USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot -65:sc= 0.589 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.89 K(o=-0.3,f=-9.4!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0967 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -2.89 F(o=-4.4!,f=-2.9) USER MOD Single : A 13 MET CE :methyl 164:sc= -0.44 (180deg=-1.12) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.5) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0.0239 (180deg=0.022) USER MOD Single : A 30 THR OG1 : rot 75:sc= -3.48! USER MOD Single : A 36 SER OG : rot 180:sc= -1.17 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.64 K(o=-2.6,f=-3.2) USER MOD Single : A 49 SER OG : rot -170:sc= 0.594 USER MOD Single : A 51 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.78) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 26:sc= -1.43! USER MOD Single : A 63 THR OG1 : rot 150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -167:sc= -6.04! (180deg=-6.76!) USER MOD Single : A 69 CYS SG : rot 40:sc= -0.0708 USER MOD Single : A 74 TYR OH : rot -56:sc= 0.383 USER MOD Single : A 75 THR OG1 : rot 145:sc= 1.18 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -42:sc= 1.09 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.836 F(o=-1.6,f=-0.84) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -88:sc= -0.724 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 65:sc= -0.307 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.16 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.694 8.492 -19.962 1.00 0.00 N ATOM 2 CA GLY A 1 7.380 9.876 -19.650 1.00 0.00 C ATOM 3 C GLY A 1 8.629 10.755 -19.738 1.00 0.00 C ATOM 4 O GLY A 1 9.724 10.260 -20.000 1.00 0.00 O ATOM 0 H1 GLY A 1 7.189 8.208 -20.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.719 8.394 -20.111 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.399 7.883 -19.173 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.622 10.245 -20.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.956 9.939 -18.648 1.00 0.00 H new ATOM 8 N SER A 2 8.423 12.045 -19.514 1.00 0.00 N ATOM 9 CA SER A 2 9.519 12.997 -19.564 1.00 0.00 C ATOM 10 C SER A 2 9.676 13.687 -18.207 1.00 0.00 C ATOM 11 O SER A 2 10.782 13.777 -17.677 1.00 0.00 O ATOM 12 CB SER A 2 9.295 14.036 -20.665 1.00 0.00 C ATOM 13 OG SER A 2 10.499 14.342 -21.363 1.00 0.00 O ATOM 0 H SER A 2 7.513 12.453 -19.298 1.00 0.00 H new ATOM 0 HA SER A 2 10.435 12.453 -19.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.552 13.663 -21.370 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.889 14.947 -20.226 1.00 0.00 H new ATOM 0 HG SER A 2 10.314 15.007 -22.058 1.00 0.00 H new ATOM 19 N SER A 3 8.552 14.156 -17.684 1.00 0.00 N ATOM 20 CA SER A 3 8.551 14.834 -16.399 1.00 0.00 C ATOM 21 C SER A 3 7.752 14.021 -15.379 1.00 0.00 C ATOM 22 O SER A 3 8.238 13.745 -14.283 1.00 0.00 O ATOM 23 CB SER A 3 7.973 16.246 -16.523 1.00 0.00 C ATOM 24 OG SER A 3 8.829 17.226 -15.942 1.00 0.00 O ATOM 0 H SER A 3 7.636 14.080 -18.127 1.00 0.00 H new ATOM 0 HA SER A 3 9.582 14.921 -16.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.814 16.482 -17.575 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.998 16.283 -16.037 1.00 0.00 H new ATOM 0 HG SER A 3 8.426 18.114 -16.043 1.00 0.00 H new ATOM 30 N GLY A 4 6.540 13.661 -15.775 1.00 0.00 N ATOM 31 CA GLY A 4 5.670 12.885 -14.908 1.00 0.00 C ATOM 32 C GLY A 4 5.967 11.389 -15.030 1.00 0.00 C ATOM 33 O GLY A 4 6.797 10.981 -15.841 1.00 0.00 O ATOM 0 H GLY A 4 6.140 13.892 -16.684 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.804 13.203 -13.874 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.629 13.075 -15.168 1.00 0.00 H new ATOM 37 N SER A 5 5.273 10.611 -14.212 1.00 0.00 N ATOM 38 CA SER A 5 5.452 9.169 -14.218 1.00 0.00 C ATOM 39 C SER A 5 4.487 8.518 -13.225 1.00 0.00 C ATOM 40 O SER A 5 3.630 7.727 -13.614 1.00 0.00 O ATOM 41 CB SER A 5 6.896 8.792 -13.881 1.00 0.00 C ATOM 42 OG SER A 5 7.236 7.496 -14.365 1.00 0.00 O ATOM 0 H SER A 5 4.585 10.952 -13.540 1.00 0.00 H new ATOM 0 HA SER A 5 5.234 8.801 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.573 9.529 -14.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.036 8.824 -12.801 1.00 0.00 H new ATOM 0 HG SER A 5 8.166 7.293 -14.131 1.00 0.00 H new ATOM 48 N SER A 6 4.660 8.875 -11.960 1.00 0.00 N ATOM 49 CA SER A 6 3.816 8.336 -10.908 1.00 0.00 C ATOM 50 C SER A 6 2.458 9.041 -10.913 1.00 0.00 C ATOM 51 O SER A 6 2.348 10.181 -11.364 1.00 0.00 O ATOM 52 CB SER A 6 4.483 8.478 -9.539 1.00 0.00 C ATOM 53 OG SER A 6 5.094 9.755 -9.373 1.00 0.00 O ATOM 0 H SER A 6 5.373 9.531 -11.641 1.00 0.00 H new ATOM 0 HA SER A 6 3.667 7.274 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.740 8.327 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.235 7.698 -9.419 1.00 0.00 H new ATOM 0 HG SER A 6 5.507 9.807 -8.486 1.00 0.00 H new ATOM 59 N GLY A 7 1.458 8.335 -10.406 1.00 0.00 N ATOM 60 CA GLY A 7 0.112 8.880 -10.346 1.00 0.00 C ATOM 61 C GLY A 7 -0.794 8.007 -9.477 1.00 0.00 C ATOM 62 O GLY A 7 -1.987 7.878 -9.751 1.00 0.00 O ATOM 0 H GLY A 7 1.553 7.390 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.143 9.892 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.301 8.950 -11.352 1.00 0.00 H new ATOM 66 N TRP A 8 -0.195 7.429 -8.446 1.00 0.00 N ATOM 67 CA TRP A 8 -0.933 6.572 -7.535 1.00 0.00 C ATOM 68 C TRP A 8 -1.135 7.337 -6.225 1.00 0.00 C ATOM 69 O TRP A 8 -2.084 7.074 -5.489 1.00 0.00 O ATOM 70 CB TRP A 8 -0.219 5.233 -7.341 1.00 0.00 C ATOM 71 CG TRP A 8 1.223 5.217 -7.853 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.710 4.587 -8.931 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.353 5.891 -7.259 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.065 4.805 -9.075 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.468 5.623 -8.026 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.430 6.701 -6.112 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.741 6.125 -7.730 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.709 7.195 -5.830 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.842 6.934 -6.592 1.00 0.00 C ATOM 0 H TRP A 8 0.794 7.538 -8.222 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.911 6.323 -7.947 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.220 4.983 -6.280 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.784 4.454 -7.853 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.117 3.984 -9.603 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.661 4.434 -9.815 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.570 6.924 -5.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.599 5.900 -8.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.824 7.823 -4.959 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.796 7.353 -6.307 1.00 0.00 H new ATOM 90 N TYR A 9 -0.226 8.268 -5.974 1.00 0.00 N ATOM 91 CA TYR A 9 -0.292 9.072 -4.766 1.00 0.00 C ATOM 92 C TYR A 9 -1.637 9.795 -4.662 1.00 0.00 C ATOM 93 O TYR A 9 -1.886 10.757 -5.388 1.00 0.00 O ATOM 94 CB TYR A 9 0.824 10.111 -4.890 1.00 0.00 C ATOM 95 CG TYR A 9 1.021 10.965 -3.636 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.682 10.444 -2.543 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.537 12.257 -3.598 1.00 0.00 C ATOM 98 CE1 TYR A 9 1.867 11.247 -1.362 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.723 13.061 -2.418 1.00 0.00 C ATOM 100 CZ TYR A 9 1.378 12.517 -1.358 1.00 0.00 C ATOM 101 OH TYR A 9 1.554 13.276 -0.244 1.00 0.00 O ATOM 0 H TYR A 9 0.560 8.483 -6.587 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.183 8.445 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.759 9.599 -5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.604 10.766 -5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.061 9.433 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.019 12.665 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.382 10.851 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.350 14.074 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 9 1.155 14.160 -0.384 1.00 0.00 H new ATOM 111 N HIS A 10 -2.467 9.305 -3.754 1.00 0.00 N ATOM 112 CA HIS A 10 -3.779 9.893 -3.545 1.00 0.00 C ATOM 113 C HIS A 10 -3.648 11.148 -2.681 1.00 0.00 C ATOM 114 O HIS A 10 -4.438 12.082 -2.813 1.00 0.00 O ATOM 115 CB HIS A 10 -4.747 8.865 -2.954 1.00 0.00 C ATOM 116 CG HIS A 10 -5.081 7.727 -3.890 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.159 7.762 -4.757 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.468 6.525 -4.085 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.184 6.626 -5.438 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.136 5.860 -5.019 1.00 0.00 N ATOM 0 H HIS A 10 -2.257 8.507 -3.154 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.202 10.196 -4.503 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.314 8.456 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.670 9.371 -2.670 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.821 8.531 -4.855 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.588 6.174 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.907 6.354 -6.193 1.00 0.00 H new ATOM 128 N GLY A 11 -2.645 11.130 -1.816 1.00 0.00 N ATOM 129 CA GLY A 11 -2.400 12.256 -0.930 1.00 0.00 C ATOM 130 C GLY A 11 -2.793 11.916 0.509 1.00 0.00 C ATOM 131 O GLY A 11 -2.287 10.953 1.084 1.00 0.00 O ATOM 0 H GLY A 11 -1.992 10.354 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.346 12.531 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.967 13.122 -1.271 1.00 0.00 H new ATOM 135 N HIS A 12 -3.690 12.727 1.051 1.00 0.00 N ATOM 136 CA HIS A 12 -4.156 12.524 2.412 1.00 0.00 C ATOM 137 C HIS A 12 -5.368 11.591 2.406 1.00 0.00 C ATOM 138 O HIS A 12 -6.506 12.045 2.297 1.00 0.00 O ATOM 139 CB HIS A 12 -4.443 13.864 3.093 1.00 0.00 C ATOM 140 CG HIS A 12 -3.818 14.005 4.460 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.873 13.249 5.090 1.00 0.00 N flip ATOM 142 CD2 HIS A 12 -4.156 15.019 5.338 1.00 0.00 C flip ATOM 143 CE1 HIS A 12 -2.646 13.774 6.288 1.00 0.00 C flip ATOM 144 NE2 HIS A 12 -3.441 14.871 6.444 1.00 0.00 N flip ATOM 0 H HIS A 12 -4.106 13.526 0.572 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.374 12.043 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.080 14.669 2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.522 13.990 3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -4.880 15.799 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.947 13.395 7.019 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.479 15.472 7.267 1.00 0.00 H new ATOM 152 N MET A 13 -5.083 10.302 2.525 1.00 0.00 N ATOM 153 CA MET A 13 -6.136 9.301 2.535 1.00 0.00 C ATOM 154 C MET A 13 -6.231 8.619 3.901 1.00 0.00 C ATOM 155 O MET A 13 -5.213 8.332 4.528 1.00 0.00 O ATOM 156 CB MET A 13 -5.852 8.251 1.459 1.00 0.00 C ATOM 157 CG MET A 13 -7.019 7.271 1.328 1.00 0.00 C ATOM 158 SD MET A 13 -8.486 8.137 0.796 1.00 0.00 S ATOM 159 CE MET A 13 -8.366 7.897 -0.969 1.00 0.00 C ATOM 0 H MET A 13 -4.138 9.928 2.615 1.00 0.00 H new ATOM 0 HA MET A 13 -7.085 9.797 2.330 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.677 8.743 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.941 7.706 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.769 6.488 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.202 6.781 2.284 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.327 8.119 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.605 8.563 -1.376 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.093 6.863 -1.178 1.00 0.00 H new ATOM 169 N SER A 14 -7.464 8.380 4.323 1.00 0.00 N ATOM 170 CA SER A 14 -7.706 7.738 5.604 1.00 0.00 C ATOM 171 C SER A 14 -7.607 6.218 5.454 1.00 0.00 C ATOM 172 O SER A 14 -8.282 5.629 4.610 1.00 0.00 O ATOM 173 CB SER A 14 -9.074 8.128 6.166 1.00 0.00 C ATOM 174 OG SER A 14 -9.058 9.423 6.761 1.00 0.00 O ATOM 0 H SER A 14 -8.306 8.620 3.800 1.00 0.00 H new ATOM 0 HA SER A 14 -6.945 8.078 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.814 8.106 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.384 7.392 6.908 1.00 0.00 H new ATOM 0 HG SER A 14 -9.950 9.635 7.106 1.00 0.00 H new ATOM 180 N GLY A 15 -6.762 5.627 6.285 1.00 0.00 N ATOM 181 CA GLY A 15 -6.567 4.188 6.255 1.00 0.00 C ATOM 182 C GLY A 15 -7.890 3.460 6.009 1.00 0.00 C ATOM 183 O GLY A 15 -8.055 2.795 4.987 1.00 0.00 O ATOM 0 H GLY A 15 -6.204 6.119 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.855 3.930 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.135 3.856 7.199 1.00 0.00 H new ATOM 187 N GLY A 16 -8.797 3.609 6.962 1.00 0.00 N ATOM 188 CA GLY A 16 -10.100 2.975 6.861 1.00 0.00 C ATOM 189 C GLY A 16 -10.702 3.175 5.468 1.00 0.00 C ATOM 190 O GLY A 16 -11.425 2.314 4.971 1.00 0.00 O ATOM 0 H GLY A 16 -8.655 4.160 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.007 1.909 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.770 3.391 7.614 1.00 0.00 H new ATOM 194 N GLN A 17 -10.380 4.317 4.879 1.00 0.00 N ATOM 195 CA GLN A 17 -10.880 4.642 3.554 1.00 0.00 C ATOM 196 C GLN A 17 -10.235 3.732 2.506 1.00 0.00 C ATOM 197 O GLN A 17 -10.918 2.931 1.870 1.00 0.00 O ATOM 198 CB GLN A 17 -10.638 6.116 3.223 1.00 0.00 C ATOM 199 CG GLN A 17 -11.934 6.799 2.782 1.00 0.00 C ATOM 200 CD GLN A 17 -11.850 8.314 2.978 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.029 8.836 4.066 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.567 8.988 1.867 1.00 0.00 N ATOM 0 H GLN A 17 -9.779 5.029 5.295 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.957 4.473 3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.233 6.627 4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.893 6.197 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.129 6.575 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.772 6.401 3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.429 8.488 0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.488 10.005 1.893 1.00 0.00 H new ATOM 211 N ALA A 18 -8.928 3.886 2.359 1.00 0.00 N ATOM 212 CA ALA A 18 -8.183 3.088 1.399 1.00 0.00 C ATOM 213 C ALA A 18 -8.743 1.664 1.383 1.00 0.00 C ATOM 214 O ALA A 18 -9.074 1.135 0.323 1.00 0.00 O ATOM 215 CB ALA A 18 -6.695 3.126 1.749 1.00 0.00 C ATOM 0 H ALA A 18 -8.365 4.552 2.888 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.291 3.496 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.137 2.528 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.340 4.156 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.546 2.721 2.750 1.00 0.00 H new ATOM 221 N GLU A 19 -8.832 1.085 2.571 1.00 0.00 N ATOM 222 CA GLU A 19 -9.346 -0.268 2.707 1.00 0.00 C ATOM 223 C GLU A 19 -10.646 -0.424 1.917 1.00 0.00 C ATOM 224 O GLU A 19 -10.797 -1.368 1.143 1.00 0.00 O ATOM 225 CB GLU A 19 -9.552 -0.630 4.179 1.00 0.00 C ATOM 226 CG GLU A 19 -8.386 -1.468 4.707 1.00 0.00 C ATOM 227 CD GLU A 19 -8.885 -2.588 5.622 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.010 -2.435 6.145 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.130 -3.572 5.778 1.00 0.00 O ATOM 0 H GLU A 19 -8.557 1.527 3.448 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.610 -0.959 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.647 0.280 4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.484 -1.184 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.833 -1.896 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.693 -0.829 5.254 1.00 0.00 H new ATOM 236 N THR A 20 -11.552 0.518 2.137 1.00 0.00 N ATOM 237 CA THR A 20 -12.834 0.497 1.455 1.00 0.00 C ATOM 238 C THR A 20 -12.657 0.844 -0.025 1.00 0.00 C ATOM 239 O THR A 20 -13.278 0.227 -0.889 1.00 0.00 O ATOM 240 CB THR A 20 -13.778 1.448 2.193 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.498 0.601 3.085 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.858 2.029 1.278 1.00 0.00 C ATOM 0 H THR A 20 -11.423 1.301 2.778 1.00 0.00 H new ATOM 0 HA THR A 20 -13.275 -0.500 1.472 1.00 0.00 H new ATOM 0 HB THR A 20 -13.201 2.260 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.132 1.137 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.500 2.697 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.387 2.586 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.457 1.219 0.862 1.00 0.00 H new ATOM 250 N LEU A 21 -11.806 1.829 -0.271 1.00 0.00 N ATOM 251 CA LEU A 21 -11.539 2.265 -1.631 1.00 0.00 C ATOM 252 C LEU A 21 -11.021 1.081 -2.449 1.00 0.00 C ATOM 253 O LEU A 21 -11.606 0.725 -3.471 1.00 0.00 O ATOM 254 CB LEU A 21 -10.598 3.472 -1.631 1.00 0.00 C ATOM 255 CG LEU A 21 -11.228 4.813 -1.251 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.847 5.213 0.175 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.863 5.898 -2.267 1.00 0.00 C ATOM 0 H LEU A 21 -11.292 2.338 0.449 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.457 2.606 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.779 3.269 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.161 3.567 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.312 4.700 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.308 6.170 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.198 4.452 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.763 5.302 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.324 6.841 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.780 6.017 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.225 5.609 -3.254 1.00 0.00 H new ATOM 269 N LEU A 22 -9.930 0.503 -1.969 1.00 0.00 N ATOM 270 CA LEU A 22 -9.327 -0.634 -2.643 1.00 0.00 C ATOM 271 C LEU A 22 -10.396 -1.700 -2.893 1.00 0.00 C ATOM 272 O LEU A 22 -10.410 -2.335 -3.946 1.00 0.00 O ATOM 273 CB LEU A 22 -8.120 -1.146 -1.854 1.00 0.00 C ATOM 274 CG LEU A 22 -6.811 -0.381 -2.058 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.750 -0.832 -1.052 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.322 -0.507 -3.502 1.00 0.00 C ATOM 0 H LEU A 22 -9.448 0.801 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.939 -0.337 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.369 -1.124 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.953 -2.190 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.001 0.676 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.829 -0.273 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.108 -0.648 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.556 -1.897 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.390 0.046 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.153 -1.558 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.074 -0.099 -4.178 1.00 0.00 H new ATOM 288 N GLN A 23 -11.266 -1.862 -1.907 1.00 0.00 N ATOM 289 CA GLN A 23 -12.336 -2.840 -2.006 1.00 0.00 C ATOM 290 C GLN A 23 -13.375 -2.387 -3.034 1.00 0.00 C ATOM 291 O GLN A 23 -13.787 -3.167 -3.890 1.00 0.00 O ATOM 292 CB GLN A 23 -12.984 -3.083 -0.642 1.00 0.00 C ATOM 293 CG GLN A 23 -12.095 -3.964 0.238 1.00 0.00 C ATOM 294 CD GLN A 23 -12.650 -4.053 1.662 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.535 -3.313 2.058 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.081 -4.998 2.405 1.00 0.00 N ATOM 0 H GLN A 23 -11.252 -1.332 -1.035 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.909 -3.785 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.163 -2.129 -0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.955 -3.559 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.026 -4.963 -0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.084 -3.557 0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.345 -5.583 2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.381 -5.138 3.370 1.00 0.00 H new ATOM 305 N ALA A 24 -13.768 -1.127 -2.915 1.00 0.00 N ATOM 306 CA ALA A 24 -14.750 -0.561 -3.823 1.00 0.00 C ATOM 307 C ALA A 24 -14.401 -0.959 -5.259 1.00 0.00 C ATOM 308 O ALA A 24 -15.288 -1.245 -6.061 1.00 0.00 O ATOM 309 CB ALA A 24 -14.804 0.957 -3.636 1.00 0.00 C ATOM 0 H ALA A 24 -13.424 -0.483 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.744 -0.952 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.541 1.382 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.085 1.187 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.824 1.385 -3.849 1.00 0.00 H new ATOM 315 N LYS A 25 -13.106 -0.964 -5.539 1.00 0.00 N ATOM 316 CA LYS A 25 -12.628 -1.322 -6.864 1.00 0.00 C ATOM 317 C LYS A 25 -12.685 -2.842 -7.028 1.00 0.00 C ATOM 318 O LYS A 25 -13.296 -3.346 -7.969 1.00 0.00 O ATOM 319 CB LYS A 25 -11.240 -0.728 -7.111 1.00 0.00 C ATOM 320 CG LYS A 25 -11.081 -0.295 -8.570 1.00 0.00 C ATOM 321 CD LYS A 25 -11.239 1.220 -8.713 1.00 0.00 C ATOM 322 CE LYS A 25 -11.801 1.586 -10.088 1.00 0.00 C ATOM 323 NZ LYS A 25 -10.763 2.240 -10.915 1.00 0.00 N ATOM 0 H LYS A 25 -12.373 -0.726 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.273 -0.894 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.085 0.128 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.476 -1.464 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.101 -0.598 -8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.824 -0.801 -9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.902 1.595 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.273 1.705 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.162 0.689 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.656 2.253 -9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.140 2.420 -11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.486 3.141 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.932 1.619 -10.984 1.00 0.00 H new ATOM 337 N GLY A 26 -12.040 -3.530 -6.097 1.00 0.00 N ATOM 338 CA GLY A 26 -12.009 -4.983 -6.127 1.00 0.00 C ATOM 339 C GLY A 26 -10.803 -5.490 -6.920 1.00 0.00 C ATOM 340 O GLY A 26 -10.527 -6.688 -6.939 1.00 0.00 O ATOM 0 H GLY A 26 -11.535 -3.109 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.968 -5.370 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.928 -5.361 -6.575 1.00 0.00 H new ATOM 344 N GLU A 27 -10.116 -4.551 -7.555 1.00 0.00 N ATOM 345 CA GLU A 27 -8.945 -4.888 -8.347 1.00 0.00 C ATOM 346 C GLU A 27 -7.907 -5.606 -7.482 1.00 0.00 C ATOM 347 O GLU A 27 -7.384 -5.031 -6.529 1.00 0.00 O ATOM 348 CB GLU A 27 -8.347 -3.640 -8.999 1.00 0.00 C ATOM 349 CG GLU A 27 -9.284 -3.078 -10.071 1.00 0.00 C ATOM 350 CD GLU A 27 -8.627 -1.917 -10.819 1.00 0.00 C ATOM 351 OE1 GLU A 27 -8.248 -0.942 -10.134 1.00 0.00 O ATOM 352 OE2 GLU A 27 -8.519 -2.029 -12.059 1.00 0.00 O ATOM 0 H GLU A 27 -10.348 -3.558 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.253 -5.563 -9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.162 -2.881 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.383 -3.885 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.550 -3.866 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.211 -2.739 -9.608 1.00 0.00 H new ATOM 359 N PRO A 28 -7.633 -6.885 -7.855 1.00 0.00 N ATOM 360 CA PRO A 28 -6.667 -7.687 -7.124 1.00 0.00 C ATOM 361 C PRO A 28 -5.237 -7.250 -7.446 1.00 0.00 C ATOM 362 O PRO A 28 -4.881 -7.087 -8.612 1.00 0.00 O ATOM 363 CB PRO A 28 -6.957 -9.122 -7.534 1.00 0.00 C ATOM 364 CG PRO A 28 -7.758 -9.033 -8.823 1.00 0.00 C ATOM 365 CD PRO A 28 -8.234 -7.598 -8.978 1.00 0.00 C ATOM 0 HA PRO A 28 -6.754 -7.570 -6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.033 -9.679 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.520 -9.643 -6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.144 -9.326 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.607 -9.716 -8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.916 -7.176 -9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.322 -7.536 -8.950 1.00 0.00 H new ATOM 373 N TRP A 29 -4.455 -7.073 -6.391 1.00 0.00 N ATOM 374 CA TRP A 29 -3.071 -6.658 -6.546 1.00 0.00 C ATOM 375 C TRP A 29 -3.060 -5.171 -6.904 1.00 0.00 C ATOM 376 O TRP A 29 -2.268 -4.735 -7.738 1.00 0.00 O ATOM 377 CB TRP A 29 -2.351 -7.527 -7.580 1.00 0.00 C ATOM 378 CG TRP A 29 -2.480 -9.030 -7.328 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.865 -9.981 -8.191 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.207 -9.721 -6.091 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.860 -11.229 -7.602 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.447 -11.067 -6.285 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.771 -9.226 -4.850 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.279 -12.028 -5.281 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.609 -10.200 -3.856 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.846 -11.558 -4.036 1.00 0.00 C ATOM 0 H TRP A 29 -4.754 -7.209 -5.425 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.521 -6.796 -5.615 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.747 -7.300 -8.570 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.294 -7.260 -7.591 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.144 -9.794 -9.217 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.113 -12.109 -8.051 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.576 -8.178 -4.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.473 -13.076 -5.