USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 844 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 94 SER OG : rot 180:sc= 0.00252 USER MOD Set 1.2: A 98 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-10!) USER MOD Set 2.1: A 58 SER OG : rot 60:sc= -0.728 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -164:sc= -1.53 (180deg=-2.14) USER MOD Set 3.1: A 53 ASN : amide:sc= -4.47! C(o=-5.6!,f=-6.8!) USER MOD Set 3.2: A 118 LYS NZ :NH3+ 160:sc= -1.18 (180deg=-1.97!) USER MOD Set 4.1: A 12 THR OG1 : rot 159:sc= 0 USER MOD Set 4.2: A 27 ASN :FLIP amide:sc= -0.432 F(o=-1.7,f=-0.43) USER MOD Single : A 8 SER OG : rot -11:sc= 0.929 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 125:sc= -9.67! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 50:sc= 0.00322 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.0752 X(o=0.075,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 36 SER OG : rot 153:sc= -2.25! USER MOD Single : A 41 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 137:sc= -0.2 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 74:sc= 1.15 USER MOD Single : A 62 SER OG : rot -24:sc= 1.9 USER MOD Single : A 65 ASN : amide:sc= -3.73! C(o=-3.7!,f=-4.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -2.55! USER MOD Single : A 69 MET CE :methyl 162:sc= -10.2! (180deg=-12.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 60:sc= 0.425 USER MOD Single : A 76 TYR OH : rot 79:sc= 2.27 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00835 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 89 GLN : amide:sc= -0.481 K(o=-0.48,f=-4.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.0915 (180deg=-0.53) USER MOD Single : A 92 THR OG1 : rot 91:sc= 0.0405 USER MOD Single : A 97 ASN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -169:sc= -7.71! (180deg=-8.88!) USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -170:sc= -0.662 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 7.910 -9.219 2.405 1.00 0.00 N ATOM 2 CA SER A 8 7.685 -7.784 2.527 1.00 0.00 C ATOM 3 C SER A 8 8.480 -7.030 1.467 1.00 0.00 C ATOM 4 O SER A 8 9.709 -7.096 1.441 1.00 0.00 O ATOM 5 CB SER A 8 8.079 -7.301 3.925 1.00 0.00 C ATOM 6 OG SER A 8 9.466 -7.015 3.997 1.00 0.00 O ATOM 0 HA SER A 8 6.624 -7.586 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.507 -6.408 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.823 -8.063 4.661 1.00 0.00 H new ATOM 0 HG SER A 8 9.911 -7.351 3.191 1.00 0.00 H new ATOM 12 N TRP A 9 7.778 -6.323 0.586 1.00 0.00 N ATOM 13 CA TRP A 9 8.442 -5.574 -0.477 1.00 0.00 C ATOM 14 C TRP A 9 7.579 -4.426 -0.993 1.00 0.00 C ATOM 15 O TRP A 9 6.347 -4.484 -0.946 1.00 0.00 O ATOM 16 CB TRP A 9 8.823 -6.510 -1.627 1.00 0.00 C ATOM 17 CG TRP A 9 7.676 -6.867 -2.527 1.00 0.00 C ATOM 18 CD1 TRP A 9 7.273 -6.196 -3.645 1.00 0.00 C ATOM 19 CD2 TRP A 9 6.793 -7.986 -2.389 1.00 0.00 C ATOM 20 NE1 TRP A 9 6.192 -6.828 -4.210 1.00 0.00 N ATOM 21 CE2 TRP A 9 5.879 -7.930 -3.458 1.00 0.00 C ATOM 22 CE3 TRP A 9 6.687 -9.029 -1.467 1.00 0.00 C ATOM 23 CZ2 TRP A 9 4.876 -8.878 -3.628 1.00 0.00 C ATOM 24 CZ3 TRP A 9 5.691 -9.971 -1.638 1.00 0.00 C ATOM 25 CH2 TRP A 9 4.796 -9.891 -2.713 1.00 0.00 C ATOM 0 H TRP A 9 6.760 -6.253 0.586 1.00 0.00 H new ATOM 0 HA TRP A 9 9.347 -5.138 -0.053 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.606 -6.039 -2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.245 -7.425 -1.213 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.736 -5.299 -4.029 1.00 0.00 H new ATOM 0 HE1 TRP A 9 5.702 -6.526 -5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 9 7.372 -9.098 -0.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 4.184 -8.816 -4.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.601 -10.783 -0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.029 -10.643 -2.821 1.00 0.00 H new ATOM 36 N THR A 10 8.243 -3.382 -1.484 1.00 0.00 N ATOM 37 CA THR A 10 7.558 -2.209 -2.014 1.00 0.00 C ATOM 38 C THR A 10 7.464 -2.264 -3.534 1.00 0.00 C ATOM 39 O THR A 10 8.381 -2.732 -4.209 1.00 0.00 O ATOM 40 CB THR A 10 8.298 -0.931 -1.613 1.00 0.00 C ATOM 41 OG1 THR A 10 9.113 -1.156 -0.477 1.00 0.00 O ATOM 42 CG2 THR A 10 7.377 0.224 -1.297 1.00 0.00 C ATOM 0 H THR A 10 9.261 -3.326 -1.525 1.00 0.00 H new ATOM 0 HA THR A 10 6.552 -2.203 -1.594 1.00 0.00 H new ATOM 0 HB THR A 10 8.899 -0.665 -2.483 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.578 -0.327 -0.239 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.969 1.096 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.773 0.458 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.723 -0.048 -0.468 1.00 0.00 H new ATOM 50 N TYR A 11 6.363 -1.748 -4.062 1.00 0.00 N ATOM 51 CA TYR A 11 6.155 -1.698 -5.502 1.00 0.00 C ATOM 52 C TYR A 11 5.940 -0.254 -5.918 1.00 0.00 C ATOM 53 O TYR A 11 4.862 0.302 -5.722 1.00 0.00 O ATOM 54 CB TYR A 11 4.958 -2.558 -5.940 1.00 0.00 C ATOM 55 CG TYR A 11 4.196 -3.203 -4.803 1.00 0.00 C ATOM 56 CD1 TYR A 11 4.839 -4.037 -3.898 1.00 0.00 C ATOM 57 CD2 TYR A 11 2.834 -2.981 -4.638 1.00 0.00 C ATOM 58 CE1 TYR A 11 4.147 -4.629 -2.861 1.00 0.00 C ATOM 59 CE2 TYR A 11 2.140 -3.573 -3.606 1.00 0.00 C ATOM 60 CZ TYR A 11 2.798 -4.394 -2.723 1.00 0.00 C ATOM 61 OH TYR A 11 2.107 -4.971 -1.691 1.00 0.00 O ATOM 0 H TYR A 11 5.598 -1.357 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 11 7.040 -2.105 -5.992 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.271 -1.936 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.315 -3.340 -6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.897 -4.225 -4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.312 -2.335 -5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.661 -5.273 -2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.081 -3.392 -3.491 1.00 0.00 H new ATOM 0 HH TYR A 11 1.647 -4.276 -1.176 1.00 0.00 H new ATOM 71 N THR A 12 6.979 0.361 -6.471 1.00 0.00 N ATOM 72 CA THR A 12 6.900 1.752 -6.891 1.00 0.00 C ATOM 73 C THR A 12 5.627 2.006 -7.698 1.00 0.00 C ATOM 74 O THR A 12 5.168 1.138 -8.441 1.00 0.00 O ATOM 75 CB THR A 12 8.140 2.132 -7.695 1.00 0.00 C ATOM 76 OG1 THR A 12 8.383 1.189 -8.723 1.00 0.00 O ATOM 77 CG2 THR A 12 9.387 2.217 -6.841 1.00 0.00 C ATOM 0 H THR A 12 7.883 -0.081 -6.638 1.00 0.00 H new ATOM 0 HA THR A 12 6.860 2.380 -6.001 1.00 0.00 H new ATOM 0 HB THR A 12 7.931 3.116 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.946 1.596 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.238 2.491 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.247 2.972 -6.067 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.575 1.250 -6.375 1.00 0.00 H new ATOM 85 N ALA A 13 5.045 3.188 -7.523 1.00 0.00 N ATOM 86 CA ALA A 13 3.806 3.542 -8.211 1.00 0.00 C ATOM 87 C ALA A 13 3.999 3.713 -9.715 1.00 0.00 C ATOM 88 O ALA A 13 3.023 3.834 -10.456 1.00 0.00 O ATOM 89 CB ALA A 13 3.209 4.800 -7.600 1.00 0.00 C ATOM 0 H ALA A 13 5.410 3.918 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 13 3.113 2.712 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.286 5.055 -8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.995 4.626 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.918 5.622 -7.695 1.00 0.00 H new ATOM 95 N ALA A 14 5.246 3.713 -10.174 1.00 0.00 N ATOM 96 CA ALA A 14 5.516 3.859 -11.598 1.00 0.00 C ATOM 97 C ALA A 14 5.081 2.614 -12.356 1.00 0.00 C ATOM 98 O ALA A 14 4.679 2.689 -13.517 1.00 0.00 O ATOM 99 CB ALA A 14 6.982 4.167 -11.840 1.00 0.00 C ATOM 0 H ALA A 14 6.076 3.615 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 14 4.934 4.701 -11.974 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.160 4.272 -12.910 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.247 5.096 -11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.594 3.355 -11.448 1.00 0.00 H new ATOM 105 N SER A 15 5.131 1.472 -11.680 1.00 0.00 N ATOM 106 CA SER A 15 4.707 0.214 -12.280 1.00 0.00 C ATOM 107 C SER A 15 3.188 0.072 -12.178 1.00 0.00 C ATOM 108 O SER A 15 2.608 -0.900 -12.660 1.00 0.00 O ATOM 109 CB SER A 15 5.396 -0.964 -11.588 1.00 0.00 C ATOM 110 OG SER A 15 5.840 -1.922 -12.532 1.00 0.00 O ATOM 0 H SER A 15 5.460 1.392 -10.718 1.00 0.00 H new ATOM 0 HA SER A 15 4.992 0.213 -13.332 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.244 -0.602 -11.006 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.705 -1.433 -10.887 1.00 0.00 H new ATOM 0 HG SER A 15 6.278 -2.664 -12.064 1.00 0.00 H new ATOM 116 N ALA A 16 2.552 1.058 -11.540 1.00 0.00 N ATOM 117 CA ALA A 16 1.107 1.065 -11.363 1.00 0.00 C ATOM 118 C ALA A 16 0.431 1.913 -12.437 1.00 0.00 C ATOM 119 O ALA A 16 1.041 2.247 -13.452 1.00 0.00 O ATOM 120 CB ALA A 16 0.764 1.594 -9.975 1.00 0.00 C ATOM 0 H ALA A 16 3.025 1.866 -11.136 1.00 0.00 H new ATOM 0 HA ALA A 16 0.738 0.044 -11.460 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.318 1.598 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.218 0.953 -9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.147 2.609 -9.868 1.00 0.00 H new ATOM 126 N SER A 17 -0.830 2.266 -12.202 1.00 0.00 N ATOM 127 CA SER A 17 -1.582 3.082 -13.147 1.00 0.00 C ATOM 128 C SER A 17 -1.841 4.470 -12.570 1.00 0.00 C ATOM 129 O SER A 17 -2.704 4.647 -11.712 1.00 0.00 O ATOM 130 CB SER A 17 -2.908 2.403 -13.496 1.00 0.00 C ATOM 131 OG SER A 17 -3.848 2.547 -12.444 1.00 0.00 O ATOM 0 H SER A 17 -1.351 2.000 -11.366 1.00 0.00 H new ATOM 0 HA SER A 17 -0.990 3.189 -14.056 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.312 2.836 -14.411 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.737 1.345 -13.693 1.00 0.00 H new ATOM 0 HG SER A 17 -3.901 3.489 -12.179 1.00 0.00 H new ATOM 137 N ILE A 18 -1.085 5.452 -13.050 1.00 0.00 N ATOM 138 CA ILE A 18 -1.225 6.827 -12.586 1.00 0.00 C ATOM 139 C ILE A 18 -2.290 7.561 -13.399 1.00 0.00 C ATOM 140 O ILE A 18 -1.999 8.150 -14.441 1.00 0.00 O ATOM 141 CB ILE A 18 0.133 7.578 -12.663 1.00 0.00 C ATOM 142 CG1 ILE A 18 0.964 7.310 -11.415 1.00 0.00 C ATOM 143 CG2 ILE A 18 -0.048 9.067 -12.822 1.00 0.00 C ATOM 144 CD1 ILE A 18 1.542 5.938 -11.399 1.00 0.00 C ATOM 0 H ILE A 18 -0.367 5.320 -13.762 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.541 6.803 -11.543 1.00 0.00 H new ATOM 0 HB ILE A 18 0.651 7.200 -13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.770 8.041 -11.355 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.342 7.449 -10.531 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.928 9.549 -12.871 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.600 9.271 -13.740 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.604 9.459 -11.970 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.125 5.799 -10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.737 5.204 -11.430 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.188 5.805 -12.267 1.00 0.00 H new ATOM 156 N THR A 19 -3.527 7.518 -12.912 1.00 0.00 N ATOM 157 CA THR A 19 -4.639 8.177 -13.589 1.00 0.00 C ATOM 158 C THR A 19 -4.808 9.604 -13.081 1.00 0.00 C ATOM 159 O THR A 19 -4.772 9.852 -11.877 1.00 0.00 O ATOM 160 CB THR A 19 -5.932 7.390 -13.370 1.00 0.00 C ATOM 161 OG1 THR A 19 -5.755 6.028 -13.713 1.00 0.00 O ATOM 162 CG2 THR A 19 -7.097 7.919 -14.179 1.00 0.00 C ATOM 0 H THR A 19 -3.784 7.034 -12.052 1.00 0.00 H new ATOM 0 HA THR A 19 -4.419 8.211 -14.656 1.00 0.00 H new ATOM 0 HB THR A 19 -6.163 7.503 -12.311 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.593 5.542 -13.564 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.983 7.317 -13.978 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.292 8.955 -13.902 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.856 7.867 -15.241 1.00 0.00 H new ATOM 170 N ALA A 20 -4.992 10.541 -14.007 1.00 0.00 N ATOM 171 CA ALA A 20 -5.166 11.945 -13.650 1.00 0.00 C ATOM 172 C ALA A 20 -6.200 12.107 -12.535 1.00 0.00 C ATOM 173 O ALA A 20 -7.173 11.357 -12.470 1.00 0.00 O ATOM 174 CB ALA A 20 -5.576 12.753 -14.872 1.00 0.00 C ATOM 0 H ALA A 20 -5.024 10.353 -15.009 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.211 12.321 -13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.702 13.799 -14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.803 12.673 -15.637 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.516 12.367 -15.265 1.00 0.00 H new ATOM 180 N PRO A 21 -5.999 13.087 -11.632 1.00 0.00 N ATOM 181 CA PRO A 21 -4.853 14.005 -11.669 1.00 0.00 C ATOM 182 C PRO A 21 -3.562 13.388 -11.132 1.00 0.00 C ATOM 183 O PRO A 21 -2.579 14.097 -10.915 1.00 0.00 O ATOM 184 CB PRO A 21 -5.306 15.132 -10.750 1.00 0.00 C ATOM 185 CG PRO A 21 -6.141 14.439 -9.732 1.00 0.00 C ATOM 186 CD PRO A 21 -6.894 13.384 -10.497 1.00 0.00 C ATOM 0 HA PRO A 21 -4.611 14.305 -12.688 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.458 15.642 -10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.877 15.886 -11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.523 13.995 -8.951 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.823 15.134 -9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.078 12.499 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.865 13.747 -10.834 1.00 0.00 H new ATOM 194 N ALA A 22 -3.557 12.075 -10.914 1.00 0.00 N ATOM 195 CA ALA A 22 -2.368 11.405 -10.401 1.00 0.00 C ATOM 196 C ALA A 22 -1.195 11.604 -11.350 1.00 0.00 C ATOM 197 O ALA A 22 -1.371 11.635 -12.568 1.00 0.00 O ATOM 198 CB ALA A 22 -2.630 9.923 -10.186 1.00 0.00 C ATOM 0 H ALA A 22 -4.354 11.461 -11.083 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.117 11.849 -9.438 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.728 9.446 -9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.440 9.797 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.910 9.462 -11.133 1.00 0.00 H new ATOM 204 N GLN A 23 -0.001 11.751 -10.788 1.00 0.00 N ATOM 205 CA GLN A 23 1.191 11.960 -11.600 1.00 0.00 C ATOM 206 C GLN A 23 2.428 11.344 -10.957 1.00 0.00 C ATOM 207 O GLN A 23 2.830 11.727 -9.858 1.00 0.00 O ATOM 208 CB GLN A 23 1.419 13.457 -11.823 1.00 0.00 C ATOM 209 CG GLN A 23 0.396 14.101 -12.743 1.00 0.00 C ATOM 210 CD GLN A 23 0.372 15.612 -12.619 1.00 0.00 C ATOM 211 OE1 GLN A 23 0.969 16.323 -13.427 1.00 0.00 O ATOM 212 NE2 GLN A 23 -0.322 16.110 -11.602 1.00 0.00 N ATOM 0 H GLN A 23 0.167 11.730 -9.782 1.00 0.00 H new ATOM 0 HA GLN A 23 1.027 11.465 -12.557 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.399 13.966 -10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.415 13.605 -12.241 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.618 13.828 -13.775 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.593 13.705 -12.514 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.802 15.483 -10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.375 17.120 -11.467 1.00 0.00 H new ATOM 221 N LEU A 24 3.033 10.393 -11.662 1.00 0.00 N ATOM 222 CA LEU A 24 4.234 9.726 -11.185 1.00 0.00 C ATOM 223 C LEU A 24 5.463 10.599 -11.435 1.00 0.00 C ATOM 224 O LEU A 24 5.929 10.718 -12.568 1.00 0.00 O ATOM 225 CB LEU A 24 4.390 8.387 -11.907 1.00 0.00 C ATOM 226 CG LEU A 24 4.588 7.160 -11.018 1.00 0.00 C ATOM 227 CD1 LEU A 24 6.052 7.000 -10.645 1.00 0.00 C ATOM 228 CD2 LEU A 24 3.722 7.226 -9.771 1.00 0.00 C ATOM 0 H LEU A 24 2.706 10.067 -12.572 1.00 0.00 H new ATOM 0 HA LEU A 24 4.144 9.554 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.505 8.225 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.241 8.460 -12.584 1.00 0.00 H new ATOM 0 HG LEU A 24 4.276 6.286 -11.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.172 6.121 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.647 6.879 -11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.389 7.885 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.890 6.337 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.982 8.114 -9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.672 7.275 -10.059 1.00 0.00 H new ATOM 240 N VAL A 25 5.979 11.217 -10.376 1.00 0.00 N ATOM 241 CA VAL A 25 7.147 12.085 -10.494 1.00 0.00 C ATOM 242 C VAL A 25 8.337 11.534 -9.715 1.00 0.00 C ATOM 243 O VAL A 25 8.244 11.284 -8.513 1.00 0.00 O ATOM 244 CB VAL A 25 6.840 13.510 -9.995 1.00 0.00 C ATOM 245 CG1 VAL A 25 5.786 14.169 -10.873 1.00 0.00 C ATOM 246 CG2 VAL A 25 6.393 13.483 -8.541 1.00 0.00 C ATOM 0 H VAL A 25 5.608 11.133 -9.429 1.00 0.00 H new ATOM 0 HA VAL A 25 7.401 12.121 -11.553 1.00 0.00 H new ATOM 0 HB VAL A 25 7.753 14.101 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.583 15.175 -10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.150 14.225 -11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.869 13.580 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.181 14.499 -8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.493 12.875 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.184 13.056 -7.925 1.00 0.00 H new ATOM 256 N GLY A 26 9.458 11.350 -10.408 1.00 0.00 N ATOM 257 CA GLY A 26 10.653 10.834 -9.768 1.00 0.00 C ATOM 258 C GLY A 26 10.430 9.474 -9.141 1.00 0.00 C ATOM 259 O GLY A 26 10.817 9.238 -7.997 1.00 0.00 O ATOM 0 H GLY A 26 9.559 11.550 -11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.455 10.765 -10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.983 11.535 -9.001 1.00 0.00 H new ATOM 263 N ASN A 27 9.798 8.580 -9.892 1.00 0.00 N ATOM 264 CA ASN A 27 9.515 7.237 -9.406 1.00 0.00 C ATOM 265 C ASN A 27 8.639 7.283 -8.156 1.00 0.00 C ATOM 266 O ASN A 27 8.590 6.325 -7.384 1.00 0.00 O ATOM 267 CB ASN A 27 10.819 6.495 -9.104 1.00 0.00 C ATOM 268 CG ASN A 27 10.772 5.044 -9.539 1.00 0.00 C ATOM 269 OD1 ASN A 27 9.780 4.310 -9.049 1.00 0.00 O flip ATOM 270 ND2 ASN A 27 11.618 4.587 -10.307 1.00 0.00 N flip ATOM 0 H ASN A 27 9.472 8.762 -10.841 1.00 0.00 H new ATOM 0 HA ASN A 27 8.974 6.702 -10.186 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.645 6.996 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.023 6.544 -8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.364 5.187 -10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.574 3.608 -10.591 1.00 0.00 H new ATOM 277 N VAL A 28 7.945 8.402 -7.964 1.00 0.00 N ATOM 278 CA VAL A 28 7.070 8.573 -6.813 1.00 0.00 C ATOM 279 C VAL A 28 5.692 9.060 -7.250 1.00 0.00 C ATOM 280 O VAL A 28 5.576 10.007 -8.029 1.00 0.00 O ATOM 281 CB VAL A 28 7.660 9.573 -5.799 1.00 0.00 C ATOM 282 CG1 VAL A 28 6.799 9.638 -4.546 1.00 0.00 C ATOM 283 CG2 VAL A 28 9.093 9.198 -5.450 1.00 0.00 C ATOM 0 H VAL A 28 7.974 9.204 -8.594 1.00 0.00 H new ATOM 0 HA VAL A 28 6.978 7.599 -6.333 1.00 0.00 H new ATOM 0 HB VAL A 28 7.668 10.562 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.233 10.349 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.792 9.959 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.755 8.652 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.493 9.915 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.112 8.200 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.703 9.210 -6.354 1.00 0.00 H new ATOM 293 N GLY A 29 4.651 8.405 -6.749 1.00 0.00 N ATOM 294 CA GLY A 29 3.297 8.786 -7.106 1.00 0.00 C ATOM 295 C GLY A 29 2.800 9.981 -6.325 1.00 0.00 C ATOM 296 O GLY A 29 3.160 10.168 -5.163 1.00 0.00 O ATOM 0 H GLY A 29 4.720 7.618 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.257 9.012 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.629 7.942 -6.934 1.00 0.00 H new ATOM 300 N GLU A 30 1.969 10.793 -6.967 1.00 0.00 N ATOM 301 CA GLU A 30 1.416 11.979 -6.328 1.00 0.00 C ATOM 302 C GLU A 30 0.012 12.266 -6.843 1.00 0.00 C ATOM 303 O GLU A 30 -0.161 12.795 -7.940 1.00 0.00 O ATOM 304 CB GLU A 30 2.321 13.187 -6.575 1.00 0.00 C ATOM 305 CG GLU A 30 3.791 12.908 -6.303 1.00 0.00 C ATOM 306 CD GLU A 30 4.619 14.175 -6.214 1.00 0.00 C ATOM 307 OE1 GLU A 30 4.306 15.140 -6.942 1.00 0.00 O ATOM 308 OE2 GLU A 30 5.581 14.201 -5.417 1.00 0.00 O ATOM 0 H GLU A 30 1.664 10.651 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 30 1.360 11.792 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.206 13.512 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.993 14.012 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.885 12.351 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.189 12.273 -7.095 1.00 0.00 H new ATOM 315 N LEU A 31 -0.989 11.916 -6.041 1.00 0.00 N ATOM 316 CA LEU A 31 -2.375 12.144 -6.423 1.00 0.00 C ATOM 317 C LEU A 31 -2.762 13.595 -6.179 1.00 0.00 C ATOM 318 O LEU A 31 -2.190 14.264 -5.316 1.00 0.00 O ATOM 319 CB LEU A 31 -3.320 11.244 -5.629 1.00 0.00 C ATOM 320 CG LEU A 31 -3.111 9.746 -5.833 1.00 0.00 C ATOM 321 CD1 LEU A 31 -4.037 8.943 -4.924 1.00 0.00 C ATOM 322 CD2 LEU A 31 -3.339 9.387 -7.290 1.00 0.00 C ATOM 0 H LEU A 31 -0.866 11.476 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.464 11.910 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.207 11.470 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.346 11.492 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.084 9.495 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.872 7.878 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.828 9.189 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.074 9.188 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.188 8.316 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.358 9.650 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.635 9.937 -7.915 1.00 0.00 H new ATOM 334 N GLN A 32 -3.751 14.068 -6.920 1.00 0.00 N ATOM 335 CA GLN A 32 -4.234 15.432 -6.767 1.00 0.00 C ATOM 336 C GLN A 32 -5.728 15.409 -6.470 1.00 0.00 C ATOM 337 O GLN A 32 -6.238 14.404 -5.978 1.00 0.00 O ATOM 338 CB GLN A 32 -3.938 16.246 -8.028 1.00 0.00 C ATOM 339 CG GLN A 32 -3.243 17.567 -7.745 1.00 0.00 C ATOM 340 CD GLN A 32 -2.008 17.773 -8.601 1.00 0.00 C ATOM 341 OE1 GLN A 32 -1.945 18.697 -9.412 1.00 0.00 O ATOM 342 NE2 GLN A 32 -1.016 16.908 -8.421 1.00 0.00 N ATOM 0 H GLN A 32 -4.236 13.527 -7.635 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.718 15.909 -5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.315 15.652 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.873 16.441 -8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.942 18.385 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.962 17.607 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.112 16.157 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.158 16.995 -8.966 1.00 0.00 H new ATOM 351 N GLY A 33 -6.431 16.503 -6.770 1.00 0.00 N ATOM 352 CA GLY A 33 -7.865 16.555 -6.522 1.00 0.00 C ATOM 353 C GLY A 33 -8.545 15.224 -6.793 1.00 0.00 C ATOM 354 O GLY A 33 -8.054 14.430 -7.595 1.00 0.00 O ATOM 0 H GLY A 33 -6.035 17.350 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.042 16.847 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.313 17.324 -7.151 1.00 0.00 H new ATOM 358 N ALA A 34 -9.662 14.971 -6.114 1.00 0.00 N ATOM 359 CA ALA A 34 -10.395 13.715 -6.279 1.00 0.00 C ATOM 360 C ALA A 34 -10.412 13.270 -7.744 1.00 0.00 C ATOM 361 O ALA A 34 -10.231 14.083 -8.651 1.00 0.00 O ATOM 362 CB ALA A 34 -11.820 13.862 -5.764 1.00 0.00 C ATOM 0 H ALA A 34 -10.080 15.617 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.881 12.950 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.353 12.920 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.799 14.125 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.330 14.647 -6.323 1.00 0.00 H new ATOM 368 N GLY A 35 -10.632 11.982 -7.967 1.00 0.00 N ATOM 369 CA GLY A 35 -10.668 11.457 -9.319 1.00 0.00 C ATOM 370 C GLY A 35 -9.431 10.651 -9.666 1.00 0.00 C ATOM 371 O GLY A 35 -9.464 9.812 -10.566 1.00 0.00 O ATOM 0 H GLY A 35 -10.787 11.289 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.551 10.829 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.768 12.283 -10.023 1.00 0.00 H new ATOM 375 N SER A 36 -8.337 10.904 -8.954 1.00 0.00 N ATOM 376 CA SER A 36 -7.087 10.192 -9.195 1.00 0.00 C ATOM 377 C SER A 36 -7.233 8.716 -8.846 1.00 0.00 C ATOM 378 O SER A 36 -8.108 8.340 -8.066 1.00 0.00 O ATOM 379 CB SER A 36 -5.953 10.813 -8.375 1.00 0.00 C ATOM 380 OG SER A 36 -6.287 12.116 -7.929 1.00 0.00 O ATOM 0 H SER A 36 -8.291 11.596 -8.206 1.00 0.00 H new ATOM 0 HA SER A 36 -6.845 10.277 -10.254 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.734 10.178 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.047 10.855 -8.979 1.00 0.00 H new ATOM 0 HG SER A 36 -5.798 12.315 -7.103 1.00 0.00 H new ATOM 386 N ALA A 37 -6.378 7.877 -9.424 1.00 0.00 N ATOM 387 CA ALA A 37 -6.435 6.447 -9.157 1.00 0.00 C ATOM 388 C ALA A 37 -5.110 5.750 -9.451 1.00 0.00 C ATOM 389 O ALA A 37 -4.837 5.361 -10.587 1.00 0.00 O ATOM 390 CB ALA A 37 -7.558 5.797 -9.950 1.00 0.00 C ATOM 0 H ALA A 37 -5.645 8.161 -10.074 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.636 6.331 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.583 4.728 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.510 6.246 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.387 5.950 -11.016 1.00 0.00 H new ATOM 396 N VAL A 38 -4.311 5.569 -8.407 1.00 0.00 N ATOM 397 CA VAL A 38 -3.030 4.883 -8.526 1.00 0.00 C ATOM 398 C VAL A 38 -3.252 3.399 -8.274 1.00 0.00 C ATOM 399 O VAL A 38 -3.166 2.936 -7.139 1.00 0.00 O ATOM 400 CB VAL A 38 -1.978 5.405 -7.511 1.00 0.00 C ATOM 401 CG1 VAL A 38 -0.693 5.801 -8.214 1.00 0.00 C ATOM 402 CG2 VAL A 38 -2.515 6.575 -6.704 1.00 0.00 C ATOM 0 H VAL A 38 -4.529 5.890 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.644 5.070 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.761 4.588 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.027 6.163 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.279 4.935 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.902 6.590 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.752 