USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0272 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.95) USER MOD Single : A 13 SER OG : rot 180:sc= -1.24! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= 0 USER MOD Single : A 30 CYS SG : rot -58:sc= -1.87 USER MOD Single : A 31 THR OG1 : rot 157:sc= 0.912 USER MOD Single : A 32 THR OG1 : rot 64:sc= -4.99! USER MOD Single : A 35 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.28) USER MOD Single : A 37 ASN : amide:sc= -3.89! C(o=-3.9!,f=-6.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0553) USER MOD Single : A 47 THR OG1 : rot 156:sc= -1.04! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 166:sc= 0 (180deg=-0.0693) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -4.89! C(o=-12!,f=-4.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.424 K(o=-0.42,f=-2.4) USER MOD Single : A 73 HIS : no HE2:sc= -28.9! C(o=-29!,f=-29!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 174:sc= -1.51 (180deg=-1.55) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.78) USER MOD Single : A 85 SER OG : rot -64:sc= 1.25 USER MOD Single : A 92 SER OG : rot -133:sc= 0.576 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc=-0.00103 F(o=-1.5,f=-0.001) USER MOD Single : A 96 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.16) USER MOD Single : A 101 TYR OH : rot -54:sc= 0.958 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -61:sc= 0.0349 USER MOD Single : A 121 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.0093) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.332 -17.908 -16.538 1.00 0.00 N ATOM 2 CA MET A 1 -11.455 -17.533 -15.632 1.00 0.00 C ATOM 3 C MET A 1 -11.069 -16.289 -14.828 1.00 0.00 C ATOM 4 O MET A 1 -9.918 -16.086 -14.497 1.00 0.00 O ATOM 5 CB MET A 1 -11.742 -18.689 -14.671 1.00 0.00 C ATOM 6 CG MET A 1 -13.152 -18.540 -14.095 1.00 0.00 C ATOM 7 SD MET A 1 -13.834 -20.178 -13.739 1.00 0.00 S ATOM 8 CE MET A 1 -15.546 -19.660 -13.464 1.00 0.00 C ATOM 0 H1 MET A 1 -10.621 -17.766 -17.527 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.505 -17.313 -16.330 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.085 -18.907 -16.390 1.00 0.00 H new ATOM 0 HA MET A 1 -12.345 -17.322 -16.225 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.651 -19.641 -15.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.008 -18.696 -13.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.123 -17.941 -13.185 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.792 -18.014 -14.803 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.156 -20.531 -13.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.583 -18.953 -12.636 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.931 -19.184 -14.366 1.00 0.00 H new ATOM 20 N GLN A 2 -12.023 -15.455 -14.509 1.00 0.00 N ATOM 21 CA GLN A 2 -11.709 -14.227 -13.724 1.00 0.00 C ATOM 22 C GLN A 2 -10.748 -14.585 -12.590 1.00 0.00 C ATOM 23 O GLN A 2 -10.961 -15.531 -11.859 1.00 0.00 O ATOM 24 CB GLN A 2 -12.999 -13.659 -13.131 1.00 0.00 C ATOM 25 CG GLN A 2 -13.751 -14.772 -12.399 1.00 0.00 C ATOM 26 CD GLN A 2 -14.366 -14.214 -11.114 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.711 -13.519 -10.364 1.00 0.00 O ATOM 28 NE2 GLN A 2 -15.608 -14.494 -10.828 1.00 0.00 N ATOM 0 H GLN A 2 -13.005 -15.571 -14.758 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.249 -13.485 -14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.769 -12.846 -12.443 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.623 -13.241 -13.921 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.532 -15.181 -13.041 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.071 -15.591 -12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.157 -15.078 -11.459 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -16.029 -14.129 -9.974 1.00 0.00 H new ATOM 37 N ARG A 3 -9.688 -13.840 -12.439 1.00 0.00 N ATOM 38 CA ARG A 3 -8.719 -14.148 -11.352 1.00 0.00 C ATOM 39 C ARG A 3 -7.566 -13.147 -11.392 1.00 0.00 C ATOM 40 O ARG A 3 -6.609 -13.318 -12.122 1.00 0.00 O ATOM 41 CB ARG A 3 -8.171 -15.564 -11.548 1.00 0.00 C ATOM 42 CG ARG A 3 -7.518 -16.042 -10.251 1.00 0.00 C ATOM 43 CD ARG A 3 -7.992 -17.462 -9.929 1.00 0.00 C ATOM 44 NE ARG A 3 -7.349 -18.425 -10.867 1.00 0.00 N ATOM 45 CZ ARG A 3 -6.253 -19.042 -10.519 1.00 0.00 C ATOM 46 NH1 ARG A 3 -6.274 -19.913 -9.548 1.00 0.00 N ATOM 47 NH2 ARG A 3 -5.134 -18.787 -11.142 1.00 0.00 N ATOM 0 H ARG A 3 -9.452 -13.035 -13.019 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.222 -14.080 -10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.976 -16.241 -11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.443 -15.575 -12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.433 -16.024 -10.351 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.774 -15.368 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.739 -17.717 -8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.077 -17.523 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.766 -18.602 -11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.147 -20.112 -9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.417 -20.395 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.117 -18.105 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.277 -19.269 -10.870 1.00 0.00 H new ATOM 61 N GLY A 4 -7.643 -12.102 -10.615 1.00 0.00 N ATOM 62 CA GLY A 4 -6.544 -11.096 -10.615 1.00 0.00 C ATOM 63 C GLY A 4 -6.642 -10.231 -9.358 1.00 0.00 C ATOM 64 O GLY A 4 -7.631 -9.561 -9.130 1.00 0.00 O ATOM 0 H GLY A 4 -8.417 -11.902 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.577 -11.598 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.610 -10.471 -11.505 1.00 0.00 H new ATOM 68 N ILE A 5 -5.627 -10.237 -8.538 1.00 0.00 N ATOM 69 CA ILE A 5 -5.675 -9.408 -7.301 1.00 0.00 C ATOM 70 C ILE A 5 -4.835 -8.148 -7.498 1.00 0.00 C ATOM 71 O ILE A 5 -3.634 -8.208 -7.673 1.00 0.00 O ATOM 72 CB ILE A 5 -5.132 -10.207 -6.112 1.00 0.00 C ATOM 73 CG1 ILE A 5 -5.372 -11.700 -6.332 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.842 -9.766 -4.832 1.00 0.00 C ATOM 75 CD1 ILE A 5 -6.798 -11.919 -6.824 1.00 0.00 C ATOM 0 H ILE A 5 -4.772 -10.777 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.709 -9.129 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.061 -10.024 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.661 -12.090 -7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.209 -12.246 -5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.455 -10.335 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.665 -8.703 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.913 -9.945 -4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.969 -12.984 -6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.501 -11.544 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.945 -11.386 -7.763 1.00 0.00 H new ATOM 87 N VAL A 6 -5.462 -7.004 -7.469 1.00 0.00 N ATOM 88 CA VAL A 6 -4.708 -5.733 -7.652 1.00 0.00 C ATOM 89 C VAL A 6 -4.961 -4.828 -6.447 1.00 0.00 C ATOM 90 O VAL A 6 -6.048 -4.306 -6.277 1.00 0.00 O ATOM 91 CB VAL A 6 -5.190 -5.037 -8.944 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.180 -3.507 -8.783 1.00 0.00 C ATOM 93 CG2 VAL A 6 -4.265 -5.418 -10.098 1.00 0.00 C ATOM 0 H VAL A 6 -6.466 -6.895 -7.326 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.641 -5.938 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.210 -5.362 -9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.524 -3.042 -9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.842 -3.223 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.167 -3.171 -8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.602 -4.928 -11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.248 -5.099 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.284 -6.499 -10.238 1.00 0.00 H new ATOM 103 N TRP A 7 -3.982 -4.618 -5.608 1.00 0.00 N ATOM 104 CA TRP A 7 -4.225 -3.726 -4.455 1.00 0.00 C ATOM 105 C TRP A 7 -3.653 -2.350 -4.809 1.00 0.00 C ATOM 106 O TRP A 7 -2.496 -2.051 -4.587 1.00 0.00 O ATOM 107 CB TRP A 7 -3.594 -4.322 -3.191 1.00 0.00 C ATOM 108 CG TRP A 7 -4.500 -5.405 -2.686 1.00 0.00 C ATOM 109 CD1 TRP A 7 -5.455 -6.013 -3.429 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.561 -6.022 -1.365 1.00 0.00 C ATOM 111 NE1 TRP A 7 -6.096 -6.957 -2.656 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.584 -7.004 -1.379 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.841 -5.835 -0.170 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.882 -7.767 -0.254 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.143 -6.605 0.967 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.162 -7.570 0.921 1.00 0.00 C ATOM 0 H TRP A 7 -3.046 -5.019 -5.674 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.289 -3.621 -4.245 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.606 -4.725 -3.412 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.462 -3.551 -2.432 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.679 -5.793 -4.462 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.857 -7.549 -2.989 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.054 -5.097 -0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.667 -8.508 -0.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.588 -6.453 1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.387 -8.160 1.797 1.00 0.00 H new ATOM 127 N VAL A 8 -4.467 -1.528 -5.416 1.00 0.00 N ATOM 128 CA VAL A 8 -4.010 -0.179 -5.850 1.00 0.00 C ATOM 129 C VAL A 8 -3.853 0.740 -4.636 1.00 0.00 C ATOM 130 O VAL A 8 -4.627 0.695 -3.703 1.00 0.00 O ATOM 131 CB VAL A 8 -5.055 0.407 -6.808 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.826 1.912 -6.975 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.945 -0.279 -8.171 1.00 0.00 C ATOM 0 H VAL A 8 -5.442 -1.738 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.046 -0.262 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.049 0.239 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.572 2.320 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.913 2.403 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.830 2.086 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.688 0.139 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.948 -0.117 -8.580 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.120 -1.349 -8.055 1.00 0.00 H new ATOM 143 N VAL A 9 -2.857 1.584 -4.642 1.00 0.00 N ATOM 144 CA VAL A 9 -2.663 2.507 -3.491 1.00 0.00 C ATOM 145 C VAL A 9 -3.379 3.829 -3.778 1.00 0.00 C ATOM 146 O VAL A 9 -2.902 4.656 -4.532 1.00 0.00 O ATOM 147 CB VAL A 9 -1.172 2.766 -3.280 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.982 3.618 -2.025 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.443 1.432 -3.101 1.00 0.00 C ATOM 0 H VAL A 9 -2.172 1.673 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.077 2.055 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.766 3.289 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.080 3.806 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.504 4.567 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.387 3.090 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.621 1.616 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.847 0.910 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.583 0.819 -3.991 1.00 0.00 H new ATOM 159 N ASP A 10 -4.526 4.026 -3.184 1.00 0.00 N ATOM 160 CA ASP A 10 -5.292 5.279 -3.413 1.00 0.00 C ATOM 161 C ASP A 10 -4.408 6.493 -3.123 1.00 0.00 C ATOM 162 O ASP A 10 -3.222 6.369 -2.893 1.00 0.00 O ATOM 163 CB ASP A 10 -6.499 5.302 -2.481 1.00 0.00 C ATOM 164 CG ASP A 10 -7.473 4.184 -2.866 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.444 3.768 -4.012 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.230 3.764 -2.005 1.00 0.00 O ATOM 0 H ASP A 10 -4.966 3.364 -2.545 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.620 5.316 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.175 5.175 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.998 6.269 -2.542 1.00 0.00 H new ATOM 171 N ASP A 11 -4.976 7.669 -3.147 1.00 0.00 N ATOM 172 CA ASP A 11 -4.171 8.886 -2.892 1.00 0.00 C ATOM 173 C ASP A 11 -4.929 9.859 -1.977 1.00 0.00 C ATOM 174 O ASP A 11 -4.390 10.867 -1.564 1.00 0.00 O ATOM 175 CB ASP A 11 -3.876 9.573 -4.224 1.00 0.00 C ATOM 176 CG ASP A 11 -4.987 9.267 -5.233 1.00 0.00 C ATOM 177 OD1 ASP A 11 -5.158 8.104 -5.559 1.00 0.00 O ATOM 178 OD2 ASP A 11 -5.644 10.201 -5.663 1.00 0.00 O ATOM 0 H ASP A 11 -5.965 7.834 -3.333 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.243 8.598 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.795 10.650 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.917 9.232 -4.613 1.00 0.00 H new ATOM 183 N ASP A 12 -6.167 9.585 -1.647 1.00 0.00 N ATOM 184 CA ASP A 12 -6.904 10.531 -0.758 1.00 0.00 C ATOM 185 C ASP A 12 -8.379 10.153 -0.666 1.00 0.00 C ATOM 186 O ASP A 12 -9.252 10.961 -0.911 1.00 0.00 O ATOM 187 CB ASP A 12 -6.786 11.946 -1.323 1.00 0.00 C ATOM 188 CG ASP A 12 -6.050 12.845 -0.324 1.00 0.00 C ATOM 189 OD1 ASP A 12 -5.784 12.385 0.774 1.00 0.00 O ATOM 190 OD2 ASP A 12 -5.767 13.977 -0.675 1.00 0.00 O ATOM 0 H ASP A 12 -6.690 8.763 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.467 10.482 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.249 11.925 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.778 12.350 -1.527 1.00 0.00 H new ATOM 195 N SER A 13 -8.659 8.942 -0.291 1.00 0.00 N ATOM 196 CA SER A 13 -10.080 8.505 -0.158 1.00 0.00 C ATOM 197 C SER A 13 -10.834 8.760 -1.470 1.00 0.00 C ATOM 198 O SER A 13 -10.449 9.583 -2.274 1.00 0.00 O ATOM 199 CB SER A 13 -10.747 9.290 0.971 1.00 0.00 C ATOM 200 OG SER A 13 -9.813 10.210 1.521 1.00 0.00 O ATOM 0 H SER A 13 -7.965 8.229 -0.069 1.00 0.00 H new ATOM 0 HA SER A 13 -10.107 7.439 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.619 9.823 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.101 8.608 1.744 1.00 0.00 H new ATOM 0 HG SER A 13 -10.239 10.716 2.244 1.00 0.00 H new ATOM 206 N SER A 14 -11.906 8.045 -1.694 1.00 0.00 N ATOM 207 CA SER A 14 -12.688 8.232 -2.953 1.00 0.00 C ATOM 208 C SER A 14 -11.948 7.583 -4.125 1.00 0.00 C ATOM 209 O SER A 14 -12.468 7.481 -5.218 1.00 0.00 O ATOM 210 CB SER A 14 -12.881 9.726 -3.228 1.00 0.00 C ATOM 211 OG SER A 14 -14.270 10.027 -3.224 1.00 0.00 O ATOM 0 H SER A 14 -12.275 7.338 -1.058 1.00 0.00 H new ATOM 0 HA SER A 14 -13.664 7.760 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.367 10.317 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.442 9.990 -4.190 1.00 0.00 H new ATOM 0 HG SER A 14 -14.398 10.983 -3.398 1.00 0.00 H new ATOM 217 N ILE A 15 -10.742 7.133 -3.908 1.00 0.00 N ATOM 218 CA ILE A 15 -9.982 6.484 -5.005 1.00 0.00 C ATOM 219 C ILE A 15 -10.365 5.005 -5.059 1.00 0.00 C ATOM 220 O ILE A 15 -10.407 4.395 -6.115 1.00 