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.277 -9.873 -2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.697 -12.247 -3.218 1.00 0.00 H new ATOM 397 N THR A 30 -3.949 -4.433 -6.255 1.00 0.00 N ATOM 398 CA THR A 30 -4.052 -3.003 -6.494 1.00 0.00 C ATOM 399 C THR A 30 -3.439 -2.222 -5.330 1.00 0.00 C ATOM 400 O THR A 30 -3.922 -2.303 -4.202 1.00 0.00 O ATOM 401 CB THR A 30 -5.525 -2.670 -6.741 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.940 -3.629 -7.709 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.710 -1.325 -7.446 1.00 0.00 C ATOM 0 H THR A 30 -4.604 -4.798 -5.564 1.00 0.00 H new ATOM 0 HA THR A 30 -3.485 -2.708 -7.377 1.00 0.00 H new ATOM 0 HB THR A 30 -6.059 -2.659 -5.791 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.052 -4.502 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.773 -1.137 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.285 -0.531 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.204 -1.348 -8.411 1.00 0.00 H new ATOM 411 N PHE A 31 -2.385 -1.484 -5.645 1.00 0.00 N ATOM 412 CA PHE A 31 -1.701 -0.689 -4.639 1.00 0.00 C ATOM 413 C PHE A 31 -1.989 0.801 -4.829 1.00 0.00 C ATOM 414 O PHE A 31 -2.541 1.205 -5.851 1.00 0.00 O ATOM 415 CB PHE A 31 -0.201 -0.934 -4.819 1.00 0.00 C ATOM 416 CG PHE A 31 0.450 -0.048 -5.882 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.281 -0.332 -7.201 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.199 1.024 -5.508 1.00 0.00 C ATOM 419 CE1 PHE A 31 0.886 0.491 -8.188 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.804 1.847 -6.495 1.00 0.00 C ATOM 421 CZ PHE A 31 1.635 1.563 -7.814 1.00 0.00 C ATOM 0 H PHE A 31 -1.988 -1.420 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.043 -0.974 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.301 -0.769 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.043 -1.979 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.313 -1.183 -7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.334 1.249 -4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.751 0.266 -9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.398 2.698 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.095 2.188 -8.564 1.00 0.00 H new ATOM 431 N LEU A 32 -1.602 1.578 -3.828 1.00 0.00 N ATOM 432 CA LEU A 32 -1.812 3.016 -3.872 1.00 0.00 C ATOM 433 C LEU A 32 -0.988 3.681 -2.768 1.00 0.00 C ATOM 434 O LEU A 32 -0.906 3.167 -1.653 1.00 0.00 O ATOM 435 CB LEU A 32 -3.305 3.341 -3.805 1.00 0.00 C ATOM 436 CG LEU A 32 -3.935 3.322 -2.411 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.753 4.669 -1.708 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.405 2.905 -2.479 1.00 0.00 C ATOM 0 H LEU A 32 -1.144 1.239 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.463 3.424 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.461 4.329 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.840 2.629 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.416 2.574 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.210 4.628 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.690 4.886 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.230 5.454 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.829 2.900 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.955 3.611 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.480 1.907 -2.910 1.00 0.00 H new ATOM 450 N VAL A 33 -0.397 4.815 -3.116 1.00 0.00 N ATOM 451 CA VAL A 33 0.418 5.556 -2.168 1.00 0.00 C ATOM 452 C VAL A 33 -0.430 6.654 -1.523 1.00 0.00 C ATOM 453 O VAL A 33 -1.135 7.386 -2.215 1.00 0.00 O ATOM 454 CB VAL A 33 1.668 6.097 -2.864 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.683 6.615 -1.844 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.294 5.035 -3.770 1.00 0.00 C ATOM 0 H VAL A 33 -0.466 5.239 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 33 0.765 4.901 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 33 1.366 6.936 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.562 6.994 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.234 7.418 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.978 5.803 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.181 5.445 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.575 4.167 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.573 4.735 -4.530 1.00 0.00 H new ATOM 466 N ARG A 34 -0.333 6.734 -0.204 1.00 0.00 N ATOM 467 CA ARG A 34 -1.082 7.731 0.543 1.00 0.00 C ATOM 468 C ARG A 34 -0.267 8.217 1.743 1.00 0.00 C ATOM 469 O ARG A 34 0.520 7.462 2.311 1.00 0.00 O ATOM 470 CB ARG A 34 -2.414 7.163 1.035 1.00 0.00 C ATOM 471 CG ARG A 34 -2.191 5.993 1.995 1.00 0.00 C ATOM 472 CD ARG A 34 -3.488 5.213 2.219 1.00 0.00 C ATOM 473 NE ARG A 34 -3.385 4.404 3.455 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.351 4.922 4.691 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.413 6.249 4.863 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.257 4.111 5.754 1.00 0.00 N ATOM 0 H ARG A 34 0.253 6.125 0.367 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.282 8.567 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.984 7.945 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.008 6.831 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.427 5.328 1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.818 6.366 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.328 5.903 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.684 4.564 1.365 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.337 3.390 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.486 6.865 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.387 6.643 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.211 3.101 5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.231 4.504 6.695 1.00 0.00 H new ATOM 490 N GLU A 35 -0.485 9.476 2.095 1.00 0.00 N ATOM 491 CA GLU A 35 0.219 10.072 3.217 1.00 0.00 C ATOM 492 C GLU A 35 -0.335 9.532 4.538 1.00 0.00 C ATOM 493 O GLU A 35 -1.547 9.400 4.699 1.00 0.00 O ATOM 494 CB GLU A 35 0.133 11.599 3.170 1.00 0.00 C ATOM 495 CG GLU A 35 1.493 12.234 3.463 1.00 0.00 C ATOM 496 CD GLU A 35 1.332 13.672 3.960 1.00 0.00 C ATOM 497 OE1 GLU A 35 0.635 14.439 3.260 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.908 13.972 5.027 1.00 0.00 O ATOM 0 H GLU A 35 -1.139 10.099 1.622 1.00 0.00 H new ATOM 0 HA GLU A 35 1.272 9.798 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.217 11.917 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.600 11.948 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.020 11.643 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.105 12.224 2.561 1.00 0.00 H new ATOM 505 N SER A 36 0.580 9.234 5.448 1.00 0.00 N ATOM 506 CA SER A 36 0.199 8.712 6.749 1.00 0.00 C ATOM 507 C SER A 36 -0.353 9.838 7.625 1.00 0.00 C ATOM 508 O SER A 36 0.297 10.868 7.801 1.00 0.00 O ATOM 509 CB SER A 36 1.385 8.036 7.441 1.00 0.00 C ATOM 510 OG SER A 36 1.092 6.691 7.810 1.00 0.00 O ATOM 0 H SER A 36 1.585 9.344 5.310 1.00 0.00 H new ATOM 0 HA SER A 36 -0.577 7.961 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.249 8.050 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.658 8.605 8.330 1.00 0.00 H new ATOM 0 HG SER A 36 1.874 6.294 8.247 1.00 0.00 H new ATOM 516 N LEU A 37 -1.548 9.606 8.149 1.00 0.00 N ATOM 517 CA LEU A 37 -2.195 10.588 9.002 1.00 0.00 C ATOM 518 C LEU A 37 -1.694 10.421 10.437 1.00 0.00 C ATOM 519 O LEU A 37 -1.502 11.404 11.150 1.00 0.00 O ATOM 520 CB LEU A 37 -3.716 10.496 8.866 1.00 0.00 C ATOM 521 CG LEU A 37 -4.321 11.163 7.629 1.00 0.00 C ATOM 522 CD1 LEU A 37 -3.622 10.687 6.353 1.00 0.00 C ATOM 523 CD2 LEU A 37 -5.834 10.940 7.570 1.00 0.00 C ATOM 0 H LEU A 37 -2.085 8.752 7.999 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.931 11.598 8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.997 9.443 8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.168 10.942 9.752 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.157 12.238 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.071 11.176 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.563 10.939 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.734 9.607 6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.239 11.424 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.043 9.871 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.299 11.366 8.459 1.00 0.00 H new ATOM 535 N SER A 38 -1.498 9.167 10.819 1.00 0.00 N ATOM 536 CA SER A 38 -1.023 8.858 12.157 1.00 0.00 C ATOM 537 C SER A 38 0.471 9.172 12.268 1.00 0.00 C ATOM 538 O SER A 38 1.001 9.300 13.370 1.00 0.00 O ATOM 539 CB SER A 38 -1.285 7.392 12.509 1.00 0.00 C ATOM 540 OG SER A 38 -2.352 7.250 13.443 1.00 0.00 O ATOM 0 H SER A 38 -1.660 8.354 10.225 1.00 0.00 H new ATOM 0 HA SER A 38 -1.571 9.478 12.866 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.522 6.838 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.379 6.951 12.924 1.00 0.00 H new ATOM 0 HG SER A 38 -2.489 6.300 13.641 1.00 0.00 H new ATOM 546 N GLN A 39 1.106 9.286 11.111 1.00 0.00 N ATOM 547 CA GLN A 39 2.528 9.582 11.064 1.00 0.00 C ATOM 548 C GLN A 39 2.808 10.680 10.037 1.00 0.00 C ATOM 549 O GLN A 39 2.761 10.435 8.832 1.00 0.00 O ATOM 550 CB GLN A 39 3.341 8.323 10.756 1.00 0.00 C ATOM 551 CG GLN A 39 3.826 7.654 12.044 1.00 0.00 C ATOM 552 CD GLN A 39 2.658 7.030 12.811 1.00 0.00 C ATOM 553 OE1 GLN A 39 1.863 6.275 12.275 1.00 0.00 O ATOM 554 NE2 GLN A 39 2.600 7.385 14.091 1.00 0.00 N ATOM 0 H GLN A 39 0.662 9.179 10.199 1.00 0.00 H new ATOM 0 HA GLN A 39 2.836 9.942 12.045 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.731 7.622 10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.197 8.582 10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.561 6.885 11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.328 8.389 12.673 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.298 8.021 14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.857 7.021 14.688 1.00 0.00 H new ATOM 563 N PRO A 40 3.100 11.900 10.564 1.00 0.00 N ATOM 564 CA PRO A 40 3.388 13.036 9.706 1.00 0.00 C ATOM 565 C PRO A 40 4.787 12.925 9.098 1.00 0.00 C ATOM 566 O PRO A 40 5.786 12.989 9.815 1.00 0.00 O ATOM 567 CB PRO A 40 3.223 14.255 10.599 1.00 0.00 C ATOM 568 CG PRO A 40 3.306 13.740 12.027 1.00 0.00 C ATOM 569 CD PRO A 40 3.165 12.227 11.985 1.00 0.00 C ATOM 0 HA PRO A 40 2.719 13.094 8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.003 14.991 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.268 14.747 10.416 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.256 14.023 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.518 14.180 12.638 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.012 11.737 12.466 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.267 11.898 12.508 1.00 0.00 H new ATOM 577 N GLY A 41 4.816 12.760 7.784 1.00 0.00 N ATOM 578 CA GLY A 41 6.077 12.639 7.072 1.00 0.00 C ATOM 579 C GLY A 41 6.187 11.280 6.379 1.00 0.00 C ATOM 580 O GLY A 41 6.707 11.186 5.268 1.00 0.00 O ATOM 0 H GLY A 41 3.986 12.707 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.159 13.436 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.906 12.764 7.769 1.00 0.00 H new ATOM 584 N ASP A 42 5.688 10.261 7.063 1.00 0.00 N ATOM 585 CA ASP A 42 5.724 8.911 6.526 1.00 0.00 C ATOM 586 C ASP A 42 4.597 8.742 5.506 1.00 0.00 C ATOM 587 O ASP A 42 3.883 9.696 5.201 1.00 0.00 O ATOM 588 CB ASP A 42 5.520 7.873 7.632 1.00 0.00 C ATOM 589 CG ASP A 42 6.581 7.886 8.734 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.937 9.003 9.166 1.00 0.00 O ATOM 591 OD2 ASP A 42 7.011 6.778 9.120 1.00 0.00 O ATOM 0 H ASP A 42 5.257 10.343 7.984 1.00 0.00 H new ATOM 0 HA ASP A 42 6.699 8.758 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.543 8.036 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.499 6.881 7.180 1.00 0.00 H new ATOM 596 N PHE A 43 4.472 7.522 5.005 1.00 0.00 N ATOM 597 CA PHE A 43 3.444 7.216 4.025 1.00 0.00 C ATOM 598 C PHE A 43 2.939 5.781 4.190 1.00 0.00 C ATOM 599 O PHE A 43 3.603 4.953 4.811 1.00 0.00 O ATOM 600 CB PHE A 43 4.084 7.364 2.644 1.00 0.00 C ATOM 601 CG PHE A 43 4.620 8.767 2.353 1.00 0.00 C ATOM 602 CD1 PHE A 43 5.878 9.109 2.742 1.00 0.00 C ATOM 603 CD2 PHE A 43 3.839 9.672 1.705 1.00 0.00 C ATOM 604 CE1 PHE A 43 6.375 10.411 2.472 1.00 0.00 C ATOM 605 CE2 PHE A 43 4.336 10.975 1.435 1.00 0.00 C ATOM 606 CZ PHE A 43 5.593 11.317 1.824 1.00 0.00 C ATOM 0 H PHE A 43 5.066 6.733 5.260 1.00 0.00 H new ATOM 0 HA PHE A 43 2.595 7.888 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.901 6.648 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.348 7.103 1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.498 8.390 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.841 9.400 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.374 10.683 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.715 11.694 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.971 12.308 1.619 1.00 0.00 H new ATOM 616 N VAL A 44 1.768 5.531 3.622 1.00 0.00 N ATOM 617 CA VAL A 44 1.166 4.210 3.698 1.00 0.00 C ATOM 618 C VAL A 44 0.976 3.659 2.284 1.00 0.00 C ATOM 619 O VAL A 44 0.717 4.416 1.349 1.00 0.00 O ATOM 620 CB VAL A 44 -0.138 4.275 4.496 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.723 2.876 4.702 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.072 4.985 5.834 1.00 0.00 C ATOM 0 H VAL A 44 1.220 6.220 3.107 1.00 0.00 H new ATOM 0 HA VAL A 44 1.822 3.521 4.229 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.856 4.857 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.649 2.949 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.928 2.421 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.009 2.260 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.870 5.017 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.814 4.443 6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.423 6.001 5.655 1.00 0.00 H new ATOM 632 N LEU A 45 1.112 2.346 2.171 1.00 0.00 N ATOM 633 CA LEU A 45 0.958 1.685 0.887 1.00 0.00 C ATOM 634 C LEU A 45 -0.056 0.548 1.021 1.00 0.00 C ATOM 635 O LEU A 45 0.293 -0.553 1.447 1.00 0.00 O ATOM 636 CB LEU A 45 2.318 1.236 0.349 1.00 0.00 C ATOM 637 CG LEU A 45 2.289 0.388 -0.924 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.708 1.180 -2.097 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.678 -0.171 -1.243 1.00 0.00 C ATOM 0 H LEU A 45 1.327 1.722 2.949 1.00 0.00 H new ATOM 0 HA LEU A 45 0.562 2.380 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.921 2.123 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.825 0.668 1.129 1.00 0.00 H new ATOM 0 HG LEU A 45 1.631 -0.463 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.699 