USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1155 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 TYR OH : rot -112:sc= 1.12 USER MOD Set 2.1: A 4 HIS : no HD1:sc= -2.14! C(o=-1.8!,f=-3.3!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ 134:sc= 0.318 (180deg=-0.16) USER MOD Single : A 1 ARG N :NH3+ -141:sc= 0.0592 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc=-0.00102 (180deg=-0.161) USER MOD Single : A 12 ASN : amide:sc= 0.0885 K(o=0.088,f=-6.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= 0.64 (180deg=0.275) USER MOD Single : A 22 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0524 (180deg=-0.283) USER MOD Single : A 38 HIS : no HE2:sc= 0.158 K(o=0.16,f=-0.61) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.221 K(o=0.22,f=-0.35) USER MOD Single : A 57 TYR OH : rot 157:sc= 1.26 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.09 K(o=1.1,f=-4.5!) USER MOD Single : A 60 THR OG1 : rot -14:sc= 1.03 USER MOD Single : A 61 HIS : no HD1:sc= -0.638 X(o=-0.64,f=-0.96) USER MOD Single : A 64 ASN : amide:sc=-0.00993 K(o=-0.0099,f=-1.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 166:sc= 0 (180deg=-0.351) USER MOD Single : A 70 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -13:sc= 0.913 USER MOD Single : A 98 MET CE :methyl -172:sc= 0 (180deg=-0.0842) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0613 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.0553 K(o=-0.055,f=-0.96) USER MOD Single : A 110 MET CE :methyl -159:sc= 0 (180deg=-0.0242) USER MOD Single : A 113 LYS NZ :NH3+ -164:sc= -0.0413 (180deg=-0.313) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0804 USER MOD Single : A 118 MET CE :methyl 142:sc= -0.688 (180deg=-3.24!) USER MOD Single : A 122 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.043) USER MOD Single : A 124 MET CE :methyl 169:sc= 0 (180deg=-0.147) USER MOD Single : A 132 LYS NZ :NH3+ 165:sc= -0.022 (180deg=-0.263) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 169:sc= 0 (180deg=-0.138) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.470 -1.436 2.675 1.00999.99 N ATOM 2 CA ARG A 1 -2.432 -0.220 3.489 1.00999.99 C ATOM 3 C ARG A 1 -2.841 0.986 2.646 1.00999.99 C ATOM 4 O ARG A 1 -3.611 0.857 1.692 1.00999.99 O ATOM 5 CB ARG A 1 -1.026 -0.007 4.069 1.00999.99 C ATOM 6 CG ARG A 1 -1.016 0.581 5.473 1.00999.99 C ATOM 7 CD ARG A 1 0.400 0.894 5.931 1.00999.99 C ATOM 8 NE ARG A 1 0.450 1.290 7.337 1.00999.99 N ATOM 9 CZ ARG A 1 0.182 2.518 7.771 1.00999.99 C ATOM 10 NH1 ARG A 1 -0.162 3.469 6.911 1.00999.99 N1+ ATOM 11 NH2 ARG A 1 0.260 2.792 9.067 1.00999.99 N ATOM 0 H1 ARG A 1 -2.844 -2.223 3.243 1.00999.99 H new ATOM 0 H2 ARG A 1 -3.084 -1.282 1.850 1.00999.99 H new ATOM 0 H3 ARG A 1 -1.509 -1.668 2.353 1.00999.99 H new ATOM 0 HA ARG A 1 -3.135 -0.330 4.315 1.00999.99 H new ATOM 0 HB2 ARG A 1 -0.502 -0.963 4.083 1.00999.99 H new ATOM 0 HB3 ARG A 1 -0.467 0.653 3.406 1.00999.99 H new ATOM 0 HG2 ARG A 1 -1.616 1.491 5.493 1.00999.99 H new ATOM 0 HG3 ARG A 1 -1.478 -0.121 6.167 1.00999.99 H new ATOM 0 HD2 ARG A 1 1.031 0.018 5.779 1.00999.99 H new ATOM 0 HD3 ARG A 1 0.811 1.694 5.315 1.00999.99 H new ATOM 0 HE ARG A 1 0.706 0.583 8.026 1.00999.99 H new ATOM 0 HH11 ARG A 1 -0.221 3.259 5.915 1.00999.99 H new ATOM 0 HH12 ARG A 1 -0.367 4.410 7.247 1.00999.99 H new ATOM 0 HH21 ARG A 1 0.525 2.061 9.728 1.00999.99 H new ATOM 0 HH22 ARG A 1 0.055 3.733 9.403 1.00999.99 H new ATOM 25 N SER A 2 -2.319 2.158 2.997 1.00999.99 N ATOM 26 CA SER A 2 -2.619 3.384 2.271 1.00999.99 C ATOM 27 C SER A 2 -1.704 3.519 1.054 1.00999.99 C ATOM 28 O SER A 2 -0.766 4.319 1.053 1.00999.99 O ATOM 29 CB SER A 2 -2.452 4.591 3.194 1.00999.99 C ATOM 30 OG SER A 2 -2.974 4.320 4.485 1.00999.99 O ATOM 0 H SER A 2 -1.683 2.282 3.785 1.00999.99 H new ATOM 0 HA SER A 2 -3.652 3.343 1.925 1.00999.99 H new ATOM 0 HB2 SER A 2 -1.396 4.850 3.272 1.00999.99 H new ATOM 0 HB3 SER A 2 -2.962 5.454 2.766 1.00999.99 H new ATOM 0 HG SER A 2 -2.854 5.106 5.058 1.00999.99 H new ATOM 36 N TRP A 3 -1.978 2.727 0.026 1.00961.25 N ATOM 37 CA TRP A 3 -1.179 2.748 -1.194 1.00589.86 C ATOM 38 C TRP A 3 -1.959 3.393 -2.336 1.00493.74 C ATOM 39 O TRP A 3 -3.088 3.845 -2.149 1.00682.58 O ATOM 40 CB TRP A 3 -0.758 1.323 -1.573 1.00641.29 C ATOM 41 CG TRP A 3 0.600 1.245 -2.208 1.00474.01 C ATOM 42 CD1 TRP A 3 0.883 0.918 -3.504 1.00334.40 C ATOM 43 CD2 TRP A 3 1.859 1.495 -1.574 1.00754.74 C ATOM 44 NE1 TRP A 3 2.241 0.955 -3.715 1.00404.94 N ATOM 45 CE2 TRP A 3 2.861 1.306 -2.544 1.00651.42 C ATOM 46 CE3 TRP A 3 2.237 1.864 -0.278 1.00999.99 C ATOM 47 CZ2 TRP A 3 4.214 1.473 -2.260 1.00999.99 C ATOM 48 CZ3 TRP A 3 3.581 2.029 0.002 1.00999.99 C ATOM 49 CH2 TRP A 3 4.555 1.835 -0.985 1.00999.99 C ATOM 0 H TRP A 3 -2.749 2.060 0.012 1.00961.25 H new ATOM 0 HA TRP A 3 -0.284 3.343 -1.012 1.00589.86 H new ATOM 0 HB2 TRP A 3 -0.768 0.700 -0.678 1.00641.29 H new ATOM 0 HB3 TRP A 3 -1.495 0.906 -2.259 1.00641.29 H new ATOM 0 HD1 TRP A 3 0.147 0.667 -4.254 1.00334.40 H new ATOM 0 HE1 TRP A 3 2.710 0.754 -4.598 1.00404.94 H new ATOM 0 HE3 TRP A 3 1.493 2.017 0.489 1.00999.99 H new ATOM 0 HZ2 TRP A 3 4.967 1.322 -3.019 1.00999.99 H new ATOM 0 HZ3 TRP A 3 3.885 2.312 0.999 1.00999.99 H new ATOM 0 HH2 TRP A 3 5.596 1.974 -0.735 1.00999.99 H new ATOM 60 N HIS A 4 -1.346 3.441 -3.516 1.00485.67 N ATOM 61 CA HIS A 4 -1.975 4.031 -4.695 1.00599.86 C ATOM 62 C HIS A 4 -3.175 3.190 -5.135 1.00506.44 C ATOM 63 O HIS A 4 -3.097 1.962 -5.182 1.00750.28 O ATOM 64 CB HIS A 4 -0.952 4.129 -5.830 1.00970.13 C ATOM 65 CG HIS A 4 -1.326 5.088 -6.922 1.00999.99 C ATOM 66 ND1 HIS A 4 -0.812 5.031 -8.199 1.00999.99 N ATOM 67 CD2 HIS A 4 -2.162 