6.915 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.779 7.391 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.400 6.260 -6.151 1.00 0.00 H new ATOM 412 N ILE A 39 -3.560 2.660 -9.330 1.00 0.00 N ATOM 413 CA ILE A 39 -3.823 1.238 -9.196 1.00 0.00 C ATOM 414 C ILE A 39 -2.564 0.406 -9.398 1.00 0.00 C ATOM 415 O ILE A 39 -1.823 0.596 -10.363 1.00 0.00 O ATOM 416 CB ILE A 39 -4.906 0.770 -10.186 1.00 0.00 C ATOM 417 CG1 ILE A 39 -6.122 1.701 -10.125 1.00 0.00 C ATOM 418 CG2 ILE A 39 -5.316 -0.664 -9.888 1.00 0.00 C ATOM 419 CD1 ILE A 39 -6.693 1.868 -8.732 1.00 0.00 C ATOM 0 H ILE A 39 -3.633 3.020 -10.282 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.181 1.087 -8.178 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.493 0.806 -11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.838 2.680 -10.511 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.900 1.312 -10.782 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.082 -0.978 -10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.448 -1.317 -9.978 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.712 -0.726 -8.875 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.550 2.540 -8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.009 0.897 -8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.931 2.287 -8.074 1.00 0.00 H new ATOM 431 N TRP A 40 -2.338 -0.522 -8.477 1.00 0.00 N ATOM 432 CA TRP A 40 -1.179 -1.400 -8.532 1.00 0.00 C ATOM 433 C TRP A 40 -1.588 -2.790 -9.014 1.00 0.00 C ATOM 434 O TRP A 40 -2.498 -3.405 -8.458 1.00 0.00 O ATOM 435 CB TRP A 40 -0.534 -1.493 -7.150 1.00 0.00 C ATOM 436 CG TRP A 40 0.700 -0.655 -6.993 1.00 0.00 C ATOM 437 CD1 TRP A 40 1.944 -0.935 -7.475 1.00 0.00 C ATOM 438 CD2 TRP A 40 0.811 0.594 -6.293 1.00 0.00 C ATOM 439 NE1 TRP A 40 2.824 0.056 -7.116 1.00 0.00 N ATOM 440 CE2 TRP A 40 2.153 1.005 -6.388 1.00 0.00 C ATOM 441 CE3 TRP A 40 -0.090 1.403 -5.595 1.00 0.00 C ATOM 442 CZ2 TRP A 40 2.613 2.185 -5.809 1.00 0.00 C ATOM 443 CZ3 TRP A 40 0.369 2.575 -5.020 1.00 0.00 C ATOM 444 CH2 TRP A 40 1.711 2.955 -5.130 1.00 0.00 C ATOM 0 H TRP A 40 -2.949 -0.686 -7.677 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.457 -0.987 -9.236 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.264 -1.190 -6.399 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.282 -2.534 -6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.200 -1.809 -8.055 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.816 0.082 -7.352 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.128 1.118 -5.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.648 2.482 -5.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.319 3.206 -4.478 1.00 0.00 H new ATOM 0 HH2 TRP A 40 2.040 3.875 -4.669 1.00 0.00 H new ATOM 455 N ASN A 41 -0.916 -3.280 -10.051 1.00 0.00 N ATOM 456 CA ASN A 41 -1.222 -4.596 -10.601 1.00 0.00 C ATOM 457 C ASN A 41 -0.323 -5.669 -9.995 1.00 0.00 C ATOM 458 O ASN A 41 0.900 -5.623 -10.137 1.00 0.00 O ATOM 459 CB ASN A 41 -1.068 -4.589 -12.123 1.00 0.00 C ATOM 460 CG ASN A 41 -1.724 -3.383 -12.766 1.00 0.00 C ATOM 461 OD1 ASN A 41 -1.174 -2.778 -13.687 1.00 0.00 O ATOM 462 ND2 ASN A 41 -2.908 -3.024 -12.281 1.00 0.00 N ATOM 0 H ASN A 41 -0.159 -2.788 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.256 -4.830 -10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.008 -4.602 -12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.506 -5.499 -12.534 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.397 -2.219 -12.673 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.328 -3.553 -11.517 1.00 0.00 H new ATOM 469 N VAL A 42 -0.939 -6.639 -9.326 1.00 0.00 N ATOM 470 CA VAL A 42 -0.201 -7.732 -8.704 1.00 0.00 C ATOM 471 C VAL A 42 -1.087 -8.962 -8.533 1.00 0.00 C ATOM 472 O VAL A 42 -2.312 -8.852 -8.473 1.00 0.00 O ATOM 473 CB VAL A 42 0.367 -7.324 -7.329 1.00 0.00 C ATOM 474 CG1 VAL A 42 1.239 -6.087 -7.457 1.00 0.00 C ATOM 475 CG2 VAL A 42 -0.756 -7.089 -6.330 1.00 0.00 C ATOM 0 H VAL A 42 -1.950 -6.690 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 42 0.628 -7.972 -9.370 1.00 0.00 H new ATOM 0 HB VAL A 42 0.985 -8.142 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.630 -5.815 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.068 -6.295 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.645 -5.263 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.333 -6.802 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.405 -6.292 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.336 -8.004 -6.213 1.00 0.00 H new ATOM 485 N ASP A 43 -0.463 -10.132 -8.460 1.00 0.00 N ATOM 486 CA ASP A 43 -1.197 -11.380 -8.301 1.00 0.00 C ATOM 487 C ASP A 43 -0.835 -12.070 -6.988 1.00 0.00 C ATOM 488 O ASP A 43 0.321 -12.423 -6.758 1.00 0.00 O ATOM 489 CB ASP A 43 -0.912 -12.310 -9.482 1.00 0.00 C ATOM 490 CG ASP A 43 0.500 -12.866 -9.463 1.00 0.00 C ATOM 491 OD1 ASP A 43 1.439 -12.115 -9.803 1.00 0.00 O ATOM 492 OD2 ASP A 43 0.665 -14.051 -9.106 1.00 0.00 O ATOM 0 H ASP A 43 0.550 -10.242 -8.508 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.262 -11.147 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.623 -13.136 -9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.072 -11.767 -10.413 1.00 0.00 H new ATOM 497 N VAL A 44 -1.836 -12.261 -6.129 1.00 0.00 N ATOM 498 CA VAL A 44 -1.630 -12.914 -4.835 1.00 0.00 C ATOM 499 C VAL A 44 -0.764 -14.168 -4.975 1.00 0.00 C ATOM 500 O VAL A 44 -1.090 -15.071 -5.745 1.00 0.00 O ATOM 501 CB VAL A 44 -2.966 -13.311 -4.160 1.00 0.00 C ATOM 502 CG1 VAL A 44 -3.382 -12.262 -3.142 1.00 0.00 C ATOM 503 CG2 VAL A 44 -4.066 -13.525 -5.192 1.00 0.00 C ATOM 0 H VAL A 44 -2.798 -11.973 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.121 -12.182 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.810 -14.256 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.323 -12.558 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.612 -12.173 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.510 -11.301 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.991 -13.803 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.222 -12.604 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.773 -14.322 -5.876 1.00 0.00 H new ATOM 513 N PRO A 45 0.358 -14.237 -4.235 1.00 0.00 N ATOM 514 CA PRO A 45 1.269 -15.386 -4.291 1.00 0.00 C ATOM 515 C PRO A 45 0.644 -16.666 -3.751 1.00 0.00 C ATOM 516 O PRO A 45 0.666 -17.704 -4.413 1.00 0.00 O ATOM 517 CB PRO A 45 2.443 -14.967 -3.403 1.00 0.00 C ATOM 518 CG PRO A 45 1.893 -13.914 -2.503 1.00 0.00 C ATOM 519 CD PRO A 45 0.833 -13.204 -3.296 1.00 0.00 C ATOM 0 HA PRO A 45 1.548 -15.615 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.827 -15.812 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.271 -14.583 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.474 -14.354 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.674 -13.222 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.028 -12.842 -2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.237 -12.339 -3.822 1.00 0.00 H new ATOM 527 N VAL A 46 0.107 -16.596 -2.538 1.00 0.00 N ATOM 528 CA VAL A 46 -0.498 -17.765 -1.911 1.00 0.00 C ATOM 529 C VAL A 46 -1.692 -17.394 -1.040 1.00 0.00 C ATOM 530 O VAL A 46 -2.155 -16.253 -1.045 1.00 0.00 O ATOM 531 CB VAL A 46 0.525 -18.542 -1.049 1.00 0.00 C ATOM 532 CG1 VAL A 46 0.801 -19.903 -1.659 1.00 0.00 C ATOM 533 CG2 VAL A 46 1.820 -17.752 -0.885 1.00 0.00 C ATOM 0 H VAL A 46 0.078 -15.748 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.840 -18.400 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 46 0.095 -18.685 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.522 -20.439 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.126 -20.473 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.206 -19.776 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.520 -18.323 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.260 -17.567 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.607 -16.800 -0.398 1.00 0.00 H new ATOM 543 N THR A 47 -2.185 -18.378 -0.293 1.00 0.00 N ATOM 544 CA THR A 47 -3.323 -18.183 0.592 1.00 0.00 C ATOM 545 C THR A 47 -2.862 -17.885 2.015 1.00 0.00 C ATOM 546 O THR A 47 -2.632 -18.798 2.809 1.00 0.00 O ATOM 547 CB THR A 47 -4.208 -19.429 0.584 1.00 0.00 C ATOM 548 OG1 THR A 47 -4.020 -20.169 -0.609 1.00 0.00 O ATOM 549 CG2 THR A 47 -5.682 -19.115 0.699 1.00 0.00 C ATOM 0 H THR A 47 -1.808 -19.326 -0.286 1.00 0.00 H new ATOM 0 HA THR A 47 -3.896 -17.329 0.230 1.00 0.00 H new ATOM 0 HB THR A 47 -3.905 -20.004 1.459 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.593 -20.964 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.254 -20.043 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.869 -18.585 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.987 -18.490 -0.140 1.00 0.00 H new ATOM 557 N GLY A 48 -2.730 -16.601 2.333 1.00 0.00 N ATOM 558 CA GLY A 48 -2.297 -16.205 3.660 1.00 0.00 C ATOM 559 C GLY A 48 -2.690 -14.780 3.991 1.00 0.00 C ATOM 560 O GLY A 48 -3.230 -14.066 3.145 1.00 0.00 O ATOM 0 H GLY A 48 -2.915 -15.827 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.731 -16.880 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.214 -16.307 3.732 1.00 0.00 H new ATOM 564 N GLU A 49 -2.422 -14.361 5.223 1.00 0.00 N ATOM 565 CA GLU A 49 -2.755 -13.009 5.654 1.00 0.00 C ATOM 566 C GLU A 49 -1.611 -12.048 5.371 1.00 0.00 C ATOM 567 O GLU A 49 -0.517 -12.195 5.917 1.00 0.00 O ATOM 568 CB GLU A 49 -3.088 -12.984 7.148 1.00 0.00 C ATOM 569 CG GLU A 49 -3.444 -11.598 7.668 1.00 0.00 C ATOM 570 CD GLU A 49 -3.770 -11.599 9.149 1.00 0.00 C ATOM 571 OE1 GLU A 49 -3.359 -12.549 9.847 1.00 0.00 O ATOM 572 OE2 GLU A 49 -4.437 -10.649 9.611 1.00 0.00 O ATOM 0 H GLU A 49 -1.977 -14.936 5.938 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.630 -12.689 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.922 -13.660 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.235 -13.366 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.611 -10.919 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.299 -11.213 7.111 1.00 0.00 H new ATOM 579 N TYR A 50 -1.870 -11.055 4.528 1.00 0.00 N ATOM 580 CA TYR A 50 -0.860 -10.066 4.195 1.00 0.00 C ATOM 581 C TYR A 50 -1.290 -8.699 4.700 1.00 0.00 C ATOM 582 O TYR A 50 -2.318 -8.161 4.286 1.00 0.00 O ATOM 583 CB TYR A 50 -0.618 -10.029 2.686 1.00 0.00 C ATOM 584 CG TYR A 50 -0.422 -11.397 2.065 1.00 0.00 C ATOM 585 CD1 TYR A 50 0.068 -12.464 2.812 1.00 0.00 C ATOM 586 CD2 TYR A 50 -0.729 -11.621 0.731 1.00 0.00 C ATOM 587 CE1 TYR A 50 0.243 -13.710 2.246 1.00 0.00 C ATOM 588 CE2 TYR A 50 -0.556 -12.866 0.157 1.00 0.00 C ATOM 589 CZ TYR A 50 -0.069 -13.907 0.918 1.00 0.00 C ATOM 590 OH TYR A 50 0.105 -15.147 0.350 1.00 0.00 O ATOM 0 H TYR A 50 -2.769 -10.916 4.066 1.00 0.00 H new ATOM 0 HA TYR A 50 0.076 -10.343 4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.464 -9.539 2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.262 -9.419 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.316 -12.314 3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.110 -10.808 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.623 -14.527 2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.801 -13.023 -0.883 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.668 -15.360 -0.213 1.00 0.00 H new ATOM 600 N ARG A 51 -0.506 -8.146 5.613 1.00 0.00 N ATOM 601 CA ARG A 51 -0.816 -6.851 6.186 1.00 0.00 C ATOM 602 C ARG A 51 -0.399 -5.730 5.241 1.00 0.00 C ATOM 603 O ARG A 51 0.753 -5.652 4.814 1.00 0.00 O ATOM 604 CB ARG A 51 -0.142 -6.708 7.551 1.00 0.00 C ATOM 605 CG ARG A 51 1.361 -6.936 7.521 1.00 0.00 C ATOM 606 CD ARG A 51 2.060 -6.207 8.658 1.00 0.00 C ATOM 607 NE ARG A 51 1.398 -6.431 9.942 1.00 0.00 N ATOM 608 CZ ARG A 51 1.720 -5.790 11.063 1.00 0.00 C ATOM 609 NH1 ARG A 51 2.689 -4.884 11.064 1.00 0.00 N ATOM 610 NH2 ARG A 51 1.069 -6.055 12.188 1.00 0.00 N ATOM 0 H ARG A 51 0.347 -8.575 5.971 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.894 -6.776 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.341 -5.710 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.594 -7.417 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.569 -8.004 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.763 -6.594 6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.095 -6.542 8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.083 -5.139 8.444 1.00 0.00 H new ATOM 0 HE ARG A 51 0.646 -7.119 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.193 -4.675 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.931 -4.397 11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.322 -6.750 12.194 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.315 -5.564 13.048 1.00 0.00 H new ATOM 624 N ILE A 52 -1.361 -4.878 4.904 1.00 0.00 N ATOM 625 CA ILE A 52 -1.134 -3.767 3.991 1.00 0.00 C ATOM 626 C ILE A 52 -0.435 -2.604 4.681 1.00 0.00 C ATOM 627 O ILE A 52 -0.625 -2.365 5.870 1.00 0.00 O ATOM 628 CB ILE A 52 -2.469 -3.271 3.385 1.00 0.00 C ATOM 629 CG1 ILE A 52 -3.152 -4.400 2.609 1.00 0.00 C ATOM 630 CG2 ILE A 52 -2.248 -2.067 2.479 1.00 0.00 C ATOM 631 CD1 ILE A 52 -2.209 -5.169 1.711 1.00 0.00 C ATOM 0 H ILE A 52 -2.317 -4.939 5.255 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.488 -4.138 3.195 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.117 -2.962 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.612 -5.090 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.956 -3.980 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.203 -1.741 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.805 -1.255 3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.578 -2.342 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.760 -5.953 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.768 -4.491 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.419 -5.618 2.313 1.00 0.00 H new ATOM 643 N ASN A 53 0.372 -1.885 3.910 1.00 0.00 N ATOM 644 CA ASN A 53 1.104 -0.734 4.416 1.00 0.00 C ATOM 645 C ASN A 53 1.281 0.299 3.311 1.00 0.00 C ATOM 646 O ASN A 53 2.033 0.075 2.363 1.00 0.00 O ATOM 647 CB ASN A 53 2.470 -1.165 4.953 1.00 0.00 C ATOM 648 CG ASN A 53 2.379 -2.369 5.870 1.00 0.00 C ATOM 649 OD1 ASN A 53 2.484 -2.245 7.091 1.00 0.00 O ATOM 650 ND2 ASN A 53 2.184 -3.545 5.284 1.00 0.00 N ATOM 0 H ASN A 53 0.536 -2.083 2.923 1.00 0.00 H new ATOM 0 HA ASN A 53 0.533 -0.289 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.129 -1.398 4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.923 -0.334 5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.116 -4.391 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.103 -3.602 4.269 1.00 0.00 H new ATOM 657 N LEU A 54 0.586 1.427 3.427 1.00 0.00 N ATOM 658 CA LEU A 54 0.685 2.471 2.413 1.00 0.00 C ATOM 659 C LEU A 54 1.631 3.574 2.858 1.00 0.00 C ATOM 660 O LEU A 54 1.418 4.225 3.881 1.00 0.00 O ATOM 661 CB LEU A 54 -0.699 3.061 2.082 1.00 0.00 C ATOM 662 CG LEU A 54 -1.371 2.528 0.800 1.00 0.00 C ATOM 663 CD1 LEU A 54 -2.079 3.639 0.052 1.00 0.00 C ATOM 664 CD2 LEU A 54 -0.363 1.883 -0.129 1.00 0.00 C ATOM 0 H LEU A 54 -0.043 1.640 4.201 1.00 0.00 H new ATOM 0 HA LEU A 54 1.087 2.012 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.364 2.870 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.599 4.143 1.994 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.097 1.779 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.543 3.234 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.846 4.076 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.358 4.407 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.872 1.519 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.390 2.617 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.119 1.048 0.380 1.00 0.00 H new ATOM 676 N THR A 55 2.681 3.771 2.072 1.00 0.00 N ATOM 677 CA THR A 55 3.676 4.792 2.367 1.00 0.00 C ATOM 678 C THR A 55 3.386 6.071 1.592 1.00 0.00 C ATOM 679 O THR A 55 3.398 6.075 0.361 1.00 0.00 O ATOM 680 CB THR A 55 5.078 4.281 2.031 1.00 0.00 C ATOM 681 OG1 THR A 55 5.142 2.872 2.159 1.00 0.00 O ATOM 682 CG2 THR A 55 6.157 4.871 2.913 1.00 0.00 C ATOM 0 H THR A 55 2.865 3.236 1.224 1.00 0.00 H new ATOM 0 HA THR A 55 3.627 5.016 3.433 1.00 0.00 H new ATOM 0 HB THR A 55 5.260 4.593 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.046 2.564 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.126 4.467 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.167 5.955 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.956 4.617 3.954 1.00 0.00 H new ATOM 690 N TRP A 56 3.122 7.154 2.316 1.00 0.00 N ATOM 691 CA TRP A 56 2.827 8.432 1.683 1.00 0.00 C ATOM 692 C TRP A 56 3.427 9.597 2.467 1.00 0.00 C ATOM 693 O TRP A 56 3.835 9.444 3.618 1.00 0.00 O ATOM 694 CB TRP A 56 1.314 8.619 1.533 1.00 0.00 C ATOM 695 CG TRP A 56 0.558 8.532 2.823 1.00 0.00 C ATOM 696 CD1 TRP A 56 0.460 7.450 3.652 1.00 0.00 C ATOM 697 CD2 TRP A 56 -0.224 9.570 3.424 1.00 0.00 C ATOM 698 NE1 TRP A 56 -0.331 7.757 4.736 1.00 0.00 N ATOM 699 CE2 TRP A 56 -0.762 9.053 4.617 1.00 0.00 C ATOM 700 CE3 TRP A 56 -0.517 10.890 3.070 1.00 0.00 C ATOM 701 CZ2 TRP A 56 -1.578 9.810 5.454 1.00 0.00 C ATOM 702 CZ3 TRP A 56 -1.327 11.640 3.902 1.00 0.00 C ATOM 703 CH2 TRP A 56 -1.848 11.098 5.080 1.00 0.00 C ATOM 0 H TRP A 56 3.107 7.171 3.336 1.00 0.00 H new ATOM 0 HA TRP A 56 3.284 8.423 0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.122 9.590 1.076 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.931 7.863 0.848 1.00 0.00 H new ATOM 0 HD1 TRP A 56 0.934 6.494 3.482 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.559 7.124 5.502 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.117 11.317 2.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.983 9.395 6.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.561 12.661 3.638 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.478 11.709 5.709 1.00 0.00 H new ATOM 714 N SER A 57 3.478 10.759 1.820 1.00 0.00 N ATOM 715 CA SER A 57 4.028 11.964 2.431 1.00 0.00 C ATOM 716 C SER A 57 3.250 13.194 1.974 1.00 0.00 C ATOM 717 O SER A 57 3.745 13.998 1.184 1.00 0.00 O ATOM 718 CB SER A 57 5.506 12.114 2.061 1.00 0.00 C ATOM 719 OG SER A 57 5.761 11.610 0.761 1.00 0.00 O ATOM 0 H SER A 57 3.142 10.891 0.866 1.00 0.00 H new ATOM 0 HA SER A 57 3.940 11.876 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.791 13.165 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.121 11.583 2.787 1.00 0.00 H new ATOM 0 HG SER A 57 6.711 11.719 0.548 1.00 0.00 H new ATOM 725 N SER A 58 2.025 13.332 2.471 1.00 0.00 N ATOM 726 CA SER A 58 1.174 14.458 2.107 1.00 0.00 C ATOM 727 C SER A 58 0.875 15.337 3.321 1.00 0.00 C ATOM 728 O SER A 58 -0.089 15.099 4.047 1.00 0.00 O ATOM 729 CB SER A 58 -0.132 13.953 1.496 1.00 0.00 C ATOM 730 OG SER A 58 -1.040 15.018 1.273 1.00 0.00 O ATOM 0 H SER A 58 1.600 12.677 3.127 1.00 0.00 H new ATOM 0 HA SER A 58 1.707 15.061 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.077 13.446 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.586 13.217 2.160 1.00 0.00 H new ATOM 0 HG SER A 58 -0.638 15.668 0.659 1.00 0.00 H new ATOM 736 N PRO A 59 1.703 16.370 3.553 1.00 0.00 N ATOM 737 CA PRO A 59 1.529 17.289 4.682 1.00 0.00 C ATOM 738 C PRO A 59 0.288 18.162 4.527 1.00 0.00 C ATOM 739 O PRO A 59 0.272 19.094 3.723 1.00 0.00 O ATOM 740 CB PRO A 59 2.798 18.158 4.653 1.00 0.00 C ATOM 741 CG PRO A 59 3.734 17.471 3.714 1.00 0.00 C ATOM 742 CD PRO A 59 2.872 16.723 2.740 1.00 0.00 C ATOM 0 HA PRO A 59 1.392 16.751 5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.573 19.169 4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.235 18.246 5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.368 18.192 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.395 16.791 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.599 17.340 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.376 15.839 2.349 1.00 0.00 H new ATOM 750 N TYR A 60 -0.751 17.857 5.297 1.00 0.00 N ATOM 751 CA TYR A 60 -1.992 18.620 5.238 1.00 0.00 C ATOM 752 C TYR A 60 -2.634 18.736 6.621 1.00 0.00 C ATOM 753 O TYR A 60 -2.395 19.708 7.338 1.00 0.00 O ATOM 754 CB TYR A 60 -2.963 17.972 4.243 1.00 0.00 C ATOM 755 CG TYR A 60 -4.306 18.664 4.156 1.00 0.00 C ATOM 756 CD1 TYR A 60 -4.472 19.805 3.378 1.00 0.00 C ATOM 757 CD2 TYR A 60 -5.408 18.177 4.849 1.00 0.00 C ATOM 758 CE1 TYR A 60 -5.698 20.438 3.295 1.00 0.00 C ATOM 759 CE2 TYR A 60 -6.636 18.806 4.769 1.00 0.00 C ATOM 760 CZ TYR A 60 -6.776 19.936 3.992 1.00 0.00 C ATOM 761 OH TYR A 60 -7.998 20.563 3.910 1.00 0.00 O ATOM 0 H TYR A 60 -0.758 17.089 5.968 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.758 19.628 4.895 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.504 17.966 3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.119 16.932 4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.630 20.202 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.303 17.293 5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.811 21.323 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.483 18.414 5.313 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.650 20.081 4.460 1.00 0.00 H new ATOM 771 N SER A 61 -3.446 17.740 6.989 1.00 0.00 N ATOM 772 CA SER A 61 -4.130 17.718 8.284 1.00 0.00 C ATOM 773 C SER A 61 -5.388 16.858 8.201 1.00 0.00 C ATOM 774 O SER A 61 -6.505 17.358 8.333 1.00 0.00 O ATOM 775 CB SER A 61 -4.506 19.133 8.742 1.00 0.00 C ATOM 776 OG SER A 61 -3.495 19.688 9.566 1.00 0.00 O ATOM 0 H SER A 61 -3.646 16.931 6.401 1.00 0.00 H new ATOM 0 HA SER A 61 -3.443 17.291 9.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.661 19.771 7.872 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.449 19.103 9.288 1.00 0.00 H new ATOM 0 HG SER A 61 -2.726 19.941 9.014 1.00 0.00 H new ATOM 782 N SER A 62 -5.198 15.564 7.971 1.00 0.00 N ATOM 783 CA SER A 62 -6.316 14.632 7.859 1.00 0.00 C ATOM 784 C SER A 62 -7.104 14.885 6.577 1.00 0.00 C ATOM 785 O SER A 62 -7.763 15.914 6.433 1.00 0.00 O ATOM 786 CB SER A 62 -7.238 14.749 9.078 1.00 0.00 C ATOM 787 OG SER A 62 -8.260 15.707 8.863 1.00 0.00 O ATOM 0 H SER A 62 -4.280 15.135 7.858 1.00 0.00 H new ATOM 0 HA SER A 62 -5.912 13.620 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.686 13.779 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.652 15.030 9.953 1.00 0.00 H new ATOM 0 HG SER A 62 -7.969 16.349 8.182 1.00 0.00 H new ATOM 793 N LYS A 63 -7.030 13.936 5.650 1.00 0.00 N ATOM 794 CA LYS A 63 -7.734 14.048 4.376 1.00 0.00 C ATOM 795 C LYS A 63 -8.650 12.849 4.165 1.00 0.00 C ATOM 796 O LYS A 63 -8.579 11.874 4.912 1.00 0.00 O ATOM 797 CB LYS A 63 -6.733 14.161 3.224 1.00 0.00 C ATOM 798 CG LYS A 63 -5.572 13.184 3.316 1.00 0.00 C ATOM 799 CD LYS A 63 -4.231 13.894 3.209 1.00 0.00 C ATOM 800 CE LYS A 63 -4.095 14.642 1.892 1.00 0.00 C ATOM 801 NZ LYS A 63 -3.826 16.091 2.103 1.00 0.00 N ATOM 0 H LYS A 63 -6.488 13.078 5.757 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.345 14.950 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.258 13.998 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.339 15.177 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.624 12.645 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.656 12.443 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.122 14.593 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.425 13.166 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.286 14.204 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.009 14.523 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.007 16.610 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.450 16.454 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.834 16.222 2.385 1.00 0.00 H new ATOM 815 N VAL A 64 -9.516 12.918 3.154 1.00 0.00 N ATOM 816 CA VAL A 64 -10.439 11.822 2.878 1.00 0.00 C ATOM 817 C VAL A 64 -10.077 11.111 1.579 1.00 0.00 C ATOM 818 O VAL A 64 -10.354 11.610 0.492 1.00 0.00 O ATOM 819 CB VAL A 64 -11.893 12.325 2.791 1.00 0.00 C ATOM 820 CG1 VAL A 64 -12.858 11.156 2.665 1.00 0.00 C ATOM 821 CG2 VAL A 64 -12.234 13.177 4.004 1.00 0.00 C ATOM 0 H VAL A 64 -9.596 13.713 2.520 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.354 11.118 3.706 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.991 12.944 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.879 11.532 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.627 10.589 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.761 10.508 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.264 13.524 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.118 12.583 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.564 14.036 4.045 1.00 0.00 H new ATOM 831 N ASN A 65 -9.455 9.941 1.701 1.00 0.00 N ATOM 832 CA ASN A 65 -9.054 9.166 0.531 1.00 0.00 C ATOM 833 C ASN A 65 -9.560 7.729 0.622 1.00 0.00 C ATOM 834 O ASN A 65 -9.703 7.179 1.714 1.00 0.00 O ATOM 835 CB ASN A 65 -7.531 9.172 0.391 1.00 0.00 C ATOM 836 CG ASN A 65 -7.025 10.345 -0.424 1.00 0.00 C ATOM 837 OD1 ASN A 65 -6.433 10.167 -1.488 1.00 0.00 O ATOM 838 ND2 ASN A 65 -7.251 11.554 0.076 1.00 0.00 N ATOM 0 H ASN A 65 -9.219 9.510 2.595 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.499 9.631 -0.349 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.079 9.201 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.209 8.242 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.929 12.382 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.746 11.655 0.962 1.00 0.00 H new ATOM 845 N THR A 66 -9.821 7.125 -0.534 1.00 0.00 N ATOM 846 CA THR A 66 -10.302 5.749 -0.584 1.00 0.00 C ATOM 847 C THR A 66 -9.172 4.796 -0.951 1.00 0.00 C ATOM 848 O THR A 66 -8.684 4.803 -2.081 1.00 0.00 O ATOM 849 CB THR A 66 -11.442 5.611 -1.596 1.00 0.00 C ATOM 850 OG1 THR A 66 -11.998 6.875 -1.903 1.00 0.00 O ATOM 851 CG2 THR A 66 -12.566 4.719 -1.114 1.00 0.00 C ATOM 0 H THR A 66 -9.708 7.566 -1.447 1.00 0.00 H new ATOM 0 HA THR A 66 -10.675 5.489 0.407 1.00 0.00 H new ATOM 0 HB THR A 66 -10.990 5.155 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.724 6.764 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.341 4.665 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.179 3.719 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.989 5.130 -0.197 1.00 0.00 H new ATOM 859 N LEU A 67 -8.763 3.977 0.009 1.00 0.00 N ATOM 860 CA LEU A 67 -7.691 3.018 -0.218 1.00 0.00 C ATOM 861 C LEU A 67 -8.198 1.816 -1.008 1.00 0.00 C ATOM 862 O LEU A 67 -9.146 1.145 -0.597 1.00 0.00 O ATOM 863 CB LEU A 67 -7.110 2.550 1.116 1.00 0.00 C ATOM 864 CG LEU A 67 -5.598 2.700 1.257 1.00 0.00 C ATOM 865 CD1 LEU A 67 -4.880 1.722 0.337 1.00 0.00 C ATOM 866 CD2 LEU A 67 -5.177 4.130 0.964 1.00 0.00 C ATOM 0 H LEU A 67 -9.156 3.958 0.950 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.911 3.512 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.590 3.109 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.369 1.501 1.258 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.318 2.468 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.802 1.841 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.161 0.702 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.161 1.922 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.096 4.220 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.466 4.393 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.667 4.805 1.666 1.00 0.00 H new ATOM 878 N VAL A 68 -7.560 1.543 -2.140 1.00 0.00 N ATOM 879 CA VAL A 68 -7.944 0.416 -2.978 1.00 0.00 C ATOM 880 C VAL A 68 -7.009 -0.763 -2.742 1.00 0.00 C ATOM 881 O VAL A 68 -5.926 -0.830 -3.315 1.00 0.00 O ATOM 882 CB VAL A 68 -7.913 0.804 -4.470 1.00 0.00 C ATOM 883 CG1 VAL A 68 -8.448 -0.323 -5.339 1.00 0.00 C ATOM 884 CG2 VAL A 68 -8.703 2.081 -4.701 1.00 0.00 C ATOM 0 H VAL A 68 -6.775 2.087 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.961 0.131 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.876 0.981 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.415 -0.022 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.836 -1.214 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.478 -0.542 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.672 2.342 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.738 1.929 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.267 2.890 -4.115 1.00 0.00 H new ATOM 894 N MET A 69 -7.427 -1.690 -1.884 1.00 0.00 N ATOM 895 CA MET A 69 -6.609 -2.857 -1.572 1.00 0.00 C ATOM 896 C MET A 69 -7.456 -4.126 -1.501 1.00 0.00 C ATOM 897 O MET A 69 -8.548 -4.125 -0.934 1.00 0.00 O ATOM 898 CB MET A 69 -5.875 -2.649 -0.243 1.00 0.00 C ATOM 899 CG MET A 69 -4.976 -1.419 -0.220 1.00 0.00 C ATOM 900 SD MET A 69 -3.237 -1.822 -0.477 1.00 0.00 S ATOM 901 CE MET A 69 -2.435 -0.311 0.050 1.00 0.00 C ATOM 0 H MET A 69 -8.322 -1.656 -1.395 1.00 0.00 H new ATOM 0 HA MET A 69 -5.880 -2.977 -2.374 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.610 -2.565 0.557 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.272 -3.532 -0.030 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.301 -0.722 -0.993 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.089 -0.909 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.382 -0.509 0.252 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.519 0.439 -0.737 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.915 0.059 0.956 1.00 0.00 H new ATOM 911 N ASP A 70 -6.938 -5.208 -2.078 1.00 0.00 N ATOM 912 CA ASP A 70 -7.637 -6.489 -2.081 1.00 0.00 C ATOM 913 C ASP A 70 -9.022 -6.353 -2.705 1.00 0.00 C ATOM 914 O ASP A 70 -9.974 -7.004 -2.274 1.00 0.00 O ATOM 915 CB ASP A 70 -7.760 -7.029 -0.655 1.00 0.00 C ATOM 916 CG ASP A 70 -8.331 -8.432 -0.614 1.00 0.00 C ATOM 917 OD1 ASP A 70 -7.867 -9.285 -1.399 1.00 0.00 O ATOM 918 OD2 ASP A 70 -9.243 -8.680 0.204 1.00 0.00 O ATOM 0 H ASP A 70 -6.034 -5.222 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.056 -7.190 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.778 -7.026 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.396 -6.364 -0.071 1.00 0.00 H new ATOM 923 N GLY A 71 -9.128 -5.501 -3.718 1.00 0.00 N ATOM 924 CA GLY A 71 -10.402 -5.295 -4.378 1.00 0.00 C ATOM 925 C GLY A 71 -11.433 -4.670 -3.456 1.00 0.00 C ATOM 926 O GLY A 71 -12.628 -4.689 -3.749 1.00 0.00 O ATOM 0 H GLY A 71 -8.356 -4.950 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.259 -4.653 -5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.777 -6.250 -4.745 1.00 0.00 H new ATOM 930 N THR A 72 -10.968 -4.119 -2.339 1.00 0.00 N ATOM 931 CA THR A 72 -11.855 -3.488 -1.371 1.00 0.00 C ATOM 932 C THR A 72 -11.728 -1.973 -1.426 1.00 0.00 C ATOM 933 O THR A 72 -10.657 -1.437 -1.711 1.00 0.00 O ATOM 934 CB THR A 72 -11.538 -3.978 0.042 1.00 0.00 C ATOM 935 OG1 THR A 72 -11.442 -5.391 0.076 1.00 0.00 O ATOM 936 CG2 THR A 72 -12.571 -3.561 1.066 1.00 0.00 C ATOM 0 H THR A 72 -9.981 -4.097 -2.083 1.00 0.00 H new ATOM 0 HA THR A 72 -12.878 -3.763 -1.625 1.00 0.00 H new ATOM 0 HB THR A 72 -10.586 -3.514 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.237 -5.683 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.285 -3.941 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.630 -2.473 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.543 -3.968 0.788 1.00 0.00 H new ATOM 944 N ALA A 73 -12.827 -1.291 -1.142 1.00 0.00 N ATOM 945 CA ALA A 73 -12.845 0.160 -1.148 1.00 0.00 C ATOM 946 C ALA A 73 -12.904 0.698 0.276 1.00 0.00 C ATOM 947 O ALA A 73 -13.946 1.168 0.732 1.00 0.00 O ATOM 948 CB ALA A 73 -14.024 0.665 -1.965 1.00 0.00 C ATOM 0 H ALA A 73 -13.720 -1.723 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.925 0.521 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.028 1.755 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.937 0.304 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.953 0.298 -1.529 1.00 0.00 H new ATOM 954 N LEU A 74 -11.778 0.621 0.981 1.00 0.00 N ATOM 955 CA LEU A 74 -11.714 1.095 2.353 1.00 0.00 C ATOM 956 C LEU A 74 -11.573 2.612 2.389 1.00 0.00 C ATOM 957 O LEU A 74 -10.556 3.168 1.976 1.00 0.00 O ATOM 958 CB LEU A 74 -10.559 0.423 3.109 1.00 0.00 C ATOM 959 CG LEU A 74 -9.163 1.004 2.851 1.00 0.00 C ATOM 960 CD1 LEU A 74 -8.805 2.025 3.920 1.00 0.00 C ATOM 961 CD2 LEU A 74 -8.112 -0.100 2.802 1.00 0.00 C ATOM 0 H LEU A 74 -10.904 0.236 0.623 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.645 0.826 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.765 0.484 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.545 -0.635 2.847 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.180 1.502 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.811 2.427 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.533 2.836 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.813 1.545 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.131 0.339 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.099 -0.632 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.354 -0.797 2.000 1.00 0.00 H new ATOM 973 N SER A 75 -12.614 3.273 2.876 1.00 0.00 N ATOM 974 CA SER A 75 -12.628 4.725 2.962 1.00 0.00 C ATOM 975 C SER A 75 -12.220 5.195 4.351 1.00 0.00 C ATOM 976 O SER A 75 -12.989 5.082 5.306 1.00 0.00 O ATOM 977 CB SER A 75 -14.018 5.251 2.619 1.00 0.00 C ATOM 978 OG SER A 75 -14.140 6.627 2.941 1.00 0.00 O ATOM 0 H SER A 75 -13.463 2.823 3.219 1.00 0.00 H new ATOM 0 HA SER A 75 -11.906 5.118 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.213 5.105 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.770 4.680 3.163 1.00 0.00 H new ATOM 0 HG SER A 75 -13.475 7.141 2.437 1.00 0.00 H new ATOM 984 N TYR A 76 -11.007 5.722 4.458 1.00 0.00 N ATOM 985 CA TYR A 76 -10.499 6.211 5.731 1.00 0.00 C ATOM 986 C TYR A 76 -9.870 7.591 5.567 1.00 0.00 C ATOM 987 O TYR A 76 -9.366 7.932 4.495 1.00 0.00 O ATOM 988 CB TYR A 76 -9.491 5.215 6.319 1.00 0.00 C ATOM 989 CG TYR A 76 -8.066 5.411 5.847 1.00 0.00 C ATOM 990 CD1 TYR A 76 -7.658 4.955 4.601 1.00 0.00 C ATOM 991 CD2 TYR A 76 -7.130 6.047 6.652 1.00 0.00 C ATOM 992 CE1 TYR A 76 -6.358 5.127 4.170 1.00 0.00 C ATOM 993 CE2 TYR A 76 -5.827 6.224 6.228 1.00 0.00 C ATOM 994 CZ TYR A 76 -5.445 5.762 4.987 1.00 0.00 C ATOM 995 OH TYR A 76 -4.149 5.936 4.560 1.00 0.00 O ATOM 0 H TYR A 76 -10.357 5.821 3.678 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.334 6.304 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.514 5.293 7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.809 4.204 6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.369 4.458 3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.426 6.409 7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.057 4.766 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.112 6.722 6.866 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.109 6.691 3.936 1.00 0.00 H new ATOM 1005 N ALA A 77 -9.908 8.383 6.630 1.00 0.00 N ATOM 1006 CA ALA A 77 -9.345 9.725 6.595 1.00 0.00 C ATOM 1007 C ALA A 77 -7.831 9.685 6.761 1.00 0.00 C ATOM 1008 O ALA A 77 -7.321 9.532 7.871 1.00 0.00 O ATOM 1009 CB ALA A 77 -9.981 10.595 7.669 1.00 0.00 C ATOM 0 H ALA A 77 -10.322 8.120 7.525 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.564 10.162 5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.549 11.595 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.056 10.657 7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.794 10.157 8.650 1.00 0.00 H new ATOM 1015 N PHE A 78 -7.117 9.826 5.648 1.00 0.00 N ATOM 1016 CA PHE A 78 -5.657 9.807 5.658 1.00 0.00 C ATOM 1017 C PHE A 78 -5.104 10.728 6.746 1.00 0.00 C ATOM 1018 O PHE A 78 -5.057 11.947 6.578 1.00 0.00 O ATOM 1019 CB PHE A 78 -5.120 10.234 4.290 1.00 0.00 C ATOM 1020 CG PHE A 78 -4.728 9.085 3.403 1.00 0.00 C ATOM 1021 CD1 PHE A 78 -5.658 8.125 3.040 1.00 0.00 C ATOM 1022 CD2 PHE A 78 -3.431 8.970 2.929 1.00 0.00 C ATOM 1023 CE1 PHE A 78 -5.301 7.072 2.218 1.00 0.00 C ATOM 1024 CE2 PHE A 78 -3.069 7.919 2.108 1.00 0.00 C ATOM 1025 CZ PHE A 78 -4.004 6.970 1.752 1.00 0.00 C ATOM 0 H PHE A 78 -7.528 9.955 4.723 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.330 8.790 5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.879 10.829 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.254 10.879 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.673 8.200 3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.694 9.710 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.035 6.330 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.055 7.841 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.723 6.148 1.110 1.00 0.00 H new ATOM 1035 N ALA A 79 -4.689 10.135 7.862 1.00 0.00 N ATOM 1036 CA ALA A 79 -4.141 10.899 8.979 1.00 0.00 C ATOM 1037 C ALA A 79 -2.947 11.738 8.541 1.00 0.00 C ATOM 1038 O ALA A 79 -2.124 11.288 7.747 1.00 0.00 O ATOM 1039 CB ALA A 79 -3.733 9.966 10.105 1.00 0.00 C ATOM 0 H ALA A 79 -4.722 9.127 8.017 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.919 11.574 9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.326 10.549 10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.604 9.408 10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.976 9.270 9.744 1.00 0.00 H new ATOM 1045 N GLU A 80 -2.857 12.958 9.074 1.00 0.00 N ATOM 1046 CA GLU A 80 -1.759 13.871 8.744 1.00 0.00 C ATOM 1047 C GLU A 80 -0.440 13.118 8.598 1.00 0.00 C ATOM 1048 O GLU A 80 0.123 12.632 9.580 1.00 0.00 O ATOM 1049 CB GLU A 80 -1.625 14.950 9.821 1.00 0.00 C ATOM 1050 CG GLU A 80 -1.118 16.280 9.289 1.00 0.00 C ATOM 1051 CD GLU A 80 0.372 16.463 9.501 1.00 0.00 C ATOM 1052 OE1 GLU A 80 1.096 15.446 9.540 1.00 0.00 O ATOM 1053 OE2 GLU A 80 0.816 17.624 9.628 1.00 0.00 O ATOM 0 H GLU A 80 -3.532 13.338 9.737 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.991 14.342 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.596 15.103 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.946 14.595 10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.341 16.350 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.654 17.092 9.781 1.00 0.00 H new ATOM 1060 N ALA A 81 0.041 13.013 7.364 1.00 0.00 N ATOM 1061 CA ALA A 81 1.284 12.303 7.090 1.00 0.00 C ATOM 1062 C ALA A 81 2.201 13.098 6.170 1.00 0.00 C ATOM 1063 O ALA A 81 1.818 13.473 5.062 1.00 0.00 O ATOM 1064 CB ALA A 81 0.983 10.946 6.476 1.00 0.00 C ATOM 0 H ALA A 81 -0.410 13.410 6.540 1.00 0.00 H new ATOM 0 HA ALA A 81 1.803 12.169 8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.918 10.422 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.380 10.359 