0.00 O ATOM 221 CB ILE A 15 -8.480 6.647 -4.731 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.144 8.137 -4.606 1.00 0.00 C ATOM 223 CG2 ILE A 15 -7.675 6.053 -5.884 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.829 8.916 -5.731 1.00 0.00 C ATOM 0 H ILE A 15 -10.252 7.189 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.216 6.945 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.228 6.129 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.472 8.514 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.065 8.282 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.610 6.172 -5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.909 4.993 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.930 6.569 -6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.588 9.975 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.479 8.546 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.909 8.782 -5.661 1.00 0.00 H new ATOM 236 N ARG A 16 -10.672 4.432 -3.926 1.00 0.00 N ATOM 237 CA ARG A 16 -11.080 3.003 -3.898 1.00 0.00 C ATOM 238 C ARG A 16 -12.361 2.848 -4.710 1.00 0.00 C ATOM 239 O ARG A 16 -12.498 1.948 -5.516 1.00 0.00 O ATOM 240 CB ARG A 16 -11.348 2.574 -2.453 1.00 0.00 C ATOM 241 CG ARG A 16 -11.933 1.160 -2.444 1.00 0.00 C ATOM 242 CD ARG A 16 -11.577 0.462 -1.130 1.00 0.00 C ATOM 243 NE ARG A 16 -12.827 0.012 -0.450 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.759 -0.742 0.616 1.00 0.00 C ATOM 245 NH1 ARG A 16 -11.687 -1.447 0.850 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.765 -0.791 1.447 1.00 0.00 N ATOM 0 H ARG A 16 -10.657 4.896 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.288 2.383 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.423 2.601 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.040 3.269 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.016 1.203 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.543 0.590 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.928 -0.392 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.023 1.142 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.736 0.293 -0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.901 -1.410 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.635 -2.035 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.604 -0.241 1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.711 -1.379 2.278 1.00 0.00 H new ATOM 260 N TRP A 17 -13.300 3.728 -4.504 1.00 0.00 N ATOM 261 CA TRP A 17 -14.576 3.647 -5.262 1.00 0.00 C ATOM 262 C TRP A 17 -14.274 3.728 -6.757 1.00 0.00 C ATOM 263 O TRP A 17 -14.599 2.837 -7.506 1.00 0.00 O ATOM 264 CB TRP A 17 -15.486 4.809 -4.850 1.00 0.00 C ATOM 265 CG TRP A 17 -16.895 4.521 -5.265 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.767 3.763 -4.561 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.612 4.974 -6.451 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.973 3.719 -5.241 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.926 4.451 -6.412 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.253 5.778 -7.548 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.852 4.717 -7.423 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.181 6.048 -8.568 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.478 5.520 -8.505 1.00 0.00 C ATOM 0 H TRP A 17 -13.237 4.501 -3.842 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.079 2.705 -5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.438 4.956 -3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.143 5.734 -5.313 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.557 3.272 -3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.795 3.209 -4.917 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -16.257 6.191 -7.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.849 4.306 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -17.893 6.666 -9.406 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.187 5.733 -9.291 1.00 0.00 H new ATOM 284 N VAL A 18 -13.684 4.804 -7.199 1.00 0.00 N ATOM 285 CA VAL A 18 -13.386 4.954 -8.654 1.00 0.00 C ATOM 286 C VAL A 18 -12.920 3.618 -9.260 1.00 0.00 C ATOM 287 O VAL A 18 -13.610 2.996 -10.057 1.00 0.00 O ATOM 288 CB VAL A 18 -12.266 5.986 -8.810 1.00 0.00 C ATOM 289 CG1 VAL A 18 -11.723 5.947 -10.240 1.00 0.00 C ATOM 290 CG2 VAL A 18 -12.818 7.383 -8.515 1.00 0.00 C ATOM 0 H VAL A 18 -13.394 5.588 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.290 5.273 -9.173 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.462 5.754 -8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.926 6.683 -10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.330 4.953 -10.453 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.526 6.177 -10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.022 8.120 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.623 7.611 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.202 7.414 -7.496 1.00 0.00 H new ATOM 300 N LEU A 19 -11.737 3.189 -8.903 1.00 0.00 N ATOM 301 CA LEU A 19 -11.190 1.917 -9.466 1.00 0.00 C ATOM 302 C LEU A 19 -12.131 0.746 -9.179 1.00 0.00 C ATOM 303 O LEU A 19 -12.772 0.229 -10.071 1.00 0.00 O ATOM 304 CB LEU A 19 -9.818 1.636 -8.846 1.00 0.00 C ATOM 305 CG LEU A 19 -8.723 2.140 -9.789 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.351 1.955 -9.137 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.774 1.348 -11.098 1.00 0.00 C ATOM 0 H LEU A 19 -11.123 3.667 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.095 2.026 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.736 2.130 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.698 0.567 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.885 3.198 -9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.575 2.315 -9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.312 2.520 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.187 0.898 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.995 1.706 -11.771 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.615 0.290 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.748 1.483 -11.567 1.00 0.00 H new ATOM 319 N GLU A 20 -12.187 0.304 -7.952 1.00 0.00 N ATOM 320 CA GLU A 20 -13.058 -0.859 -7.594 1.00 0.00 C ATOM 321 C GLU A 20 -14.352 -0.833 -8.413 1.00 0.00 C ATOM 322 O GLU A 20 -14.926 -1.859 -8.714 1.00 0.00 O ATOM 323 CB GLU A 20 -13.406 -0.781 -6.106 1.00 0.00 C ATOM 324 CG GLU A 20 -13.784 -2.172 -5.595 1.00 0.00 C ATOM 325 CD GLU A 20 -14.893 -2.049 -4.548 1.00 0.00 C ATOM 326 OE1 GLU A 20 -15.028 -0.977 -3.982 1.00 0.00 O ATOM 327 OE2 GLU A 20 -15.587 -3.028 -4.332 1.00 0.00 O ATOM 0 H GLU A 20 -11.662 0.701 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.522 -1.783 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.557 -0.394 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.233 -0.088 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.119 -2.796 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.912 -2.660 -5.160 1.00 0.00 H new ATOM 334 N ARG A 21 -14.810 0.330 -8.778 1.00 0.00 N ATOM 335 CA ARG A 21 -16.059 0.419 -9.581 1.00 0.00 C ATOM 336 C ARG A 21 -15.799 -0.199 -10.952 1.00 0.00 C ATOM 337 O ARG A 21 -16.480 -1.113 -11.372 1.00 0.00 O ATOM 338 CB ARG A 21 -16.460 1.886 -9.744 1.00 0.00 C ATOM 339 CG ARG A 21 -17.870 1.967 -10.331 1.00 0.00 C ATOM 340 CD ARG A 21 -18.899 1.786 -9.213 1.00 0.00 C ATOM 341 NE ARG A 21 -20.274 1.903 -9.776 1.00 0.00 N ATOM 342 CZ ARG A 21 -20.623 1.180 -10.805 1.00 0.00 C ATOM 343 NH1 ARG A 21 -20.003 0.059 -11.058 1.00 0.00 N ATOM 344 NH2 ARG A 21 -21.597 1.576 -11.577 1.00 0.00 N ATOM 0 H ARG A 21 -14.373 1.224 -8.555 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.866 -0.115 -9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.426 2.393 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.753 2.397 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.016 2.929 -10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.004 1.197 -11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.770 0.812 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.747 2.538 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.943 2.549 -9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.245 -0.253 -10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.277 -0.505 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -22.084 2.449 -11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -21.871 1.012 -12.382 1.00 0.00 H new ATOM 358 N ALA A 22 -14.810 0.287 -11.651 1.00 0.00 N ATOM 359 CA ALA A 22 -14.504 -0.290 -12.992 1.00 0.00 C ATOM 360 C ALA A 22 -13.900 -1.690 -12.821 1.00 0.00 C ATOM 361 O ALA A 22 -13.642 -2.387 -13.783 1.00 0.00 O ATOM 362 CB ALA A 22 -13.507 0.613 -13.720 1.00 0.00 C ATOM 0 H ALA A 22 -14.204 1.053 -11.355 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.422 -0.361 -13.576 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.283 0.192 -14.700 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.938 1.607 -13.842 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.589 0.685 -13.137 1.00 0.00 H new ATOM 368 N LEU A 23 -13.671 -2.104 -11.604 1.00 0.00 N ATOM 369 CA LEU A 23 -13.085 -3.451 -11.360 1.00 0.00 C ATOM 370 C LEU A 23 -14.180 -4.410 -10.883 1.00 0.00 C ATOM 371 O LEU A 23 -13.988 -5.613 -10.821 1.00 0.00 O ATOM 372 CB LEU A 23 -12.003 -3.330 -10.290 1.00 0.00 C ATOM 373 CG LEU A 23 -10.641 -3.589 -10.936 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.638 -4.981 -11.566 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.388 -2.543 -12.023 1.00 0.00 C ATOM 0 H LEU A 23 -13.867 -1.562 -10.763 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.651 -3.839 -12.281 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.025 -2.337 -9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.183 -4.046 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.859 -3.526 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.669 -5.169 -12.028 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.825 -5.729 -10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.418 -5.039 -12.325 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.418 -2.726 -12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.169 -2.609 -12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.397 -1.548 -11.579 1.00 0.00 H new ATOM 387 N ALA A 24 -15.330 -3.885 -10.552 1.00 0.00 N ATOM 388 CA ALA A 24 -16.444 -4.758 -10.091 1.00 0.00 C ATOM 389 C ALA A 24 -17.045 -5.460 -11.307 1.00 0.00 C ATOM 390 O ALA A 24 -17.309 -6.645 -11.287 1.00 0.00 O ATOM 391 CB ALA A 24 -17.516 -3.906 -9.407 1.00 0.00 C ATOM 0 H ALA A 24 -15.544 -2.888 -10.582 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.071 -5.495 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.331 -4.547 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.080 -3.393 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.901 -3.170 -10.113 1.00 0.00 H new ATOM 397 N GLY A 25 -17.246 -4.734 -12.374 1.00 0.00 N ATOM 398 CA GLY A 25 -17.809 -5.358 -13.602 1.00 0.00 C ATOM 399 C GLY A 25 -16.784 -6.348 -14.153 1.00 0.00 C ATOM 400 O GLY A 25 -17.105 -7.237 -14.915 1.00 0.00 O ATOM 0 H GLY A 25 -17.044 -3.737 -12.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.744 -5.869 -13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.036 -4.594 -14.346 1.00 0.00 H new ATOM 404 N ALA A 26 -15.548 -6.198 -13.759 1.00 0.00 N ATOM 405 CA ALA A 26 -14.489 -7.126 -14.238 1.00 0.00 C ATOM 406 C ALA A 26 -14.483 -8.368 -13.344 1.00 0.00 C ATOM 407 O ALA A 26 -13.978 -9.410 -13.710 1.00 0.00 O ATOM 408 CB ALA A 26 -13.129 -6.428 -14.161 1.00 0.00 C ATOM 0 H ALA A 26 -15.227 -5.468 -13.123 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.684 -7.416 -15.271 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.351 -7.107 -14.512 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.142 -5.536 -14.787 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.924 -6.144 -13.129 1.00 0.00 H new ATOM 414 N GLY A 27 -15.049 -8.260 -12.172 1.00 0.00 N ATOM 415 CA GLY A 27 -15.089 -9.426 -11.246 1.00 0.00 C ATOM 416 C GLY A 27 -13.682 -9.723 -10.732 1.00 0.00 C ATOM 417 O GLY A 27 -13.219 -10.846 -10.780 1.00 0.00 O ATOM 0 H GLY A 27 -15.487 -7.410 -11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.755 -9.216 -10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.490 -10.299 -11.762 1.00 0.00 H new ATOM 421 N LEU A 28 -12.990 -8.730 -10.245 1.00 0.00 N ATOM 422 CA LEU A 28 -11.611 -8.974 -9.739 1.00 0.00 C ATOM 423 C LEU A 28 -11.488 -8.519 -8.291 1.00 0.00 C ATOM 424 O LEU A 28 -12.418 -8.010 -7.697 1.00 0.00 O ATOM 425 CB LEU A 28 -10.613 -8.200 -10.593 1.00 0.00 C ATOM 426 CG LEU A 28 -10.208 -9.059 -11.788 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.279 -8.261 -12.693 1.00 0.00 C ATOM 428 CD2 LEU A 28 -9.482 -10.303 -11.286 1.00 0.00 C ATOM 0 H LEU A 28 -13.317 -7.766 -10.176 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.401 -10.042 -9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.056 -7.265 -10.935 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.735 -7.939 -10.002 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.096 -9.352 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.989 -8.873 -13.