6.157 -6.902 1.00999.99 C ATOM 68 CE1 HIS A 4 -1.337 6.045 -8.897 1.00999.99 C ATOM 69 NE2 HIS A 4 -2.163 6.757 -8.157 1.00999.99 N ATOM 0 H HIS A 4 -0.408 3.076 -3.682 1.00485.67 H new ATOM 0 HA HIS A 4 -2.329 5.031 -4.446 1.00599.86 H new ATOM 0 HB2 HIS A 4 0.008 4.430 -5.412 1.00970.13 H new ATOM 0 HB3 HIS A 4 -0.814 3.139 -6.264 1.00970.13 H new ATOM 0 HD2 HIS A 4 -2.735 6.489 -6.049 1.00999.99 H new ATOM 0 HE1 HIS A 4 -1.113 6.253 -9.933 1.00999.99 H new ATOM 0 HE2 HIS A 4 -2.694 7.579 -8.445 1.00999.99 H new ATOM 77 N TYR A 5 -4.281 3.856 -5.464 1.00433.07 N ATOM 78 CA TYR A 5 -5.491 3.157 -5.890 1.00537.26 C ATOM 79 C TYR A 5 -5.719 3.283 -7.396 1.00417.42 C ATOM 80 O TYR A 5 -6.768 2.887 -7.907 1.00455.89 O ATOM 81 CB TYR A 5 -6.714 3.689 -5.133 1.00863.64 C ATOM 82 CG TYR A 5 -6.656 3.460 -3.638 1.00999.99 C ATOM 83 CD1 TYR A 5 -6.318 4.490 -2.768 1.00999.99 C ATOM 84 CD2 TYR A 5 -6.938 2.213 -3.096 1.00999.99 C ATOM 85 CE1 TYR A 5 -6.262 4.282 -1.403 1.00999.99 C ATOM 86 CE2 TYR A 5 -6.885 1.997 -1.732 1.00999.99 C ATOM 87 CZ TYR A 5 -6.546 3.035 -0.890 1.00999.99 C ATOM 88 OH TYR A 5 -6.490 2.825 0.469 1.00999.99 O ATOM 0 H TYR A 5 -4.364 4.872 -5.444 1.00433.07 H new ATOM 0 HA TYR A 5 -5.353 2.101 -5.657 1.00537.26 H new ATOM 0 HB2 TYR A 5 -6.811 4.758 -5.324 1.00863.64 H new ATOM 0 HB3 TYR A 5 -7.610 3.212 -5.529 1.00863.64 H new ATOM 0 HD1 TYR A 5 -6.095 5.469 -3.165 1.00999.99 H new ATOM 0 HD2 TYR A 5 -7.204 1.397 -3.752 1.00999.99 H new ATOM 0 HE1 TYR A 5 -5.997 5.093 -0.741 1.00999.99 H new ATOM 0 HE2 TYR A 5 -7.108 1.021 -1.328 1.00999.99 H new ATOM 0 HH TYR A 5 -6.719 1.893 0.666 1.00999.99 H new ATOM 98 N VAL A 6 -4.742 3.836 -8.106 1.00334.13 N ATOM 99 CA VAL A 6 -4.858 4.004 -9.551 1.00279.07 C ATOM 100 C VAL A 6 -3.849 3.115 -10.273 1.00238.43 C ATOM 101 O VAL A 6 -2.643 3.212 -10.044 1.00244.26 O ATOM 102 CB VAL A 6 -4.638 5.479 -9.968 1.00314.05 C ATOM 103 CG1 VAL A 6 -4.754 5.650 -11.478 1.00362.37 C ATOM 104 CG2 VAL A 6 -5.624 6.393 -9.252 1.00375.52 C ATOM 0 H VAL A 6 -3.866 4.174 -7.708 1.00334.13 H new ATOM 0 HA VAL A 6 -5.869 3.712 -9.835 1.00279.07 H new ATOM 0 HB VAL A 6 -3.627 5.760 -9.674 1.00314.05 H new ATOM 0 HG11 VAL A 6 -4.595 6.696 -11.739 1.00362.37 H new ATOM 0 HG12 VAL A 6 -4.003 5.034 -11.973 1.00362.37 H new ATOM 0 HG13 VAL A 6 -5.748 5.342 -11.804 1.00362.37 H new ATOM 0 HG21 VAL A 6 -5.453 7.425 -9.559 1.00375.52 H new ATOM 0 HG22 VAL A 6 -6.642 6.102 -9.509 1.00375.52 H new ATOM 0 HG23 VAL A 6 -5.483 6.307 -8.175 1.00375.52 H new ATOM 114 N GLU A 7 -4.350 2.239 -11.138 1.00247.88 N ATOM 115 CA GLU A 7 -3.494 1.333 -11.894 1.00261.23 C ATOM 116 C GLU A 7 -2.887 2.039 -13.111 1.00258.13 C ATOM 117 O GLU A 7 -3.435 3.030 -13.596 1.00295.56 O ATOM 118 CB GLU A 7 -4.295 0.100 -12.335 1.00329.01 C ATOM 119 CG GLU A 7 -5.432 0.411 -13.300 1.00524.54 C ATOM 120 CD GLU A 7 -6.167 -0.832 -13.762 1.00700.51 C ATOM 121 OE1 GLU A 7 -5.735 -1.947 -13.401 1.00710.30 O ATOM 122 OE2 GLU A 7 -7.176 -0.690 -14.482 1.00999.99 O1- ATOM 0 H GLU A 7 -5.346 2.138 -11.333 1.00247.88 H new ATOM 0 HA GLU A 7 -2.676 1.013 -11.248 1.00261.23 H new ATOM 0 HB2 GLU A 7 -3.617 -0.611 -12.806 1.00329.01 H new ATOM 0 HB3 GLU A 7 -4.706 -0.389 -11.451 1.00329.01 H new ATOM 0 HG2 GLU A 7 -6.138 1.086 -12.817 1.00524.54 H new ATOM 0 HG3 GLU A 7 -5.032 0.935 -14.168 1.00524.54 H new ATOM 129 N PRO A 8 -1.738 1.540 -13.611 1.00283.22 N ATOM 130 CA PRO A 8 -1.072 2.119 -14.785 1.00342.38 C ATOM 131 C PRO A 8 -1.849 1.867 -16.076 1.00407.81 C ATOM 132 O PRO A 8 -2.560 0.868 -16.203 1.00426.47 O ATOM 133 CB PRO A 8 0.276 1.396 -14.819 1.00426.65 C ATOM 134 CG PRO A 8 0.025 0.100 -14.132 1.00436.63 C ATOM 135 CD PRO A 8 -0.981 0.397 -13.057 1.00337.38 C ATOM 0 HA PRO A 8 -0.987 3.203 -14.714 1.00342.38 H new ATOM 0 HB2 PRO A 8 0.618 1.242 -15.843 1.00426.65 H new ATOM 0 HB3 PRO A 8 1.048 1.972 -14.309 1.00426.65 H new ATOM 0 HG2 PRO A 8 -0.356 -0.645 -14.830 1.00436.63 H new ATOM 0 HG3 PRO A 8 0.945 -0.302 -13.707 1.00436.63 H new ATOM 0 HD2 PRO A 8 -1.628 -0.459 -12.863 1.00337.38 H new ATOM 0 HD3 PRO A 8 -0.499 0.652 -12.113 1.00337.38 H new ATOM 143 N LYS A 9 -1.704 2.773 -17.035 1.00517.29 N ATOM 144 CA LYS A 9 -2.398 2.648 -18.309 1.00659.90 C ATOM 145 C LYS A 9 -1.431 2.181 -19.396 1.00611.96 C ATOM 146 O LYS A 9 -0.405 2.819 -19.634 1.00826.27 O ATOM 147 CB LYS A 9 -3.031 3.990 -18.690 1.00999.99 C ATOM 148 CG LYS A 9 -4.007 3.909 -19.855 1.00999.99 C ATOM 149 CD LYS A 9 -5.314 3.250 -19.442 1.00999.99 C ATOM 150 CE LYS A 9 -6.279 3.142 -20.612 1.00999.99 C ATOM 151 NZ LYS A 9 -6.669 4.479 -21.138 1.00999.99 N1+ ATOM 0 H LYS A 9 -1.113 3.601 -16.954 1.00517.29 H new ATOM 0 HA LYS A 9 -3.188 1.903 -18.212 1.00659.90 H new ATOM 0 HB2 LYS A 9 -3.552 4.393 -17.821 1.00999.99 H new ATOM 0 HB3 LYS A 9 -2.239 4.695 -18.942 1.00999.99 H new ATOM 0 HG2 LYS A 9 -4.207 4.911 -20.234 1.00999.99 H new ATOM 0 HG3 LYS A 9 -3.555 3.344 -20.671 1.00999.99 H new ATOM 0 HD2 LYS A 9 -5.111 2.256 -19.044 1.00999.99 H new ATOM 0 HD3 LYS A 9 -5.776 3.827 -18.640 1.00999.99 H new ATOM 0 HE2 LYS A 9 -5.818 2.559 -21.409 1.00999.99 H new ATOM 0 HE3 LYS A 9 -7.172 2.602 -20.297 1.00999.99 H new ATOM 0 HZ1 LYS A 9 -7.461 4.373 -21.803 1.00999.99 H new ATOM 0 HZ2 LYS A 9 -6.959 5.091 -20.349 1.00999.99 H new ATOM 0 HZ3 LYS A 9 -5.859 4.908 -21.630 1.00999.99 H new ATOM 165 N PHE A 10 -1.774 1.062 -20.045 1.00593.04 N ATOM 166 CA PHE A 10 -0.951 0.475 -21.114 1.00718.66 C ATOM 167 C PHE A 10 0.453 0.126 -20.619 1.00444.77 C ATOM 168 O PHE A 10 1.437 0.334 -21.333 1.00430.55 O ATOM 169 CB PHE A 10 -0.854 1.417 -22.323 1.00999.99 C ATOM 170 CG PHE A 10 -2.173 1.714 -22.980 1.00999.99 