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.435 11.082 5.544 1.00 0.00 H new ATOM 1070 N THR A 82 3.424 13.330 6.630 1.00 0.00 N ATOM 1071 CA THR A 82 4.417 14.056 5.847 1.00 0.00 C ATOM 1072 C THR A 82 5.651 13.186 5.654 1.00 0.00 C ATOM 1073 O THR A 82 6.112 12.983 4.533 1.00 0.00 O ATOM 1074 CB THR A 82 4.788 15.380 6.522 1.00 0.00 C ATOM 1075 OG1 THR A 82 6.104 15.777 6.175 1.00 0.00 O ATOM 1076 CG2 THR A 82 4.707 15.337 8.035 1.00 0.00 C ATOM 0 H THR A 82 3.753 13.024 7.546 1.00 0.00 H new ATOM 0 HA THR A 82 3.991 14.291 4.872 1.00 0.00 H new ATOM 0 HB THR A 82 4.050 16.095 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.317 16.625 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.984 16.310 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.689 15.093 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.390 14.577 8.415 1.00 0.00 H new ATOM 1084 N VAL A 83 6.165 12.657 6.757 1.00 0.00 N ATOM 1085 CA VAL A 83 7.301 11.803 6.743 1.00 0.00 C ATOM 1086 C VAL A 83 6.874 10.393 6.338 1.00 0.00 C ATOM 1087 O VAL A 83 5.689 10.071 6.378 1.00 0.00 O ATOM 1088 CB VAL A 83 7.953 11.803 8.136 1.00 0.00 C ATOM 1089 CG1 VAL A 83 7.388 12.889 9.044 1.00 0.00 C ATOM 1090 CG2 VAL A 83 7.831 10.449 8.788 1.00 0.00 C ATOM 0 H VAL A 83 5.785 12.823 7.689 1.00 0.00 H new ATOM 0 HA VAL A 83 8.031 12.162 6.018 1.00 0.00 H new ATOM 0 HB VAL A 83 9.009 12.027 7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.882 12.845 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.560 13.866 8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.317 12.733 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.300 10.475 9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.778 10.190 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.327 9.701 8.169 1.00 0.00 H new ATOM 1100 N PRO A 84 7.823 9.532 5.936 1.00 0.00 N ATOM 1101 CA PRO A 84 7.514 8.159 5.525 1.00 0.00 C ATOM 1102 C PRO A 84 6.549 7.459 6.484 1.00 0.00 C ATOM 1103 O PRO A 84 6.974 6.764 7.406 1.00 0.00 O ATOM 1104 CB PRO A 84 8.881 7.479 5.545 1.00 0.00 C ATOM 1105 CG PRO A 84 9.849 8.573 5.247 1.00 0.00 C ATOM 1106 CD PRO A 84 9.267 9.827 5.844 1.00 0.00 C ATOM 0 HA PRO A 84 7.014 8.124 4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.083 7.024 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.939 6.684 4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.826 8.355 5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.991 8.684 4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.695 10.041 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.459 10.697 5.215 1.00 0.00 H new ATOM 1114 N VAL A 85 5.250 7.648 6.257 1.00 0.00 N ATOM 1115 CA VAL A 85 4.228 7.033 7.100 1.00 0.00 C ATOM 1116 C VAL A 85 3.605 5.829 6.402 1.00 0.00 C ATOM 1117 O VAL A 85 3.075 5.948 5.298 1.00 0.00 O ATOM 1118 CB VAL A 85 3.112 8.037 7.462 1.00 0.00 C ATOM 1119 CG1 VAL A 85 2.105 7.403 8.413 1.00 0.00 C ATOM 1120 CG2 VAL A 85 3.703 9.302 8.067 1.00 0.00 C ATOM 0 H VAL A 85 4.882 8.221 5.498 1.00 0.00 H new ATOM 0 HA VAL A 85 4.722 6.711 8.017 1.00 0.00 H new ATOM 0 HB VAL A 85 2.588 8.310 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.327 8.127 8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.654 6.532 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.612 7.095 9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.900 9.996 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.256 9.049 8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.377 9.768 7.348 1.00 0.00 H new ATOM 1130 N THR A 86 3.678 4.670 7.048 1.00 0.00 N ATOM 1131 CA THR A 86 3.129 3.445 6.479 1.00 0.00 C ATOM 1132 C THR A 86 1.808 3.061 7.143 1.00 0.00 C ATOM 1133 O THR A 86 1.792 2.476 8.226 1.00 0.00 O ATOM 1134 CB THR A 86 4.136 2.298 6.616 1.00 0.00 C ATOM 1135 OG1 THR A 86 5.326 2.744 7.241 1.00 0.00 O ATOM 1136 CG2 THR A 86 4.519 1.678 5.291 1.00 0.00 C ATOM 0 H THR A 86 4.111 4.553 7.964 1.00 0.00 H new ATOM 0 HA THR A 86 2.934 3.629 5.423 1.00 0.00 H new ATOM 0 HB THR A 86 3.632 1.544 7.221 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.954 1.996 7.320 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.234 0.873 5.459 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.629 1.277 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.970 2.436 4.651 1.00 0.00 H new ATOM 1144 N TYR A 87 0.703 3.377 6.475 1.00 0.00 N ATOM 1145 CA TYR A 87 -0.623 3.049 6.986 1.00 0.00 C ATOM 1146 C TYR A 87 -0.816 1.534 6.982 1.00 0.00 C ATOM 1147 O TYR A 87 -1.092 0.939 5.940 1.00 0.00 O ATOM 1148 CB TYR A 87 -1.696 3.742 6.133 1.00 0.00 C ATOM 1149 CG TYR A 87 -3.042 3.047 6.126 1.00 0.00 C ATOM 1150 CD1 TYR A 87 -3.913 3.166 7.201 1.00 0.00 C ATOM 1151 CD2 TYR A 87 -3.439 2.276 5.041 1.00 0.00 C ATOM 1152 CE1 TYR A 87 -5.143 2.535 7.196 1.00 0.00 C ATOM 1153 CE2 TYR A 87 -4.667 1.643 5.026 1.00 0.00 C ATOM 1154 CZ TYR A 87 -5.516 1.776 6.106 1.00 0.00 C ATOM 1155 OH TYR A 87 -6.739 1.147 6.097 1.00 0.00 O ATOM 0 H TYR A 87 0.700 3.861 5.577 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.718 3.406 8.012 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.830 4.760 6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.334 3.816 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.625 3.761 8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.777 2.170 4.195 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.808 2.636 8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.961 1.048 4.174 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.847 0.654 5.257 1.00 0.00 H new ATOM 1165 N VAL A 88 -0.646 0.914 8.146 1.00 0.00 N ATOM 1166 CA VAL A 88 -0.774 -0.534 8.263 1.00 0.00 C ATOM 1167 C VAL A 88 -2.229 -0.985 8.337 1.00 0.00 C ATOM 1168 O VAL A 88 -2.954 -0.637 9.267 1.00 0.00 O ATOM 1169 CB VAL A 88 -0.035 -1.069 9.505 1.00 0.00 C ATOM 1170 CG1 VAL A 88 0.000 -2.592 9.490 1.00 0.00 C ATOM 1171 CG2 VAL A 88 1.371 -0.496 9.578 1.00 0.00 C ATOM 0 H VAL A 88 -0.420 1.390 9.019 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.322 -0.943 7.359 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.578 -0.750 10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.526 -2.953 10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.019 -2.979 9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.518 -2.935 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.877 -0.885 10.461 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.927 -0.782 8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.318 0.591 9.640 1.00 0.00 H new ATOM 1181 N GLN A 89 -2.635 -1.791 7.360 1.00 0.00 N ATOM 1182 CA GLN A 89 -3.986 -2.331 7.320 1.00 0.00 C ATOM 1183 C GLN A 89 -3.913 -3.832 7.078 1.00 0.00 C ATOM 1184 O GLN A 89 -3.502 -4.275 6.009 1.00 0.00 O ATOM 1185 CB GLN A 89 -4.804 -1.653 6.218 1.00 0.00 C ATOM 1186 CG GLN A 89 -6.193 -2.243 6.035 1.00 0.00 C ATOM 1187 CD GLN A 89 -7.155 -1.822 7.128 1.00 0.00 C ATOM 1188 OE1 GLN A 89 -6.751 -1.568 8.263 1.00 0.00 O ATOM 1189 NE2 GLN A 89 -8.438 -1.746 6.791 1.00 0.00 N ATOM 0 H GLN A 89 -2.043 -2.084 6.583 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.480 -2.138 8.272 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.898 -0.592 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.260 -1.728 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.590 -1.934 5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.122 -3.331 6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.729 -1.965 5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.132 -1.468 7.485 1.00 0.00 H new ATOM 1198 N THR A 90 -4.294 -4.614 8.079 1.00 0.00 N ATOM 1199 CA THR A 90 -4.239 -6.064 7.966 1.00 0.00 C ATOM 1200 C THR A 90 -5.427 -6.609 7.186 1.00 0.00 C ATOM 1201 O THR A 90 -6.579 -6.454 7.591 1.00 0.00 O ATOM 1202 CB THR A 90 -4.177 -6.703 9.354 1.00 0.00 C ATOM 1203 OG1 THR A 90 -5.007 -6.006 10.266 1.00 0.00 O ATOM 1204 CG2 THR A 90 -2.778 -6.733 9.934 1.00 0.00 C ATOM 0 H THR A 90 -4.643 -4.270 8.974 1.00 0.00 H new ATOM 0 HA THR A 90 -3.334 -6.320 7.416 1.00 0.00 H new ATOM 0 HB THR A 90 -4.519 -7.729 9.217 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.954 -6.432 11.147 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.803 -7.198 10.919 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.124 -7.307 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.399 -5.715 10.023 1.00 0.00 H new ATOM 1212 N LYS A 91 -5.130 -7.255 6.063 1.00 0.00 N ATOM 1213 CA LYS A 91 -6.160 -7.838 5.216 1.00 0.00 C ATOM 1214 C LYS A 91 -5.748 -9.231 4.761 1.00 0.00 C ATOM 1215 O LYS A 91 -4.730 -9.400 4.087 1.00 0.00 O ATOM 1216 CB LYS A 91 -6.419 -6.945 4.000 1.00 0.00 C ATOM 1217 CG LYS A 91 -6.540 -5.470 4.341 1.00 0.00 C ATOM 1218 CD LYS A 91 -7.533 -4.768 3.428 1.00 0.00 C ATOM 1219 CE LYS A 91 -8.963 -5.181 3.739 1.00 0.00 C ATOM 1220 NZ LYS A 91 -9.341 -4.870 5.145 1.00 0.00 N ATOM 0 H LYS A 91 -4.179 -7.387 5.719 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.079 -7.916 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.609 -7.078 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.336 -7.272 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.857 -5.360 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.564 -4.994 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.432 -3.689 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.303 -5.003 2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.644 -4.669 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.078 -6.250 3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.377 -4.843 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.962 -5.604 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.948 -3.945 5.414 1.00 0.00 H new ATOM 1234 N THR A 92 -6.537 -10.230 5.134 1.00 0.00 N ATOM 1235 CA THR A 92 -6.245 -11.602 4.763 1.00 0.00 C ATOM 1236 C THR A 92 -6.399 -11.792 3.259 1.00 0.00 C ATOM 1237 O THR A 92 -7.508 -11.737 2.727 1.00 0.00 O ATOM 1238 CB THR A 92 -7.170 -12.554 5.518 1.00 0.00 C ATOM 1239 OG1 THR A 92 -7.536 -12.007 6.772 1.00 0.00 O ATOM 1240 CG2 THR A 92 -6.548 -13.907 5.773 1.00 0.00 C ATOM 0 H THR A 92 -7.382 -10.113 5.693 1.00 0.00 H new ATOM 0 HA THR A 92 -5.213 -11.826 5.032 1.00 0.00 H new ATOM 0 HB THR A 92 -8.041 -12.685 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.362 -11.489 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.255 -14.537 6.313 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.296 -14.377 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.643 -13.785 6.368 1.00 0.00 H new ATOM 1248 N LEU A 93 -5.278 -12.007 2.577 1.00 0.00 N ATOM 1249 CA LEU A 93 -5.293 -12.192 1.131 1.00 0.00 C ATOM 1250 C LEU A 93 -5.469 -13.658 0.761 1.00 0.00 C ATOM 1251 O LEU A 93 -5.016 -14.552 1.477 1.00 0.00 O ATOM 1252 CB LEU A 93 -3.999 -11.650 0.505 1.00 0.00 C ATOM 1253 CG LEU A 93 -4.008 -10.163 0.116 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -3.059 -9.912 -1.049 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -5.414 -9.700 -0.239 1.00 0.00 C ATOM 0 H LEU A 93 -4.352 -12.057 3.001 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.143 -11.635 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.182 -11.816 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.777 -12.237 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.667 -9.587 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.077 -8.854 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.047 -10.197 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.373 -10.505 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.392 -8.645 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.787 -10.283 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.071 -9.840 0.619 1.00 0.00 H new ATOM 1267 N SER A 94 -6.129 -13.896 -0.369 1.00 0.00 N ATOM 1268 CA SER A 94 -6.364 -15.245 -0.843 1.00 0.00 C ATOM 1269 C SER A 94 -5.617 -15.502 -2.147 1.00 0.00 C ATOM 1270 O SER A 94 -5.182 -14.567 -2.817 1.00 0.00 O ATOM 1271 CB SER A 94 -7.860 -15.495 -1.040 1.00 0.00 C ATOM 1272 OG SER A 94 -8.528 -14.309 -1.434 1.00 0.00 O ATOM 0 H SER A 94 -6.509 -13.166 -0.971 1.00 0.00 H new ATOM 0 HA SER A 94 -5.989 -15.934 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.006 -16.267 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.294 -15.870 -0.113 1.00 0.00 H new ATOM 0 HG SER A 94 -9.482 -14.496 -1.555 1.00 0.00 H new ATOM 1278 N ALA A 95 -5.471 -16.775 -2.496 1.00 0.00 N ATOM 1279 CA ALA A 95 -4.775 -17.161 -3.719 1.00 0.00 C ATOM 1280 C ALA A 95 -5.592 -16.808 -4.958 1.00 0.00 C ATOM 1281 O ALA A 95 -6.822 -16.794 -4.919 1.00 0.00 O ATOM 1282 CB ALA A 95 -4.467 -18.650 -3.695 1.00 0.00 C ATOM 0 H ALA A 95 -5.826 -17.559 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.840 -16.603 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.948 -18.929 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.835 -18.877 