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.794 -7.367 -13.045 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.389 -7.971 -12.135 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.190 -10.921 -12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.593 -10.006 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.144 -10.872 -10.633 1.00 0.00 H new ATOM 440 N THR A 29 -10.330 -8.699 -7.728 1.00 0.00 N ATOM 441 CA THR A 29 -10.096 -8.282 -6.319 1.00 0.00 C ATOM 442 C THR A 29 -9.467 -6.894 -6.326 1.00 0.00 C ATOM 443 O THR A 29 -8.316 -6.717 -5.974 1.00 0.00 O ATOM 444 CB THR A 29 -9.138 -9.269 -5.657 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.804 -10.508 -5.450 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.659 -8.709 -4.312 1.00 0.00 C ATOM 0 H THR A 29 -9.525 -9.123 -8.189 1.00 0.00 H new ATOM 0 HA THR A 29 -11.036 -8.265 -5.768 1.00 0.00 H new ATOM 0 HB THR A 29 -8.275 -9.423 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.330 -11.024 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.976 -9.418 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.144 -7.762 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.517 -8.548 -3.659 1.00 0.00 H new ATOM 454 N CYS A 30 -10.207 -5.911 -6.744 1.00 0.00 N ATOM 455 CA CYS A 30 -9.653 -4.538 -6.799 1.00 0.00 C ATOM 456 C CYS A 30 -9.673 -3.913 -5.409 1.00 0.00 C ATOM 457 O CYS A 30 -10.565 -3.165 -5.064 1.00 0.00 O ATOM 458 CB CYS A 30 -10.504 -3.706 -7.744 1.00 0.00 C ATOM 459 SG CYS A 30 -9.725 -2.093 -8.008 1.00 0.00 S ATOM 0 H CYS A 30 -11.176 -6.001 -7.051 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.623 -4.572 -7.155 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.620 -4.224 -8.696 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.503 -3.574 -7.329 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.580 -1.489 -6.866 1.00 0.00 H new ATOM 465 N THR A 31 -8.680 -4.193 -4.617 1.00 0.00 N ATOM 466 CA THR A 31 -8.628 -3.591 -3.261 1.00 0.00 C ATOM 467 C THR A 31 -7.768 -2.338 -3.349 1.00 0.00 C ATOM 468 O THR A 31 -6.799 -2.302 -4.076 1.00 0.00 O ATOM 469 CB THR A 31 -7.993 -4.578 -2.280 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.515 -5.878 -2.509 1.00 0.00 O ATOM 471 CG2 THR A 31 -8.297 -4.150 -0.846 1.00 0.00 C ATOM 0 H THR A 31 -7.903 -4.812 -4.850 1.00 0.00 H new ATOM 0 HA THR A 31 -9.631 -3.349 -2.911 1.00 0.00 H new ATOM 0 HB THR A 31 -6.913 -4.589 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.884 -6.548 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.842 -4.856 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.890 -3.154 -0.669 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.376 -4.133 -0.692 1.00 0.00 H new ATOM 479 N THR A 32 -8.097 -1.306 -2.639 1.00 0.00 N ATOM 480 CA THR A 32 -7.254 -0.091 -2.741 1.00 0.00 C ATOM 481 C THR A 32 -7.046 0.530 -1.369 1.00 0.00 C ATOM 482 O THR A 32 -7.976 0.945 -0.706 1.00 0.00 O ATOM 483 CB THR A 32 -7.910 0.928 -3.667 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.922 1.624 -2.957 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.524 0.209 -4.868 1.00 0.00 C ATOM 0 H THR A 32 -8.894 -1.247 -2.005 1.00 0.00 H new ATOM 0 HA THR A 32 -6.286 -0.380 -3.150 1.00 0.00 H new ATOM 0 HB THR A 32 -7.161 1.637 -4.019 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.516 2.134 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.992 0.939 -5.529 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.743 -0.324 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.275 -0.501 -4.522 1.00 0.00 H new ATOM 493 N PHE A 33 -5.821 0.613 -0.954 1.00 0.00 N ATOM 494 CA PHE A 33 -5.516 1.225 0.358 1.00 0.00 C ATOM 495 C PHE A 33 -5.417 2.739 0.150 1.00 0.00 C ATOM 496 O PHE A 33 -5.965 3.258 -0.797 1.00 0.00 O ATOM 497 CB PHE A 33 -4.199 0.636 0.869 1.00 0.00 C ATOM 498 CG PHE A 33 -4.503 -0.638 1.618 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.141 -1.693 0.955 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.164 -0.763 2.970 1.00 0.00 C ATOM 501 CE1 PHE A 33 -5.439 -2.874 1.642 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.460 -1.948 3.657 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.100 -3.002 2.993 1.00 0.00 C ATOM 0 H PHE A 33 -5.009 0.279 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.289 1.021 1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.526 0.434 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.694 1.348 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.403 -1.595 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.675 0.052 3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.931 -3.687 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.194 -2.049 4.699 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.332 -3.913 3.524 1.00 0.00 H new ATOM 513 N GLU A 34 -4.747 3.458 1.006 1.00 0.00 N ATOM 514 CA GLU A 34 -4.657 4.938 0.809 1.00 0.00 C ATOM 515 C GLU A 34 -3.193 5.351 0.615 1.00 0.00 C ATOM 516 O GLU A 34 -2.887 6.236 -0.160 1.00 0.00 O ATOM 517 CB GLU A 34 -5.224 5.652 2.039 1.00 0.00 C ATOM 518 CG GLU A 34 -4.926 4.830 3.295 1.00 0.00 C ATOM 519 CD GLU A 34 -6.092 3.879 3.571 1.00 0.00 C ATOM 520 OE1 GLU A 34 -7.223 4.279 3.347 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.836 2.767 4.003 1.00 0.00 O ATOM 0 H GLU A 34 -4.262 3.094 1.826 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.230 5.216 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.784 6.645 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.300 5.788 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.004 4.263 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.773 5.492 4.148 1.00 0.00 H new ATOM 528 N ASN A 35 -2.285 4.725 1.318 1.00 0.00 N ATOM 529 CA ASN A 35 -0.843 5.092 1.174 1.00 0.00 C ATOM 530 C ASN A 35 -0.003 3.827 0.972 1.00 0.00 C ATOM 531 O ASN A 35 -0.312 2.778 1.504 1.00 0.00 O ATOM 532 CB ASN A 35 -0.376 5.811 2.443 1.00 0.00 C ATOM 533 CG ASN A 35 -0.969 7.220 2.480 1.00 0.00 C ATOM 534 OD1 ASN A 35 -0.401 8.146 1.935 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.095 7.425 3.107 1.00 0.00 N ATOM 0 H ASN A 35 -2.478 3.977 1.984 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.722 5.747 0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.686 5.251 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.713 5.863 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.498 8.362 3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.573 6.649 3.565 1.00 0.00 H new ATOM 542 N GLY A 36 1.058 3.914 0.211 1.00 0.00 N ATOM 543 CA GLY A 36 1.911 2.708 -0.017 1.00 0.00 C ATOM 544 C GLY A 36 2.310 2.112 1.326 1.00 0.00 C ATOM 545 O GLY A 36 2.338 0.917 1.493 1.00 0.00 O ATOM 0 H GLY A 36 1.370 4.763 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.368 1.971 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.800 2.980 -0.586 1.00 0.00 H new ATOM 549 N ASN A 37 2.617 2.929 2.291 1.00 0.00 N ATOM 550 CA ASN A 37 3.003 2.373 3.612 1.00 0.00 C ATOM 551 C ASN A 37 1.977 1.305 4.004 1.00 0.00 C ATOM 552 O ASN A 37 2.179 0.129 3.781 1.00 0.00 O ATOM 553 CB ASN A 37 3.016 3.488 4.660 1.00 0.00 C ATOM 554 CG ASN A 37 4.463 3.807 5.043 1.00 0.00 C ATOM 555 OD1 ASN A 37 5.328 2.960 4.952 1.00 0.00 O ATOM 556 ND2 ASN A 37 4.764 5.002 5.473 1.00 0.00 N ATOM 0 H ASN A 37 2.617 3.947 2.223 1.00 0.00 H new ATOM 0 HA ASN A 37 3.999 1.934 3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.528 4.379 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.454 3.180 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.725 5.224 5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.038 5.714 5.550 1.00 0.00 H new ATOM 563 N GLU A 38 0.881 1.717 4.591 1.00 0.00 N ATOM 564 CA GLU A 38 -0.179 0.749 5.014 1.00 0.00 C ATOM 565 C GLU A 38 -0.288 -0.415 4.020 1.00 0.00 C ATOM 566 O GLU A 38 -0.326 -1.565 4.405 1.00 0.00 O ATOM 567 CB GLU A 38 -1.524 1.481 5.060 1.00 0.00 C ATOM 568 CG GLU A 38 -1.998 1.590 6.510 1.00 0.00 C ATOM 569 CD GLU A 38 -3.418 2.159 6.539 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.290 1.555 5.934 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.610 3.188 7.164 1.00 0.00 O ATOM 0 H GLU A 38 0.673 2.694 4.798 1.00 0.00 H new ATOM 0 HA GLU A 38 0.083 0.350 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.424 2.475 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.262 0.944 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.978 0.609 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.325 2.233 7.077 1.00 0.00 H new ATOM 578 N VAL A 39 -0.350 -0.123 2.747 1.00 0.00 N ATOM 579 CA VAL A 39 -0.469 -1.199 1.730 1.00 0.00 C ATOM 580 C VAL A 39 0.594 -2.265 1.966 1.00 0.00 C ATOM 581 O VAL A 39 0.302 -3.373 2.361 1.00 0.00 O ATOM 582 CB VAL A 39 -0.249 -0.577 0.355 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.430 -1.641 -0.719 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.253 0.552 0.127 1.00 0.00 C ATOM 0 H VAL A 39 -0.323 0.824 2.369 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.454 -1.661 1.796 1.00 0.00 H new ATOM 0 HB VAL A 39 0.762 -0.173 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.273 -1.196 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.293 -2.442 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.440 -2.047 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.089 0.991 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.266 0.155 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.120 1.317 0.892 1.00 0.00 H new ATOM 594 N LEU A 40 1.823 -1.939 1.707 1.00 0.00 N ATOM 595 CA LEU A 40 2.914 -2.921 1.898 1.00 0.00 C ATOM 596 C LEU A 40 2.865 -3.468 3.324 1.00 0.00 C ATOM 597 O LEU A 40 3.380 -4.532 3.608 1.00 0.00 O ATOM 598 CB LEU A 40 4.258 -2.230 1.643 1.00 0.00 C ATOM 599 CG LEU A 40 5.391 -3.255 1.693 1.00 0.00 C ATOM 600 CD1 LEU A 40 5.729 -3.553 3.153 1.00 0.00 C ATOM 601 CD2 LEU A 40 4.950 -4.536 0.984 1.00 0.00 C ATOM 0 H LEU A 40 2.120 -1.024 1.368 1.00 0.00 H new ATOM 0 HA LEU A 40 2.796 -3.749 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.244 -1.738 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.425 -1.454 2.390 1.00 0.00 H new ATOM 0 HG LEU A 40 6.274 -2.859 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.537 -4.284 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.043 -2.634 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.849 -3.954 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.757 -5.268 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.070 -4.943 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.708 -4.312 -0.055 1.00 0.00 H new ATOM 613 N ALA A 41 2.237 -2.761 4.221 1.00 0.00 N ATOM 614 CA ALA A 41 2.142 -3.258 5.620 1.00 0.00 C ATOM 615 C ALA A 41 1.233 -4.484 5.630 1.00 0.00 C ATOM 616 O ALA A 41 1.505 -5.473 6.282 1.00 0.00 O ATOM 617 CB ALA A 41 1.548 -2.166 6.513 1.00 0.00 C ATOM 0 H ALA A 41 1.787 -1.863 4.046 1.00 0.00 H new ATOM 0 HA ALA A 41 3.131 -3.521 5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.479 -2.531 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.188 -1.284 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.553 -1.903 6.154 1.00 0.00 H new ATOM 623 N ALA A 42 0.160 -4.426 4.893 1.00 0.00 N ATOM 624 CA ALA A 42 -0.776 -5.577 4.827 1.00 0.00 C ATOM 625 C ALA A 42 -0.260 -6.579 3.794 1.00 0.00 C ATOM 626 O ALA A 42 -0.683 -7.718 3.750 1.00 0.00 O ATOM 627 CB ALA A 42 -2.156 -5.073 4.400 1.00 0.00 C ATOM 0 H ALA A 42 -0.110 -3.621 4.328 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.847 -6.058 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.850 -5.912 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.519 -4.346 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.084 -4.602 3.420 1.00 0.00 H new ATOM 633 N LEU A 43 0.653 -6.160 2.960 1.00 0.00 N ATOM 634 CA LEU A 43 1.200 -7.077 1.925 1.00 0.00 C ATOM 635 C LEU A 43 2.321 -7.919 2.520 1.00 0.00 C ATOM 636 O LEU A 43 2.911 -8.747 1.859 1.00 0.00 O ATOM 637 CB LEU A 43 1.751 -6.257 0.772 1.00 0.00 C ATOM 638 CG LEU A 43 0.966 -6.587 -0.496 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.912 -5.355 -1.393 1.00 0.00 C ATOM 640 CD2 LEU A 43 1.654 -7.733 -1.240 1.00 0.00 C ATOM 0 H LEU A 43 1.044 -5.218 2.953 1.00 0.00 H new ATOM 0 HA LEU A 43 0.406 -7.733 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.673 -5.193 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.809 -6.476 0.627 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.047 -6.887 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.352 -5.589 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.420 -4.540 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.925 -5.055 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.093 -7.968 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.668 -7.436 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.692 -8.613 -0.598 1.00 0.00 H new ATOM 652 N ALA A 44 2.626 -7.712 3.763 1.00 0.00 N ATOM 653 CA ALA A 44 3.706 -8.513 4.399 1.00 0.00 C ATOM 654 C ALA A 44 3.384 -10.001 4.224 1.00 0.00 C ATOM 655 O ALA A 44 4.247 -10.851 4.325 1.00 0.00 O ATOM 656 CB ALA A 44 3.787 -8.176 5.889 1.00 0.00 C ATOM 0 H ALA A 44 2.177 -7.025 4.369 1.00 0.00 H new ATOM 0 HA ALA A 44 4.663 -8.283 3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.579 -8.764 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.004 -7.115 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.835 -8.408 6.367 1.00 0.00 H new ATOM 662 N SER A 45 2.143 -10.321 3.955 1.00 0.00 N ATOM 663 CA SER A 45 1.759 -11.751 3.763 1.00 0.00 C ATOM 664 C SER A 45 1.937 -12.126 2.286 1.00 0.00 C ATOM 665 O SER A 45 2.178 -13.269 1.956 1.00 0.00 O ATOM 666 CB SER A 45 0.297 -11.946 4.171 1.00 0.00 C ATOM 667 OG SER A 45 0.037 -11.201 5.354 1.00 0.00 O ATOM 0 H SER A 45 1.379 -9.652 3.860 1.00 0.00 H new ATOM 0 HA SER A 45 2.392 -12.388 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.364 -11.618 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.092 -13.003 4.341 1.00 0.00 H new ATOM 0 HG SER A 45 -0.899 -11.322 5.618 1.00 0.00 H new ATOM 673 N LYS A 46 1.815 -11.160 1.409 1.00 0.00 N ATOM 674 CA LYS A 46 1.975 -11.407 -0.061 1.00 0.00 C ATOM 675 C LYS A 46 0.619 -11.762 -0.673 1.00 0.00 C ATOM 676 O LYS A 46 0.380 -12.888 -1.059 1.00 0.00 O ATOM 677 CB LYS A 46 2.967 -12.551 -0.313 1.00 0.00 C ATOM 678 CG LYS A 46 4.185 -12.393 0.602 1.00 0.00 C ATOM 679 CD LYS A 46 5.465 -12.539 -0.224 1.00 0.00 C ATOM 680 CE LYS A 46 6.163 -13.852 0.139 1.00 0.00 C ATOM 681 NZ LYS A 46 5.325 -15.004 -0.300 1.00 0.00 N ATOM 0 H LYS A 46 1.607 -10.192 1.653 1.00 0.00 H new ATOM 0 HA LYS A 46 2.362 -10.500 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.484 -13.511 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.282 -12.548 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.163 -11.418 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.161 -13.145 1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.227 -12.524 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.131 -11.697 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.142 -13.899 -0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.331 -13.901 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.858 -15.888 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.457 -15.040 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.074 -14.888 -1.303 1.00 0.00 H new ATOM 695 N THR A 47 -0.279 -10.814 -0.750 1.00 0.00 N ATOM 696 CA THR A 47 -1.621 -11.116 -1.320 1.00 0.00 C ATOM 697 C THR A 47 -1.740 -10.602 -2.759 1.00 0.00 C ATOM 698 O THR A 47 -1.443 -11.321 -3.693 1.00 0.00 O ATOM 699 CB THR A 47 -2.702 -10.474 -0.449 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.088 -9.647 0.530 1.00 0.00 O ATOM 701 CG2 THR A 47 -3.519 -11.569 0.241 1.00 0.00 C ATOM 0 H THR A 47 -0.140 -9.851 -0.444 1.00 0.00 H new ATOM 0 HA THR A 47 -1.753 -12.198 -1.335 1.00 0.00 H new ATOM 0 HB THR A 47 -3.362 -9.870 -1.071 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.724 -8.962 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.289 -11.112 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.988 -12.202 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.862 -12.174 0.865 1.00 0.00 H new ATOM 709 N PRO A 48 -2.197 -9.386 -2.894 1.00 0.00 N ATOM 710 CA PRO A 48 -2.366 -8.839 -4.260 1.00 0.00 C ATOM 711 C PRO A 48 -1.195 -9.239 -5.164 1.00 0.00 C ATOM 712 O PRO A 48 -0.044 -9.086 -4.805 1.00 0.00 O ATOM 713 CB PRO A 48 -2.398 -7.328 -4.069 1.00 0.00 C ATOM 714 CG PRO A 48 -1.679 -7.049 -2.737 