0.554 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.690 1.488 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.321 2.063 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.629 -0.770 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.377 0.653 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.018 -0.794 -0.416 1.00 0.00 H new ATOM 651 N SER A 46 -1.291 0.852 0.651 1.00 0.00 N ATOM 652 CA SER A 46 -2.358 -0.131 0.726 1.00 0.00 C ATOM 653 C SER A 46 -2.447 -0.908 -0.589 1.00 0.00 C ATOM 654 O SER A 46 -2.631 -0.317 -1.652 1.00 0.00 O ATOM 655 CB SER A 46 -3.700 0.534 1.040 1.00 0.00 C ATOM 656 OG SER A 46 -3.594 1.471 2.108 1.00 0.00 O ATOM 0 H SER A 46 -1.577 1.765 0.298 1.00 0.00 H new ATOM 0 HA SER A 46 -2.128 -0.823 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.071 1.040 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.432 -0.231 1.300 1.00 0.00 H new ATOM 0 HG SER A 46 -3.363 0.999 2.935 1.00 0.00 H new ATOM 662 N VAL A 47 -2.311 -2.221 -0.474 1.00 0.00 N ATOM 663 CA VAL A 47 -2.373 -3.085 -1.641 1.00 0.00 C ATOM 664 C VAL A 47 -3.516 -4.087 -1.468 1.00 0.00 C ATOM 665 O VAL A 47 -3.683 -4.665 -0.395 1.00 0.00 O ATOM 666 CB VAL A 47 -1.017 -3.758 -1.866 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.125 -4.871 -2.910 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.044 -2.732 -2.267 1.00 0.00 C ATOM 0 H VAL A 47 -2.158 -2.708 0.409 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.585 -2.502 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.707 -4.210 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.148 -5.333 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.836 -5.623 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.468 -4.451 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.998 -3.236 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.258 -2.238 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.149 -1.990 -1.476 1.00 0.00 H new ATOM 678 N LEU A 48 -4.274 -4.262 -2.540 1.00 0.00 N ATOM 679 CA LEU A 48 -5.397 -5.184 -2.521 1.00 0.00 C ATOM 680 C LEU A 48 -4.906 -6.586 -2.887 1.00 0.00 C ATOM 681 O LEU A 48 -4.199 -6.761 -3.879 1.00 0.00 O ATOM 682 CB LEU A 48 -6.525 -4.674 -3.419 1.00 0.00 C ATOM 683 CG LEU A 48 -7.921 -5.225 -3.121 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.346 -4.899 -1.688 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.939 -4.725 -4.149 1.00 0.00 C ATOM 0 H LEU A 48 -4.133 -3.781 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.822 -5.246 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.561 -3.587 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.275 -4.912 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.884 -6.311 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.342 -5.302 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.639 -5.344 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.361 -3.818 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.923 -5.131 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.980 -3.636 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.640 -5.051 -5.145 1.00 0.00 H new ATOM 697 N SER A 49 -5.300 -7.550 -2.067 1.00 0.00 N ATOM 698 CA SER A 49 -4.909 -8.931 -2.292 1.00 0.00 C ATOM 699 C SER A 49 -5.989 -9.655 -3.098 1.00 0.00 C ATOM 700 O SER A 49 -7.121 -9.182 -3.192 1.00 0.00 O ATOM 701 CB SER A 49 -4.659 -9.655 -0.968 1.00 0.00 C ATOM 702 OG SER A 49 -5.769 -10.461 -0.582 1.00 0.00 O ATOM 0 H SER A 49 -5.886 -7.401 -1.246 1.00 0.00 H new ATOM 0 HA SER A 49 -3.978 -8.936 -2.858 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.771 -10.281 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.454 -8.922 -0.187 1.00 0.00 H new ATOM 0 HG SER A 49 -5.639 -10.779 0.336 1.00 0.00 H new ATOM 708 N ASP A 50 -5.602 -10.792 -3.658 1.00 0.00 N ATOM 709 CA ASP A 50 -6.523 -11.587 -4.453 1.00 0.00 C ATOM 710 C ASP A 50 -7.128 -12.686 -3.577 1.00 0.00 C ATOM 711 O ASP A 50 -7.589 -13.706 -4.085 1.00 0.00 O ATOM 712 CB ASP A 50 -5.803 -12.258 -5.623 1.00 0.00 C ATOM 713 CG ASP A 50 -5.084 -13.564 -5.277 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.789 -13.748 -4.077 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.848 -14.349 -6.221 1.00 0.00 O ATOM 0 H ASP A 50 -4.663 -11.182 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.296 -10.922 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.530 -12.458 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.075 -11.557 -6.032 1.00 0.00 H new ATOM 720 N GLN A 51 -7.108 -12.439 -2.275 1.00 0.00 N ATOM 721 CA GLN A 51 -7.649 -13.395 -1.324 1.00 0.00 C ATOM 722 C GLN A 51 -8.837 -12.786 -0.577 1.00 0.00 C ATOM 723 O GLN A 51 -8.672 -11.844 0.197 1.00 0.00 O ATOM 724 CB GLN A 51 -6.570 -13.866 -0.346 1.00 0.00 C ATOM 725 CG GLN A 51 -5.571 -14.795 -1.038 1.00 0.00 C ATOM 726 CD GLN A 51 -5.307 -16.043 -0.194 1.00 0.00 C ATOM 727 OE1 GLN A 51 -6.188 -16.582 0.456 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.048 -16.470 -0.239 1.00 0.00 N ATOM 0 H GLN A 51 -6.726 -11.591 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.000 -14.268 -1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.045 -13.004 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.035 -14.386 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.957 -15.087 -2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.635 -14.264 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.360 -15.972 -0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.770 -17.296 0.291 1.00 0.00 H new ATOM 737 N PRO A 52 -10.040 -13.363 -0.842 1.00 0.00 N ATOM 738 CA PRO A 52 -11.255 -12.887 -0.204 1.00 0.00 C ATOM 739 C PRO A 52 -11.321 -13.339 1.256 1.00 0.00 C ATOM 740 O PRO A 52 -10.536 -14.184 1.684 1.00 0.00 O ATOM 741 CB PRO A 52 -12.388 -13.445 -1.051 1.00 0.00 C ATOM 742 CG PRO A 52 -11.786 -14.588 -1.852 1.00 0.00 C ATOM 743 CD PRO A 52 -10.273 -14.480 -1.753 1.00 0.00 C ATOM 0 HA PRO A 52 -11.308 -11.799 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.208 -13.797 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.797 -12.679 -1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.127 -15.548 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.105 -14.535 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.834 -15.401 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.824 -14.295 -2.729 1.00 0.00 H new ATOM 751 N LYS A 53 -12.266 -12.757 1.980 1.00 0.00 N ATOM 752 CA LYS A 53 -12.444 -13.089 3.384 1.00 0.00 C ATOM 753 C LYS A 53 -13.556 -14.132 3.519 1.00 0.00 C ATOM 754 O LYS A 53 -13.444 -15.065 4.313 1.00 0.00 O ATOM 755 CB LYS A 53 -12.686 -11.823 4.208 1.00 0.00 C ATOM 756 CG LYS A 53 -11.564 -10.805 3.990 1.00 0.00 C ATOM 757 CD LYS A 53 -11.698 -9.626 4.956 1.00 0.00 C ATOM 758 CE LYS A 53 -10.951 -9.900 6.262 1.00 0.00 C ATOM 759 NZ LYS A 53 -11.702 -9.353 7.414 1.00 0.00 N ATOM 0 H LYS A 53 -12.916 -12.058 1.621 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.535 -13.535 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.643 -11.381 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.749 -12.079 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.597 -11.288 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.591 -10.443 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.304 -8.723 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.751 -9.442 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.810 -10.973 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.959 -9.451 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.181 -9.548 8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.814 -8.326 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.640 -9.801 7.461 1.00 0.00 H new ATOM 773 N ALA A 54 -14.603 -13.939 2.731 1.00 0.00 N ATOM 774 CA ALA A 54 -15.734 -14.851 2.753 1.00 0.00 C ATOM 775 C ALA A 54 -15.973 -15.394 1.342 1.00 0.00 C ATOM 776 O ALA A 54 -17.114 -15.634 0.950 1.00 0.00 O ATOM 777 CB ALA A 54 -16.961 -14.130 3.315 1.00 0.00 C ATOM 0 H ALA A 54 -14.692 -13.165 2.073 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.529 -15.701 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.809 -14.814 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.750 -13.789 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.199 -13.272 2.686 1.00 0.00 H new ATOM 783 N GLY A 55 -14.878 -15.573 0.618 1.00 0.00 N ATOM 784 CA GLY A 55 -14.953 -16.084 -0.740 1.00 0.00 C ATOM 785 C GLY A 55 -15.659 -15.087 -1.662 1.00 0.00 C ATOM 786 O GLY A 55 -15.375 -13.891 -1.622 1.00 0.00 O ATOM 0 H GLY A 55 -13.933 -15.373 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.949 -16.282 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.489 -17.033 -0.746 1.00 0.00 H new ATOM 790 N PRO A 56 -16.589 -15.631 -2.492 1.00 0.00 N ATOM 791 CA PRO A 56 -17.337 -14.803 -3.422 1.00 0.00 C ATOM 792 C PRO A 56 -18.411 -13.992 -2.694 1.00 0.00 C ATOM 793 O PRO A 56 -19.110 -14.517 -1.829 1.00 0.00 O ATOM 794 CB PRO A 56 -17.914 -15.775 -4.438 1.00 0.00 C ATOM 795 CG PRO A 56 -17.858 -17.145 -3.782 1.00 0.00 C ATOM 796 CD PRO A 56 -16.951 -17.043 -2.566 1.00 0.00 C ATOM 0 HA PRO A 56 -16.714 -14.056 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.938 -15.507 -4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.338 -15.761 -5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.856 -17.468 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.476 -17.888 -4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.464 -17.368 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.068 -17.673 -2.676 1.00 0.00 H new ATOM 804 N GLY A 57 -18.507 -12.725 -3.069 1.00 0.00 N ATOM 805 CA GLY A 57 -19.484 -11.837 -2.463 1.00 0.00 C ATOM 806 C GLY A 57 -18.858 -11.031 -1.322 1.00 0.00 C ATOM 807 O GLY A 57 -19.483 -10.116 -0.788 1.00 0.00 O ATOM 0 H GLY A 57 -17.924 -12.292 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.881 -11.158 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.324 -12.419 -2.084 1.00 0.00 H new ATOM 811 N SER A 58 -17.631 -11.400 -0.983 1.00 0.00 N ATOM 812 CA SER A 58 -16.914 -10.723 0.083 1.00 0.00 C ATOM 813 C SER A 58 -15.750 -9.918 -0.497 1.00 0.00 C ATOM 814 O SER A 58 -15.227 -10.254 -1.559 1.00 0.00 O ATOM 815 CB SER A 58 -16.403 -11.721 1.124 1.00 0.00 C ATOM 816 OG SER A 58 -15.852 -12.888 0.518 1.00 0.00 O ATOM 0 H SER A 58 -17.116 -12.159 -1.428 1.00 0.00 H new ATOM 0 HA SER A 58 -17.605 -10.042 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.645 -11.242 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.221 -12.007 1.785 1.00 0.00 H new ATOM 0 HG SER A 58 -15.538 -12.671 -0.385 1.00 0.00 H new ATOM 822 N PRO A 59 -15.367 -8.844 0.244 1.00 0.00 N ATOM 823 CA PRO A 59 -14.274 -7.989 -0.186 1.00 0.00 C ATOM 824 C PRO A 59 -12.923 -8.670 0.041 1.00 0.00 C ATOM 825 O PRO A 59 -12.782 -9.490 0.947 1.00 0.00 O ATOM 826 CB PRO A 59 -14.436 -6.709 0.617 1.00 0.00 C ATOM 827 CG PRO A 59 -15.328 -7.066 1.795 1.00 0.00 C ATOM 828 CD PRO A 59 -15.963 -8.416 1.506 1.00 0.00 C ATOM 0 HA PRO A 59 -14.301 -7.779 -1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.470 -6.337 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.885 -5.922 0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.746 -7.107 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.096 -6.305 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.756 -9.130 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.047 -8.334 1.424 1.00 0.00 H new ATOM 836 N LEU A 60 -11.964 -8.306 -0.798 1.00 0.00 N ATOM 837 CA LEU A 60 -10.629 -8.871 -0.700 1.00 0.00 C ATOM 838 C LEU A 60 -9.844 -8.130 0.384 1.00 0.00 C ATOM 839 O LEU A 60 -9.811 -6.900 0.399 1.00 0.00 O ATOM 840 CB LEU A 60 -9.944 -8.867 -2.068 1.00 0.00 C ATOM 841 CG LEU A 60 -10.619 -9.701 -3.159 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.071 -9.342 -4.541 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.493 -11.197 -2.863 1.00 0.00 C ATOM 0 H LEU A 60 -12.085 -7.626 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.679 -9.917 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.877 -7.836 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.923 -9.228 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.683 -9.462 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.567 -9.949 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.256 -8.287 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.998 -9.534 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.981 -11.767 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.439 -11.471 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.969 -11.420 -1.908 1.00 0.00 H new ATOM 855 N ARG A 61 -9.231 -8.908 1.263 1.00 0.00 N ATOM 856 CA ARG A 61 -8.448 -8.341 2.347 1.00 0.00 C ATOM 857 C ARG A 61 -7.538 -7.230 1.820 1.00 0.00 C ATOM 858 O ARG A 61 -7.170 -7.229 0.646 1.00 0.00 O ATOM 859 CB ARG A 61 -7.593 -9.411 3.028 1.00 0.00 C ATOM 860 CG ARG A 61 -8.166 -9.782 4.397 1.00 0.00 C ATOM 861 CD ARG A 61 -7.630 -11.136 4.868 1.00 0.00 C ATOM 862 NE ARG A 61 -7.074 -11.013 6.234 1.00 0.00 N ATOM 863 CZ ARG A 61 -6.664 -12.052 6.974 1.00 0.00 C ATOM 864 NH1 ARG A 61 -6.744 -13.297 6.485 1.00 0.00 N ATOM 865 NH2 ARG A 61 -6.172 -11.846 8.203 1.00 0.00 N ATOM 0 H ARG A 61 -9.261 -9.927 1.247 