C ATOM 171 CD1 PHE A 10 -2.736 2.975 -22.894 1.00999.99 C ATOM 172 CD2 PHE A 10 -2.846 0.730 -23.687 1.00999.99 C ATOM 173 CE1 PHE A 10 -3.947 3.252 -23.501 1.00999.99 C ATOM 174 CE2 PHE A 10 -4.058 1.000 -24.294 1.00999.99 C ATOM 175 CZ PHE A 10 -4.608 2.263 -24.202 1.00999.99 C ATOM 0 H PHE A 10 -2.626 0.538 -19.846 1.00593.04 H new ATOM 0 HA PHE A 10 -1.446 -0.446 -21.423 1.00718.66 H new ATOM 0 HB2 PHE A 10 -0.401 2.355 -22.003 1.00999.99 H new ATOM 0 HB3 PHE A 10 -0.185 0.975 -23.061 1.00999.99 H new ATOM 0 HD1 PHE A 10 -2.223 3.752 -22.346 1.00999.99 H new ATOM 0 HD2 PHE A 10 -2.419 -0.259 -23.764 1.00999.99 H new ATOM 0 HE1 PHE A 10 -4.375 4.241 -23.427 1.00999.99 H new ATOM 0 HE2 PHE A 10 -4.574 0.224 -24.840 1.00999.99 H new ATOM 0 HZ PHE A 10 -5.554 2.477 -24.678 1.00999.99 H new ATOM 185 N LEU A 11 0.539 -0.389 -19.392 1.00349.73 N ATOM 186 CA LEU A 11 1.823 -0.774 -18.802 1.00235.63 C ATOM 187 C LEU A 11 2.553 -1.793 -19.678 1.00206.14 C ATOM 188 O LEU A 11 2.045 -2.887 -19.933 1.00278.24 O ATOM 189 CB LEU A 11 1.612 -1.355 -17.400 1.00330.72 C ATOM 190 CG LEU A 11 2.894 -1.750 -16.659 1.00430.08 C ATOM 191 CD1 LEU A 11 3.775 -0.533 -16.419 1.00480.09 C ATOM 192 CD2 LEU A 11 2.560 -2.437 -15.342 1.00781.60 C ATOM 0 H LEU A 11 -0.266 -0.550 -18.786 1.00349.73 H new ATOM 0 HA LEU A 11 2.438 0.123 -18.732 1.00235.63 H new ATOM 0 HB2 LEU A 11 1.074 -0.623 -16.798 1.00330.72 H new ATOM 0 HB3 LEU A 11 0.972 -2.234 -17.481 1.00330.72 H new ATOM 0 HG LEU A 11 3.446 -2.452 -17.283 1.00430.08 H new ATOM 0 HD11 LEU A 11 4.679 -0.837 -15.892 1.00480.09 H new ATOM 0 HD12 LEU A 11 4.046 -0.085 -17.375 1.00480.09 H new ATOM 0 HD13 LEU A 11 3.232 0.196 -15.818 1.00480.09 H new ATOM 0 HD21 LEU A 11 3.483 -2.710 -14.830 1.00781.60 H new ATOM 0 HD22 LEU A 11 1.983 -1.758 -14.714 1.00781.60 H new ATOM 0 HD23 LEU A 11 1.974 -3.335 -15.538 1.00781.60 H new ATOM 204 N ASN A 12 3.746 -1.431 -20.132 1.00156.36 N ATOM 205 CA ASN A 12 4.547 -2.315 -20.969 1.00143.87 C ATOM 206 C ASN A 12 5.818 -2.728 -20.232 1.00134.56 C ATOM 207 O ASN A 12 6.597 -1.875 -19.800 1.00124.23 O ATOM 208 CB ASN A 12 4.893 -1.624 -22.294 1.00149.74 C ATOM 209 CG ASN A 12 5.497 -2.569 -23.322 1.00157.35 C ATOM 210 OD1 ASN A 12 5.934 -3.673 -22.999 1.00185.89 O ATOM 211 ND2 ASN A 12 5.524 -2.136 -24.576 1.00216.75 N ATOM 0 H ASN A 12 4.181 -0.530 -19.934 1.00156.36 H new ATOM 0 HA ASN A 12 3.967 -3.211 -21.189 1.00143.87 H new ATOM 0 HB2 ASN A 12 3.991 -1.175 -22.709 1.00149.74 H new ATOM 0 HB3 ASN A 12 5.594 -0.812 -22.101 1.00149.74 H new ATOM 0 HD21 ASN A 12 5.917 -2.725 -25.311 1.00216.75 H new ATOM 0 HD22 ASN A 12 5.152 -1.214 -24.805 1.00216.75 H new ATOM 218 N LYS A 13 6.019 -4.038 -20.085 1.00148.99 N ATOM 219 CA LYS A 13 7.198 -4.571 -19.400 1.00152.70 C ATOM 220 C LYS A 13 8.484 -4.174 -20.123 1.00126.31 C ATOM 221 O LYS A 13 9.491 -3.864 -19.489 1.00117.25 O ATOM 222 CB LYS A 13 7.107 -6.095 -19.297 1.00189.09 C ATOM 223 CG LYS A 13 6.047 -6.579 -18.316 1.00262.69 C ATOM 224 CD LYS A 13 5.884 -8.091 -18.366 1.00423.01 C ATOM 225 CE LYS A 13 7.122 -8.807 -17.844 1.00603.99 C ATOM 226 NZ LYS A 13 6.942 -10.284 -17.820 1.00902.90 N1+ ATOM 0 H LYS A 13 5.379 -4.752 -20.432 1.00148.99 H new ATOM 0 HA LYS A 13 7.224 -4.144 -18.397 1.00152.70 H new ATOM 0 HB2 LYS A 13 6.891 -6.505 -20.284 1.00189.09 H new ATOM 0 HB3 LYS A 13 8.077 -6.489 -18.994 1.00189.09 H new ATOM 0 HG2 LYS A 13 6.320 -6.275 -17.305 1.00262.69 H new ATOM 0 HG3 LYS A 13 5.094 -6.102 -18.545 1.00262.69 H new ATOM 0 HD2 LYS A 13 5.017 -8.384 -17.774 1.00423.01 H new ATOM 0 HD3 LYS A 13 5.689 -8.402 -19.392 1.00423.01 H new ATOM 0 HE2 LYS A 13 7.978 -8.556 -18.471 1.00603.99 H new ATOM 0 HE3 LYS A 13 7.349 -8.453 -16.838 1.00603.99 H new ATOM 0 HZ1 LYS A 13 7.807 -10.733 -17.458 1.00902.90 H new ATOM 0 HZ2 LYS A 13 6.142 -10.526 -17.202 1.00902.90 H new ATOM 0 HZ3 LYS A 13 6.751 -10.626 -18.783 1.00902.90 H new ATOM 240 N ALA A 14 8.441 -4.200 -21.453 1.00121.35 N ATOM 241 CA ALA A 14 9.594 -3.836 -22.278 1.00105.33 C ATOM 242 C ALA A 14 10.043 -2.401 -22.015 1.00 85.51 C ATOM 243 O ALA A 14 11.233 -2.099 -22.014 1.00 77.98 O ATOM 244 CB ALA A 14 9.275 -4.031 -23.752 1.00112.67 C ATOM 0 H ALA A 14 7.615 -4.471 -21.987 1.00121.35 H new ATOM 0 HA ALA A 14 10.418 -4.496 -22.005 1.00105.33 H new ATOM 0 HB1 ALA A 14 10.143 -3.756 -24.352 1.00112.67 H new ATOM 0 HB2 ALA A 14 9.024 -5.076 -23.935 1.00112.67 H new ATOM 0 HB3 ALA A 14 8.429 -3.401 -24.028 1.00112.67 H new ATOM 250 N PHE A 15 9.077 -1.514 -21.816 1.00 84.90 N ATOM 251 CA PHE A 15 9.362 -0.103 -21.562 1.00 75.82 C ATOM 252 C PHE A 15 9.965 0.104 -20.172 1.00 70.57 C ATOM 253 O PHE A 15 10.675 1.081 -19.935 1.00 63.80 O ATOM 254 CB PHE A 15 8.083 0.730 -21.701 1.00 90.27 C ATOM 255 CG PHE A 15 7.589 0.874 -23.117 1.00101.24 C ATOM 256 CD1 PHE A 15 8.271 0.294 -24.178 1.00246.12 C ATOM 257 CD2 PHE A 15 6.433 1.589 -23.382 1.00164.08 C ATOM 258 CE1 PHE A 15 7.806 0.425 -25.473 1.00265.05 C ATOM 259 CE2 PHE A 15 5.966 1.723 -24.676 1.00181.35 C ATOM 260 CZ PHE A 15 6.652 1.141 -25.723 1.00136.81 C ATOM 0 H PHE A 15 8.084 -1.746 -21.825 1.00 84.90 H new ATOM 0 HA PHE A 15 10.091 0.226 -22.302 1.00 75.82 H new ATOM 0 HB2 PHE A 15 7.298 0.272 -21.099 1.00 90.27 H new ATOM 0 HB3 PHE A 15 8.263 1.723 -21.288 1.00 90.27 H new ATOM 0 HD1 PHE A 15 9.175 -0.266 -23.989 1.00246.12 H new ATOM 0 HD2 PHE A 15 5.890 2.047 -22.568 1.00164.08 H new ATOM 0 HE1 PHE A 15 8.345 -0.033 -26.289 1.00265.05 H new ATOM 0 HE2 PHE A 15 5.063 2.284 -24.868 1.00181.35 H new ATOM 0 HZ PHE A 15 6.287 1.245 -26.734 1.00136.81 H new ATOM 270 N GLU A 16 9.667 -0.818 -19.256 1.00 80.12 N ATOM 271 CA GLU A 16 10.162 -0.729 -17.880 1.00 82.30 C ATOM 272 C GLU A 16 11.688 -0.805 -17.811 1.00 72.09 C ATOM 273 O GLU A 16 12.311 -0.083 -17.030 1.00 70.72 O ATOM 274 CB GLU A 16 9.547 -1.835 -17.021 1.00100.14 C ATOM 275 CG GLU A 16 8.064 -1.637 -16.739 1.00165.35 C ATOM 276 CD GLU A 16 7.431 -2.835 -16.056 1.00317.63 C ATOM 277 OE1 GLU A 16 8.045 -3.923 -16.071 1.00440.18 O ATOM 278 OE2 GLU A 16 6.321 -2.686 -15.506 1.00524.44 O1- ATOM 0 H GLU A 16 9.085 -1.635 -19.441 1.00 80.12 H new ATOM 0 HA GLU A 16 9.861 0.244 -17.492 1.00 82.30 H new ATOM 0 HB2 GLU A 16 9.688 -2.793 -17.522 1.00100.14 H new ATOM 0 HB3 GLU A 16 10.084 -1.888 -16.074 1.00100.14 H new ATOM 0 HG2 GLU A 16 7.933 -0.755 -16.112 1.00165.35 H new ATOM 0 HG3 GLU A 16 7.543 -1.442 -17.676 1.00165.35 H new ATOM 285 N VAL A 17 12.294 -1.673 -18.622 1.00 72.90 N ATOM 286 CA VAL A 17 13.749 -1.811 -18.617 1.00 72.63 C ATOM 287 C VAL A 17 14.431 -0.611 -19.273 1.00 63.96 C ATOM 288 O VAL A 17 15.576 -0.295 -18.945 1.00 69.07 O ATOM 289 CB VAL A 17 14.231 -3.123 -19.277 1.00 90.30 C ATOM 290 CG1 VAL A 17 13.838 -4.318 -18.419 1.00148.72 C ATOM 291 CG2 VAL A 17 13.682 -3.273 -20.687 1.00214.56 C ATOM 0 H VAL A 17 11.808 -2.282 -19.281 1.00 72.90 H new ATOM 0 HA VAL A 17 14.039 -1.849 -17.567 1.00 72.63 H new ATOM 0 HB VAL A 17 15.318 -3.083 -19.351 1.00 90.30 H new ATOM 0 HG11 VAL A 17 14.183 -5.236 -18.894 1.00148.72 H new ATOM 0 HG12 VAL A 17 14.296 -4.225 -17.434 1.00148.72 H new ATOM 0 HG13 VAL A 17 12.754 -4.349 -18.314 1.00148.72 H new ATOM 0 HG21 VAL A 17 14.042 -4.206 -21.120 1.00214.56 H new ATOM 0 HG22 VAL A 17 12.593 -3.284 -20.654 1.00214.56 H new ATOM 0 HG23 VAL A 17 14.018 -2.436 -21.299 1.00214.56 H new ATOM 301 N ALA A 18 13.734 0.055 -20.202 1.00 57.17 N ATOM 302 CA ALA A 18 14.283 1.234 -20.858 1.00 56.13 C ATOM 303 C ALA A 18 14.540 2.324 -19.822 1.00 56.68 C ATOM 304 O ALA A 18 15.546 3.034 -19.875 1.00 61.91 O ATOM 305 CB ALA A 18 13.332 1.732 -21.942 1.00 55.42 C ATOM 0 H ALA A 18 12.797 -0.205 -20.510 1.00 57.17 H new ATOM 0 HA ALA A 18 15.228 0.971 -21.334 1.00 56.13 H new ATOM 0 HB1 ALA A 18 13.757 2.613 -22.422 1.00 55.42 H new ATOM 0 HB2 ALA A 18 13.186 0.949 -22.686 1.00 55.42 H new ATOM 0 HB3 ALA A 18 12.373 1.990 -21.494 1.00 55.42 H new ATOM 311 N LEU A 19 13.604 2.441 -18.879 1.00 56.75 N ATOM 312 CA LEU A 19 13.703 3.409 -17.791 1.00 63.59 C ATOM 313 C LEU A 19 14.896 3.107 -16.891 1.00 62.95 C ATOM 314 O LEU A 19 15.627 4.012 -16.493 1.00 66.21 O ATOM 315 CB LEU A 19 12.425 3.377 -16.949 1.00 74.19 C ATOM 316 CG LEU A 19 11.186 3.976 -17.608 1.00167.83 C ATOM 317 CD1 LEU A 19 9.930 3.547 -16.866 1.00321.59 C ATOM 318 CD2 LEU A 19 11.289 5.492 -17.629 1.00287.80 C ATOM 0 H LEU A 19 12.760 1.869 -18.850 1.00 56.75 H new ATOM 0 HA LEU A 19 13.838 4.396 -18.233 1.00 63.59 H new ATOM 0 HB2 LEU A 19 12.210 2.341 -16.687 1.00 74.19 H new ATOM 0 HB3 LEU A 19 12.612 3.910 -16.017 1.00 74.19 H new ATOM 0 HG LEU A 19 11.125 3.611 -18.633 1.00167.83 H new ATOM 0 HD11 LEU A 19 9.055 3.983 -17.349 1.00321.59 H new ATOM 0 HD12 LEU A 19 9.850 2.460 -16.884 1.00321.59 H new ATOM 0 HD13 LEU A 19 9.983 3.890 -15.833 1.00321.59 H new ATOM 0 HD21 LEU A 19 10.400 5.911 -18.101 1.00287.80 H new ATOM 0 HD22 LEU A 19 11.367 5.866 -16.608 1.00287.80 H new ATOM 0 HD23 LEU A 19 12.173 5.789 -18.193 1.00287.80 H new ATOM 330 N LYS A 20 15.105 1.823 -16.611 1.00 63.25 N ATOM 331 CA LYS A 20 16.192 1.383 -15.740 1.00 68.73 C ATOM 332 C LYS A 20 17.557 1.764 -16.302 1.00 68.61 C ATOM 333 O LYS A 20 18.442 2.177 -15.556 1.00 73.83 O ATOM 334 CB LYS A 20 16.132 -0.134 -15.539 1.00 77.71 C ATOM 335 CG LYS A 20 14.950 -0.601 -14.701 1.00143.96 C ATOM 336 CD LYS A 20 14.950 -2.114 -14.540 1.00144.66 C ATOM 337 CE LYS A 20 13.776 -2.584 -13.696 1.00275.98 C ATOM 338 NZ LYS A 20 13.761 -4.066 -13.539 1.00491.97 N1+ ATOM 0 H LYS A 20 14.531 1.064 -16.978 1.00 63.25 H new ATOM 0 HA LYS A 20 16.063 1.888 -14.783 1.00 68.73 H new ATOM 0 HB2 LYS A 20 16.086 -0.618 -16.515 1.00 77.71 H new ATOM 0 HB3 LYS A 20 17.055 -0.464 -15.062 1.00 77.71 H new ATOM 0 HG2 LYS A 20 14.988 -0.129 -13.719 1.00143.96 H new ATOM 0 HG3 LYS A 20 14.020 -0.283 -15.172 1.00143.96 H new ATOM 0 HD2 LYS A 20 14.906 -2.585 -15.522 1.00144.66 H new ATOM 0 HD3 LYS A 20 15.884 -2.432 -14.076 1.00144.66 H new ATOM 0 HE2 LYS A 20 13.825 -2.116 -12.713 1.00275.98 H new ATOM 0 HE3 LYS A 20 12.844 -2.259 -14.158 1.00275.98 H new ATOM 0 HZ1 LYS A 20 13.298 -4.315 -12.642 1.00491.97 H new ATOM 0 HZ2 LYS A 20 13.237 -4.494 -14.329 1.00491.97 H new ATOM 0 HZ3 LYS A 20 14.737 -4.425 -13.536 1.00491.97 H new ATOM 352 N VAL A 21 17.718 1.631 -17.615 1.00 68.25 N ATOM 353 CA VAL A 21 18.984 1.951 -18.268 1.00 77.13 C ATOM 354 C VAL A 21 19.317 3.442 -18.148 1.00 72.55 C ATOM 355 O VAL A 21 20.446 3.807 -17.818 1.00 79.19 O ATOM 356 CB VAL A 21 18.956 1.544 -19.761 1.00 87.85 C ATOM 357 CG1 VAL A 21 20.196 2.040 -20.494 1.00179.68 C ATOM 358 CG2 VAL A 21 18.819 0.034 -19.900 1.00139.80 C ATOM 0 H VAL A 21 16.988 1.304 -18.248 1.00 68.25 H new ATOM 0 HA VAL A 21 19.760 1.381 -17.758 1.00 77.13 H new ATOM 0 HB VAL A 21 18.087 2.016 -20.220 1.00 87.85 H new ATOM 0 HG11 VAL A 21 20.146 1.738 -21.540 1.00179.68 H new ATOM 0 HG12 VAL A 21 20.245 3.127 -20.432 1.00179.68 H new ATOM 0 HG13 VAL A 21 21.086 1.610 -20.035 1.00179.68 H new ATOM 0 HG21 VAL A 21 18.801 -0.234 -20.956 1.00139.80 H new ATOM 0 HG22 VAL A 21 19.665 -0.454 -19.416 1.00139.80 H new ATOM 0 HG23 VAL A 21 17.893 -0.292 -19.427 1.00139.80 H new ATOM 368 N GLN A 22 18.333 4.299 -18.409 1.00 66.64 N ATOM 369 CA GLN A 22 18.544 5.743 -18.335 1.00 67.43 C ATOM 370 C GLN A 22 18.739 6.219 -16.896 1.00 67.09 C ATOM 371 