1.00 0.00 C ATOM 715 CD PRO A 48 -1.730 -8.354 -1.933 1.00 0.00 C ATOM 0 HA PRO A 48 -3.267 -9.219 -4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.899 -6.821 -4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.424 -6.961 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.648 -6.740 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.168 -6.240 -2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.749 -8.607 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.411 -8.268 -1.086 1.00 0.00 H new ATOM 723 N ASP A 49 -1.478 -9.747 -6.337 1.00 0.00 N ATOM 724 CA ASP A 49 -0.374 -10.145 -7.256 1.00 0.00 C ATOM 725 C ASP A 49 0.241 -8.891 -7.888 1.00 0.00 C ATOM 726 O ASP A 49 1.379 -8.896 -8.314 1.00 0.00 O ATOM 727 CB ASP A 49 -0.928 -11.053 -8.358 1.00 0.00 C ATOM 728 CG ASP A 49 -1.937 -12.032 -7.757 1.00 0.00 C ATOM 729 OD1 ASP A 49 -1.625 -12.622 -6.734 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.005 -12.177 -8.329 1.00 0.00 O ATOM 0 H ASP A 49 -2.421 -9.902 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 49 0.391 -10.682 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.406 -10.452 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.115 -11.600 -8.835 1.00 0.00 H new ATOM 735 N VAL A 50 -0.500 -7.817 -7.953 1.00 0.00 N ATOM 736 CA VAL A 50 0.050 -6.567 -8.556 1.00 0.00 C ATOM 737 C VAL A 50 -0.344 -5.367 -7.696 1.00 0.00 C ATOM 738 O VAL A 50 -1.509 -5.123 -7.445 1.00 0.00 O ATOM 739 CB VAL A 50 -0.503 -6.394 -9.979 1.00 0.00 C ATOM 740 CG1 VAL A 50 -0.496 -4.913 -10.384 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.374 -7.179 -10.950 1.00 0.00 C ATOM 0 H VAL A 50 -1.460 -7.751 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 50 1.137 -6.634 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.528 -6.762 -10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.891 -4.810 -11.395 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.117 -4.344 -9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.525 -4.532 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.011 -7.062 -11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.396 -6.802 -10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.364 -8.234 -10.677 1.00 0.00 H new ATOM 751 N LEU A 51 0.617 -4.615 -7.245 1.00 0.00 N ATOM 752 CA LEU A 51 0.290 -3.429 -6.408 1.00 0.00 C ATOM 753 C LEU A 51 0.393 -2.169 -7.258 1.00 0.00 C ATOM 754 O LEU A 51 1.357 -1.969 -7.970 1.00 0.00 O ATOM 755 CB LEU A 51 1.271 -3.335 -5.244 1.00 0.00 C ATOM 756 CG LEU A 51 0.716 -4.109 -4.051 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.662 -3.571 -3.672 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.612 -5.590 -4.409 1.00 0.00 C ATOM 0 H LEU A 51 1.611 -4.768 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.723 -3.529 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.240 -3.741 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.431 -2.292 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 51 1.388 -3.987 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.049 -4.130 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.581 -2.517 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.341 -3.682 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.216 -6.143 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.054 -5.712 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.600 -5.973 -4.663 1.00 0.00 H new ATOM 770 N LEU A 52 -0.587 -1.311 -7.198 1.00 0.00 N ATOM 771 CA LEU A 52 -0.513 -0.071 -8.016 1.00 0.00 C ATOM 772 C LEU A 52 -0.174 1.117 -7.115 1.00 0.00 C ATOM 773 O LEU A 52 -0.266 1.040 -5.906 1.00 0.00 O ATOM 774 CB LEU A 52 -1.855 0.185 -8.714 1.00 0.00 C ATOM 775 CG LEU A 52 -2.358 -1.083 -9.428 1.00 0.00 C ATOM 776 CD1 LEU A 52 -3.177 -0.673 -10.654 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.183 -1.953 -9.883 1.00 0.00 C ATOM 0 H LEU A 52 -1.425 -1.413 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 52 0.263 -0.193 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.593 0.511 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.744 0.994 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.971 -1.657 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.537 -1.565 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.027 -0.068 -10.338 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.551 -0.093 -11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.562 -2.843 -10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.557 -1.387 -10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.592 -2.249 -9.016 1.00 0.00 H new ATOM 789 N SER A 53 0.215 2.218 -7.695 1.00 0.00 N ATOM 790 CA SER A 53 0.557 3.414 -6.876 1.00 0.00 C ATOM 791 C SER A 53 0.079 4.671 -7.603 1.00 0.00 C ATOM 792 O SER A 53 0.615 5.048 -8.627 1.00 0.00 O ATOM 793 CB SER A 53 2.072 3.480 -6.676 1.00 0.00 C ATOM 794 OG SER A 53 2.510 2.296 -6.020 1.00 0.00 O ATOM 0 H SER A 53 0.311 2.341 -8.703 1.00 0.00 H new ATOM 0 HA SER A 53 0.070 3.346 -5.903 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.574 3.584 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.335 4.356 -6.084 1.00 0.00 H new ATOM 0 HG SER A 53 3.481 2.333 -5.891 1.00 0.00 H new ATOM 800 N ASP A 54 -0.930 5.319 -7.091 1.00 0.00 N ATOM 801 CA ASP A 54 -1.439 6.545 -7.766 1.00 0.00 C ATOM 802 C ASP A 54 -0.562 7.743 -7.383 1.00 0.00 C ATOM 803 O ASP A 54 0.268 7.658 -6.500 1.00 0.00 O ATOM 804 CB ASP A 54 -2.880 6.808 -7.327 1.00 0.00 C ATOM 805 CG ASP A 54 -3.824 6.588 -8.511 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.706 5.558 -9.155 1.00 0.00 O ATOM 807 OD2 ASP A 54 -4.650 7.452 -8.754 1.00 0.00 O ATOM 0 H ASP A 54 -1.422 5.054 -6.238 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.408 6.403 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.148 6.143 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.978 7.828 -6.955 1.00 0.00 H new ATOM 812 N ILE A 55 -0.742 8.859 -8.040 1.00 0.00 N ATOM 813 CA ILE A 55 0.077 10.064 -7.716 1.00 0.00 C ATOM 814 C ILE A 55 -0.850 11.269 -7.530 1.00 0.00 C ATOM 815 O ILE A 55 -1.252 11.906 -8.483 1.00 0.00 O ATOM 816 CB ILE A 55 1.052 10.344 -8.865 1.00 0.00 C ATOM 817 CG1 ILE A 55 1.643 11.751 -8.720 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.310 10.244 -10.198 1.00 0.00 C ATOM 819 CD1 ILE A 55 2.588 11.788 -7.519 1.00 0.00 C ATOM 0 H ILE A 55 -1.423 8.988 -8.789 1.00 0.00 H new ATOM 0 HA ILE A 55 0.639 9.888 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 55 1.858 9.611 -8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.181 12.026 -9.627 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.844 12.481 -8.590 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.003 10.443 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.105 9.242 -10.309 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.498 10.976 -10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.008 12.789 -7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.037 11.532 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.394 11.070 -7.668 1.00 0.00 H new ATOM 831 N ARG A 56 -1.191 11.585 -6.312 1.00 0.00 N ATOM 832 CA ARG A 56 -2.090 12.748 -6.072 1.00 0.00 C ATOM 833 C ARG A 56 -2.243 12.970 -4.567 1.00 0.00 C ATOM 834 O ARG A 56 -3.267 12.673 -3.984 1.00 0.00 O ATOM 835 CB ARG A 56 -3.461 12.469 -6.695 1.00 0.00 C ATOM 836 CG ARG A 56 -4.265 13.768 -6.770 1.00 0.00 C ATOM 837 CD ARG A 56 -5.478 13.671 -5.842 1.00 0.00 C ATOM 838 NE ARG A 56 -6.548 14.592 -6.321 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.607 14.113 -6.916 1.00 0.00 C ATOM 840 NH1 ARG A 56 -8.321 13.190 -6.331 1.00 0.00 N ATOM 841 NH2 ARG A 56 -7.953 14.559 -8.092 1.00 0.00 N ATOM 0 H ARG A 56 -0.887 11.089 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.662 13.641 -6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.339 12.047 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.999 11.731 -6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.639 14.613 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.591 13.948 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.850 12.647 -5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.191 13.930 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.453 15.598 -6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.051 12.844 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.149 12.815 -6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.396 15.282 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.780 14.184 -8.556 1.00 0.00 H new ATOM 855 N MET A 57 -1.227 13.490 -3.934 1.00 0.00 N ATOM 856 CA MET A 57 -1.302 13.733 -2.465 1.00 0.00 C ATOM 857 C MET A 57 -0.769 15.134 -2.152 1.00 0.00 C ATOM 858 O MET A 57 -0.227 15.799 -3.013 1.00 0.00 O ATOM 859 CB MET A 57 -0.452 12.692 -1.733 1.00 0.00 C ATOM 860 CG MET A 57 -1.200 11.359 -1.688 1.00 0.00 C ATOM 861 SD MET A 57 -0.588 10.372 -0.297 1.00 0.00 S ATOM 862 CE MET A 57 0.660 9.434 -1.212 1.00 0.00 C ATOM 0 H MET A 57 -0.346 13.758 -4.372 1.00 0.00 H new ATOM 0 HA MET A 57 -2.338 13.655 -2.136 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.505 12.567 -2.240 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.234 13.032 -0.721 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.271 11.534 -1.581 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.057 10.817 -2.623 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.331 8.940 -0.510 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.169 8.685 -1.833 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.233 10.112 -1.845 1.00 0.00 H new ATOM 872 N PRO A 58 -0.938 15.532 -0.921 1.00 0.00 N ATOM 873 CA PRO A 58 -0.453 16.872 -0.523 1.00 0.00 C ATOM 874 C PRO A 58 0.918 16.759 0.152 1.00 0.00 C ATOM 875 O PRO A 58 1.188 15.820 0.876 1.00 0.00 O ATOM 876 CB PRO A 58 -1.500 17.380 0.468 1.00 0.00 C ATOM 877 CG PRO A 58 -2.206 16.131 1.025 1.00 0.00 C ATOM 878 CD PRO A 58 -1.964 15.002 0.010 1.00 0.00 C ATOM 0 HA PRO A 58 -0.331 17.543 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.032 17.952 1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.212 18.043 -0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.807 15.864 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.273 16.314 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.616 14.095 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.881 14.745 -0.519 1.00 0.00 H new ATOM 886 N GLY A 59 1.783 17.708 -0.080 1.00 0.00 N ATOM 887 CA GLY A 59 3.134 17.654 0.548 1.00 0.00 C ATOM 888 C GLY A 59 4.186 17.380 -0.529 1.00 0.00 C ATOM 889 O GLY A 59 3.890 17.352 -1.707 1.00 0.00 O ATOM 0 H GLY A 59 1.613 18.518 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.351 18.596 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.163 16.872 1.307 1.00 0.00 H new ATOM 893 N MET A 60 5.414 17.180 -0.135 1.00 0.00 N ATOM 894 CA MET A 60 6.485 16.911 -1.137 1.00 0.00 C ATOM 895 C MET A 60 6.143 15.644 -1.930 1.00 0.00 C ATOM 896 O MET A 60 6.189 14.545 -1.413 1.00 0.00 O ATOM 897 CB MET A 60 7.821 16.719 -0.416 1.00 0.00 C ATOM 898 CG MET A 60 8.832 17.750 -0.925 1.00 0.00 C ATOM 899 SD MET A 60 8.987 17.607 -2.722 1.00 0.00 S ATOM 900 CE MET A 60 9.984 19.094 -2.982 1.00 0.00 C ATOM 0 H MET A 60 5.722 17.191 0.837 1.00 0.00 H new ATOM 0 HA MET A 60 6.560 17.755 -1.822 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.684 16.829 0.660 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.197 15.710 -0.588 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.509 18.756 -0.656 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.801 17.589 -0.452 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.202 19.205 -4.044 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.434 19.967 -2.631 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.918 19.007 -2.427 1.00 0.00 H new ATOM 910 N ASP A 61 5.808 15.789 -3.184 1.00 0.00 N ATOM 911 CA ASP A 61 5.472 14.597 -4.014 1.00 0.00 C ATOM 912 C ASP A 61 4.111 14.034 -3.594 1.00 0.00 C ATOM 913 O ASP A 61 3.350 14.675 -2.898 1.00 0.00 O ATOM 914 CB ASP A 61 6.547 13.524 -3.824 1.00 0.00 C ATOM 915 CG ASP A 61 7.263 13.277 -5.153 1.00 0.00 C ATOM 916 OD1 ASP A 61 7.950 14.176 -5.609 1.00 0.00 O ATOM 917 OD2 ASP A 61 7.113 12.192 -5.691 1.00 0.00 O ATOM 0 H ASP A 61 5.753 16.684 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 61 5.429 14.892 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.263 13.842 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.094 12.600 -3.466 1.00 0.00 H new ATOM 922 N GLY A 62 3.801 12.838 -4.019 1.00 0.00 N ATOM 923 CA GLY A 62 2.490 12.228 -3.653 1.00 0.00 C ATOM 924 C GLY A 62 2.273 10.956 -4.472 1.00 0.00 C ATOM 925 O GLY A 62 1.182 10.680 -4.930 1.00 0.00 O ATOM 0 H GLY A 62 4.400 12.257 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.470 11.996 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.683 12.936 -3.840 1.00 0.00 H new ATOM 929 N LEU A 63 3.303 10.178 -4.664 1.00 0.00 N ATOM 930 CA LEU A 63 3.153 8.926 -5.457 1.00 0.00 C ATOM 931 C LEU A 63 3.154 7.720 -4.515 1.00 0.00 C ATOM 932 O LEU A 63 4.037 6.887 -4.560 1.00 0.00 O ATOM 933 CB LEU A 63 4.315 8.805 -6.446 1.00 0.00 C ATOM 934 CG LEU A 63 4.152 7.535 -7.288 1.00 0.00 C ATOM 935 CD1 LEU A 63 2.923 7.664 -8.190 1.00 0.00 C ATOM 936 CD2 LEU A 63 5.395 7.339 -8.156 1.00 0.00 C ATOM 0 H LEU A 63 4.241 10.356 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 63 2.212 8.955 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.345 9.681 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.262 8.775 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 63 4.025 6.679 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.812 6.758 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.034 7.805 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.046 8.521 -8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.281 6.436 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.518 8.199 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.273 7.242 -7.517 1.00 0.00 H new ATOM 948 N ALA A 64 2.167 7.619 -3.665 1.00 0.00 N ATOM 949 CA ALA A 64 2.105 6.466 -2.724 1.00 0.00 C ATOM 950 C ALA A 64 3.500 6.178 -2.165 1.00 0.00 C ATOM 951 O ALA A 64 4.330 7.058 -2.054 1.00 0.00 O ATOM 952 CB ALA A 64 1.591 5.232 -3.467 1.00 0.00 C ATOM 0 H ALA A 64 1.401 8.287 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 64 1.431 6.707 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.545 4.387 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.595 5.434 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.266 4.995 -4.289 1.00 0.00 H new ATOM 958 N LEU A 65 3.763 4.949 -1.815 1.00 0.00 N ATOM 959 CA LEU A 65 5.102 4.598 -1.267 1.00 0.00 C ATOM 960 C LEU A 65 5.675 3.419 -2.051 1.00 0.00 C ATOM 961 O LEU A 65 5.764 2.319 -1.551 1.00 0.00 O ATOM 962 CB LEU A 65 4.965 4.216 0.210 1.00 0.00 C ATOM 963 CG LEU A 65 5.821 5.155 1.061 