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.397 -19.213 -3.620 1.00 0.00 H new ATOM 1288 N GLY A 96 -4.898 -16.526 -6.059 1.00 0.00 N ATOM 1289 CA GLY A 96 -5.575 -16.179 -7.297 1.00 0.00 C ATOM 1290 C GLY A 96 -5.084 -14.868 -7.881 1.00 0.00 C ATOM 1291 O GLY A 96 -3.888 -14.696 -8.120 1.00 0.00 O ATOM 0 H GLY A 96 -3.880 -16.532 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.425 -16.976 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.648 -16.112 -7.114 1.00 0.00 H new ATOM 1295 N ASN A 97 -6.009 -13.941 -8.109 1.00 0.00 N ATOM 1296 CA ASN A 97 -5.668 -12.636 -8.665 1.00 0.00 C ATOM 1297 C ASN A 97 -6.341 -11.524 -7.868 1.00 0.00 C ATOM 1298 O ASN A 97 -7.498 -11.650 -7.466 1.00 0.00 O ATOM 1299 CB ASN A 97 -6.083 -12.554 -10.136 1.00 0.00 C ATOM 1300 CG ASN A 97 -5.041 -11.863 -10.994 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -4.491 -12.457 -11.922 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -4.761 -10.599 -10.688 1.00 0.00 N ATOM 0 H ASN A 97 -7.002 -14.070 -7.917 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.587 -12.509 -8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.255 -13.560 -10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.028 -12.017 -10.214 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.067 -10.085 -11.231 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.240 -10.144 -9.911 1.00 0.00 H new ATOM 1309 N HIS A 98 -5.610 -10.440 -7.635 1.00 0.00 N ATOM 1310 CA HIS A 98 -6.139 -9.313 -6.876 1.00 0.00 C ATOM 1311 C HIS A 98 -5.781 -7.986 -7.532 1.00 0.00 C ATOM 1312 O HIS A 98 -4.962 -7.934 -8.451 1.00 0.00 O ATOM 1313 CB HIS A 98 -5.599 -9.338 -5.448 1.00 0.00 C ATOM 1314 CG HIS A 98 -6.332 -10.275 -4.542 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -7.389 -11.057 -4.954 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -6.152 -10.549 -3.232 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -7.828 -11.773 -3.932 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -7.094 -11.483 -2.876 1.00 0.00 N ATOM 0 H HIS A 98 -4.651 -10.318 -7.960 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.225 -9.407 -6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.546 -9.620 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -5.650 -8.332 -5.033 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -7.773 -11.080 -5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.405 -10.114 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.648 -12.475 -3.958 1.00 0.00 H new ATOM 1327 N SER A 99 -6.397 -6.912 -7.047 1.00 0.00 N ATOM 1328 CA SER A 99 -6.142 -5.580 -7.578 1.00 0.00 C ATOM 1329 C SER A 99 -5.929 -4.575 -6.447 1.00 0.00 C ATOM 1330 O SER A 99 -6.879 -4.154 -5.788 1.00 0.00 O ATOM 1331 CB SER A 99 -7.306 -5.131 -8.465 1.00 0.00 C ATOM 1332 OG SER A 99 -8.463 -5.912 -8.226 1.00 0.00 O ATOM 0 H SER A 99 -7.076 -6.940 -6.287 1.00 0.00 H new ATOM 0 HA SER A 99 -5.233 -5.622 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.527 -4.081 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.020 -5.212 -9.514 1.00 0.00 H new ATOM 0 HG SER A 99 -9.191 -5.603 -8.804 1.00 0.00 H new ATOM 1338 N PHE A 100 -4.673 -4.194 -6.236 1.00 0.00 N ATOM 1339 CA PHE A 100 -4.322 -3.234 -5.194 1.00 0.00 C ATOM 1340 C PHE A 100 -4.191 -1.836 -5.790 1.00 0.00 C ATOM 1341 O PHE A 100 -4.230 -1.677 -7.010 1.00 0.00 O ATOM 1342 CB PHE A 100 -3.012 -3.647 -4.521 1.00 0.00 C ATOM 1343 CG PHE A 100 -3.180 -4.737 -3.500 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -3.728 -4.458 -2.264 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -2.786 -6.037 -3.776 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -3.885 -5.449 -1.316 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -2.937 -7.036 -2.832 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.487 -6.740 -1.599 1.00 0.00 C ATOM 0 H PHE A 100 -3.878 -4.537 -6.775 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.113 -3.221 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.310 -3.981 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.569 -2.775 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.039 -3.449 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.356 -6.272 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.318 -5.215 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.626 -8.045 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.605 -7.517 -0.859 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.038 -0.819 -4.940 1.00 0.00 N ATOM 1359 CA GLY A 101 -3.910 0.529 -5.451 1.00 0.00 C ATOM 1360 C GLY A 101 -4.419 1.588 -4.495 1.00 0.00 C ATOM 1361 O GLY A 101 -4.574 1.345 -3.298 1.00 0.00 O ATOM 0 H GLY A 101 -4.001 -0.906 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.862 0.726 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.457 0.606 -6.391 1.00 0.00 H new ATOM 1365 N VAL A 102 -4.679 2.767 -5.043 1.00 0.00 N ATOM 1366 CA VAL A 102 -5.176 3.897 -4.265 1.00 0.00 C ATOM 1367 C VAL A 102 -6.006 4.809 -5.161 1.00 0.00 C ATOM 1368 O VAL A 102 -5.545 5.224 -6.218 1.00 0.00 O ATOM 1369 CB VAL A 102 -4.019 4.715 -3.633 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -4.359 5.114 -2.214 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -2.715 3.935 -3.639 1.00 0.00 C ATOM 0 H VAL A 102 -4.553 2.968 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.790 3.499 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.890 5.611 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.534 5.687 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.262 5.724 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.526 4.219 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.927 4.539 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.838 3.015 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.442 3.690 -4.666 1.00 0.00 H new ATOM 1381 N ARG A 103 -7.237 5.108 -4.757 1.00 0.00 N ATOM 1382 CA ARG A 103 -8.103 5.957 -5.572 1.00 0.00 C ATOM 1383 C ARG A 103 -8.687 7.120 -4.775 1.00 0.00 C ATOM 1384 O ARG A 103 -8.684 7.115 -3.543 1.00 0.00 O ATOM 1385 CB ARG A 103 -9.217 5.113 -6.216 1.00 0.00 C ATOM 1386 CG ARG A 103 -10.597 5.288 -5.592 1.00 0.00 C ATOM 1387 CD ARG A 103 -11.357 6.439 -6.234 1.00 0.00 C ATOM 1388 NE ARG A 103 -12.538 5.976 -6.962 1.00 0.00 N ATOM 1389 CZ ARG A 103 -13.194 6.714 -7.857 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -12.792 7.950 -8.130 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -14.254 6.215 -8.480 1.00 0.00 N ATOM 0 H ARG A 103 -7.653 4.782 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.491 6.395 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.278 5.366 -7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.937 4.061 -6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.168 4.366 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.493 5.471 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.661 7.148 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.697 6.974 -6.917 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.879 5.033 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.978 8.338 -7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.297 8.511 -8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.567 5.266 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.756 6.780 -9.165 1.00 0.00 H new ATOM 1405 N VAL A 104 -9.185 8.117 -5.501 1.00 0.00 N ATOM 1406 CA VAL A 104 -9.777 9.302 -4.895 1.00 0.00 C ATOM 1407 C VAL A 104 -11.027 9.726 -5.660 1.00 0.00 C ATOM 1408 O VAL A 104 -11.077 9.615 -6.885 1.00 0.00 O ATOM 1409 CB VAL A 104 -8.774 10.477 -4.840 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -8.312 10.690 -3.422 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -7.587 10.246 -5.775 1.00 0.00 C ATOM 0 H VAL A 104 -9.189 8.125 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 104 -10.051 9.042 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.282 11.378 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.605 11.519 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.170 10.920 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.826 9.785 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.903 11.092 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.066 9.334 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.945 10.147 -6.800 1.00 0.00 H new ATOM 1421 N GLY A 105 -12.041 10.202 -4.938 1.00 0.00 N ATOM 1422 CA GLY A 105 -13.271 10.618 -5.589 1.00 0.00 C ATOM 1423 C GLY A 105 -13.996 11.706 -4.825 1.00 0.00 C ATOM 1424 O GLY A 105 -13.557 12.119 -3.755 1.00 0.00 O ATOM 0 H GLY A 105 -12.032 10.306 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.043 10.975 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.929 9.756 -5.699 1.00 0.00 H new ATOM 1428 N SER A 106 -15.109 12.178 -5.378 1.00 0.00 N ATOM 1429 CA SER A 106 -15.889 13.231 -4.738 1.00 0.00 C ATOM 1430 C SER A 106 -16.153 12.897 -3.271 1.00 0.00 C ATOM 1431 O SER A 106 -16.154 13.780 -2.413 1.00 0.00 O ATOM 1432 CB SER A 106 -17.213 13.436 -5.475 1.00 0.00 C ATOM 1433 OG SER A 106 -17.739 14.730 -5.230 1.00 0.00 O ATOM 0 H SER A 106 -15.490 11.849 -6.265 1.00 0.00 H new ATOM 0 HA SER A 106 -15.312 14.155 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 106 -17.062 13.298 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.932 12.681 -5.155 1.00 0.00 H new ATOM 0 HG SER A 106 -18.585 14.836 -5.714 1.00 0.00 H new ATOM 1439 N SER A 107 -16.364 11.615 -2.990 1.00 0.00 N ATOM 1440 CA SER A 107 -16.619 11.160 -1.627 1.00 0.00 C ATOM 1441 C SER A 107 -15.320 11.108 -0.829 1.00 0.00 C ATOM 1442 O SER A 107 -15.316 11.282 0.390 1.00 0.00 O ATOM 1443 CB SER A 107 -17.280 9.780 -1.642 1.00 0.00 C ATOM 1444 OG SER A 107 -18.315 9.700 -0.678 1.00 0.00 O ATOM 0 H SER A 107 -16.363 10.872 -3.689 1.00 0.00 H new ATOM 0 HA SER A 107 -17.295 11.869 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.686 9.578 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.532 9.013 -1.442 1.00 0.00 H new ATOM 0 HG SER A 107 -18.723 8.809 -0.709 1.00 0.00 H new ATOM 1450 N ASP A 108 -14.217 10.871 -1.532 1.00 0.00 N ATOM 1451 CA ASP A 108 -12.907 10.800 -0.913 1.00 0.00 C ATOM 1452 C ASP A 108 -11.898 11.601 -1.727 1.00 0.00 C ATOM 1453 O ASP A 108 -11.055 11.038 -2.426 1.00 0.00 O ATOM 1454 CB ASP A 108 -12.454 9.345 -0.791 1.00 0.00 C ATOM 1455 CG ASP A 108 -12.920 8.699 0.499 1.00 0.00 C ATOM 1456 OD1 ASP A 108 -13.917 9.180 1.078 1.00 0.00 O ATOM 1457 OD2 ASP A 108 -12.287 7.713 0.931 1.00 0.00 O ATOM 0 H ASP A 108 -14.210 10.724 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.970 11.228 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.838 8.776 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -11.366 9.301 -0.844 1.00 0.00 H new ATOM 1462 N TRP A 109 -12.013 12.921 -1.645 1.00 0.00 N ATOM 1463 CA TRP A 109 -11.138 13.824 -2.383 1.00 0.00 C ATOM 1464 C TRP A 109 -9.665 13.448 -2.239 1.00 0.00 C ATOM 1465 O TRP A 109 -9.265 12.835 -1.251 1.00 0.00 O ATOM 1466 CB TRP A 109 -11.384 15.263 -1.935 1.00 0.00 C ATOM 1467 CG TRP A 109 -10.836 15.598 -0.583 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -11.551 15.851 0.553 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -9.459 15.737 -0.231 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -10.698 16.137 1.591 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -9.408 16.072 1.134 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -8.265 15.607 -0.938 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -8.205 16.281 1.802 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -7.072 15.811 -0.276 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -7.050 16.146 1.082 1.00 0.00 C ATOM 0 H TRP A 109 -12.710 13.393 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 109 -11.379 13.733 -3.442 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -10.943 15.938 -2.668 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -12.458 15.451 -1.934 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -12.628 15.829 0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -10.979 16.361 2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.274 15.351 -1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -8.184 16.540 2.