ATOM 1640 CA TYR A 111 4.693 2.555 -8.254 1.00 0.00 C ATOM 1641 C TYR A 111 5.857 1.708 -8.760 1.00 0.00 C ATOM 1642 O TYR A 111 6.252 0.732 -8.122 1.00 0.00 O ATOM 1643 CB TYR A 111 4.920 2.932 -6.789 1.00 0.00 C ATOM 1644 CG TYR A 111 6.210 3.683 -6.550 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.395 4.963 -7.059 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.243 3.114 -5.817 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.572 5.654 -6.844 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.424 3.798 -5.596 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.583 5.067 -6.111 1.00 0.00 C ATOM 1650 OH TYR A 111 9.757 5.751 -5.894 1.00 0.00 O ATOM 0 H TYR A 111 3.448 0.878 -8.084 1.00 0.00 H new ATOM 0 HA TYR A 111 4.643 3.465 -8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.085 3.543 -6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.920 2.025 -6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.605 5.425 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.122 2.120 -5.413 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.700 6.648 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.217 3.341 -5.023 1.00 0.00 H new ATOM 0 HH TYR A 111 9.622 6.416 -5.186 1.00 0.00 H new ATOM 1660 N TYR A 112 6.400 2.090 -9.910 1.00 0.00 N ATOM 1661 CA TYR A 112 7.518 1.365 -10.504 1.00 0.00 C ATOM 1662 C TYR A 112 8.847 2.022 -10.141 1.00 0.00 C ATOM 1663 O TYR A 112 9.721 2.190 -10.991 1.00 0.00 O ATOM 1664 CB TYR A 112 7.364 1.306 -12.024 1.00 0.00 C ATOM 1665 CG TYR A 112 5.992 0.863 -12.477 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.544 -0.432 -12.237 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.143 1.736 -13.145 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.291 -0.842 -12.649 1.00 0.00 C ATOM 1669 CE2 TYR A 112 3.887 1.335 -13.559 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.466 0.045 -13.309 1.00 0.00 C ATOM 1671 OH TYR A 112 2.216 -0.358 -13.722 1.00 0.00 O ATOM 0 H TYR A 112 6.085 2.896 -10.449 1.00 0.00 H new ATOM 0 HA TYR A 112 7.514 0.350 -10.105 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.574 2.291 -12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.110 0.622 -12.430 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.187 -1.129 -11.720 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.470 2.746 -13.344 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.959 -1.851 -12.456 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.239 2.027 -14.075 1.00 0.00 H new ATOM 0 HH TYR A 112 1.763 0.387 -14.170 1.00 0.00 H new ATOM 1869 N SER B 9 -2.418 2.063 9.422 1.00 0.00 N ATOM 1870 CA SER B 9 -3.834 2.407 9.430 1.00 0.00 C ATOM 1871 C SER B 9 -4.699 1.153 9.333 1.00 0.00 C ATOM 1872 O SER B 9 -4.391 0.231 8.577 1.00 0.00 O ATOM 1873 CB SER B 9 -4.157 3.354 8.272 1.00 0.00 C ATOM 1874 OG SER B 9 -3.459 4.579 8.406 1.00 0.00 O ATOM 0 HA SER B 9 -4.055 2.908 10.372 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.891 2.882 7.327 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.230 3.544 8.242 1.00 0.00 H new ATOM 0 HG SER B 9 -2.556 4.406 8.746 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.782 1.128 10.101 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.692 -0.010 10.103 1.00 0.00 C ATOM 1882 C ASP B 10 -7.901 0.258 9.210 1.00 0.00 C ATOM 1883 O ASP B 10 -8.164 1.401 8.832 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.154 -0.320 11.528 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.258 -1.327 12.221 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -6.355 -2.529 11.898 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -5.458 -0.912 13.087 1.00 0.00 O ATOM 0 H ASP B 10 -6.051 1.884 10.731 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.155 -0.872 9.708 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.176 0.602 12.108 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.174 -0.704 11.501 1.00 0.00 H new ATOM 1892 N LEU B 11 -8.632 -0.799 8.878 1.00 0.00 N ATOM 1893 CA LEU B 11 -9.812 -0.678 8.029 1.00 0.00 C ATOM 1894 C LEU B 11 -11.073 -0.518 8.871 1.00 0.00 C ATOM 1895 O LEU B 11 -11.004 -0.383 10.092 1.00 0.00 O ATOM 1896 CB LEU B 11 -9.940 -1.904 7.123 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.278 -1.796 5.749 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.064 -0.882 5.813 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -8.883 -3.174 5.237 1.00 0.00 C ATOM 0 H LEU B 11 -8.429 -1.751 9.184 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.696 0.212 7.410 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.513 -2.761 7.643 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.000 -2.114 6.978 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.997 -1.364 5.053 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.605 -0.817 4.826 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.374 0.112 6.136 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.342 -1.285 6.523 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.413 -3.078 4.258 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.181 -3.633 5.933 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.772 -3.799 5.153 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.226 -0.538 8.209 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.504 -0.398 8.897 1.00 0.00 C ATOM 1913 C ASN B 12 -14.069 -1.762 9.281 1.00 0.00 C ATOM 1914 O ASN B 12 -14.358 -2.020 10.450 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.504 0.350 8.011 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.310 -0.586 7.132 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.372 -1.068 7.527 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -14.806 -0.849 5.931 1.00 0.00 N ATOM 0 H ASN B 12 -12.301 -0.650 7.198 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.336 0.175 9.809 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.182 0.927 8.640 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -13.968 1.062 7.383 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.303 -1.473 5.295 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -13.922 -0.427 5.645 1.00 0.00 H new