1.00 0.00 C ATOM 964 CD1 LEU A 65 5.510 6.606 0.691 1.00 0.00 C ATOM 965 CD2 LEU A 65 5.508 4.929 2.542 1.00 0.00 C ATOM 0 H LEU A 65 3.106 4.172 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 65 5.771 5.454 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.921 4.279 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.280 3.183 0.360 1.00 0.00 H new ATOM 0 HG LEU A 65 6.876 4.951 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.120 7.275 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.733 6.768 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.455 6.810 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.118 5.598 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.453 5.132 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.730 3.895 2.807 1.00 0.00 H new ATOM 977 N LEU A 66 6.060 3.637 -3.280 1.00 0.00 N ATOM 978 CA LEU A 66 6.622 2.514 -4.086 1.00 0.00 C ATOM 979 C LEU A 66 8.014 2.148 -3.562 1.00 0.00 C ATOM 980 O LEU A 66 8.246 1.031 -3.141 1.00 0.00 O ATOM 981 CB LEU A 66 6.708 2.904 -5.567 1.00 0.00 C ATOM 982 CG LEU A 66 7.158 4.359 -5.718 1.00 0.00 C ATOM 983 CD1 LEU A 66 8.401 4.414 -6.606 1.00 0.00 C ATOM 984 CD2 LEU A 66 6.036 5.166 -6.370 1.00 0.00 C ATOM 0 H LEU A 66 6.011 4.537 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 66 5.962 1.652 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.409 2.246 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.736 2.768 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 66 7.390 4.776 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.724 5.449 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.201 3.831 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.166 4.001 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.351 6.204 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.811 4.749 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.145 5.122 -5.744 1.00 0.00 H new ATOM 996 N LYS A 67 8.946 3.069 -3.571 1.00 0.00 N ATOM 997 CA LYS A 67 10.306 2.742 -3.059 1.00 0.00 C ATOM 998 C LYS A 67 10.153 2.012 -1.728 1.00 0.00 C ATOM 999 O LYS A 67 10.934 1.144 -1.383 1.00 0.00 O ATOM 1000 CB LYS A 67 11.115 4.029 -2.861 1.00 0.00 C ATOM 1001 CG LYS A 67 10.345 4.995 -1.959 1.00 0.00 C ATOM 1002 CD LYS A 67 9.568 5.989 -2.823 1.00 0.00 C ATOM 1003 CE LYS A 67 9.599 7.369 -2.167 1.00 0.00 C ATOM 1004 NZ LYS A 67 8.210 7.789 -1.826 1.00 0.00 N ATOM 0 H LYS A 67 8.823 4.024 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 67 10.834 2.111 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.083 3.796 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.312 4.497 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.660 4.442 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.035 5.527 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.005 6.039 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.537 5.655 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.213 7.342 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.054 8.094 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.231 8.728 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.637 7.831 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.791 7.102 -1.167 1.00 0.00 H new ATOM 1018 N GLN A 68 9.126 2.337 -0.989 1.00 0.00 N ATOM 1019 CA GLN A 68 8.892 1.647 0.301 1.00 0.00 C ATOM 1020 C GLN A 68 8.546 0.185 -0.029 1.00 0.00 C ATOM 1021 O GLN A 68 9.206 -0.732 0.416 1.00 0.00 O ATOM 1022 CB GLN A 68 7.765 2.392 1.065 1.00 0.00 C ATOM 1023 CG GLN A 68 6.568 1.489 1.373 1.00 0.00 C ATOM 1024 CD GLN A 68 6.999 0.383 2.333 1.00 0.00 C ATOM 1025 OE1 GLN A 68 6.707 -0.850 2.046 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 7.606 0.645 3.353 1.00 0.00 N flip ATOM 0 H GLN A 68 8.440 3.053 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 68 9.765 1.652 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.165 2.790 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.430 3.243 0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.761 2.074 1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.180 1.055 0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.834 1.614 3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.887 -0.104 3.986 1.00 0.00 H new ATOM 1035 N ILE A 69 7.522 -0.026 -0.815 1.00 0.00 N ATOM 1036 CA ILE A 69 7.120 -1.411 -1.200 1.00 0.00 C ATOM 1037 C ILE A 69 8.371 -2.266 -1.437 1.00 0.00 C ATOM 1038 O ILE A 69 8.629 -3.217 -0.728 1.00 0.00 O ATOM 1039 CB ILE A 69 6.280 -1.306 -2.492 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.799 -1.225 -2.115 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.494 -2.521 -3.403 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.013 -0.571 -3.253 1.00 0.00 C ATOM 0 H ILE A 69 6.940 0.712 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 69 6.537 -1.884 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 69 6.594 -0.413 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.409 -2.223 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.678 -0.648 -1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.887 -2.413 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.546 -2.587 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.201 -3.428 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.959 -0.515 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.396 0.434 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.123 -1.166 -4.160 1.00 0.00 H new ATOM 1054 N LYS A 70 9.147 -1.932 -2.433 1.00 0.00 N ATOM 1055 CA LYS A 70 10.377 -2.721 -2.721 1.00 0.00 C ATOM 1056 C LYS A 70 11.087 -3.044 -1.407 1.00 0.00 C ATOM 1057 O LYS A 70 11.214 -4.192 -1.030 1.00 0.00 O ATOM 1058 CB LYS A 70 11.310 -1.905 -3.617 1.00 0.00 C ATOM 1059 CG LYS A 70 10.924 -2.111 -5.083 1.00 0.00 C ATOM 1060 CD LYS A 70 11.860 -3.141 -5.719 1.00 0.00 C ATOM 1061 CE LYS A 70 11.119 -4.469 -5.892 1.00 0.00 C ATOM 1062 NZ LYS A 70 10.889 -4.723 -7.341 1.00 0.00 N ATOM 0 H LYS A 70 8.981 -1.145 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 70 10.107 -3.647 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.246 -0.848 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.344 -2.210 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.891 -2.451 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.986 -1.166 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.211 -2.780 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.741 -3.283 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.701 -5.282 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.167 -4.439 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.386 -5.625 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.318 -3.952 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.803 -4.769 -7.835 1.00 0.00 H new ATOM 1076 N GLN A 71 11.562 -2.035 -0.721 1.00 0.00 N ATOM 1077 CA GLN A 71 12.283 -2.256 0.568 1.00 0.00 C ATOM 1078 C GLN A 71 11.690 -3.451 1.320 1.00 0.00 C ATOM 1079 O GLN A 71 12.405 -4.271 1.862 1.00 0.00 O ATOM 1080 CB GLN A 71 12.148 -1.003 1.435 1.00 0.00 C ATOM 1081 CG GLN A 71 13.539 -0.510 1.835 1.00 0.00 C ATOM 1082 CD GLN A 71 14.371 -0.260 0.577 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.830 -0.043 -0.490 1.00 0.00 O ATOM 1084 NE2 GLN A 71 15.673 -0.280 0.655 1.00 0.00 N ATOM 0 H GLN A 71 11.480 -1.058 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 71 13.332 -2.461 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.618 -0.224 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.559 -1.225 2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.458 0.407 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.030 -1.249 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.128 -0.462 1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.236 -0.114 -0.179 1.00 0.00 H new ATOM 1093 N ARG A 72 10.390 -3.554 1.366 1.00 0.00 N ATOM 1094 CA ARG A 72 9.759 -4.693 2.093 1.00 0.00 C ATOM 1095 C ARG A 72 8.586 -5.249 1.281 1.00 0.00 C ATOM 1096 O ARG A 72 7.458 -5.248 1.727 1.00 0.00 O ATOM 1097 CB ARG A 72 9.254 -4.200 3.446 1.00 0.00 C ATOM 1098 CG ARG A 72 10.066 -4.862 4.560 1.00 0.00 C ATOM 1099 CD ARG A 72 10.582 -3.791 5.523 1.00 0.00 C ATOM 1100 NE ARG A 72 10.113 -4.095 6.903 1.00 0.00 N ATOM 1101 CZ ARG A 72 8.890 -4.501 7.102 1.00 0.00 C ATOM 1102 NH1 ARG A 72 7.935 -4.105 6.304 1.00 0.00 N ATOM 1103 NH2 ARG A 72 8.621 -5.302 8.096 1.00 0.00 N ATOM 0 H ARG A 72 9.738 -2.900 0.933 1.00 0.00 H new ATOM 0 HA ARG A 72 10.495 -5.484 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.346 -3.116 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.196 -4.437 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.447 -5.581 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.902 -5.416 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.671 -3.758 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.226 -2.808 5.215 1.00 0.00 H new ATOM 0 HE ARG A 72 10.749 -3.986 7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.147 -3.479 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.978 -4.422 6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.368 -5.611 8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.664 -5.619 8.251 1.00 0.00 H new ATOM 1117 N HIS A 73 8.849 -5.722 0.092 1.00 0.00 N ATOM 1118 CA HIS A 73 7.761 -6.280 -0.768 1.00 0.00 C ATOM 1119 C HIS A 73 8.390 -7.250 -1.780 1.00 0.00 C ATOM 1120 O HIS A 73 9.373 -6.920 -2.413 1.00 0.00 O ATOM 1121 CB HIS A 73 7.083 -5.116 -1.502 1.00 0.00 C ATOM 1122 CG HIS A 73 5.785 -5.550 -2.136 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.595 -5.502 -3.509 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.593 -5.991 -1.610 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.334 -5.899 -3.758 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.680 -6.208 -2.637 1.00 0.00 N ATOM 0 H HIS A 73 9.779 -5.746 -0.325 1.00 0.00 H new ATOM 0 HA HIS A 73 7.021 -6.813 -0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.894 -4.302 -0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.753 -4.727 -2.269 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.286 -5.217 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.396 -6.145 -0.559 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.903 -5.960 -4.746 1.00 0.00 H new ATOM 1134 N PRO A 74 7.817 -8.425 -1.889 1.00 0.00 N ATOM 1135 CA PRO A 74 8.394 -9.406 -2.838 1.00 0.00 C ATOM 1136 C PRO A 74 8.552 -8.779 -4.228 1.00 0.00 C ATOM 1137 O PRO A 74 8.394 -7.587 -4.404 1.00 0.00 O ATOM 1138 CB PRO A 74 7.390 -10.556 -2.867 1.00 0.00 C ATOM 1139 CG PRO A 74 6.047 -9.967 -2.403 1.00 0.00 C ATOM 1140 CD PRO A 74 6.375 -8.671 -1.648 1.00 0.00 C ATOM 0 HA PRO A 74 9.387 -9.740 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.306 -10.974 -3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.707 -11.366 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.397 -9.766 -3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.518 -10.668 -1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.769 -7.841 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.167 -8.774 -0.583 1.00 0.00 H new ATOM 1148 N MET A 75 8.878 -9.569 -5.214 1.00 0.00 N ATOM 1149 CA MET A 75 9.065 -9.009 -6.582 1.00 0.00 C ATOM 1150 C MET A 75 7.783 -9.152 -7.407 1.00 0.00 C ATOM 1151 O MET A 75 7.817 -9.584 -8.541 1.00 0.00 O ATOM 1152 CB MET A 75 10.203 -9.754 -7.285 1.00 0.00 C ATOM 1153 CG MET A 75 11.473 -9.663 -6.439 1.00 0.00 C ATOM 1154 SD MET A 75 12.156 -7.991 -6.557 1.00 0.00 S ATOM 1155 CE MET A 75 13.180 -8.057 -5.067 1.00 0.00 C ATOM 0 H MET A 75 9.023 -10.575 -5.132 1.00 0.00 H new ATOM 0 HA MET A 75 9.308 -7.950 -6.494 1.00 0.00 H new ATOM 0 HB2 MET A 75 9.929 -10.798 -7.437 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.379 -9.324 -8.271 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.249 -9.904 -5.400 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.206 -10.392 -6.784 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.703 -7.109 -4.943 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.547 -8.239 -4.198 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.908 -8.863 -5.161 1.00 0.00 H new ATOM 1165 N LEU A 76 6.655 -8.775 -6.867 1.00 0.00 N ATOM 1166 CA LEU A 76 5.398 -8.880 -7.660 1.00 0.00 C ATOM 1167 C LEU A 76 5.180 -7.554 -8.404 1.00 0.00 C ATOM 1168 O LEU A 76 5.134 -6.502 -7.798 1.00 0.00 O ATOM 1169 CB LEU A 76 4.211 -9.182 -6.740 1.00 0.00 C ATOM 1170 CG LEU A 76 3.868 -7.956 -5.898 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.831 -7.106 -6.633 1.00 0.00 C ATOM 1172 CD2 LEU A 76 3.288 -8.414 -4.559 1.00 0.00 C ATOM 0 H LEU A 76 6.550 -8.403 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 76 5.479 -9.696 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.347 -9.476 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.451 -10.023 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 76 4.768 -7.365 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.586 -6.230 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.237 -6.785 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.929 -7.695 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.041 -7.543 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.387 -9.001 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.023 -9.025 -4.034 1.00 0.00 H new ATOM 1184 N PRO A 77 5.087 -7.656 -9.706 1.00 0.00 N ATOM 1185 CA PRO A 77 4.913 -6.438 -10.536 1.00 0.00 C ATOM 1186 C PRO A 77 4.066 -5.364 -9.835 1.00 0.00 C ATOM 1187 O PRO A 77 3.152 -5.650 -9.078 1.00 0.00 O ATOM 1188 CB PRO A 77 4.224 -6.936 -11.807 1.00 0.00 C ATOM 1189 CG PRO A 77 3.536 -8.261 -11.437 1.00 0.00 C ATOM 1190 CD PRO A 77 4.243 -8.784 -10.178 1.00 0.00 C ATOM 0 HA PRO A 77 5.869 -5.954 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.497 -6.208 -12.165 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.948 -7.085 -12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.473 -8.107 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.615 -8.980 -12.253 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.522 -9.081 -9.417 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.849 -9.662 -10.403 1.00 0.00 H new ATOM 1198 N VAL A 78 4.376 -4.120 -10.102 1.00 0.00 N ATOM 1199 CA VAL A 78 3.623 -2.989 -9.490 1.00 0.00 C ATOM 1200 C VAL A 78 3.294 -1.971 -10.587 1.00 0.00 C ATOM 1201 O VAL A 78 4.168 -1.487 -11.277 1.00 0.00 O ATOM 1202 CB VAL A 78 4.480 -2.303 -8.419 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.038 -2.765 -7.031 1.00 0.00 C ATOM 1204 CG2 VAL A 78 5.959 -2.650 -8.626 1.00 0.00 C ATOM 0 H VAL A 78 5.131 -3.839 -10.728 1.00 0.00 H new ATOM 0 HA VAL A 78 2.710 -3.368 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 78 4.351 -1.224 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.649 -2.275 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.991 -2.504 