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.141 15.711 -0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.100 16.301 1.573 1.00 0.00 H new ATOM 1486 N GLY A 110 -8.861 13.806 -3.245 1.00 0.00 N ATOM 1487 CA GLY A 110 -7.443 13.477 -3.216 1.00 0.00 C ATOM 1488 C GLY A 110 -6.522 14.676 -3.342 1.00 0.00 C ATOM 1489 O GLY A 110 -6.917 15.736 -3.826 1.00 0.00 O ATOM 0 H GLY A 110 -9.166 14.315 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.221 12.959 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.227 12.781 -4.026 1.00 0.00 H new ATOM 1493 N TYR A 111 -5.282 14.481 -2.902 1.00 0.00 N ATOM 1494 CA TYR A 111 -4.243 15.508 -2.941 1.00 0.00 C ATOM 1495 C TYR A 111 -3.106 15.095 -2.009 1.00 0.00 C ATOM 1496 O TYR A 111 -2.765 15.807 -1.063 1.00 0.00 O ATOM 1497 CB TYR A 111 -4.799 16.881 -2.537 1.00 0.00 C ATOM 1498 CG TYR A 111 -4.771 17.898 -3.657 1.00 0.00 C ATOM 1499 CD1 TYR A 111 -3.569 18.420 -4.117 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -5.947 18.332 -4.255 1.00 0.00 C ATOM 1501 CE1 TYR A 111 -3.541 19.346 -5.142 1.00 0.00 C ATOM 1502 CE2 TYR A 111 -5.927 19.258 -5.280 1.00 0.00 C ATOM 1503 CZ TYR A 111 -4.721 19.763 -5.721 1.00 0.00 C ATOM 1504 OH TYR A 111 -4.697 20.684 -6.742 1.00 0.00 O ATOM 0 H TYR A 111 -4.966 13.597 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 111 -3.871 15.598 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.826 16.761 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.222 17.264 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.642 18.097 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.893 17.939 -3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.598 19.742 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -6.851 19.585 -5.734 1.00 0.00 H new ATOM 0 HH TYR A 111 -5.613 20.868 -7.038 1.00 0.00 H new ATOM 1514 N MET A 112 -2.538 13.921 -2.279 1.00 0.00 N ATOM 1515 CA MET A 112 -1.456 13.383 -1.464 1.00 0.00 C ATOM 1516 C MET A 112 -0.372 12.776 -2.341 1.00 0.00 C ATOM 1517 O MET A 112 -0.406 12.899 -3.566 1.00 0.00 O ATOM 1518 CB MET A 112 -1.998 12.311 -0.511 1.00 0.00 C ATOM 1519 CG MET A 112 -2.548 11.078 -1.224 1.00 0.00 C ATOM 1520 SD MET A 112 -1.441 9.651 -1.123 1.00 0.00 S ATOM 1521 CE MET A 112 -2.476 8.352 -1.809 1.00 0.00 C ATOM 0 H MET A 112 -2.812 13.324 -3.059 1.00 0.00 H new ATOM 0 HA MET A 112 -1.026 14.201 -0.887 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.201 12.003 0.166 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.787 12.747 0.102 1.00 0.00 H new ATOM 0 HG2 MET A 112 -3.512 10.814 -0.790 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.725 11.320 -2.272 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.008 7.383 -1.634 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.454 8.374 -1.329 1.00 0.00 H new ATOM 0 HE3 MET A 112 -2.594 8.509 -2.881 1.00 0.00 H new ATOM 1531 N ASN A 113 0.580 12.104 -1.706 1.00 0.00 N ATOM 1532 CA ASN A 113 1.662 11.461 -2.431 1.00 0.00 C ATOM 1533 C ASN A 113 1.645 9.960 -2.183 1.00 0.00 C ATOM 1534 O ASN A 113 1.567 9.511 -1.040 1.00 0.00 O ATOM 1535 CB ASN A 113 3.011 12.046 -2.007 1.00 0.00 C ATOM 1536 CG ASN A 113 3.165 13.499 -2.415 1.00 0.00 C ATOM 1537 OD1 ASN A 113 2.404 14.009 -3.236 1.00 0.00 O ATOM 1538 ND2 ASN A 113 4.156 14.172 -1.843 1.00 0.00 N ATOM 0 H ASN A 113 0.623 11.992 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 113 1.520 11.644 -3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.117 11.962 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.815 11.459 -2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.310 15.152 -2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.763 13.709 -1.167 1.00 0.00 H new ATOM 1545 N VAL A 114 1.723 9.187 -3.257 1.00 0.00 N ATOM 1546 CA VAL A 114 1.723 7.736 -3.150 1.00 0.00 C ATOM 1547 C VAL A 114 3.126 7.186 -3.358 1.00 0.00 C ATOM 1548 O VAL A 114 3.506 6.829 -4.473 1.00 0.00 O ATOM 1549 CB VAL A 114 0.767 7.083 -4.168 1.00 0.00 C ATOM 1550 CG1 VAL A 114 0.531 5.626 -3.808 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -0.553 7.841 -4.238 1.00 0.00 C ATOM 0 H VAL A 114 1.787 9.541 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 114 1.375 7.491 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 114 1.232 7.127 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.146 5.177 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.480 5.091 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.089 5.564 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.210 7.361 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -1.029 7.835 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.366 8.870 -4.544 1.00 0.00 H new ATOM 1561 N HIS A 115 3.894 7.128 -2.276 1.00 0.00 N ATOM 1562 CA HIS A 115 5.261 6.627 -2.334 1.00 0.00 C ATOM 1563 C HIS A 115 5.303 5.261 -3.003 1.00 0.00 C ATOM 1564 O HIS A 115 6.004 5.065 -3.995 1.00 0.00 O ATOM 1565 CB HIS A 115 5.859 6.543 -0.928 1.00 0.00 C ATOM 1566 CG HIS A 115 7.268 7.042 -0.846 1.00 0.00 C ATOM 1567 ND1 HIS A 115 8.292 6.538 -1.620 1.00 0.00 N ATOM 1568 CD2 HIS A 115 7.823 8.005 -0.072 1.00 0.00 C ATOM 1569 CE1 HIS A 115 9.415 7.168 -1.327 1.00 0.00 C ATOM 1570 NE2 HIS A 115 9.158 8.063 -0.391 1.00 0.00 N ATOM 0 H HIS A 115 3.592 7.422 -1.347 1.00 0.00 H new ATOM 0 HA HIS A 115 5.855 7.323 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.238 7.120 -0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 115 5.829 5.507 -0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 115 7.312 8.613 0.659 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.379 6.983 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 115 9.840 8.695 0.028 1.00 0.00 H new ATOM 1579 N SER A 116 4.543 4.317 -2.456 1.00 0.00 N ATOM 1580 CA SER A 116 4.491 2.972 -3.008 1.00 0.00 C ATOM 1581 C SER A 116 3.635 2.048 -2.149 1.00 0.00 C ATOM 1582 O SER A 116 3.516 2.233 -0.936 1.00 0.00 O ATOM 1583 CB SER A 116 5.903 2.399 -3.138 1.00 0.00 C ATOM 1584 OG SER A 116 6.803 3.062 -2.268 1.00 0.00 O ATOM 0 H SER A 116 3.957 4.460 -1.633 1.00 0.00 H new ATOM 0 HA SER A 116 4.034 3.037 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.889 1.333 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.247 2.499 -4.168 1.00 0.00 H new ATOM 0 HG SER A 116 7.721 2.792 -2.479 1.00 0.00 H new ATOM 1590 N LEU A 117 3.053 1.045 -2.795 1.00 0.00 N ATOM 1591 CA LEU A 117 2.218 0.061 -2.118 1.00 0.00 C ATOM 1592 C LEU A 117 3.084 -1.104 -1.649 1.00 0.00 C ATOM 1593 O LEU A 117 3.788 -1.720 -2.446 1.00 0.00 O ATOM 1594 CB LEU A 117 1.131 -0.432 -3.078 1.00 0.00 C ATOM 1595 CG LEU A 117 -0.266 -0.612 -2.480 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -1.326 -0.352 -3.540 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -0.417 -2.013 -1.883 1.00 0.00 C ATOM 0 H LEU A 117 3.146 0.891 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 117 1.741 0.515 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.061 0.272 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.450 -1.386 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.402 0.111 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.316 -0.483 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.225 0.667 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.197 -1.054 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.416 -2.123 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.267 -2.759 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.325 -2.156 -1.098 1.00 0.00 H new ATOM 1609 N LYS A 118 3.056 -1.387 -0.352 1.00 0.00 N ATOM 1610 CA LYS A 118 3.870 -2.465 0.200 1.00 0.00 C ATOM 1611 C LYS A 118 3.024 -3.496 0.939 1.00 0.00 C ATOM 1612 O LYS A 118 2.109 -3.147 1.685 1.00 0.00 O ATOM 1613 CB LYS A 118 4.927 -1.889 1.146 1.00 0.00 C ATOM 1614 CG LYS A 118 5.895 -2.926 1.688 1.00 0.00 C ATOM 1615 CD LYS A 118 6.660 -2.400 2.891 1.00 0.00 C ATOM 1616 CE LYS A 118 5.830 -2.486 4.161 1.00 0.00 C ATOM 1617 NZ LYS A 118 5.172 -3.814 4.307 1.00 0.00 N ATOM 0 H LYS A 118 2.485 -0.891 0.332 1.00 0.00 H new ATOM 0 HA LYS A 118 4.356 -2.970 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.491 -1.119 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.426 -1.401 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.347 -3.825 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.598 -3.213 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.580 -2.972 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.950 -1.364 2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.468 -2.300 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.071 -1.704 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.908 -3.963 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.319 -3.846 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.830 -4.562 4.008 1.00 0.00 H new ATOM 1631 N LEU A 119 3.355 -4.770 0.741 1.00 0.00 N ATOM 1632 CA LEU A 119 2.644 -5.861 1.403 1.00 0.00 C ATOM 1633 C LEU A 119 3.620 -6.725 2.189 1.00 0.00 C ATOM 1634 O LEU A 119 4.637 -7.170 1.656 1.00 0.00 O ATOM 1635 CB LEU A 119 1.885 -6.728 0.391 1.00 0.00 C ATOM 1636 CG LEU A 119 0.372 -6.475 0.326 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -0.082 -6.255 -1.109 1.00 0.00 C ATOM 1638 CD2 LEU A 119 -0.392 -7.633 0.953 1.00 0.00 C ATOM 0 H LEU A 119 4.111 -5.072 0.127 1.00 0.00 H new ATOM 0 HA LEU A 119 1.919 -5.419 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.309 -6.560 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.053 -7.777 0.636 1.00 0.00 H new ATOM 0 HG LEU A 119 0.157 -5.569 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.157 -6.078 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.435 -5.391 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.150 -7.138 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.462 -7.435 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.165 -8.553 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.097 -7.741 1.997 1.00 0.00 H new ATOM 1650 N GLU A 120 3.303 -6.959 3.455 1.00 0.00 N ATOM 1651 CA GLU A 120 4.147 -7.775 4.316 1.00 0.00 C ATOM 1652 C GLU A 120 3.437 -9.070 4.685 1.00 0.00 C ATOM 1653 O GLU A 120 2.494 -9.065 5.475 1.00 0.00 O ATOM 1654 CB GLU A 120 4.520 -7.003 5.585 1.00 0.00 C ATOM 1655 CG GLU A 120 5.735 -7.565 6.303 1.00 0.00 C ATOM 1656 CD GLU A 120 5.385 -8.187 7.641 1.00 0.00 C ATOM 1657 OE1 GLU A 120 4.212 -8.576 7.826 1.00 0.00 O ATOM 1658 OE2 GLU A 120 6.282 -8.286 8.504 1.00 0.00 O ATOM 0 H GLU A 120 2.466 -6.594 3.909 1.00 0.00 H new ATOM 0 HA GLU A 120 5.059 -8.018 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.712 -5.962 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.670 -7.009 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.211 -8.315 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.463 -6.768 6.456 1.00 0.00 H new ATOM 1665 N LEU A 121 3.893 -10.176 4.104 1.00 0.00 N ATOM 1666 CA LEU A 121 3.297 -11.482 4.371 1.00 0.00 C ATOM 1667 C LEU A 121 3.235 -11.752 5.872 1.00 0.00 C ATOM 1668 O LEU A 121 4.171 -12.298 6.457 1.00 0.00 O ATOM 1669 CB LEU A 121 4.098 -12.584 3.665 1.00 0.00 C ATOM 1670 CG LEU A 121 3.904 -12.691 2.140 1.00 0.00 C ATOM 1671 CD1 LEU A 121 3.167 -13.974 1.783 1.00 0.00 C ATOM 1672 CD2 LEU A 121 3.162 -11.479 1.586 1.00 0.00 C ATOM 0 H LEU A 121 4.672 -10.194 3.446 1.00 0.00 H new ATOM 0 HA LEU A 121 2.279 -11.481 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.157 -12.421 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.833 -13.542 4.113 1.00 0.00 H new ATOM 0 HG LEU A 121 4.893 -12.716 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.039 -14.032 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.744 -14.833 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.189 -13.978 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 121 3.042 -11.587 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.181 -11.408 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.732 -10.575 1.799 1.00 0.00 H new ATOM 1684 N LEU A 122 2.126 -11.351 6.489 1.00 0.00 N ATOM 1685 CA LEU A 122 1.927 -11.532 7.924 1.00 0.00 C ATOM 1686 C LEU A 122 2.311 -12.942 8.363 1.00 0.00 C ATOM 1687 O LEU A 122 2.434 -13.849 7.539 1.00 0.00 O ATOM 1688 CB LEU A 122 0.465 -11.240 8.292 1.00 0.00 C ATOM 1689 CG LEU A 122 0.221 -10.614 9.676 1.00 0.00 C ATOM 1690 CD1 LEU A 122 0.065 -11.697 10.735 1.00 0.00 C ATOM 1691 CD2 LEU A 122 1.344 -9.655 10.054 1.00 0.00 C ATOM 0 H LEU A 122 1.347 -10.896 6.013 1.00 0.00 H new ATOM 0 HA LEU A 122 2.576 -10.830 8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.049 -10.573 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.095 -12.174 8.236 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.706 -10.042 9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.107 -11.234 11.707 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.782 -12.334 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.972 -12.300 10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.143 -9.229 11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.291 -10.195 10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.403 -8.855 9.316 1.00 0.00 H new ATOM 1703 N GLY A 123 2.505 -13.114 9.666 1.00 0.00 N ATOM 1704 CA GLY A 123 2.881 -14.412 10.205 1.00 0.00 C ATOM 1705 C GLY A 123 2.048 -15.555 9.650 1.00 0.00 C ATOM 1706 O GLY A 123 2.498 -16.700 9.623 1.00 0.00 O ATOM 0 H GLY A 123 2.409 -12.375 10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 123 3.933 -14.598 9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.780 -14.391 11.290 1.00 0.00 H new TER 1710 GLY A 123