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.144 -7.929 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.545 -10.299 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.572 -9.047 3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.908 -9.012 5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.254 -9.817 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.430 -11.877 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.859 -11.489 4.183 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.998 -10.079 6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.117 -13.454 5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.432 -14.087 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.110 -10.898 8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.860 -12.637 8.767 1.00 0.00 H new ATOM 879 N VAL A 62 -7.201 -6.311 2.713 1.00 0.00 N ATOM 880 CA VAL A 62 -6.340 -5.197 2.352 1.00 0.00 C ATOM 881 C VAL A 62 -5.015 -5.316 3.106 1.00 0.00 C ATOM 882 O VAL A 62 -4.974 -5.845 4.216 1.00 0.00 O ATOM 883 CB VAL A 62 -7.061 -3.873 2.614 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.145 -2.683 2.320 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.355 -3.783 1.804 1.00 0.00 C ATOM 0 H VAL A 62 -7.508 -6.315 3.686 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.110 -5.222 1.287 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.326 -3.839 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.681 -1.754 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.265 -2.734 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.835 -2.712 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.847 -2.832 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.124 -3.850 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.017 -4.602 2.084 1.00 0.00 H new ATOM 895 N THR A 63 -3.963 -4.816 2.474 1.00 0.00 N ATOM 896 CA THR A 63 -2.640 -4.860 3.072 1.00 0.00 C ATOM 897 C THR A 63 -1.974 -3.485 2.994 1.00 0.00 C ATOM 898 O THR A 63 -1.773 -2.949 1.905 1.00 0.00 O ATOM 899 CB THR A 63 -1.842 -5.963 2.374 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.258 -7.159 3.026 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.343 -5.879 2.671 1.00 0.00 C ATOM 0 H THR A 63 -4.000 -4.378 1.553 1.00 0.00 H new ATOM 0 HA THR A 63 -2.693 -5.101 4.134 1.00 0.00 H new ATOM 0 HB THR A 63 -2.003 -5.901 1.298 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.206 -7.909 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.177 -6.684 2.152 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.042 -4.919 2.329 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.179 -5.974 3.744 1.00 0.00 H new ATOM 909 N HIS A 64 -1.649 -2.953 4.163 1.00 0.00 N ATOM 910 CA HIS A 64 -1.009 -1.651 4.241 1.00 0.00 C ATOM 911 C HIS A 64 0.485 -1.829 4.520 1.00 0.00 C ATOM 912 O HIS A 64 0.866 -2.376 5.553 1.00 0.00 O ATOM 913 CB HIS A 64 -1.704 -0.765 5.277 1.00 0.00 C ATOM 914 CG HIS A 64 -3.194 -0.631 5.071 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.789 0.543 4.645 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.201 -1.536 5.234 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.096 0.343 4.561 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.350 -0.946 4.927 1.00 0.00 N ATOM 0 H HIS A 64 -1.817 -3.400 5.064 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.106 -1.137 3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.520 -1.173 6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.254 0.227 5.252 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.304 1.415 4.432 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.084 -2.560 5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.831 1.073 4.256 1.00 0.00 H new ATOM 926 N ILE A 65 1.289 -1.356 3.580 1.00 0.00 N ATOM 927 CA ILE A 65 2.733 -1.456 3.711 1.00 0.00 C ATOM 928 C ILE A 65 3.289 -0.119 4.206 1.00 0.00 C ATOM 929 O ILE A 65 3.590 0.766 3.408 1.00 0.00 O ATOM 930 CB ILE A 65 3.358 -1.933 2.399 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.855 -3.330 2.028 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.886 -1.874 2.466 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.863 -3.264 0.865 1.00 0.00 C ATOM 0 H ILE A 65 0.969 -0.902 2.724 1.00 0.00 H new ATOM 0 HA ILE A 65 2.997 -2.207 4.455 1.00 0.00 H new ATOM 0 HB ILE A 65 3.044 -1.256 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.699 -3.964 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.377 -3.790 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.305 -2.218 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.203 -0.848 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.240 -2.514 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.521 -4.270 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.009 -2.649 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.351 -2.826 -0.005 1.00 0.00 H new ATOM 945 N LYS A 66 3.410 -0.016 5.522 1.00 0.00 N ATOM 946 CA LYS A 66 3.925 1.197 6.133 1.00 0.00 C ATOM 947 C LYS A 66 5.282 1.538 5.515 1.00 0.00 C ATOM 948 O LYS A 66 6.054 0.644 5.173 1.00 0.00 O ATOM 949 CB LYS A 66 3.960 1.056 7.656 1.00 0.00 C ATOM 950 CG LYS A 66 2.666 1.576 8.286 1.00 0.00 C ATOM 951 CD LYS A 66 1.907 0.449 8.990 1.00 0.00 C ATOM 952 CE LYS A 66 0.753 -0.059 8.123 1.00 0.00 C ATOM 953 NZ LYS A 66 -0.514 0.599 8.510 1.00 0.00 N ATOM 0 H LYS A 66 3.160 -0.753 6.181 1.00 0.00 H new ATOM 0 HA LYS A 66 3.262 2.038 5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.104 0.009 7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.811 1.608 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.897 2.366 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.035 2.019 7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.590 -0.372 9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.520 0.807 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.966 0.138 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.657 -1.139 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.287 0.243 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.723 0.390 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.424 1.627 8.383 1.00 0.00 H new ATOM 967 N VAL A 67 5.532 2.833 5.392 1.00 0.00 N ATOM 968 CA VAL A 67 6.782 3.303 4.821 1.00 0.00 C ATOM 969 C VAL A 67 7.528 4.144 5.859 1.00 0.00 C ATOM 970 O VAL A 67 7.007 5.150 6.338 1.00 0.00 O ATOM 971 CB VAL A 67 6.512 4.062 3.520 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.779 4.756 3.016 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.936 3.130 2.452 1.00 0.00 C ATOM 0 H VAL A 67 4.890 3.572 5.678 1.00 0.00 H new ATOM 0 HA VAL A 67 7.423 2.460 4.563 1.00 0.00 H new ATOM 0 HB VAL A 67 5.770 4.832 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.559 5.288 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.129 5.464 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.553 4.011 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.753 3.694 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.645 2.328 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.999 2.703 2.809 1.00 0.00 H new ATOM 983 N MET A 68 8.735 3.701 6.177 1.00 0.00 N ATOM 984 CA MET A 68 9.557 4.400 7.150 1.00 0.00 C ATOM 985 C MET A 68 10.503 5.386 6.461 1.00 0.00 C ATOM 986 O MET A 68 11.332 4.989 5.645 1.00 0.00 O ATOM 987 CB MET A 68 10.374 3.385 7.952 1.00 0.00 C ATOM 988 CG MET A 68 9.504 2.687 9.000 1.00 0.00 C ATOM 989 SD MET A 68 10.189 1.086 9.393 1.00 0.00 S ATOM 990 CE MET A 68 9.198 0.054 8.326 1.00 0.00 C ATOM 0 H MET A 68 9.164 2.866 5.778 1.00 0.00 H new ATOM 0 HA MET A 68 8.901 4.960 7.817 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.803 2.644 7.278 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.207 3.889 8.443 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.445 3.298 9.901 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.487 2.574 8.624 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.328 -0.991 8.607 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.148 0.329 8.427 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.512 0.193 7.291 1.00 0.00 H new ATOM 1000 N CYS A 69 10.345 6.653 6.815 1.00 0.00 N ATOM 1001 CA CYS A 69 11.175 7.699 6.242 1.00 0.00 C ATOM 1002 C CYS A 69 12.327 7.983 7.207 1.00 0.00 C ATOM 1003 O CYS A 69 12.167 8.736 8.167 1.00 0.00 O ATOM 1004 CB CYS A 69 10.364 8.960 5.935 1.00 0.00 C ATOM 1005 SG CYS A 69 9.436 9.484 7.423 1.00 0.00 S ATOM 0 H CYS A 69 9.655 6.979 7.491 1.00 0.00 H new ATOM 0 HA CYS A 69 11.578 7.363 5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 69 11.029 9.760 5.610 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.673 8.767 5.114 1.00 0.00 H new ATOM 0 HG CYS A 69 10.178 9.320 8.478 1.00 0.00 H new ATOM 1011 N GLU A 70 13.463 7.365 6.920 1.00 0.00 N ATOM 1012 CA GLU A 70 14.642 7.541 7.751 1.00 0.00 C ATOM 1013 C GLU A 70 15.822 8.022 6.904 1.00 0.00 C ATOM 1014 O GLU A 70 16.209 7.362 5.941 1.00 0.00 O ATOM 1015 CB GLU A 70 14.990 6.248 8.491 1.00 0.00 C ATOM 1016 CG GLU A 70 13.774 5.702 9.243 1.00 0.00 C ATOM 1017 CD GLU A 70 14.128 5.380 10.696 1.00 0.00 C ATOM 1018 OE1 GLU A 70 14.811 6.224 11.314 1.00 0.00 O ATOM 1019 OE2 GLU A 70 13.707 4.296 11.156 1.00 0.00 O ATOM 0 H GLU A 70 13.592 6.741 6.123 1.00 0.00 H new ATOM 0 HA GLU A 70 14.423 8.302 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.347 5.503 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.803 6.434 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.966 6.433 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.408 4.803 8.746 1.00 0.00 H new ATOM 1026 N GLY A 71 16.360 9.168 7.293 1.00 0.00 N ATOM 1027 CA GLY A 71 17.488 9.746 6.582 1.00 0.00 C ATOM 1028 C GLY A 71 17.120 10.050 5.128 1.00 0.00 C ATOM 1029 O GLY A 71 17.932 9.854 4.225 1.00 0.00 O ATOM 0 H GLY A 71 16.036 9.713 8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.806 10.662 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.333 9.058 6.611 1.00 0.00 H new ATOM 1033 N GLY A 72 15.897 10.525 4.947 1.00 0.00 N ATOM 1034 CA GLY A 72 15.412 10.859 3.619 1.00 0.00 C ATOM 1035 C GLY A 72 15.261 9.603 2.759 1.00 0.00 C ATOM 1036 O GLY A 72 15.104 9.695 1.542 1.00 0.00 O ATOM 0 H GLY A 72 15.227 10.687 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.452 11.369 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.103 11.552 3.139 1.00 0.00 H new ATOM 1040 N ARG A 73 15.314 8.459 3.424 1.00 0.00 N ATOM 1041 CA ARG A 73 15.184 7.186 2.736 1.00 0.00 C ATOM 1042 C ARG A 73 13.919 6.459 3.197 1.00 0.00 C ATOM 1043 O ARG A 73 13.600 6.454 4.385 1.00 0.00 O ATOM 1044 CB ARG A 73 16.400 6.293 2.995 1.00 0.00 C ATOM 1045 CG ARG A 73 17.589 6.724 2.135 1.00 0.00 C ATOM 1046 CD ARG A 73 18.788 5.798 2.354 1.00 0.00 C ATOM 1047 NE ARG A 73 19.522 5.612 1.082 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.180 6.589 0.444 1.00 0.00 C ATOM 1049 NH1 ARG A 73 20.198 7.828 0.954 1.00 0.00 N ATOM 1050 NH2 ARG A 73 20.818 6.328 -0.705 1.00 0.00 N ATOM 0 H ARG A 73 15.445 8.387 4.433 1.00 0.00 H new ATOM 0 HA ARG A 73 15.119 7.392 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.673 6.341 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.147 5.255 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.304 6.714 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.867 7.749 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.452 6.221 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.449 4.834 2.732 1.00 0.00 H new ATOM 0 HE ARG A 73 19.527 4.681 0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.711 8.027 1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 73 20.699 8.572 0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 73 20.803 5.385 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 73 21.319 7.072 -1.191 1.00 0.00 H new ATOM 1064 N TYR A 74 13.233 5.864 2.233 1.00 0.00 N ATOM 1065 CA TYR A 74 12.010 5.136 2.526 1.00 0.00 C ATOM 1066 C TYR A 74 12.274 3.631 2.610 1.00 0.00 C ATOM 1067 O TYR A 74 13.074 3.094 1.846 1.00 0.00 O ATOM 1068 CB TYR A 74 11.065 5.410 1.354 1.00 0.00 C ATOM 1069 CG TYR A 74 10.597 6.864 1.259 1.00 0.00 C ATOM 1070 CD1 TYR A 74 10.072 7.493 2.370 1.00 0.00 C ATOM 1071 CD2 TYR A 74 10.700 7.545 0.064 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.631 8.861 2.281 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.259 8.914 -0.025 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.747 9.504 1.088 1.00 0.00 C ATOM 1075 OH TYR A 74 9.330 10.796 1.004 1.00 0.00 O ATOM 0 H TYR A 74 13.500 5.871 1.249 1.00 0.00 H new ATOM 0 HA TYR A 74 11.594 5.454 3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.567 5.139 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.192 4.763 1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.992 6.959 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.111 7.052 -0.805 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.218 9.365 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.333 9.459 -0.954 1.00 0.00 H new ATOM 0 HH TYR A 74 8.393 10.856 1.285 1.00 0.00 H new ATOM 1085 N THR A 75 11.586 2.993 3.546 1.00 0.00 N ATOM 1086 CA THR A 75 11.737 1.561 3.741 1.00 0.00 C ATOM 1087 C THR A 75 10.481 0.976 4.390 1.00 0.00 C ATOM 1088 O THR A 75 9.849 1.625 5.223 1.00 0.00 O ATOM 1089 CB THR A 75 13.009 1.326 4.557 