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.158 -3.845 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.559 -2.158 -7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.093 -3.729 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.278 -2.310 -9.611 1.00 0.00 H new ATOM 1214 N ILE A 79 2.045 -1.645 -10.757 1.00 0.00 N ATOM 1215 CA ILE A 79 1.669 -0.663 -11.816 1.00 0.00 C ATOM 1216 C ILE A 79 1.715 0.756 -11.232 1.00 0.00 C ATOM 1217 O ILE A 79 1.211 1.014 -10.160 1.00 0.00 O ATOM 1218 CB ILE A 79 0.262 -1.017 -12.343 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.328 -1.223 -13.857 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.758 0.088 -12.030 1.00 0.00 C ATOM 1221 CD1 ILE A 79 0.891 0.034 -14.523 1.00 0.00 C ATOM 0 H ILE A 79 1.267 -2.014 -10.210 1.00 0.00 H new ATOM 0 HA ILE A 79 2.370 -0.704 -12.650 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.064 -1.930 -11.844 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.957 -2.083 -14.090 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.666 -1.440 -14.248 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.736 -0.199 -12.417 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.822 0.229 -10.951 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.441 1.019 -12.499 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.937 -0.115 -15.602 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.245 0.884 -14.302 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.893 0.231 -14.141 1.00 0.00 H new ATOM 1233 N ILE A 80 2.321 1.674 -11.931 1.00 0.00 N ATOM 1234 CA ILE A 80 2.400 3.067 -11.411 1.00 0.00 C ATOM 1235 C ILE A 80 1.698 4.018 -12.392 1.00 0.00 C ATOM 1236 O ILE A 80 1.806 3.880 -13.593 1.00 0.00 O ATOM 1237 CB ILE A 80 3.886 3.443 -11.223 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.099 3.947 -9.795 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.321 4.534 -12.213 1.00 0.00 C ATOM 1240 CD1 ILE A 80 4.432 2.764 -8.882 1.00 0.00 C ATOM 0 H ILE A 80 2.764 1.521 -12.837 1.00 0.00 H new ATOM 0 HA ILE A 80 1.897 3.148 -10.447 1.00 0.00 H new ATOM 0 HB ILE A 80 4.488 2.554 -11.410 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.908 4.677 -9.772 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.202 4.454 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.372 4.773 -12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.183 4.176 -13.233 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.717 5.428 -12.058 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.584 3.122 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.608 2.050 -8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.341 2.277 -9.235 1.00 0.00 H new ATOM 1252 N MET A 81 0.984 4.986 -11.883 1.00 0.00 N ATOM 1253 CA MET A 81 0.282 5.947 -12.779 1.00 0.00 C ATOM 1254 C MET A 81 0.969 7.311 -12.689 1.00 0.00 C ATOM 1255 O MET A 81 0.952 7.957 -11.662 1.00 0.00 O ATOM 1256 CB MET A 81 -1.179 6.081 -12.341 1.00 0.00 C ATOM 1257 CG MET A 81 -2.089 6.043 -13.572 1.00 0.00 C ATOM 1258 SD MET A 81 -3.763 5.572 -13.073 1.00 0.00 S ATOM 1259 CE MET A 81 -3.571 3.788 -13.299 1.00 0.00 C ATOM 0 H MET A 81 0.857 5.152 -10.885 1.00 0.00 H new ATOM 0 HA MET A 81 0.319 5.584 -13.806 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.440 5.273 -11.658 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.323 7.016 -11.799 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.104 7.019 -14.056 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.702 5.331 -14.301 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.466 3.278 -12.943 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.425 3.569 -14.357 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.706 3.441 -12.734 1.00 0.00 H new ATOM 1269 N THR A 82 1.580 7.750 -13.754 1.00 0.00 N ATOM 1270 CA THR A 82 2.271 9.071 -13.724 1.00 0.00 C ATOM 1271 C THR A 82 3.181 9.137 -12.496 1.00 0.00 C ATOM 1272 O THR A 82 2.894 9.824 -11.536 1.00 0.00 O ATOM 1273 CB THR A 82 1.233 10.191 -13.651 1.00 0.00 C ATOM 1274 OG1 THR A 82 0.422 10.158 -14.818 1.00 0.00 O ATOM 1275 CG2 THR A 82 1.947 11.539 -13.562 1.00 0.00 C ATOM 0 H THR A 82 1.631 7.253 -14.643 1.00 0.00 H new ATOM 0 HA THR A 82 2.867 9.191 -14.628 1.00 0.00 H new ATOM 0 HB THR A 82 0.607 10.054 -12.769 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.246 10.874 -14.773 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.209 12.339 -13.510 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.571 11.562 -12.668 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.572 11.679 -14.444 1.00 0.00 H new ATOM 1283 N ALA A 83 4.274 8.427 -12.516 1.00 0.00 N ATOM 1284 CA ALA A 83 5.195 8.448 -11.347 1.00 0.00 C ATOM 1285 C ALA A 83 6.241 9.547 -11.529 1.00 0.00 C ATOM 1286 O ALA A 83 6.427 10.072 -12.610 1.00 0.00 O ATOM 1287 CB ALA A 83 5.899 7.095 -11.229 1.00 0.00 C ATOM 0 H ALA A 83 4.569 7.833 -13.291 1.00 0.00 H new ATOM 0 HA ALA A 83 4.620 8.644 -10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.574 7.109 -10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.156 6.309 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.469 6.901 -12.137 1.00 0.00 H new ATOM 1293 N HIS A 84 6.930 9.895 -10.477 1.00 0.00 N ATOM 1294 CA HIS A 84 7.973 10.954 -10.578 1.00 0.00 C ATOM 1295 C HIS A 84 8.821 10.949 -9.304 1.00 0.00 C ATOM 1296 O HIS A 84 9.835 10.284 -9.268 1.00 0.00 O ATOM 1297 CB HIS A 84 7.307 12.322 -10.784 1.00 0.00 C ATOM 1298 CG HIS A 84 8.011 13.061 -11.889 1.00 0.00 C ATOM 1299 ND1 HIS A 84 9.318 12.779 -12.253 1.00 0.00 N ATOM 1300 CD2 HIS A 84 7.603 14.076 -12.718 1.00 0.00 C ATOM 1301 CE1 HIS A 84 9.648 13.609 -13.259 1.00 0.00 C ATOM 1302 NE2 HIS A 84 8.639 14.420 -13.583 1.00 0.00 N ATOM 0 H HIS A 84 6.815 9.490 -9.548 1.00 0.00 H new ATOM 0 HA HIS A 84 8.620 10.757 -11.433 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.254 12.192 -11.032 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.348 12.901 -9.861 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.627 14.538 -12.702 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.612 13.618 -13.745 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.629 15.137 -14.308 1.00 0.00 H new ATOM 1310 N SER A 85 8.446 11.675 -8.260 1.00 0.00 N ATOM 1311 CA SER A 85 9.298 11.684 -7.023 1.00 0.00 C ATOM 1312 C SER A 85 10.739 11.724 -7.486 1.00 0.00 C ATOM 1313 O SER A 85 11.575 10.959 -7.051 1.00 0.00 O ATOM 1314 CB SER A 85 9.049 10.415 -6.207 1.00 0.00 C ATOM 1315 OG SER A 85 7.764 9.896 -6.528 1.00 0.00 O ATOM 0 H SER A 85 7.603 12.248 -8.217 1.00 0.00 H new ATOM 0 HA SER A 85 9.063 12.541 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.818 9.673 -6.423 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.109 10.636 -5.141 1.00 0.00 H new ATOM 0 HG SER A 85 7.075 10.536 -6.253 1.00 0.00 H new ATOM 1321 N ASP A 86 11.004 12.563 -8.445 1.00 0.00 N ATOM 1322 CA ASP A 86 12.355 12.591 -9.020 1.00 0.00 C ATOM 1323 C ASP A 86 12.495 11.261 -9.741 1.00 0.00 C ATOM 1324 O ASP A 86 12.123 10.233 -9.200 1.00 0.00 O ATOM 1325 CB ASP A 86 13.405 12.707 -7.912 1.00 0.00 C ATOM 1326 CG ASP A 86 14.748 13.111 -8.522 1.00 0.00 C ATOM 1327 OD1 ASP A 86 15.367 12.270 -9.152 1.00 0.00 O ATOM 1328 OD2 ASP A 86 15.134 14.256 -8.351 1.00 0.00 O ATOM 0 H ASP A 86 10.340 13.224 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 86 12.502 13.441 -9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.091 13.446 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.503 11.756 -7.388 1.00 0.00 H new ATOM 1333 N LEU A 87 12.963 11.255 -10.961 1.00 0.00 N ATOM 1334 CA LEU A 87 13.073 9.965 -11.704 1.00 0.00 C ATOM 1335 C LEU A 87 13.444 8.847 -10.724 1.00 0.00 C ATOM 1336 O LEU A 87 13.051 7.716 -10.873 1.00 0.00 O ATOM 1337 CB LEU A 87 14.141 10.092 -12.776 1.00 0.00 C ATOM 1338 CG LEU A 87 13.521 10.669 -14.050 1.00 0.00 C ATOM 1339 CD1 LEU A 87 14.620 10.921 -15.084 1.00 0.00 C ATOM 1340 CD2 LEU A 87 12.506 9.674 -14.617 1.00 0.00 C ATOM 0 H LEU A 87 13.272 12.081 -11.473 1.00 0.00 H new ATOM 0 HA LEU A 87 12.120 9.726 -12.176 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.947 10.738 -12.427 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.581 9.117 -12.983 1.00 0.00 H new ATOM 0 HG LEU A 87 13.020 11.608 -13.817 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.178 11.332 -15.992 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.344 11.629 -14.680 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.122 9.982 -15.318 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.063 10.084 -15.525 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.008 8.735 -14.850 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.723 9.494 -13.881 1.00 0.00 H new ATOM 1352 N ASP A 88 14.170 9.180 -9.692 1.00 0.00 N ATOM 1353 CA ASP A 88 14.537 8.171 -8.665 1.00 0.00 C ATOM 1354 C ASP A 88 13.384 7.186 -8.472 1.00 0.00 C ATOM 1355 O ASP A 88 13.484 6.022 -8.806 1.00 0.00 O ATOM 1356 CB ASP A 88 14.791 8.900 -7.343 1.00 0.00 C ATOM 1357 CG ASP A 88 16.194 8.570 -6.833 1.00 0.00 C ATOM 1358 OD1 ASP A 88 17.146 8.918 -7.511 1.00 0.00 O ATOM 1359 OD2 ASP A 88 16.293 7.976 -5.772 1.00 0.00 O ATOM 0 H ASP A 88 14.527 10.119 -9.517 1.00 0.00 H new ATOM 0 HA ASP A 88 15.426 7.627 -8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.689 9.976 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.046 8.604 -6.604 1.00 0.00 H new ATOM 1364 N ALA A 89 12.283 7.647 -7.947 1.00 0.00 N ATOM 1365 CA ALA A 89 11.125 6.737 -7.753 1.00 0.00 C ATOM 1366 C ALA A 89 10.510 6.432 -9.118 1.00 0.00 C ATOM 1367 O ALA A 89 9.868 5.418 -9.309 1.00 0.00 O ATOM 1368 CB ALA A 89 10.085 7.409 -6.854 1.00 0.00 C ATOM 0 H ALA A 89 12.137 8.611 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 89 11.454 5.812 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.237 6.738 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.532 7.635 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.744 8.333 -7.320 1.00 0.00 H new ATOM 1374 N ALA A 90 10.706 7.303 -10.076 1.00 0.00 N ATOM 1375 CA ALA A 90 10.133 7.056 -11.434 1.00 0.00 C ATOM 1376 C ALA A 90 10.903 5.913 -12.118 1.00 0.00 C ATOM 1377 O ALA A 90 10.414 4.806 -12.200 1.00 0.00 O ATOM 1378 CB ALA A 90 10.241 8.331 -12.272 1.00 0.00 C ATOM 0 H ALA A 90 11.235 8.170 -9.977 1.00 0.00 H new ATOM 0 HA ALA A 90 9.084 6.775 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.823 8.152 -13.263 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.688 9.134 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.289 8.617 -12.366 1.00 0.00 H new ATOM 1384 N VAL A 91 12.097 6.199 -12.604 1.00 0.00 N ATOM 1385 CA VAL A 91 12.962 5.179 -13.295 1.00 0.00 C ATOM 1386 C VAL A 91 12.418 3.755 -13.113 1.00 0.00 C ATOM 1387 O VAL A 91 12.137 3.067 -14.074 1.00 0.00 O ATOM 1388 CB VAL A 91 14.387 5.281 -12.718 1.00 0.00 C ATOM 1389 CG1 VAL A 91 15.136 3.953 -12.882 1.00 0.00 C ATOM 1390 CG2 VAL A 91 15.150 6.376 -13.465 1.00 0.00 C ATOM 0 H VAL A 91 12.518 7.126 -12.547 1.00 0.00 H new ATOM 0 HA VAL A 91 12.967 5.386 -14.365 1.00 0.00 H new ATOM 0 HB VAL A 91 14.319 5.518 -11.656 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.140 4.048 -12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.599 3.165 -12.355 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.203 3.701 -13.940 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.160 6.455 -13.063 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.200 6.126 -14.525 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.635 7.328 -13.341 1.00 0.00 H new ATOM 1400 N SER A 92 12.276 3.308 -11.895 1.00 0.00 N ATOM 1401 CA SER A 92 11.755 1.928 -11.657 1.00 0.00 C ATOM 1402 C SER A 92 10.616 1.628 -12.638 1.00 0.00 C ATOM 1403 O SER A 92 9.534 2.169 -12.530 1.00 0.00 O ATOM 1404 CB SER A 92 11.230 1.825 -10.225 1.00 0.00 C ATOM 1405 OG SER A 92 11.168 0.457 -9.844 1.00 0.00 O ATOM 0 H SER A 92 12.498 3.838 -11.052 1.00 0.00 H new ATOM 0 HA SER A 92 12.559 1.208 -11.807 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.882 2.374 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.242 2.279 -10.154 1.00 0.00 H new ATOM 0 HG SER A 92 10.303 0.274 -9.422 1.00 0.00 H new ATOM 1411 N ALA A 93 10.854 0.771 -13.596 1.00 0.00 N ATOM 1412 CA ALA A 93 9.787 0.441 -14.584 1.00 0.00 C ATOM 1413 C ALA A 93 10.341 -0.511 -15.647 1.00 0.00 C ATOM 1414 O ALA A 93 10.069 -1.695 -15.637 1.00 0.00 O ATOM 1415 CB ALA A 93 9.300 1.725 -15.258 1.00 0.00 C ATOM 0 H ALA A 93 11.740 0.286 -13.736 1.00 0.00 H new ATOM 0 HA ALA A 93 8.956 -0.039 -14.067 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.520 1.484 -15.980 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.899 2.402 -14.504 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.133 2.205 -15.771 1.00 0.00 H new ATOM 1421 N TYR A 94 11.113 -0.001 -16.567 1.00 0.00 N ATOM 1422 CA TYR A 94 11.681 -0.874 -17.637 1.00 0.00 C ATOM 1423 C TYR A 94 12.829 -1.715 -17.071 1.00 0.00 C ATOM 1424 O TYR A 94 13.307 -2.633 -17.708 1.00 0.00 O ATOM 1425 CB TYR A 94 12.213 0.001 -18.774 1.00 0.00 C ATOM 1426 CG TYR A 94 11.297 -0.106 -19.971 1.00 0.00 C ATOM 1427 CD1 TYR A 94 10.770 -1.349 -20.342 1.00 0.00 C ATOM 1428 CD2 TYR A 94 10.976 1.040 -20.709 1.00 0.00 C ATOM 1429 CE1 TYR A 94 9.921 -1.446 -21.453 1.00 0.00 C ATOM 1430 CE2 TYR A 94 10.127 0.943 -21.819 1.00 0.00 C ATOM 1431 CZ TYR A 94 9.601 -0.299 -22.191 1.00 0.00 C ATOM 1432 OH TYR A 94 8.764 -0.394 -23.285 1.00 0.00 O ATOM 0 H TYR A 94 11.376 0.983 -16.625 1.00 0.00 H new ATOM 0 HA TYR A 94 10.900 -1.536 -18.011 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.280 1.039 -18.447 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.221 -0.313 -19.046 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.018 -2.233 -19.772 1.00 0.00 H new ATOM 0 HD2 TYR A 94 11.383 1.998 -20.422 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.514 -2.404 -21.740 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.878 1.827 -22.388 1.00 0.00 H new ATOM 0 HH TYR A 94 8.644 0.493 -23.683 1.00 0.00 H new ATOM 1442 N GLN A 95 13.280 -1.409 -15.887 1.00 0.00 N ATOM 1443 CA GLN A 95 14.402 -2.192 -15.294 1.00 0.00 C ATOM 1444 C GLN A 95 13.879 -3.530 -14.765 1.00 0.00 C ATOM 1445 O GLN A 95 13.206 -3.591 -13.757 1.00 0.00 O ATOM 1446 CB GLN A 95 15.026 -1.398 -14.148 1.00 0.00 C ATOM 1447 CG GLN A 95 15.154 0.072 -14.554 1.00 0.00 C ATOM 1448 CD GLN A 95 16.601 0.532 -14.365 1.00 0.00 C ATOM 1449 OE1 GLN A 95 16.870 1.454 -13.480 1.00 0.00 O flip ATOM 1450 NE2 GLN A 95 17.497 0.050 -15.029 1.00 0.00 N flip ATOM 0 H GLN A 95 12.922 -0.652 -15.304 1.00 0.00 H new ATOM 0 HA GLN A 95 15.154 -2.380 -16.060 1.00 0.00 H new ATOM 0 HB2 GLN A 95 14.410 -1.487 -13.253 1.00 0.00 H new ATOM 0 HB3 GLN A 95 16.007 -1.805 -13.902 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.854 0.200 -15.594 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.485 0.686 -13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 95 17.289 -0.670 -15.721 1.00 0.00 H new ATOM 0 HE22 GLN A 95 18.458 0.365 -14.895 1.00 0.00 H new ATOM 1459 N GLN A 96 14.192 -4.603 -15.439 1.00 0.00 N ATOM 1460 CA GLN A 96 13.722 -5.942 -14.980 1.00 0.00 C ATOM 1461 C GLN A 96 12.198 -5.940 -14.844 1.00 0.00 C ATOM 1462 O GLN A 96 11.653 -6.418 -13.869 1.00 0.00 O ATOM 1463 CB GLN A 96 14.351 -6.265 -13.623 1.00 0.00 C ATOM 1464 CG GLN A 96 15.166 -7.555 -13.730 1.00 0.00 C ATOM 1465 CD GLN A 96 16.341 -7.338 -14.685 1.00 0.00 C ATOM 1466 OE1 GLN A 96 16.398 -7.933 -15.744 1.00 0.00 O ATOM 1467 NE2 GLN A 96 17.289 -6.506 -14.352 1.00 0.00 N ATOM 0 H GLN A 96 14.754 -4.610 -16.290 1.00 0.00 H new ATOM 0 HA GLN A 96 14.017 -6.695 -15.711 1.00 0.00 H new ATOM 0 HB2 GLN A 96 14.992 -5.443 -13.303 1.00 0.00 H new ATOM 0 HB3 GLN A 96 13.573 -6.376 -12.867 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.532 -7.849 -12.746 1.00 0.00 H new ATOM 0 HG3 GLN A 96 14.535 -8.367 -14.091 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.241 -6.007 -13.464 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.078 -6.354 -14.980 1.00 0.00 H new ATOM 1476 N GLY A 97 11.505 -5.408 -15.815 1.00 0.00 N ATOM 1477 CA GLY A 97 10.016 -5.380 -15.741 1.00 0.00 C ATOM 1478 C GLY A 97 9.576 -4.979 -14.332 1.00 0.00 C ATOM 1479 O GLY A 97 9.934 -3.930 -13.834 1.00 0.00 O ATOM 0 H GLY A 97 11.906 -4.992 -16.656 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.619 -4.674 -16.471 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.611 -6.360 -15.993 1.00 0.00 H new ATOM 1483 N ALA A 98 8.800 -5.806 -13.685 1.00 0.00 N ATOM 1484 CA ALA A 98 8.336 -5.472 -12.309 1.00 0.00 C ATOM 1485 C ALA A 98 7.589 -4.135 -12.333 1.00 0.00 C ATOM 1486 O ALA A 98 6.402 -4.085 -12.584 1.00 0.00 O ATOM 1487 CB ALA A 98 9.546 -5.369 -11.378 1.00 0.00 C ATOM 0 H ALA A 98 8.468 -6.698 -14.050 1.00 0.00 H new ATOM 0 HA ALA A 98 7.666 -6.253 -11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.210 -5.125 -10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.076 -6.322 -11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.216 -4.587 -11.737 1.00 0.00 H new ATOM 1493 N PHE A 99 8.273 -3.052 -12.078 1.00 0.00 N ATOM 1494 CA PHE A 99 7.595 -1.726 -12.092 1.00 0.00 C ATOM 1495 C PHE A 99 7.068 -1.450 -13.501 1.00 0.00 C ATOM 1496 O PHE A 99 7.357 -2.175 -14.432 1.00 0.00 O ATOM 1497 CB PHE A 99 8.595 -0.637 -11.699 1.00 0.00 C ATOM 1498 CG PHE A 99 8.475 -0.351 -10.221 1.00 0.00 C ATOM 1499 CD1 PHE A 99 9.142 -1.161 -9.294 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.697 0.727 -9.778 1.00 0.00 C ATOM 1501 CE1 PHE A 99 9.031 -0.893 -7.925 1.00 0.00 C ATOM 1502 CE2 PHE A 99 7.586 0.994 -8.408 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.253 0.184 -7.481 1.00 0.00 C ATOM 0 H PHE A 99 9.269 -3.029 -11.861 1.00 0.00 H new ATOM 0 HA PHE A 99 6.767 -1.728 -11.383 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.609 -0.957 -11.937 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.404 0.270 -12.272 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.742 -1.992 -9.635 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.183 1.352 -10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.546 -1.517 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.986 1.825 -8.066 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.168 0.389 -6.424 1.00 0.00 H new ATOM 1513 N ASP A 100 6.296 -0.411 -13.673 1.00 0.00 N ATOM 1514 CA ASP A 100 5.761 -0.108 -15.028 1.00 0.00 C ATOM 1515 C ASP A 100 5.328 1.358 -15.104 1.00 0.00 C ATOM 1516 O ASP A 100 4.672 1.870 -14.219 1.00 0.00 O ATOM 1517 CB ASP A 100 4.558 -1.008 -15.308 1.00 0.00 C ATOM 1518 CG ASP A 100 5.000 -2.197 -16.164 1.00 0.00 C ATOM 1519 OD1 ASP A 100 5.513 -1.964 -17.246 1.00 0.00 O ATOM 1520 OD2 ASP A 100 4.818 -3.319 -15.722 1.00 0.00 O ATOM 0 H ASP A 100 6.015 0.237 -12.937 1.00 0.00 H new ATOM 0 HA ASP A 100 6.539 -0.289 -15.770 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.128 -1.361 -14.371 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.780 -0.444 -15.823 1.00 0.00 H new ATOM 1525 N TYR A 101 5.690 2.034 -16.159 1.00 0.00 N ATOM 1526 CA TYR A 101 5.300 3.465 -16.304 1.00 0.00 C ATOM 1527 C TYR A 101 3.978 3.549 -17.070 1.00 0.00 C ATOM 1528 O TYR A 101 3.954 3.531 -18.285 1.00 0.00 O ATOM 1529 CB TYR A 101 6.388 4.214 -17.076 1.00 0.00 C ATOM 1530 CG TYR A 101 6.599 5.574 -16.456 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.278 5.689 -15.238 1.00 0.00 C ATOM 1532 CD2 TYR A 101 6.114 6.720 -17.098 1.00 0.00 C ATOM 1533 CE1 TYR A 101 7.472 6.947 -14.661 1.00 0.00 C ATOM 1534 CE2 TYR A 101 6.309 7.979 -16.520 1.00 0.00 C ATOM 1535 CZ TYR A 101 6.987 8.093 -15.301 1.00 0.00 C ATOM 1536 OH TYR A 101 7.178 9.335 -14.732 1.00 0.00 O ATOM 0 H TYR A 101 6.241 1.656 -16.930 1.00 0.00 H new ATOM 0 HA TYR A 101 5.182 3.916 -15.319 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.318 3.646 -17.058 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.099 4.320 -18.122 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.652 4.805 -14.743 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.590 6.632 -18.038 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.996 7.035 -13.721 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.936 8.864 -17.015 1.00 0.00 H new ATOM 0 HH TYR A 101 6.842 9.328 -13.811 1.00 0.00 H new ATOM 1546 N LEU A 102 2.877 3.630 -16.372 1.00 0.00 N ATOM 1547 CA LEU A 102 1.557 3.704 -17.062 1.00 0.00 C ATOM 1548 C LEU A 102 1.054 5.152 -17.076 1.00 0.00 C ATOM 1549 O LEU A 102 1.063 5.820 -16.062 1.00 0.00 O ATOM 1550 CB LEU A 102 0.547 2.828 -16.317 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.536 2.359 -17.288 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.109 1.041 -17.936 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.847 2.152 -16.526 1.00 0.00 C ATOM 0 H LEU A 102 2.835 3.648 -15.353 1.00 0.00 H new ATOM 0 HA LEU A 102 1.669 3.352 -18.088 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.051 1.968 -15.875 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.097 3.389 -15.498 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.679 3.112 -18.063 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.883 0.708 -18.628 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.825 1.188 -18.479 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.036 0.286 -17.163 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.621 1.817 -17.217 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.702 1.399 -15.751 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.153 3.092 -16.066 1.00 0.00 H new ATOM 1565 N PRO A 103 0.616 5.586 -18.231 1.00 0.00 N ATOM 1566 CA PRO A 103 0.099 6.970 -18.320 1.00 0.00 C ATOM 1567 C PRO A 103 -1.352 6.955 -18.809 1.00 0.00 C ATOM 1568 O PRO A 103 -2.026 5.944 -18.753 1.00 0.00 O ATOM 1569 CB PRO A 103 1.004 7.655 -19.345 1.00 0.00 C ATOM 1570 CG PRO A 103 1.606 6.532 -20.207 1.00 0.00 C ATOM 1571 CD PRO A 103 1.463 5.233 -19.399 1.00 0.00 C ATOM 0 HA PRO A 103 0.106 7.484 -17.359 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.437 8.355 -19.959 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.788 8.228 -18.850 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.085 6.454 -21.161 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.653 6.735 -20.432 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.000 4.448 -19.997 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.436 4.860 -19.080 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.837 8.065 -19.294 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.243 8.109 -19.792 1.00 0.00 C ATOM 1581 C LYS A 104 -3.238 8.446 -21.289 1.00 0.00 C ATOM 1582 O LYS A 104 -2.268 8.975 -21.795 1.00 0.00 O ATOM 1583 CB LYS A 104 -4.026 9.179 -19.025 1.00 0.00 C ATOM 1584 CG LYS A 104 -4.760 8.531 -17.848 1.00 0.00 C ATOM 1585 CD LYS A 104 -5.187 9.610 -16.852 1.00 0.00 C ATOM 1586 CE LYS A 104 -4.628 9.279 -15.466 1.00 0.00 C ATOM 1587 NZ LYS A 104 -4.531 10.527 -14.658 1.00 0.00 N ATOM 0 H LYS A 104 -1.322 8.943 -19.367 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.717 7.140 -19.638 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.347 9.951 -18.663 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.740 9.667 -19.688 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.634 7.987 -18.207 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.112 7.805 -17.357 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.824 10.585 -17.178 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.274 9.672 -16.811 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.273 8.558 -14.965 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.645 8.816 -15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.151 10.302 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.898 11.201 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.476 10.950 -14.558 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.321 8.126 -21.960 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.470 7.480 -21.280 1.00 0.00 C ATOM 1603 C PRO A 105 -5.247 5.970 -21.170 1.00 0.00 C ATOM 1604 O PRO A 105 -4.302 5.430 -21.711 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.664 7.782 -22.187 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.084 8.066 -23.585 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.606 8.440 -23.380 1.00 0.00 C ATOM 0 HA PRO A 105 -5.615 7.847 -20.264 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.353 6.938 -22.216 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.226 8.640 -21.817 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.177 7.191 -24.228 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.625 8.878 -24.071 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.959 7.870 -24.047 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.433 9.495 -23.593 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.112 5.284 -20.474 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.952 3.809 -20.332 1.00 0.00 C ATOM 1617 C PHE A 106 -7.230 3.208 -19.741 1.00 0.00 C ATOM 1618 O PHE A 106 -7.741 3.673 -18.741 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.770 3.514 -19.404 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.141 3.872 -17.984 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -4.899 5.163 -17.504 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.722 2.910 -17.148 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -5.238 5.495 -16.186 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.062 3.242 -15.831 1.00 0.00 C ATOM 1625 CZ PHE A 106 -5.820 4.535 -15.350 1.00 0.00 C ATOM 0 H PHE A 106 -6.922 5.681 -19.998 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.766 3.367 -21.311 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.500 2.460 -19.466 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.896 4.085 -19.718 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.451 5.904 -18.149 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.908 1.913 -17.519 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.050 6.492 -15.815 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.511 2.501 -15.186 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.082 4.791 -14.334 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.748 2.175 -20.350 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.988 1.543 -19.823 1.00 0.00 C ATOM 1637 C ASP A 107 -8.667 0.825 -18.513 1.00 0.00 C ATOM 1638 O ASP A 107 -7.572 0.339 -18.315 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.508 0.531 -20.842 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.990 0.253 -20.581 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.276 -0.568 -19.725 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.814 0.864 -21.242 1.00 0.00 O ATOM 0 H ASP A 107 -7.364 1.743 -21.190 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.746 2.306 -19.646 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.373 0.916 -21.853 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.937 -0.395 -20.774 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.608 0.751 -17.614 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.341 0.059 -16.323 1.00 0.00 C ATOM 1649 C ILE A 108 -9.118 -1.426 -16.586 1.00 0.00 C ATOM 1650 O ILE A 108 -8.246 -2.044 -16.009 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.537 0.240 -15.385 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.688 1.723 -15.039 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.310 -0.564 -14.103 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.463 2.188 -14.249 1.00 0.00 C ATOM 0 H ILE A 108 -10.546 1.138 -17.716 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.453 0.486 -15.857 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.443 -0.115 -15.877 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.791 2.312 -15.951 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.594 1.881 -14.453 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.162 -0.434 -13.436 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.200 -1.620 -14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.405 -0.212 -13.608 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.569 3.244 -14.002 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.380 1.607 -13.331 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.566 2.045 -14.851 1.00 0.00 H new ATOM 1666 N ASP A 109 -9.890 -2.003 -17.461 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.713 -3.439 -17.769 1.00 0.00 C ATOM 1668 C ASP A 109 -8.474 -3.591 -18.633 1.00 0.00 C ATOM 1669 O ASP A 109 -7.683 -4.487 -18.451 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.937 -3.924 -18.530 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.977 -5.453 -18.530 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.438 -6.041 -17.606 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.546 -6.011 -19.454 1.00 0.00 O ATOM 0 H ASP A 109 -10.637 -1.537 -17.976 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.598 -4.024 -16.856 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.842 -3.528 -18.070 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.910 -3.552 -19.554 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.288 -2.707 -19.562 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.079 -2.788 -20.415 1.00 0.00 C ATOM 1680 C GLU A 110 -5.862 -2.906 -19.492 1.00 0.00 C ATOM 1681 O GLU A 110 -4.888 -3.564 -19.806 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.980 -1.517 -21.259 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.678 -1.515 -22.062 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.459 -2.889 -22.700 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.213 -3.231 -23.597 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.541 -3.576 -22.282 1.00 0.00 O ATOM 0 H