O GLN A 22 19.589 7.068 -16.625 1.00 72.47 O ATOM 372 CB GLN A 22 17.362 6.482 -18.970 1.00 68.33 C ATOM 373 CG GLN A 22 17.246 6.262 -20.470 1.00156.47 C ATOM 374 CD GLN A 22 18.468 6.743 -21.230 1.00187.92 C ATOM 375 OE1 GLN A 22 18.925 7.867 -21.046 1.00223.68 O ATOM 376 NE2 GLN A 22 19.005 5.887 -22.091 1.00483.12 N ATOM 0 H GLN A 22 17.387 4.022 -18.672 1.00 66.64 H new ATOM 0 HA GLN A 22 19.457 5.968 -18.887 1.00 67.43 H new ATOM 0 HB2 GLN A 22 16.439 6.156 -18.490 1.00 68.33 H new ATOM 0 HB3 GLN A 22 17.463 7.549 -18.774 1.00 68.33 H new ATOM 0 HG2 GLN A 22 17.096 5.200 -20.667 1.00156.47 H new ATOM 0 HG3 GLN A 22 16.364 6.783 -20.842 1.00156.47 H new ATOM 0 HE21 GLN A 22 18.594 4.962 -22.214 1.00483.12 H new ATOM 0 HE22 GLN A 22 19.829 6.155 -22.630 1.00483.12 H new ATOM 385 N ILE A 23 17.947 5.669 -15.978 1.00 65.18 N ATOM 386 CA ILE A 23 18.026 6.046 -14.569 1.00 70.35 C ATOM 387 C ILE A 23 19.352 5.613 -13.934 1.00 65.97 C ATOM 388 O ILE A 23 19.992 6.392 -13.222 1.00 64.17 O ATOM 389 CB ILE A 23 16.854 5.440 -13.759 1.00 77.55 C ATOM 390 CG1 ILE A 23 15.521 6.027 -14.217 1.00 84.70 C ATOM 391 CG2 ILE A 23 17.039 5.693 -12.270 1.00120.91 C ATOM 392 CD1 ILE A 23 14.322 5.307 -13.636 1.00 96.48 C ATOM 0 H ILE A 23 17.243 4.961 -16.185 1.00 65.18 H new ATOM 0 HA ILE A 23 17.963 7.134 -14.537 1.00 70.35 H new ATOM 0 HB ILE A 23 16.848 4.365 -13.936 1.00 77.55 H new ATOM 0 HG12 ILE A 23 15.478 7.079 -13.934 1.00 84.70 H new ATOM 0 HG13 ILE A 23 15.468 5.988 -15.305 1.00 84.70 H new ATOM 0 HG21 ILE A 23 16.204 5.259 -11.721 1.00120.91 H new ATOM 0 HG22 ILE A 23 17.970 5.235 -11.936 1.00120.91 H new ATOM 0 HG23 ILE A 23 17.076 6.767 -12.085 1.00120.91 H new ATOM 0 HD11 ILE A 23 13.406 5.773 -14.000 1.00 96.48 H new ATOM 0 HD12 ILE A 23 14.343 4.261 -13.941 1.00 96.48 H new ATOM 0 HD13 ILE A 23 14.352 5.369 -12.548 1.00 96.48 H new ATOM 404 N ILE A 24 19.768 4.376 -14.211 1.00 66.14 N ATOM 405 CA ILE A 24 20.997 3.829 -13.637 1.00 64.17 C ATOM 406 C ILE A 24 22.231 4.605 -14.086 1.00 62.01 C ATOM 407 O ILE A 24 23.196 4.729 -13.335 1.00 60.43 O ATOM 408 CB ILE A 24 21.162 2.329 -13.986 1.00 70.10 C ATOM 409 CG1 ILE A 24 22.067 1.640 -12.961 1.00179.04 C ATOM 410 CG2 ILE A 24 21.715 2.133 -15.395 1.00158.26 C ATOM 411 CD1 ILE A 24 22.012 0.128 -13.022 1.00324.41 C ATOM 0 H ILE A 24 19.271 3.735 -14.829 1.00 66.14 H new ATOM 0 HA ILE A 24 20.908 3.931 -12.555 1.00 64.17 H new ATOM 0 HB ILE A 24 20.172 1.873 -13.953 1.00 70.10 H new ATOM 0 HG12 ILE A 24 23.095 1.964 -13.121 1.00179.04 H new ATOM 0 HG13 ILE A 24 21.782 1.965 -11.961 1.00179.04 H new ATOM 0 HG21 ILE A 24 21.816 1.067 -15.601 1.00158.26 H new ATOM 0 HG22 ILE A 24 21.033 2.580 -16.119 1.00158.26 H new ATOM 0 HG23 ILE A 24 22.691 2.612 -15.473 1.00158.26 H new ATOM 0 HD11 ILE A 24 22.678 -0.291 -12.268 1.00324.41 H new ATOM 0 HD12 ILE A 24 20.992 -0.207 -12.832 1.00324.41 H new ATOM 0 HD13 ILE A 24 22.326 -0.208 -14.010 1.00324.41 H new ATOM 423 N ALA A 25 22.191 5.121 -15.305 1.00 65.20 N ATOM 424 CA ALA A 25 23.315 5.883 -15.848 1.00 67.36 C ATOM 425 C ALA A 25 23.610 7.122 -15.004 1.00 61.38 C ATOM 426 O ALA A 25 24.765 7.398 -14.678 1.00 61.83 O ATOM 427 CB ALA A 25 23.033 6.281 -17.289 1.00 76.38 C ATOM 0 H ALA A 25 21.397 5.029 -15.939 1.00 65.20 H new ATOM 0 HA ALA A 25 24.197 5.243 -15.821 1.00 67.36 H new ATOM 0 HB1 ALA A 25 23.877 6.848 -17.682 1.00 76.38 H new ATOM 0 HB2 ALA A 25 22.886 5.385 -17.892 1.00 76.38 H new ATOM 0 HB3 ALA A 25 22.134 6.896 -17.327 1.00 76.38 H new ATOM 433 N GLY A 26 22.559 7.860 -14.647 1.00 59.56 N ATOM 434 CA GLY A 26 22.730 9.053 -13.830 1.00 59.27 C ATOM 435 C GLY A 26 23.198 8.734 -12.422 1.00 53.55 C ATOM 436 O GLY A 26 24.076 9.410 -11.879 1.00 56.28 O ATOM 0 H GLY A 26 21.595 7.654 -14.908 1.00 59.56 H new ATOM 0 HA2 GLY A 26 23.452 9.715 -14.308 1.00 59.27 H new ATOM 0 HA3 GLY A 26 21.785 9.594 -13.781 1.00 59.27 H new ATOM 440 N PHE A 27 22.618 7.688 -11.838 1.00 49.22 N ATOM 441 CA PHE A 27 22.959 7.264 -10.481 1.00 46.57 C ATOM 442 C PHE A 27 24.357 6.658 -10.413 1.00 45.25 C ATOM 443 O PHE A 27 25.012 6.720 -9.373 1.00 45.52 O ATOM 444 CB PHE A 27 21.921 6.274 -9.949 1.00 47.23 C ATOM 445 CG PHE A 27 20.664 6.937 -9.454 1.00 52.02 C ATOM 446 CD1 PHE A 27 19.664 7.309 -10.338 1.00 90.91 C ATOM 447 CD2 PHE A 27 20.487 7.191 -8.103 1.00148.84 C ATOM 448 CE1 PHE A 27 18.512 7.924 -9.883 1.00 91.85 C ATOM 449 CE2 PHE A 27 19.337 7.803 -7.644 1.00169.43 C ATOM 450 CZ PHE A 27 18.348 8.171 -8.536 1.00 73.18 C ATOM 0 H PHE A 27 21.904 7.114 -12.287 1.00 49.22 H new ATOM 0 HA PHE A 27 22.953 8.153 -9.850 1.00 46.57 H new ATOM 0 HB2 PHE A 27 21.664 5.568 -10.739 1.00 47.23 H new ATOM 0 HB3 PHE A 27 22.363 5.697 -9.137 1.00 47.23 H new ATOM 0 HD1 PHE A 27 19.786 7.117 -11.394 1.00 90.91 H new ATOM 0 HD2 PHE A 27 21.257 6.907 -7.401 1.00148.84 H new ATOM 0 HE1 PHE A 27 17.741 8.211 -10.582 1.00 91.85 H new ATOM 0 HE2 PHE A 27 19.211 7.994 -6.588 1.00169.43 H new ATOM 0 HZ PHE A 27 17.449 8.651 -8.179 1.00 73.18 H new ATOM 460 N ASP A 28 24.812 6.076 -11.519 1.00 48.20 N ATOM 461 CA ASP A 28 26.136 5.463 -11.562 1.00 52.32 C ATOM 462 C ASP A 28 27.214 6.533 -11.676 1.00 58.31 C ATOM 463 O ASP A 28 28.254 6.436 -11.026 1.00 58.86 O ATOM 464 CB ASP A 28 26.246 4.489 -12.736 1.00 60.63 C ATOM 465 CG ASP A 28 27.515 3.663 -12.686 1.00 90.22 C ATOM 466 OD1 ASP A 28 27.687 2.899 -11.713 1.00143.57 O ATOM 467 OD2 ASP A 28 28.335 3.778 -13.620 1.00145.09 O1- ATOM 0 H ASP A 28 24.288 6.016 -12.392 1.00 48.20 H new ATOM 0 HA ASP A 28 26.281 4.909 -10.635 1.00 52.32 H new ATOM 0 HB2 ASP A 28 25.383 3.824 -12.734 1.00 60.63 H new ATOM 0 HB3 ASP A 28 26.216 5.047 -13.672 1.00 