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.856 0.003 5.064 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.070 2.201 5.811 1.00 0.00 C ATOM 0 H THR A 75 10.923 3.442 4.178 1.00 0.00 H new ATOM 0 HA THR A 75 11.845 1.041 2.789 1.00 0.00 H new ATOM 0 HB THR A 75 13.882 1.523 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.730 -0.439 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.992 1.995 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.046 3.252 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.215 1.980 6.451 1.00 0.00 H new ATOM 1099 N VAL A 76 10.157 -0.243 3.985 1.00 0.00 N ATOM 1100 CA VAL A 76 8.988 -0.922 4.517 1.00 0.00 C ATOM 1101 C VAL A 76 9.381 -1.690 5.780 1.00 0.00 C ATOM 1102 O VAL A 76 8.576 -2.441 6.330 1.00 0.00 O ATOM 1103 CB VAL A 76 8.368 -1.817 3.442 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.270 -1.080 2.104 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.155 -3.121 3.293 1.00 0.00 C ATOM 0 H VAL A 76 10.684 -0.778 3.295 1.00 0.00 H new ATOM 0 HA VAL A 76 8.223 -0.199 4.800 1.00 0.00 H new ATOM 0 HB VAL A 76 7.357 -2.070 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.826 -1.739 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.647 -0.193 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.267 -0.783 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.693 -3.739 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.183 -2.895 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.150 -3.659 4.241 1.00 0.00 H new ATOM 1115 N GLY A 77 10.618 -1.476 6.204 1.00 0.00 N ATOM 1116 CA GLY A 77 11.128 -2.139 7.392 1.00 0.00 C ATOM 1117 C GLY A 77 12.284 -3.078 7.043 1.00 0.00 C ATOM 1118 O GLY A 77 12.781 -3.803 7.903 1.00 0.00 O ATOM 0 H GLY A 77 11.282 -0.852 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.465 -1.394 8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.327 -2.704 7.869 1.00 0.00 H new ATOM 1122 N GLY A 78 12.678 -3.034 5.778 1.00 0.00 N ATOM 1123 CA GLY A 78 13.767 -3.873 5.305 1.00 0.00 C ATOM 1124 C GLY A 78 15.073 -3.080 5.222 1.00 0.00 C ATOM 1125 O GLY A 78 15.089 -1.875 5.467 1.00 0.00 O ATOM 0 H GLY A 78 12.263 -2.431 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.895 -4.722 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.520 -4.277 4.323 1.00 0.00 H new ATOM 1129 N LEU A 79 16.137 -3.790 4.877 1.00 0.00 N ATOM 1130 CA LEU A 79 17.445 -3.168 4.759 1.00 0.00 C ATOM 1131 C LEU A 79 17.452 -2.229 3.551 1.00 0.00 C ATOM 1132 O LEU A 79 18.039 -1.149 3.602 1.00 0.00 O ATOM 1133 CB LEU A 79 18.543 -4.233 4.716 1.00 0.00 C ATOM 1134 CG LEU A 79 19.148 -4.626 6.065 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.224 -6.148 6.209 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.511 -3.962 6.270 1.00 0.00 C ATOM 0 H LEU A 79 16.120 -4.790 4.675 1.00 0.00 H new ATOM 0 HA LEU A 79 17.657 -2.559 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.135 -5.129 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.345 -3.874 4.071 1.00 0.00 H new ATOM 0 HG LEU A 79 18.491 -4.260 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.658 -6.401 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.222 -6.571 6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.847 -6.558 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.918 -4.258 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.191 -4.275 5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.396 -2.878 6.242 1.00 0.00 H new ATOM 1148 N GLU A 80 16.792 -2.675 2.491 1.00 0.00 N ATOM 1149 CA GLU A 80 16.715 -1.888 1.272 1.00 0.00 C ATOM 1150 C GLU A 80 15.979 -0.573 1.535 1.00 0.00 C ATOM 1151 O GLU A 80 15.109 -0.507 2.402 1.00 0.00 O ATOM 1152 CB GLU A 80 16.039 -2.680 0.151 1.00 0.00 C ATOM 1153 CG GLU A 80 16.812 -3.964 -0.156 1.00 0.00 C ATOM 1154 CD GLU A 80 15.952 -5.200 0.119 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.755 -5.499 1.316 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.512 -5.818 -0.875 1.00 0.00 O ATOM 0 H GLU A 80 16.306 -3.571 2.452 1.00 0.00 H new ATOM 0 HA GLU A 80 17.729 -1.655 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.017 -2.927 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.977 -2.065 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.129 -3.962 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.716 -4.003 0.452 1.00 0.00 H new ATOM 1163 N THR A 81 16.356 0.442 0.771 1.00 0.00 N ATOM 1164 CA THR A 81 15.742 1.752 0.910 1.00 0.00 C ATOM 1165 C THR A 81 15.460 2.357 -0.466 1.00 0.00 C ATOM 1166 O THR A 81 15.658 1.703 -1.489 1.00 0.00 O ATOM 1167 CB THR A 81 16.662 2.614 1.777 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.975 2.196 1.414 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.559 2.269 3.264 1.00 0.00 C ATOM 0 H THR A 81 17.079 0.384 0.054 1.00 0.00 H new ATOM 0 HA THR A 81 14.773 1.685 1.405 1.00 0.00 H new ATOM 0 HB THR A 81 16.416 3.666 1.631 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.635 2.706 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.232 2.910 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.535 2.425 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.836 1.226 3.416 1.00 0.00 H new ATOM 1177 N PHE A 82 15.002 3.601 -0.447 1.00 0.00 N ATOM 1178 CA PHE A 82 14.690 4.302 -1.681 1.00 0.00 C ATOM 1179 C PHE A 82 14.703 5.817 -1.468 1.00 0.00 C ATOM 1180 O PHE A 82 14.494 6.293 -0.354 1.00 0.00 O ATOM 1181 CB PHE A 82 13.283 3.869 -2.098 1.00 0.00 C ATOM 1182 CG PHE A 82 13.013 2.374 -1.921 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.421 1.492 -2.872 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.366 1.927 -0.811 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.171 0.104 -2.707 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.115 0.539 -0.647 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.523 -0.344 -1.598 1.00 0.00 C ATOM 0 H PHE A 82 14.840 4.141 0.403 1.00 0.00 H new ATOM 0 HA PHE A 82 15.431 4.063 -2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.553 4.431 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.127 4.134 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.935 1.847 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.043 2.627 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.495 -0.596 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.600 0.184 0.233 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.333 -1.400 -1.473 1.00 0.00 H new ATOM 1197 N ASP A 83 14.951 6.533 -2.556 1.00 0.00 N ATOM 1198 CA ASP A 83 14.994 7.984 -2.502 1.00 0.00 C ATOM 1199 C ASP A 83 13.596 8.542 -2.778 1.00 0.00 C ATOM 1200 O ASP A 83 13.214 9.571 -2.223 1.00 0.00 O ATOM 1201 CB ASP A 83 15.945 8.546 -3.561 1.00 0.00 C ATOM 1202 CG ASP A 83 17.303 9.010 -3.030 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.300 9.686 -1.979 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.313 8.677 -3.687 1.00 0.00 O ATOM 0 H ASP A 83 15.124 6.135 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 83 15.344 8.275 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.111 7.782 -4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.458 9.387 -4.055 1.00 0.00 H new ATOM 1209 N SER A 84 12.871 7.838 -3.635 1.00 0.00 N ATOM 1210 CA SER A 84 11.524 8.250 -3.991 1.00 0.00 C ATOM 1211 C SER A 84 10.567 7.063 -3.878 1.00 0.00 C ATOM 1212 O SER A 84 10.967 5.916 -4.075 1.00 0.00 O ATOM 1213 CB SER A 84 11.482 8.832 -5.406 1.00 0.00 C ATOM 1214 OG SER A 84 12.431 9.882 -5.580 1.00 0.00 O ATOM 0 H SER A 84 13.191 6.985 -4.093 1.00 0.00 H new ATOM 0 HA SER A 84 11.210 9.029 -3.297 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.680 8.041 -6.129 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.481 9.210 -5.613 1.00 0.00 H new ATOM 0 HG SER A 84 12.374 10.226 -6.496 1.00 0.00 H new ATOM 1220 N LEU A 85 9.319 7.377 -3.560 1.00 0.00 N ATOM 1221 CA LEU A 85 8.301 6.350 -3.418 1.00 0.00 C ATOM 1222 C LEU A 85 8.206 5.549 -4.717 1.00 0.00 C ATOM 1223 O LEU A 85 7.884 4.362 -4.697 1.00 0.00 O ATOM 1224 CB LEU A 85 6.973 6.970 -2.979 1.00 0.00 C ATOM 1225 CG LEU A 85 6.634 6.846 -1.492 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.270 5.404 -1.131 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.772 7.384 -0.623 1.00 0.00 C ATOM 0 H LEU A 85 8.990 8.329 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 85 8.575 5.648 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.984 8.028 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.171 6.507 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 85 5.757 7.460 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.033 5.344 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.404 5.090 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.113 4.750 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.505 7.284 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.681 6.817 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.942 8.435 -0.856 1.00 0.00 H new ATOM 1239 N THR A 86 8.493 6.230 -5.817 1.00 0.00 N ATOM 1240 CA THR A 86 8.443 5.596 -7.124 1.00 0.00 C ATOM 1241 C THR A 86 9.444 4.441 -7.194 1.00 0.00 C ATOM 1242 O THR A 86 9.097 3.339 -7.618 1.00 0.00 O ATOM 1243 CB THR A 86 8.685 6.674 -8.182 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.618 7.598 -7.987 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.474 6.156 -9.606 1.00 0.00 C ATOM 0 H THR A 86 8.761 7.214 -5.830 1.00 0.00 H new ATOM 0 HA THR A 86 7.466 5.151 -7.311 1.00 0.00 H new ATOM 0 HB THR A 86 9.700 7.058 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.783 7.107 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.659 6.961 -10.317 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.164 5.335 -9.800 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.449 5.802 -9.716 1.00 0.00 H new ATOM 1253 N ASP A 87 10.666 4.732 -6.773 1.00 0.00 N ATOM 1254 CA ASP A 87 11.719 3.731 -6.783 1.00 0.00 C ATOM 1255 C ASP A 87 11.393 2.644 -5.756 1.00 0.00 C ATOM 1256 O ASP A 87 12.005 1.577 -5.761 1.00 0.00 O ATOM 1257 CB ASP A 87 13.068 4.347 -6.407 1.00 0.00 C ATOM 1258 CG ASP A 87 14.009 4.608 -7.584 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.612 3.621 -8.059 1.00 0.00 O ATOM 1260 OD2 ASP A 87 14.105 5.789 -7.983 1.00 0.00 O ATOM 0 H ASP A 87 10.950 5.647 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 87 11.780 3.316 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.889 5.289 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.569 3.685 -5.701 1.00 0.00 H new ATOM 1265 N LEU A 88 10.430 2.953 -4.900 1.00 0.00 N ATOM 1266 CA LEU A 88 10.016 2.016 -3.869 1.00 0.00 C ATOM 1267 C LEU A 88 8.894 1.130 -4.413 1.00 0.00 C ATOM 1268 O LEU A 88 8.964 -0.095 -4.318 1.00 0.00 O ATOM 1269 CB LEU A 88 9.644 2.761 -2.586 1.00 0.00 C ATOM 1270 CG LEU A 88 9.311 1.887 -1.375 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.633 2.614 -0.068 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.857 1.414 -1.425 1.00 0.00 C ATOM 0 H LEU A 88 9.924 3.839 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 88 10.841 1.357 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.471 3.418 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.785 3.399 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 88 9.941 0.998 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.387 1.970 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.695 2.859 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.047 3.531 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.646 0.795 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.193 2.278 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.695 0.831 -2.332 1.00 0.00 H new ATOM 1284 N VAL A 89 7.885 1.783 -4.972 1.00 0.00 N ATOM 1285 CA VAL A 89 6.750 1.069 -5.531 1.00 0.00 C ATOM 1286 C VAL A 89 7.215 0.237 -6.727 1.00 0.00 C ATOM 1287 O VAL A 89 6.754 -0.886 -6.923 1.00 0.00 O ATOM 1288 CB VAL A 89 5.635 2.056 -5.886 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.750 1.503 -7.004 1.00 0.00 C ATOM 1290 CG2 VAL A 89 4.803 2.410 -4.652 1.00 0.00 C ATOM 0 H VAL A 89 7.830 2.799 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 89 6.334 0.379 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 89 6.101 2.972 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.966 2.223 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.355 1.325 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.297 0.566 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.018 3.113 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.352 1.505 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.446 2.865 -3.898 1.00 0.00 H new ATOM 1300 N GLU A 90 8.122 0.820 -7.496 1.00 0.00 N ATOM 1301 CA GLU A 90 8.655 0.147 -8.668 1.00 0.00 C ATOM 1302 C GLU A 90 9.597 -0.984 -8.248 1.00 0.00 C ATOM 1303 O GLU A 90 10.021 -1.784 -9.081 1.00 0.00 O ATOM 1304 CB GLU A 90 9.365 1.136 -9.594 1.00 0.00 C ATOM 1305 CG GLU A 90 8.354 1.959 -10.396 1.00 0.00 C ATOM 1306 CD GLU A 90 8.489 1.684 -11.895 1.00 0.00 C ATOM 1307 OE1 GLU A 90 8.100 0.568 -12.304 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.977 2.595 -12.598 1.00 0.00 O ATOM 0 H GLU A 90 8.502 1.752 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 90 7.823 -0.286 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.996 