GLU A 110 -8.919 -1.933 -19.769 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.125 -3.649 -21.082 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.833 -1.454 -21.935 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.019 -0.639 -20.614 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.718 -0.747 -22.835 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.839 -1.268 -21.411 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.921 -2.275 -18.343 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.793 -2.344 -17.387 1.00 0.00 C ATOM 1695 C ALA A 111 -4.897 -3.628 -16.559 1.00 0.00 C ATOM 1696 O ALA A 111 -4.131 -4.549 -16.743 1.00 0.00 O ATOM 1697 CB ALA A 111 -4.879 -1.135 -16.469 1.00 0.00 C ATOM 0 H ALA A 111 -6.713 -1.713 -18.033 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.843 -2.348 -17.921 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.057 -1.162 -15.753 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.814 -0.223 -17.062 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.828 -1.152 -15.933 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.823 -3.681 -15.629 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.969 -4.894 -14.764 1.00 0.00 C ATOM 1705 C VAL A 112 -5.688 -6.165 -15.585 1.00 0.00 C ATOM 1706 O VAL A 112 -5.234 -7.164 -15.067 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.402 -4.907 -14.188 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.980 -6.325 -14.163 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.368 -4.364 -12.755 1.00 0.00 C ATOM 0 H VAL A 112 -6.486 -2.932 -15.432 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.250 -4.867 -13.945 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.033 -4.287 -14.825 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.989 -6.299 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.011 -6.723 -15.177 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.352 -6.963 -13.542 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.376 -4.369 -12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.720 -4.992 -12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -6.984 -3.344 -12.761 1.00 0.00 H new ATOM 1719 N ALA A 113 -5.964 -6.123 -16.860 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.727 -7.311 -17.730 1.00 0.00 C ATOM 1721 C ALA A 113 -4.242 -7.395 -18.104 1.00 0.00 C ATOM 1722 O ALA A 113 -3.538 -8.310 -17.725 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.562 -7.171 -19.005 1.00 0.00 C ATOM 0 H ALA A 113 -6.347 -5.309 -17.341 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.013 -8.216 -17.194 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.394 -8.036 -19.647 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.619 -7.113 -18.743 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.269 -6.264 -19.534 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.771 -6.452 -18.871 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.348 -6.459 -19.303 1.00 0.00 C ATOM 1731 C LEU A 114 -1.477 -6.935 -18.152 1.00 0.00 C ATOM 1732 O LEU A 114 -0.491 -7.623 -18.326 1.00 0.00 O ATOM 1733 CB LEU A 114 -1.958 -5.026 -19.655 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.483 -4.961 -20.072 1.00 0.00 C ATOM 1735 CD1 LEU A 114 0.407 -4.974 -18.828 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.140 -6.165 -20.957 1.00 0.00 C ATOM 0 H LEU A 114 -4.320 -5.667 -19.221 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.214 -7.120 -20.159 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.588 -4.659 -20.465 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.129 -4.375 -18.798 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.312 -4.041 -20.631 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.454 -4.928 -19.129 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.171 -4.113 -18.203 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.232 -5.891 -18.265 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.909 -6.114 -21.250 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.317 -7.086 -20.402 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.767 -6.152 -21.848 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.851 -6.547 -16.973 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.083 -6.931 -15.767 1.00 0.00 C ATOM 1750 C VAL A 115 -1.329 -8.411 -15.431 1.00 0.00 C ATOM 1751 O VAL A 115 -0.396 -9.186 -15.347 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.516 -6.007 -14.604 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.852 -6.804 -13.337 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.379 -5.029 -14.292 1.00 0.00 C ATOM 0 H VAL A 115 -2.672 -5.969 -16.791 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.013 -6.813 -15.941 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.414 -5.472 -14.915 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.151 -6.118 -12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.669 -7.494 -13.547 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.975 -7.367 -13.018 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.677 -4.374 -13.473 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.512 -5.587 -14.005 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.162 -4.429 -15.176 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.560 -8.796 -15.178 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.819 -10.225 -14.781 1.00 0.00 C ATOM 1766 C GLU A 116 -1.921 -11.162 -15.590 1.00 0.00 C ATOM 1767 O GLU A 116 -1.520 -12.210 -15.125 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.286 -10.605 -15.016 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.789 -9.956 -16.290 1.00 0.00 C ATOM 1770 CD GLU A 116 -6.218 -10.427 -16.572 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -7.066 -10.228 -15.719 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -6.438 -10.978 -17.639 1.00 0.00 O ATOM 0 H GLU A 116 -3.384 -8.197 -15.227 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.597 -10.325 -13.718 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.383 -11.688 -15.086 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.894 -10.285 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.765 -8.871 -16.192 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.138 -10.215 -17.125 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.595 -10.787 -16.796 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.713 -11.652 -17.630 1.00 0.00 C ATOM 1781 C ARG A 117 0.732 -11.495 -17.159 1.00 0.00 C ATOM 1782 O ARG A 117 1.398 -12.458 -16.835 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.823 -11.237 -19.099 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.129 -11.774 -19.686 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.298 -11.260 -21.119 1.00 0.00 C ATOM 1786 NE ARG A 117 -2.426 -12.413 -22.054 1.00 0.00 N ATOM 1787 CZ ARG A 117 -3.112 -13.468 -21.704 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -4.293 -13.330 -21.170 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -2.616 -14.660 -21.890 1.00 0.00 N ATOM 0 H ARG A 117 -1.900 -9.921 -17.240 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.021 -12.693 -17.530 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.794 -10.151 -19.184 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.027 -11.624 -19.662 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.122 -12.864 -19.678 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.973 -11.456 -19.073 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.181 -10.625 -21.186 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.442 -10.646 -21.399 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.977 -12.378 -22.969 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -4.682 -12.398 -21.025 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -4.829 -14.154 -20.897 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -1.692 -14.768 -22.309 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -3.152 -15.484 -21.617 1.00 0.00 H new ATOM 1803 N ALA A 118 1.223 -10.288 -17.108 1.00 0.00 N ATOM 1804 CA ALA A 118 2.622 -10.077 -16.647 1.00 0.00 C ATOM 1805 C ALA A 118 2.857 -10.899 -15.380 1.00 0.00 C ATOM 1806 O ALA A 118 3.715 -11.760 -15.339 1.00 0.00 O ATOM 1807 CB ALA A 118 2.843 -8.595 -16.338 1.00 0.00 C ATOM 0 H ALA A 118 0.717 -9.441 -17.365 1.00 0.00 H new ATOM 0 HA ALA A 118 3.316 -10.390 -17.427 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.868 -8.443 -16.001 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.666 -8.005 -17.237 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.153 -8.280 -15.556 1.00 0.00 H new ATOM 1813 N ILE A 119 2.108 -10.619 -14.343 1.00 0.00 N ATOM 1814 CA ILE A 119 2.272 -11.352 -13.060 1.00 0.00 C ATOM 1815 C ILE A 119 2.622 -12.818 -13.332 1.00 0.00 C ATOM 1816 O ILE A 119 3.476 -13.392 -12.686 1.00 0.00 O ATOM 1817 CB ILE A 119 0.953 -11.287 -12.289 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.410 -9.854 -12.299 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.187 -11.726 -10.841 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.744 -9.742 -11.301 1.00 0.00 C ATOM 0 H ILE A 119 1.381 -9.903 -14.335 1.00 0.00 H new ATOM 0 HA ILE A 119 3.076 -10.897 -12.481 1.00 0.00 H new ATOM 0 HB ILE A 119 0.230 -11.950 -12.765 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.201 -9.152 -12.037 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.067 -9.590 -13.299 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.247 -11.680 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.566 -12.748 -10.827 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.915 -11.063 -10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.132 -8.723 -11.306 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.537 -10.434 -11.583 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.386 -9.989 -10.301 1.00 0.00 H new ATOM 1832 N SER A 120 1.965 -13.428 -14.286 1.00 0.00 N ATOM 1833 CA SER A 120 2.260 -14.856 -14.596 1.00 0.00 C ATOM 1834 C SER A 120 3.322 -14.936 -15.695 1.00 0.00 C ATOM 1835 O SER A 120 3.162 -15.633 -16.677 1.00 0.00 O ATOM 1836 CB SER A 120 0.983 -15.549 -15.074 1.00 0.00 C ATOM 1837 OG SER A 120 1.162 -16.958 -15.006 1.00 0.00 O ATOM 0 H SER A 120 1.240 -12.999 -14.861 1.00 0.00 H new ATOM 0 HA SER A 120 2.630 -15.350 -13.698 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.138 -15.248 -14.455 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.753 -15.249 -16.096 1.00 0.00 H new ATOM 0 HG SER A 120 1.898 -17.223 -15.596 1.00 0.00 H new ATOM 1843 N HIS A 121 4.408 -14.231 -15.535 1.00 0.00 N ATOM 1844 CA HIS A 121 5.480 -14.275 -16.568 1.00 0.00 C ATOM 1845 C HIS A 121 6.562 -15.263 -16.129 1.00 0.00 C ATOM 1846 O HIS A 121 7.082 -16.023 -16.922 1.00 0.00 O ATOM 1847 CB HIS A 121 6.094 -12.882 -16.726 1.00 0.00 C ATOM 1848 CG HIS A 121 6.755 -12.776 -18.074 1.00 0.00 C ATOM 1849 ND1 HIS A 121 6.309 -11.899 -19.049 1.00 0.00 N ATOM 1850 CD2 HIS A 121 7.828 -13.433 -18.623 1.00 0.00 C ATOM 1851 CE1 HIS A 121 7.104 -12.050 -20.125 1.00 0.00 C ATOM 1852 NE2 HIS A 121 8.047 -12.972 -19.918 1.00 0.00 N ATOM 0 H HIS A 121 4.599 -13.628 -14.735 1.00 0.00 H new ATOM 0 HA HIS A 121 5.058 -14.594 -17.521 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.322 -12.119 -16.626 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.823 -12.702 -15.936 1.00 0.00 H new ATOM 0 HD2 HIS A 121 8.413 -14.192 -18.126 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.992 -11.493 -21.044 1.00 0.00 H new ATOM 0 HE2 HIS A 121 8.772 -13.274 -20.569 1.00 0.00 H new ATOM 1860 N TYR A 122 6.908 -15.254 -14.872 1.00 0.00 N ATOM 1861 CA TYR A 122 7.956 -16.186 -14.377 1.00 0.00 C ATOM 1862 C TYR A 122 7.325 -17.542 -14.053 1.00 0.00 C ATOM 1863 O TYR A 122 7.944 -18.397 -13.450 1.00 0.00 O ATOM 1864 CB TYR A 122 8.596 -15.606 -13.109 1.00 0.00 C ATOM 1865 CG TYR A 122 8.483 -14.099 -13.117 1.00 0.00 C ATOM 1866 CD1 TYR A 122 8.739 -13.383 -14.293 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.121 -13.417 -11.949 1.00 0.00 C ATOM 1868 CE1 TYR A 122 8.635 -11.987 -14.301 1.00 0.00 C ATOM 1869 CE2 TYR A 122 8.017 -12.020 -11.956 1.00 0.00 C ATOM 1870 CZ TYR A 122 8.273 -11.305 -13.132 1.00 0.00 C ATOM 1871 OH TYR A 122 8.171 -9.928 -13.140 1.00 0.00 O ATOM 0 H TYR A 122 6.508 -14.638 -14.164 1.00 0.00 H new ATOM 0 HA TYR A 122 8.718 -16.315 -15.145 1.00 0.00 H new ATOM 0 HB2 TYR A 122 8.104 -16.011 -12.225 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.644 -15.900 -13.053 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.017 -13.908 -15.195 1.00 0.00 H new ATOM 0 HD2 TYR A 122 7.922 -13.968 -11.042 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.834 -11.436 -15.208 1.00 0.00 H new ATOM 0 HE2 TYR A 122 7.739 -11.495 -11.054 1.00 0.00 H new ATOM 0 HH TYR A 122 7.910 -9.614 -12.249 1.00 0.00 H new ATOM 1881 N GLN A 123 6.099 -17.747 -14.447 1.00 0.00 N ATOM 1882 CA GLN A 123 5.432 -19.047 -14.158 1.00 0.00 C ATOM 1883 C GLN A 123 5.570 -19.975 -15.367 1.00 0.00 C ATOM 1884 O GLN A 123 4.840 -20.938 -15.508 1.00 0.00 O ATOM 1885 CB GLN A 123 3.949 -18.807 -13.869 1.00 0.00 C ATOM 1886 CG GLN A 123 3.607 -19.341 -12.476 1.00 0.00 C ATOM 1887 CD GLN A 123 3.145 -18.187 -11.586 1.00 0.00 C ATOM 1888 OE1 GLN A 123 3.433 -17.040 -11.859 1.00 0.00 O ATOM 1889 NE2 GLN A 123 2.434 -18.445 -10.522 1.00 0.00 N ATOM 0 H GLN A 123 5.530 -17.071 -14.956 1.00 0.00 H new ATOM 0 HA GLN A 123 5.903 -19.509 -13.290 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.724 -17.742 -13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 123 3.336 -19.304 -14.621 1.00 0.00 H new ATOM 0 HG2 GLN A 123 2.824 -20.096 -12.547 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.479 -19.826 -12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.192 -19.409 -10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.121 -17.683 -9.921 1.00 0.00 H new ATOM 1898 N GLU A 124 6.498 -19.698 -16.241 1.00 0.00 N ATOM 1899 CA GLU A 124 6.676 -20.570 -17.437 1.00 0.00 C ATOM 1900 C GLU A 124 5.473 -20.411 -18.368 1.00 0.00 C ATOM 1901 O GLU A 124 4.364 -20.651 -17.918 1.00 0.00 O ATOM 1902 CB GLU A 124 6.787 -22.029 -16.990 1.00 0.00 C ATOM 1903 CG GLU A 124 8.216 -22.527 -17.223 1.00 0.00 C ATOM 1904 CD GLU A 124 8.320 -23.141 -18.620 1.00 0.00 C ATOM 1905 OE1 GLU A 124 7.776 -24.215 -18.816 1.00 0.00 O ATOM 1906 OE2 GLU A 124 8.944 -22.526 -19.471 1.00 0.00 O ATOM 1907 OXT GLU A 124 5.679 -20.051 -19.516 1.00 0.00 O ATOM 0 H GLU A 124 7.140 -18.907 -16.179 1.00 0.00 H new ATOM 0 HA GLU A 124 7.584 -20.282 -17.966 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.527 -22.118 -15.935 1.00 0.00 H new ATOM 0 HB3 GLU A 124 6.080 -22.646 -17.546 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.921 -21.702 -17.123 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.482 -23.267 -16.468 1.00 0.00 H new TER 1914 GLU A 124