60.63 H new ATOM 472 N ARG A 29 26.964 7.554 -12.496 1.00 69.25 N ATOM 473 CA ARG A 29 27.919 8.648 -12.660 1.00 83.67 C ATOM 474 C ARG A 29 28.098 9.376 -11.330 1.00 77.32 C ATOM 475 O ARG A 29 29.219 9.686 -10.920 1.00 85.27 O ATOM 476 CB ARG A 29 27.439 9.623 -13.741 1.00105.83 C ATOM 477 CG ARG A 29 28.413 10.759 -14.022 1.00176.78 C ATOM 478 CD ARG A 29 27.925 11.644 -15.157 1.00290.98 C ATOM 479 NE ARG A 29 26.687 12.341 -14.814 1.00325.38 N ATOM 480 CZ ARG A 29 25.985 13.066 -15.681 1.00514.29 C ATOM 481 NH1 ARG A 29 26.398 13.188 -16.935 1.00733.68 N1+ ATOM 482 NH2 ARG A 29 24.869 13.667 -15.290 1.00779.77 N ATOM 0 H ARG A 29 26.114 7.646 -13.053 1.00 69.25 H new ATOM 0 HA ARG A 29 28.878 8.237 -12.974 1.00 83.67 H new ATOM 0 HB2 ARG A 29 27.265 9.070 -14.664 1.00105.83 H new ATOM 0 HB3 ARG A 29 26.481 10.045 -13.437 1.00105.83 H new ATOM 0 HG2 ARG A 29 28.543 11.359 -13.121 1.00176.78 H new ATOM 0 HG3 ARG A 29 29.390 10.348 -14.275 1.00176.78 H new ATOM 0 HD2 ARG A 29 28.696 12.374 -15.404 1.00290.98 H new ATOM 0 HD3 ARG A 29 27.764 11.036 -16.047 1.00290.98 H new ATOM 0 HE ARG A 29 26.342 12.268 -13.857 1.00325.38 H new ATOM 0 HH11 ARG A 29 27.256 12.725 -17.237 1.00733.68 H new ATOM 0 HH12 ARG A 29 25.858 13.744 -17.598 1.00733.68 H new ATOM 0 HH21 ARG A 29 24.550 13.573 -14.326 1.00779.77 H new ATOM 0 HH22 ARG A 29 24.330 14.223 -15.954 1.00779.77 H new ATOM 496 N GLY A 30 26.972 9.636 -10.662 1.00 70.34 N ATOM 497 CA GLY A 30 26.993 10.299 -9.370 1.00 72.33 C ATOM 498 C GLY A 30 27.729 9.489 -8.322 1.00 62.03 C ATOM 499 O GLY A 30 28.447 10.042 -7.488 1.00 70.42 O ATOM 0 H GLY A 30 26.040 9.396 -10.999 1.00 70.34 H new ATOM 0 HA2 GLY A 30 27.468 11.275 -9.472 1.00 72.33 H new ATOM 0 HA3 GLY A 30 25.970 10.476 -9.038 1.00 72.33 H new ATOM 503 N LEU A 31 27.543 8.169 -8.369 1.00 51.43 N ATOM 504 CA LEU A 31 28.190 7.263 -7.425 1.00 49.34 C ATOM 505 C LEU A 31 29.706 7.309 -7.602 1.00 53.91 C ATOM 506 O LEU A 31 30.452 7.349 -6.625 1.00 57.97 O ATOM 507 CB LEU A 31 27.680 5.830 -7.617 1.00 49.86 C ATOM 508 CG LEU A 31 28.282 4.786 -6.669 1.00 84.61 C ATOM 509 CD1 LEU A 31 27.952 5.116 -5.219 1.00213.67 C ATOM 510 CD2 LEU A 31 27.782 3.394 -7.027 1.00175.88 C ATOM 0 H LEU A 31 26.947 7.704 -9.054 1.00 51.43 H new ATOM 0 HA LEU A 31 27.943 7.586 -6.414 1.00 49.34 H new ATOM 0 HB2 LEU A 31 26.597 5.828 -7.492 1.00 49.86 H new ATOM 0 HB3 LEU A 31 27.883 5.524 -8.643 1.00 49.86 H new ATOM 0 HG LEU A 31 29.366 4.806 -6.783 1.00 84.61 H new ATOM 0 HD11 LEU A 31 28.390 4.361 -4.565 1.00213.67 H new ATOM 0 HD12 LEU A 31 28.360 6.095 -4.967 1.00213.67 H new ATOM 0 HD13 LEU A 31 26.870 5.128 -5.086 1.00213.67 H new ATOM 0 HD21 LEU A 31 28.218 2.664 -6.345 1.00175.88 H new ATOM 0 HD22 LEU A 31 26.696 3.365 -6.943 1.00175.88 H new ATOM 0 HD23 LEU A 31 28.073 3.155 -8.050 1.00175.88 H new ATOM 522 N VAL A 32 30.148 7.313 -8.862 1.00 60.45 N ATOM 523 CA VAL A 32 31.572 7.362 -9.181 1.00 75.53 C ATOM 524 C VAL A 32 32.200 8.650 -8.644 1.00 82.56 C ATOM 525 O VAL A 32 33.272 8.616 -8.038 1.00 89.50 O ATOM 526 CB VAL A 32 31.814 7.261 -10.707 1.00 97.76 C ATOM 527 CG1 VAL A 32 33.274 7.526 -11.055 1.00275.82 C ATOM 528 CG2 VAL A 32 31.380 5.897 -11.224 1.00173.47 C ATOM 0 H VAL A 32 29.536 7.283 -9.678 1.00 60.45 H new ATOM 0 HA VAL A 32 32.044 6.505 -8.701 1.00 75.53 H new ATOM 0 HB VAL A 32 31.211 8.028 -11.194 1.00 97.76 H new ATOM 0 HG11 VAL A 32 33.411 7.448 -12.134 1.00275.82 H new ATOM 0 HG12 VAL A 32 33.550 8.528 -10.726 1.00275.82 H new ATOM 0 HG13 VAL A 32 33.906 6.792 -10.555 1.00275.82 H new ATOM 0 HG21 VAL A 32 31.557 5.842 -12.298 1.00173.47 H new ATOM 0 HG22 VAL A 32 31.954 5.118 -10.722 1.00173.47 H new ATOM 0 HG23 VAL A 32 30.318 5.753 -11.023 1.00173.47 H new ATOM 538 N LYS A 33 31.520 9.777 -8.860 1.00 88.78 N ATOM 539 CA LYS A 33 32.014 11.069 -8.383 1.00105.88 C ATOM 540 C LYS A 33 32.103 11.077 -6.859 1.00 97.11 C ATOM 541 O LYS A 33 33.055 11.607 -6.285 1.00110.76 O ATOM 542 CB LYS A 33 31.099 12.201 -8.860 1.00123.44 C ATOM 543 CG LYS A 33 31.145 12.437 -10.363 1.00171.90 C ATOM 544 CD LYS A 33 32.477 13.030 -10.800 1.00268.72 C ATOM 545 CE LYS A 33 32.498 13.308 -12.293 1.00399.61 C ATOM 546 NZ LYS A 33 31.463 14.302 -12.690 1.00545.00 N1+ ATOM 0 H LYS A 33 30.631 9.822 -9.359 1.00 88.78 H new ATOM 0 HA LYS A 33 33.011 11.227 -8.794 1.00105.88 H new ATOM 0 HB2 LYS A 33 30.074 11.974 -8.569 1.00123.44 H new ATOM 0 HB3 LYS A 33 31.379 13.122 -8.348 1.00123.44 H new ATOM 0 HG2 LYS A 33 30.978 11.495 -10.884 1.00171.90 H new ATOM 0 HG3 LYS A 33 30.336 13.108 -10.651 1.00171.90 H new ATOM 0 HD2 LYS A 33 32.662 13.955 -10.254 1.00268.72 H new ATOM 0 HD3 LYS A 33 33.284 12.343 -10.545 1.00268.72 H new ATOM 0 HE2 LYS A 33 33.483 13.676 -12.579 1.00399.61 H new ATOM 0 HE3 LYS A 33 32.335 12.378 -12.837 1.00399.61 H new ATOM 0 HZ1 LYS A 33 31.668 14.653 -13.647 1.00545.00 H new ATOM 0 HZ2 LYS A 33 30.526 13.850 -12.680 1.00545.00 H new ATOM 0 HZ3 LYS A 33 31.471 15.098 -12.020 1.00545.00 H new ATOM 560 N TRP A 34 31.097 10.489 -6.212 1.00 83.08 N ATOM 561 CA TRP A 34 31.064 10.391 -4.757 1.00 84.80 C ATOM 562 C TRP A 34 32.238 9.544 -4.262 1.00 77.06 C ATOM 563 O TRP A 34 32.911 9.897 -3.290 1.00 88.78 O ATOM 564 CB TRP A 34 29.727 9.793 -4.294 1.00 87.86 C ATOM 565 CG TRP A 34 29.566 9.747 -2.802 1.00139.00 C ATOM 566 CD1 TRP A 34 29.058 10.731 -2.001 1.00136.46 C ATOM 567 CD2 TRP A 34 29.900 8.657 -1.936 1.00409.53 C ATOM 568 NE1 TRP A 34 29.072 10.323 -0.689 1.00289.99 N ATOM 569 CE2 TRP A 34 29.582 9.053 -0.625 1.00536.36 C ATOM 570 CE3 TRP A 34 30.441 7.384 -2.143 1.00753.70 C ATOM 571 CZ2 TRP A 34 29.787 8.223 0.473 1.00999.99 C ATOM 572 CZ3 TRP A 