1.802 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.021 0.595 -10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.343 1.719 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.508 3.020 -10.202 1.00 0.00 H new ATOM 1315 N HIS A 91 9.895 -1.014 -6.958 1.00 0.00 N ATOM 1316 CA HIS A 91 10.779 -2.033 -6.418 1.00 0.00 C ATOM 1317 C HIS A 91 9.963 -3.268 -6.032 1.00 0.00 C ATOM 1318 O HIS A 91 10.276 -4.380 -6.453 1.00 0.00 O ATOM 1319 CB HIS A 91 11.601 -1.477 -5.253 1.00 0.00 C ATOM 1320 CG HIS A 91 12.444 -2.513 -4.547 1.00 0.00 C ATOM 1321 ND1 HIS A 91 12.309 -3.083 -3.316 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.575 -3.072 -5.115 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 13.303 -3.945 -3.141 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 14.090 -3.939 -4.256 1.00 0.00 N flip ATOM 0 H HIS A 91 9.540 -0.349 -6.271 1.00 0.00 H new ATOM 0 HA HIS A 91 11.496 -2.338 -7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.252 -0.686 -5.626 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.925 -1.019 -4.530 1.00 0.00 H new ATOM 0 HD2 HIS A 91 13.971 -2.841 -6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.463 -4.551 -2.261 1.00 0.00 H new ATOM 0 HE2 HIS A 91 14.927 -4.503 -4.402 1.00 0.00 H new ATOM 1332 N PHE A 92 8.931 -3.030 -5.234 1.00 0.00 N ATOM 1333 CA PHE A 92 8.068 -4.110 -4.786 1.00 0.00 C ATOM 1334 C PHE A 92 7.033 -4.464 -5.857 1.00 0.00 C ATOM 1335 O PHE A 92 6.297 -5.439 -5.715 1.00 0.00 O ATOM 1336 CB PHE A 92 7.340 -3.611 -3.536 1.00 0.00 C ATOM 1337 CG PHE A 92 8.259 -3.368 -2.337 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.705 -4.420 -1.598 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.630 -2.101 -2.010 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.558 -4.194 -0.485 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.483 -1.876 -0.897 1.00 0.00 C ATOM 1342 CZ PHE A 92 9.928 -2.927 -0.158 1.00 0.00 C ATOM 0 H PHE A 92 8.674 -2.106 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 92 8.662 -5.001 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.820 -2.684 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.579 -4.339 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.411 -5.426 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.276 -1.266 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.913 -5.029 0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.778 -0.870 -0.638 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.576 -2.755 0.689 1.00 0.00 H new ATOM 1352 N LYS A 93 7.010 -3.652 -6.904 1.00 0.00 N ATOM 1353 CA LYS A 93 6.078 -3.868 -7.997 1.00 0.00 C ATOM 1354 C LYS A 93 6.391 -5.205 -8.672 1.00 0.00 C ATOM 1355 O LYS A 93 5.570 -5.733 -9.421 1.00 0.00 O ATOM 1356 CB LYS A 93 6.094 -2.676 -8.957 1.00 0.00 C ATOM 1357 CG LYS A 93 4.834 -1.824 -8.795 1.00 0.00 C ATOM 1358 CD LYS A 93 4.832 -0.655 -9.781 1.00 0.00 C ATOM 1359 CE LYS A 93 4.505 -1.133 -11.198 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.243 -0.524 -11.672 1.00 0.00 N ATOM 0 H LYS A 93 7.622 -2.844 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 93 5.057 -3.932 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.977 -2.065 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.166 -3.033 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.950 -2.441 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.776 -1.444 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.100 0.089 -9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.807 -0.167 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.319 -0.870 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.419 -2.219 -11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.036 -0.859 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.466 -0.796 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.338 0.512 -11.679 1.00 0.00 H new ATOM 1374 N LYS A 94 7.578 -5.715 -8.381 1.00 0.00 N ATOM 1375 CA LYS A 94 8.009 -6.981 -8.950 1.00 0.00 C ATOM 1376 C LYS A 94 8.236 -7.991 -7.824 1.00 0.00 C ATOM 1377 O LYS A 94 7.541 -9.003 -7.743 1.00 0.00 O ATOM 1378 CB LYS A 94 9.231 -6.776 -9.848 1.00 0.00 C ATOM 1379 CG LYS A 94 9.964 -5.482 -9.491 1.00 0.00 C ATOM 1380 CD LYS A 94 11.347 -5.437 -10.142 1.00 0.00 C ATOM 1381 CE LYS A 94 11.660 -4.035 -10.669 1.00 0.00 C ATOM 1382 NZ LYS A 94 10.947 -3.789 -11.942 1.00 0.00 N ATOM 0 H LYS A 94 8.255 -5.275 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 94 7.233 -7.392 -9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.909 -7.623 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.918 -6.745 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.376 -4.625 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.065 -5.404 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.104 -5.734 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.391 -6.155 -10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.366 -3.289 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.734 -3.928 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.170 -2.833 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.247 -4.490 -12.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.922 -3.870 -11.787 1.00 0.00 H new ATOM 1396 N THR A 95 9.210 -7.681 -6.981 1.00 0.00 N ATOM 1397 CA THR A 95 9.537 -8.549 -5.863 1.00 0.00 C ATOM 1398 C THR A 95 8.285 -8.846 -5.035 1.00 0.00 C ATOM 1399 O THR A 95 8.118 -9.957 -4.532 1.00 0.00 O ATOM 1400 CB THR A 95 10.653 -7.881 -5.057 1.00 0.00 C ATOM 1401 OG1 THR A 95 10.084 -6.646 -4.632 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.838 -7.465 -5.931 1.00 0.00 C ATOM 0 H THR A 95 9.783 -6.840 -7.050 1.00 0.00 H new ATOM 0 HA THR A 95 9.899 -9.518 -6.207 1.00 0.00 H new ATOM 0 HB THR A 95 10.997 -8.563 -4.280 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.243 -5.961 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.601 -6.996 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.257 -8.345 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.501 -6.757 -6.688 1.00 0.00 H new ATOM 1410 N GLY A 96 7.436 -7.835 -4.920 1.00 0.00 N ATOM 1411 CA GLY A 96 6.205 -7.975 -4.162 1.00 0.00 C ATOM 1412 C GLY A 96 6.461 -7.807 -2.663 1.00 0.00 C ATOM 1413 O GLY A 96 7.565 -7.452 -2.255 1.00 0.00 O ATOM 0 H GLY A 96 7.577 -6.916 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.481 -7.231 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.766 -8.955 -4.352 1.00 0.00 H new ATOM 1417 N ILE A 97 5.421 -8.069 -1.885 1.00 0.00 N ATOM 1418 CA ILE A 97 5.520 -7.950 -0.440 1.00 0.00 C ATOM 1419 C ILE A 97 5.033 -9.248 0.208 1.00 0.00 C ATOM 1420 O ILE A 97 4.211 -9.962 -0.365 1.00 0.00 O ATOM 1421 CB ILE A 97 4.778 -6.704 0.048 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.450 -5.430 -0.468 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.646 -6.705 1.572 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.408 -4.390 -0.885 1.00 0.00 C ATOM 0 H ILE A 97 4.506 -8.363 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 97 6.559 -7.812 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 97 3.768 -6.725 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.093 -5.014 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.089 -5.670 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.115 -5.808 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.091 -7.588 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.638 -6.719 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.913 -3.495 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.782 -4.800 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.786 -4.134 -0.027 1.00 0.00 H new ATOM 1436 N GLU A 98 5.561 -9.514 1.394 1.00 0.00 N ATOM 1437 CA GLU A 98 5.190 -10.714 2.126 1.00 0.00 C ATOM 1438 C GLU A 98 4.371 -10.347 3.365 1.00 0.00 C ATOM 1439 O GLU A 98 4.820 -9.564 4.201 1.00 0.00 O ATOM 1440 CB GLU A 98 6.428 -11.528 2.507 1.00 0.00 C ATOM 1441 CG GLU A 98 6.044 -12.754 3.338 1.00 0.00 C ATOM 1442 CD GLU A 98 7.215 -13.218 4.205 1.00 0.00 C ATOM 1443 OE1 GLU A 98 7.721 -12.372 4.974 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.578 -14.407 4.080 1.00 0.00 O ATOM 0 H GLU A 98 6.242 -8.920 1.866 1.00 0.00 H new ATOM 0 HA GLU A 98 4.573 -11.336 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.951 -11.845 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.119 -10.903 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.190 -12.515 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.734 -13.563 2.677 1.00 0.00 H new ATOM 1451 N GLU A 99 3.185 -10.931 3.445 1.00 0.00 N ATOM 1452 CA GLU A 99 2.299 -10.676 4.568 1.00 0.00 C ATOM 1453 C GLU A 99 2.787 -11.425 5.810 1.00 0.00 C ATOM 1454 O GLU A 99 3.717 -12.227 5.730 1.00 0.00 O ATOM 1455 CB GLU A 99 0.858 -11.059 4.228 1.00 0.00 C ATOM 1456 CG GLU A 99 0.247 -10.069 3.235 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.245 -10.345 3.033 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -2.009 -10.050 3.977 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.587 -10.843 1.939 1.00 0.00 O ATOM 0 H GLU A 99 2.817 -11.580 2.750 1.00 0.00 H new ATOM 0 HA GLU A 99 2.315 -9.607 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.835 -12.064 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.260 -11.082 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.386 -9.051 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.766 -10.140 2.279 1.00 0.00 H new ATOM 1466 N ALA A 100 2.139 -11.138 6.929 1.00 0.00 N ATOM 1467 CA ALA A 100 2.495 -11.774 8.185 1.00 0.00 C ATOM 1468 C ALA A 100 1.888 -13.178 8.231 1.00 0.00 C ATOM 1469 O ALA A 100 2.313 -14.016 9.025 1.00 0.00 O ATOM 1470 CB ALA A 100 2.030 -10.899 9.351 1.00 0.00 C ATOM 0 H ALA A 100 1.368 -10.473 6.992 1.00 0.00 H new ATOM 0 HA ALA A 100 3.577 -11.880 8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.297 -11.377 10.294 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.512 -9.924 9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.948 -10.773 9.302 1.00 0.00 H new ATOM 1476 N SER A 101 0.904 -13.391 7.370 1.00 0.00 N ATOM 1477 CA SER A 101 0.234 -14.678 7.303 1.00 0.00 C ATOM 1478 C SER A 101 1.103 -15.680 6.540 1.00 0.00 C ATOM 1479 O SER A 101 0.862 -16.885 6.596 1.00 0.00 O ATOM 1480 CB SER A 101 -1.138 -14.551 6.638 1.00 0.00 C ATOM 1481 OG SER A 101 -2.193 -14.512 7.595 1.00 0.00 O ATOM 0 H SER A 101 0.555 -12.694 6.713 1.00 0.00 H new ATOM 0 HA SER A 101 0.082 -15.038 8.320 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.165 -13.646 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.293 -15.392 5.962 1.00 0.00 H new ATOM 0 HG SER A 101 -3.052 -14.429 7.131 1.00 0.00 H new ATOM 1487 N GLY A 102 2.095 -15.145 5.843 1.00 0.00 N ATOM 1488 CA GLY A 102 3.000 -15.978 5.069 1.00 0.00 C ATOM 1489 C GLY A 102 2.699 -15.871 3.573 1.00 0.00 C ATOM 1490 O GLY A 102 3.461 -16.370 2.746 1.00 0.00 O ATOM 0 H GLY A 102 2.292 -14.145 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.030 -15.676 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.908 -17.016 5.389 1.00 0.00 H new ATOM 1494 N ALA A 103 1.587 -15.218 3.270 1.00 0.00 N ATOM 1495 CA ALA A 103 1.176 -15.040 1.888 1.00 0.00 C ATOM 1496 C ALA A 103 1.895 -13.824 1.300 1.00 0.00 C ATOM 1497 O ALA A 103 2.190 -12.867 2.014 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.346 -14.905 1.821 1.00 0.00 C ATOM 0 H ALA A 103 0.958 -14.805 3.958 1.00 0.00 H new ATOM 0 HA ALA A 103 1.453 -15.909 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.654 -14.771 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.809 -15.806 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.661 -14.042 2.407 1.00 0.00 H new ATOM 1504 N PHE A 104 2.158 -13.902 0.003 1.00 0.00 N ATOM 1505 CA PHE A 104 2.837 -12.820 -0.690 1.00 0.00 C ATOM 1506 C PHE A 104 1.836 -11.927 -1.426 1.00 0.00 C ATOM 1507 O PHE A 104 0.697 -12.328 -1.661 1.00 0.00 O ATOM 1508 CB PHE A 104 3.776 -13.464 -1.711 1.00 0.00 C ATOM 1509 CG PHE A 104 5.213 -13.637 -1.213 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.494 -14.560 -0.255 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.208 -12.867 -1.729 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.826 -14.720 0.207 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.541 -13.028 -1.267 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.822 -13.951 -0.308 1.00 0.00 C ATOM 0 H PHE A 104 1.913 -14.698 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 104 3.377 -12.200 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.379 -14.440 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.786 -12.855 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.703 -15.171 0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.985 -12.134 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.049 -15.453 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.332 -12.418 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.836 -14.073 0.044 1.00 0.00 H new ATOM 1524 N VAL A 105 2.298 -10.734 -1.769 1.00 0.00 N ATOM 1525 CA VAL A 105 1.458 -9.781 -2.474 1.00 0.00 C ATOM 1526 C VAL A 105 2.275 -9.105 -3.577 1.00 0.00 C ATOM 1527 O VAL A 105 3.502 -9.059 -3.505 1.00 0.00 O ATOM 1528 CB VAL A 105 0.851 -8.785 -1.483 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.125 -7.655 -2.216 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.084 -9.491 -0.499 1.00 0.00 C ATOM 0 H VAL A 105 3.243 -10.405 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 105 0.623 -10.291 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 105 1.667 -8.343 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.297 -6.962 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.830 -7.125 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.676 -8.073 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.502 -8.761 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.892 -9.974 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.475 -10.242 0.059 1.00 0.00 H new ATOM 1540 N TYR A 106 1.562 -8.597 -4.571 1.00 0.00 N ATOM 1541 CA TYR A 106 2.205 -7.925 -5.687 1.00 0.00 C ATOM 1542 C TYR A 106 1.390 -6.713 -6.142 1.00 0.00 C ATOM 1543 O TYR A 106 0.164 -6.711 -6.040 1.00 0.00 O ATOM 1544 CB TYR A 106 2.254 -8.948 -6.823 1.00 0.00 C ATOM 1545 CG TYR A 106 2.858 -10.296 -6.422 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.223 -10.488 -6.493 1.00 0.00 C ATOM 1547 CD2 TYR A 106 2.038 -11.318 -5.990 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.791 -11.756 -6.115 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.606 -12.586 -5.613 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.955 -12.743 -5.694 1.00 0.00 C ATOM 1551 OH TYR A 106 4.492 -13.940 -5.337 1.00 0.00 O ATOM 0 H TYR A 106 0.544 -8.637 -4.627 1.00 0.00 H new ATOM 0 HA TYR A 106 3.195 -7.569 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.243 -9.111 -7.195 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.834 -8.533 -7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.864 -9.688 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.970 -11.167 -5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.857 -11.920 -6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.975 -13.394 -5.274 1.00 0.00 H new ATOM 0 HH TYR A 106 3.777 -14.549 -5.056 1.00 0.00 H new ATOM 1561 N LEU A 107 2.103 -5.712 -6.636 1.00 0.00 N ATOM 1562 CA LEU A 107 1.461 -4.497 -7.107 1.00 0.00 C ATOM 1563 C LEU A 107 1.366 -4.534 -8.634 1.00 0.00 C ATOM 1564 O LEU A 107 2.263 -4.055 -9.327 1.00 0.00 O ATOM 1565 CB LEU A 107 2.186 -3.263 -6.566 1.00 0.00 C ATOM 1566 CG LEU A 107 2.599 -3.319 -5.094 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.697 -4.361 -4.872 1.00 0.00 C ATOM 1568 CD2 LEU A 107 3.010 -1.936 -4.586 1.00 0.00 C ATOM 0 H LEU A 107 3.119 -5.717 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 107 0.442 -4.432 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.080 -3.099 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.542 -2.396 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 107 1.734 -3.632 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.972 -4.381 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.332 -5.344 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.571 -4.102 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.299 -2.005 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.853 -1.569 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.171 -1.247 -4.687 1.00 0.00 H new ATOM 1580 N ARG A 108 0.272 -5.108 -9.113 1.00 0.00 N ATOM 1581 CA ARG A 108 0.049 -5.214 -10.545 1.00 0.00 C ATOM 1582 C ARG A 108 -0.276 -3.840 -11.135 1.00 0.00 C ATOM 1583 O ARG A 108 0.392 -3.384 -12.061 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.098 -6.178 -10.853 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.713 -7.618 -10.506 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.703 -8.613 -11.114 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.679 -8.513 -12.590 1.00 0.00 N ATOM 1588 CZ ARG A 108 -2.473 -7.701 -13.302 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -3.359 -6.914 -12.676 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -2.381 -7.676 -14.638 1.00 0.00 N ATOM 0 H ARG A 108 -0.469 -5.504 -8.535 1.00 0.00 H new ATOM 0 HA ARG A 108 0.964 -5.599 -10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.983 -5.888 -10.287 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.359 -6.112 -11.909 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.291 -7.828 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.688 -7.740 -9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.448 -9.627 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.708 -8.411 -10.744 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.016 -9.099 -13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.429 -6.933 -11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.964 -6.296 -13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.707 -8.275 -15.114 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.985 -7.058 -15.179 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.303 -3.219 -10.574 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.726 -1.906 -11.033 1.00 0.00 C ATOM 1606 C GLN A 109 -2.127 -1.032 -9.843 1.00 0.00 C ATOM 1607 O GLN A 109 -2.635 -1.534 -8.842 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.871 -2.020 -12.040 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.212 -2.203 -11.327 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.986 -3.388 -11.910 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.629 -3.295 -12.942 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.888 -4.504 -11.193 1.00 0.00 N ATOM 0 H GLN A 109 -1.855 -3.600 -9.806 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.886 -1.432 -11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.904 -1.125 -12.661 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.691 -2.864 -12.706 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.043 -2.363 -10.262 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.806 -1.294 -11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.333 -4.513 -10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.368 -5.350 -11.499 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.876 0.296 -9.996 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.205 1.245 -8.946 1.00 0.00 C ATOM 1623 C PRO A 110 -3.713 1.501 -8.891 1.00 0.00 C ATOM 1624 O PRO A 110 -4.463 0.992 -9.722 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.403 2.493 -9.278 1.00 0.00 C ATOM 1626 CG PRO A 110 -1.019 2.364 -10.743 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.275 0.927 -11.167 1.00 0.00 C ATOM 0 HA PRO A 110 -1.951 0.877 -7.952 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.993 3.393 -9.107 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.517 2.567 -8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.604 3.052 -11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.030 2.623 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.942 0.881 -12.028 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.349 0.428 -11.454 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.111 2.289 -7.903 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.515 2.618 -7.729 1.00 0.00 C ATOM 1637 C TYR A 111 -5.823 4.015 -8.273 1.00 0.00 C ATOM 1638 O TYR A 111 -5.203 4.995 -7.864 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.767 2.606 -6.220 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.218 2.897 -5.828 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.250 2.242 -6.469 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.494 3.813 -4.835 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.615 2.515 -6.101 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.859 4.087 -4.466 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.852 3.424 -5.117 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.141 3.683 -4.770 1.00 0.00 O ATOM 0 H TYR A 111 -3.486 2.709 -7.215 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.144 1.907 -8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.483 1.632 -5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.119 3.344 -5.748 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.034 1.525 -7.247 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.686 4.325 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.432 2.010 -6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.089 4.802 -3.690 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.542 2.879 -4.378 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.780 4.060 -9.188 1.00 0.00 N ATOM 1657 CA TYR A 112 -7.178 5.320 -9.793 1.00 0.00 C ATOM 1658 C TYR A 112 -8.601 5.701 -9.382 1.00 0.00 C ATOM 1659 O TYR A 112 -9.571 5.210 -9.958 1.00 0.00 O ATOM 1660 CB TYR A 112 -7.141 5.092 -11.306 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.779 5.370 -11.944 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -4.624 4.948 -11.318 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -5.705 6.043 -13.147 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -3.342 5.210 -11.919 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -4.423 6.305 -13.748 1.00 0.00 C ATOM 1666 CZ TYR A 112 -3.305 5.875 -13.104 1.00 0.00 C ATOM 1667 OH TYR A 112 -2.094 6.123 -13.672 1.00 0.00 O ATOM 0 H TYR A 112 -7.291 3.244 -9.525 1.00 0.00 H new ATOM 0 HA TYR A 112 -6.515 6.124 -9.475 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.425 4.060 -11.515 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.889 5.730 -11.778 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.682 4.421 -10.377 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -6.609 6.373 -13.637 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.430 4.886 -11.439 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -4.351 6.831 -14.689 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.221 6.605 -14.516 1.00 0.00 H new ATOM 1677 N SER A 113 -8.682 6.573 -8.387 1.00 0.00 N ATOM 1678 CA SER A 113 -9.970 7.026 -7.891 1.00 0.00 C ATOM 1679 C SER A 113 -10.409 8.282 -8.646 1.00 0.00 C ATOM 1680 O SER A 113 -9.607 8.906 -9.339 1.00 0.00 O ATOM 1681 CB SER A 113 -9.916 7.302 -6.388 1.00 0.00 C ATOM 1682 OG SER A 113 -11.182 7.703 -5.872 1.00 0.00 O ATOM 0 H SER A 113 -7.876 6.978 -7.911 1.00 0.00 H new ATOM 0 HA SER A 113 -10.699 6.234 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.580 6.406 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.180 8.081 -6.189 1.00 0.00 H new ATOM 0 HG SER A 113 -11.105 7.868 -4.909 1.00 0.00 H new ATOM 1688 N GLY A 114 -11.682 8.615 -8.487 1.00 0.00 N ATOM 1689 CA GLY A 114 -12.237 9.786 -9.145 1.00 0.00 C ATOM 1690 C GLY A 114 -12.754 10.797 -8.119 1.00 0.00 C ATOM 1691 O GLY A 114 -12.665 10.566 -6.915 1.00 0.00 O ATOM 0 H GLY A 114 -12.345 8.094 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.475 10.253 -9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.050 9.485 -9.806 1.00 0.00 H new ATOM 1695 N PRO A 115 -13.298 11.925 -8.649 1.00 0.00 N ATOM 1696 CA PRO A 115 -13.829 12.973 -7.794 1.00 0.00 C ATOM 1697 C PRO A 115 -15.177 12.562 -7.197 1.00 0.00 C ATOM 1698 O PRO A 115 -15.391 12.690 -5.992 1.00 0.00 O ATOM 1699 CB PRO A 115 -13.924 14.199 -8.687 1.00 0.00 C ATOM 1700 CG PRO A 115 -13.884 13.680 -10.115 1.00 0.00 C ATOM 1701 CD PRO A 115 -13.421 12.233 -10.071 1.00 0.00 C ATOM 0 HA PRO A 115 -13.194 13.174 -6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.845 14.750 -8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.098 14.885 -8.498 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.869 13.752 -10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.205 14.280 -10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.139 11.573 -10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -12.469 12.106 -10.587 1.00 0.00 H new ATOM 1709 N SER A 116 -16.050 12.078 -8.067 1.00 0.00 N ATOM 1710 CA SER A 116 -17.371 11.648 -7.641 1.00 0.00 C ATOM 1711 C SER A 116 -17.633 10.216 -8.114 1.00 0.00 C ATOM 1712 O SER A 116 -17.246 9.844 -9.220 1.00 0.00 O ATOM 1713 CB SER A 116 -18.455 12.589 -8.171 1.00 0.00 C ATOM 1714 OG SER A 116 -19.654 12.508 -7.405 1.00 0.00 O ATOM 0 H SER A 116 -15.869 11.974 -9.065 1.00 0.00 H new ATOM 0 HA SER A 116 -17.405 11.676 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.084 13.614 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 116 -18.672 12.343 -9.211 1.00 0.00 H new ATOM 0 HG SER A 116 -20.320 13.125 -7.774 1.00 0.00 H new ATOM 1720 N SER A 117 -18.289 9.453 -7.252 1.00 0.00 N ATOM 1721 CA SER A 117 -18.608 8.071 -7.568 1.00 0.00 C ATOM 1722 C SER A 117 -19.413 7.446 -6.427 1.00 0.00 C ATOM 1723 O SER A 117 -19.093 7.643 -5.256 1.00 0.00 O ATOM 1724 CB SER A 117 -17.338 7.259 -7.828 1.00 0.00 C ATOM 1725 OG SER A 117 -17.525 6.289 -8.855 1.00 0.00 O ATOM 0 H SER A 117 -18.608 9.766 -6.335 1.00 0.00 H new ATOM 0 HA SER A 117 -19.208 8.058 -8.478 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.528 7.933 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.033 6.759 -6.909 1.00 0.00 H new ATOM 0 HG SER A 117 -16.691 5.793 -8.992 1.00 0.00 H new ATOM 1731 N GLY A 118 -20.443 6.705 -6.809 1.00 0.00 N ATOM 1732 CA GLY A 118 -21.296 6.049 -5.833 1.00 0.00 C ATOM 1733 C GLY A 118 -22.195 5.007 -6.502 1.00 0.00 C ATOM 1734 O GLY A 118 -22.088 3.815 -6.216 1.00 0.00 O ATOM 0 H GLY A 118 -20.706 6.545 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -20.681 5.569 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.911 6.792 -5.324 1.00 0.00 H new TER 1738 GLY A 118