34 30.643 6.562 -1.050 1.00999.99 C ATOM 573 CH2 TRP A 34 30.317 6.985 0.242 1.00999.99 C ATOM 0 H TRP A 34 30.291 10.072 -6.678 1.00 83.08 H new ATOM 0 HA TRP A 34 31.156 11.390 -4.332 1.00 84.80 H new ATOM 0 HB2 TRP A 34 28.912 10.378 -4.720 1.00 87.86 H new ATOM 0 HB3 TRP A 34 29.635 8.782 -4.691 1.00 87.86 H new ATOM 0 HD1 TRP A 34 28.698 11.688 -2.348 1.00136.46 H new ATOM 0 HE1 TRP A 34 28.754 10.876 0.107 1.00289.99 H new ATOM 0 HE3 TRP A 34 30.696 7.050 -3.138 1.00753.70 H new ATOM 0 HZ2 TRP A 34 29.536 8.546 1.473 1.00999.99 H new ATOM 0 HZ3 TRP A 34 31.060 5.576 -1.197 1.00999.99 H new ATOM 0 HH2 TRP A 34 30.488 6.319 1.075 1.00999.99 H new ATOM 584 N LEU A 35 32.474 8.424 -4.949 1.00 67.65 N ATOM 585 CA LEU A 35 33.565 7.508 -4.612 1.00 72.29 C ATOM 586 C LEU A 35 34.924 8.190 -4.757 1.00 90.96 C ATOM 587 O LEU A 35 35.837 7.937 -3.979 1.00102.65 O ATOM 588 CB LEU A 35 33.514 6.258 -5.494 1.00 75.67 C ATOM 589 CG LEU A 35 32.344 5.310 -5.215 1.00107.58 C ATOM 590 CD1 LEU A 35 32.259 4.237 -6.290 1.00205.93 C ATOM 591 CD2 LEU A 35 32.487 4.674 -3.839 1.00169.22 C ATOM 0 H LEU A 35 31.917 8.128 -5.751 1.00 67.65 H new ATOM 0 HA LEU A 35 33.437 7.213 -3.571 1.00 72.29 H new ATOM 0 HB2 LEU A 35 33.467 6.571 -6.537 1.00 75.67 H new ATOM 0 HB3 LEU A 35 34.446 5.706 -5.369 1.00 75.67 H new ATOM 0 HG LEU A 35 31.421 5.890 -5.232 1.00107.58 H new ATOM 0 HD11 LEU A 35 31.422 3.573 -6.075 1.00205.93 H new ATOM 0 HD12 LEU A 35 32.109 4.707 -7.262 1.00205.93 H new ATOM 0 HD13 LEU A 35 33.185 3.662 -6.304 1.00205.93 H new ATOM 0 HD21 LEU A 35 31.646 4.004 -3.659 1.00169.22 H new ATOM 0 HD22 LEU A 35 33.418 4.109 -3.794 1.00169.22 H new ATOM 0 HD23 LEU A 35 32.499 5.454 -3.077 1.00169.22 H new ATOM 603 N ARG A 36 35.067 9.030 -5.772 1.00104.16 N ATOM 604 CA ARG A 36 36.318 9.746 -5.998 1.00135.85 C ATOM 605 C ARG A 36 36.649 10.683 -4.833 1.00142.78 C ATOM 606 O ARG A 36 37.812 10.836 -4.461 1.00164.88 O ATOM 607 CB ARG A 36 36.252 10.550 -7.300 1.00166.93 C ATOM 608 CG ARG A 36 36.248 9.689 -8.554 1.00178.27 C ATOM 609 CD ARG A 36 36.083 10.533 -9.808 1.00195.26 C ATOM 610 NE ARG A 36 37.203 11.454 -9.999 1.00253.66 N ATOM 611 CZ ARG A 36 37.230 12.400 -10.933 1.00294.34 C ATOM 612 NH1 ARG A 36 36.204 12.543 -11.763 1.00307.82 N1+ ATOM 613 NH2 ARG A 36 38.281 13.202 -11.036 1.00557.46 N ATOM 0 H ARG A 36 34.335 9.233 -6.452 1.00104.16 H new ATOM 0 HA ARG A 36 37.109 9.000 -6.074 1.00135.85 H new ATOM 0 HB2 ARG A 36 35.353 11.166 -7.291 1.00166.93 H new ATOM 0 HB3 ARG A 36 37.103 11.230 -7.340 1.00166.93 H new ATOM 0 HG2 ARG A 36 37.179 9.126 -8.613 1.00178.27 H new ATOM 0 HG3 ARG A 36 35.439 8.961 -8.495 1.00178.27 H new ATOM 0 HD2 ARG A 36 35.999 9.880 -10.676 1.00195.26 H new ATOM 0 HD3 ARG A 36 35.154 11.100 -9.744 1.00195.26 H new ATOM 0 HE ARG A 36 38.009 11.366 -9.381 1.00253.66 H new ATOM 0 HH11 ARG A 36 35.395 11.927 -11.684 1.00307.82 H new ATOM 0 HH12 ARG A 36 36.225 13.269 -12.479 1.00307.82 H new ATOM 0 HH21 ARG A 36 39.070 13.094 -10.398 1.00557.46 H new ATOM 0 HH22 ARG A 36 38.301 13.927 -11.753 1.00557.46 H new ATOM 627 N VAL A 37 35.622 11.315 -4.269 1.00136.12 N ATOM 628 CA VAL A 37 35.815 12.261 -3.170 1.00154.88 C ATOM 629 C VAL A 37 35.824 11.597 -1.783 1.00143.45 C ATOM 630 O VAL A 37 36.742 11.823 -0.995 1.00169.85 O ATOM 631 CB VAL A 37 34.723 13.358 -3.194 1.00178.07 C ATOM 632 CG1 VAL A 37 34.897 14.332 -2.036 1.00242.50 C ATOM 633 CG2 VAL A 37 34.739 14.099 -4.524 1.00284.57 C ATOM 0 H VAL A 37 34.650 11.190 -4.553 1.00136.12 H new ATOM 0 HA VAL A 37 36.800 12.699 -3.330 1.00154.88 H new ATOM 0 HB VAL A 37 33.755 12.871 -3.080 1.00178.07 H new ATOM 0 HG11 VAL A 37 34.116 15.091 -2.079 1.00242.50 H new ATOM 0 HG12 VAL A 37 34.826 13.791 -1.092 1.00242.50 H new ATOM 0 HG13 VAL A 37 35.873 14.811 -2.107 1.00242.50 H new ATOM 0 HG21 VAL A 37 33.965 14.866 -4.522 1.00284.57 H new ATOM 0 HG22 VAL A 37 35.713 14.567 -4.668 1.00284.57 H new ATOM 0 HG23 VAL A 37 34.551 13.395 -5.335 1.00284.57 H new ATOM 643 N HIS A 38 34.818 10.774 -1.481 1.00121.32 N ATOM 644 CA HIS A 38 34.732 10.148 -0.156 1.00129.78 C ATOM 645 C HIS A 38 35.190 8.689 -0.153 1.00120.66 C ATOM 646 O HIS A 38 35.662 8.186 0.866 1.00116.64 O ATOM 647 CB HIS A 38 33.296 10.223 0.376 1.00157.70 C ATOM 648 CG HIS A 38 32.759 11.620 0.480 1.00198.72 C ATOM 649 ND1 HIS A 38 31.748 12.112 -0.314 1.00348.77 N ATOM 650 CD2 HIS A 38 33.116 12.637 1.305 1.00293.18 C ATOM 651 CE1 HIS A 38 31.527 13.384 0.041 1.00350.44 C ATOM 652 NE2 HIS A 38 32.331 13.751 1.021 1.00300.00 N ATOM 0 H HIS A 38 34.063 10.527 -2.121 1.00121.32 H new ATOM 0 HA HIS A 38 35.408 10.707 0.491 1.00129.78 H new ATOM 0 HB2 HIS A 38 32.646 9.642 -0.278 1.00157.70 H new ATOM 0 HB3 HIS A 38 33.258 9.756 1.360 1.00157.70 H new ATOM 0 HD1 HIS A 38 31.254 11.598 -1.044 1.00348.77 H new ATOM 0 HD2 HIS A 38 33.886 12.590 2.061 1.00293.18 H new ATOM 0 HE1 HIS A 38 30.788 14.026 -0.415 1.00350.44 H new ATOM 660 N GLY A 39 35.057 8.020 -1.289 1.00146.01 N ATOM 661 CA GLY A 39 35.447 6.618 -1.387 1.00174.62 C ATOM 662 C GLY A 39 36.951 6.408 -1.374 1.00178.59 C ATOM 663 O GLY A 39 37.419 5.280 -1.241 1.00199.70 O ATOM 0 H GLY A 39 34.685 8.420 -2.151 1.00146.01 H new ATOM 0 HA2 GLY A 39 35.003 6.066 -0.558 1.00174.62 H new ATOM 0 HA3 GLY A 39 35.037 6.198 -2.305 1.00174.62 H new ATOM 667 N ARG A 40 37.702 7.496 -1.520 1.00182.39 N ATOM 668 CA ARG A 40 39.162 7.441 -1.536 1.00216.75 C ATOM 669 C ARG A 40 39.725 6.885 -0.225 1.00196.87 C ATOM 670 O ARG A 40 40.686 6.116 -0.233 1.00235.83 O ATOM 671 CB ARG A 40 39.731 8.840 -1.798 1.00256.63 C ATOM 672 CG ARG A 40 41.247 8.874 -1.930 1.00454.12 C ATOM 673 CD ARG A 40 41.760 10.299 -2.069 1.00632.70 C ATOM 674 NE ARG A 40 41.267 10.944 -3.285 1.00929.04 N ATOM 675 CZ ARG A 40 41.866 10.853 -4.470 1.00999.99 C ATOM 676 NH1 ARG A 40 42.992 10.161 -4.598 1.00999.99 N1+ ATOM 677 NH2 ARG A 40 41.335 11.456 -5.527 1.00999.99 N ATOM 0 H ARG A 40 37.320 8.435 -1.630 1.00182.39 H new ATOM 0 HA ARG A 40 39.462 6.765 -2.337 1.00216.75 H new ATOM 0 HB2 ARG A 40 39.288 9.237 -2.711 1.00256.63 H new ATOM 0 HB3 ARG A 40 39.432 9.501 -0.985 1.00256.63 H new ATOM 0 HG2 ARG A 40 41.700 8.406 -1.056 1.00454.12 H new ATOM 0 HG3 ARG A 40 41.551 8.290 -2.798 1.00454.12 H new ATOM 0 HD2 ARG A 40 41.453 10.881 -1.200 1.00632.70 H new ATOM 0 HD3 ARG A 40 42.850 10.292 -2.079 1.00632.70 H new ATOM 0 HE ARG A 40 40.412 11.497 -3.221 1.00929.04 H new ATOM 0 HH11 ARG A 40 43.401 9.697 -3.787 1.00999.99 H new ATOM 0 HH12 ARG A 40 43.448 10.093 -5.508 1.00999.99 H new ATOM 0 HH21 ARG A 40 40.470 11.988 -5.430 1.00999.99 H new ATOM 0 HH22 ARG A 40 41.792 11.388 -6.436 1.00999.99 H new ATOM 691 N THR A 41 39.132 7.275 0.898 1.00164.55 N ATOM 692 CA THR A 41 39.602 6.811 2.200 1.00180.03 C ATOM 693 C THR A 41 38.782 5.634 2.725 1.00143.11 C ATOM 694 O THR A 41 39.127 5.033 3.744 1.00157.45 O ATOM 695 CB THR A 41 39.586 7.951 3.236 1.00225.23 C ATOM 696 OG1 THR A 41 38.260 8.477 3.369 1.00193.89 O ATOM 697 CG2 THR A 41 40.538 9.067 2.828 1.00302.80 C ATOM 0 H THR A 41 38.331 7.906 0.935 1.00164.55 H new ATOM 0 HA THR A 41 40.627 6.472 2.053 1.00180.03 H new ATOM 0 HB THR A 41 39.913 7.544 4.193 1.00225.23 H new ATOM 0 HG1 THR A 41 38.260 9.200 4.031 1.00193.89 H new ATOM 0 HG21 THR A 41 40.510 9.861 3.575 1.00302.80 H new ATOM 0 HG22 THR A 41 41.552 8.673 2.756 1.00302.80 H new ATOM 0 HG23 THR A 41 40.235 9.468 1.861 1.00302.80 H new ATOM 705 N LEU A 42 37.695 5.321 2.036 1.00124.95 N ATOM 706 CA LEU A 42 36.829 4.210 2.430 1.00116.90 C ATOM 707 C LEU A 42 37.470 2.859 2.133 1.00113.15 C ATOM 708 O LEU A 42 38.266 2.724 1.203 1.00123.92 O ATOM 709 CB LEU A 42 35.463 4.298 1.747 1.00142.95 C ATOM 710 CG LEU A 42 34.630 5.530 2.103 1.00251.09 C ATOM 711 CD1 LEU A 42 33.323 5.527 1.327 1.00184.69 C ATOM 712 CD2 LEU A 42 34.362 5.580 3.599 1.00581.97 C ATOM 0 H LEU A 42 37.388 5.818 1.200 1.00124.95 H new ATOM 0 HA LEU A 42 36.688 4.292 3.508 1.00116.90 H new ATOM 0 HB2 LEU A 42 35.614 4.282 0.668 1.00142.95 H new ATOM 0 HB3 LEU A 42 34.890 3.407 2.002 1.00142.95 H new ATOM 0 HG LEU A 42 35.195 6.420 1.827 1.00251.09 H new ATOM 0 HD11 LEU A 42 32.741 6.410 1.591 1.00184.69 H new ATOM 0 HD12 LEU A 42 33.535 5.538 0.258 1.00184.69 H new ATOM 0 HD13 LEU A 42 32.755 4.630 1.575 1.00184.69 H new ATOM 0 HD21 LEU A 42 33.768 6.464 3.833 1.00581.97 H new ATOM 0 HD22 LEU A 42 33.817 4.686 3.901 1.00581.97 H new ATOM 0 HD23 LEU A 42 35.309 5.627 4.137 1.00581.97 H new ATOM 724 N SER A 43 37.116 1.864 2.936 1.00110.08 N ATOM 725 CA SER A 43 37.630 0.512 2.767 1.00115.78 C ATOM 726 C SER A 43 37.001 -0.155 1.542 1.00104.58 C ATOM 727 O SER A 43 35.954 0.276 1.060 1.00 88.16 O ATOM 728 CB SER A 43 37.353 -0.319 4.020 1.00123.68 C ATOM 729 OG SER A 43 37.976 0.250 5.159 1.00239.07 O ATOM 0 H SER A 43 36.469 1.970 3.717 1.00110.08 H new ATOM 0 HA SER A 43 38.708 0.570 2.613 1.00115.78 H new ATOM 0 HB2 SER A 43 36.278 -0.386 4.185 1.00123.68 H new ATOM 0 HB3 SER A 43 37.717 -1.336 3.873 1.00123.68 H new ATOM 0 HG SER A 43 37.782 -0.300 5.947 1.00239.07 H new ATOM 735 N THR A 44 37.641 -1.221 1.061 1.00124.16 N ATOM 736 CA THR A 44 37.162 -1.956 -0.109 1.00127.73 C ATOM 737 C THR A 44 35.753 -2.508 0.125 1.00110.92 C ATOM 738 O THR A 44 34.905 -2.470 -0.770 1.00105.30 O ATOM 739 CB THR A 44 38.119 -3.116 -0.459 1.00167.62 C ATOM 740 OG1 THR A 44 39.431 -2.603 -0.717 1.00188.24 O ATOM 741 CG2 THR A 44 37.634 -3.887 -1.679 1.00192.01 C ATOM 0 H THR A 44 38.498 -1.596 1.467 1.00124.16 H new ATOM 0 HA THR A 44 37.131 -1.256 -0.944 1.00127.73 H new ATOM 0 HB THR A 44 38.144 -3.796 0.392 1.00167.62 H new ATOM 0 HG1 THR A 44 40.034 -3.343 -0.937 1.00188.24 H new ATOM 0 HG21 THR A 44 38.330 -4.696 -1.898 1.00192.01 H new ATOM 0 HG22 THR A 44 36.646 -4.302 -1.478 1.00192.01 H new ATOM 0 HG23 THR A 44 37.578 -3.215 -2.535 1.00192.01 H new ATOM 749 N VAL A 45 35.508 -3.003 1.334 1.00112.05 N ATOM 750 CA VAL A 45 34.205 -3.559 1.689 1.00108.03 C ATOM 751 C VAL A 45 33.127 -2.475 1.669 1.00 83.86 C ATOM 752 O VAL A 45 32.031 -2.688 1.149 1.00 73.11 O ATOM 753 CB VAL A 45 34.248 -4.214 3.092 1.00130.87 C ATOM 754 CG1 VAL A 45 32.853 -4.593 3.569 1.00278.45 C ATOM 755 CG2 VAL A 45 35.160 -5.433 3.080 1.00128.50 C ATOM 0 H VAL A 45 36.196 -3.031 2.087 1.00112.05 H new ATOM 0 HA VAL A 45 33.960 -4.320 0.948 1.00108.03 H new ATOM 0 HB VAL A 45 34.651 -3.483 3.793 1.00130.87 H new ATOM 0 HG11 VAL A 45 32.918 -5.050 4.556 1.00278.45 H new ATOM 0 HG12 VAL A 45 32.232 -3.699 3.623 1.00278.45 H new ATOM 0 HG13 VAL A 45 32.409 -5.302 2.870 1.00278.45 H new ATOM 0 HG21 VAL A 45 35.180 -5.882 4.073 1.00128.50 H new ATOM 0 HG22 VAL A 45 34.785 -6.161 2.360 1.00128.50 H new ATOM 0 HG23 VAL A 45 36.169 -5.130 2.799 1.00128.50 H new ATOM 765 N GLN A 46 33.453 -1.310 2.223 1.00 84.69 N ATOM 766 CA GLN A 46 32.514 -0.193 2.267 1.00 73.08 C ATOM 767 C GLN A 46 32.190 0.307 0.861 1.00 62.50 C ATOM 768 O GLN A 46 31.044 0.644 0.565 1.00 57.12 O ATOM 769 CB GLN A 46 33.082 0.947 3.117 1.00 83.39 C ATOM 770 CG GLN A 46 33.198 0.600 4.593 1.00132.44 C ATOM 771 CD GLN A 46 31.862 0.238 5.213 1.00203.35 C ATOM 772 OE1 GLN A 46 30.899 0.997 5.125 1.00316.42 O ATOM 773 NE2 GLN A 46 31.795 -0.931 5.836 1.00302.94 N ATOM 0 H GLN A 46 34.360 -1.115 2.647 1.00 84.69 H new ATOM 0 HA GLN A 46 31.589 -0.547 2.723 1.00 73.08 H new ATOM 0 HB2 GLN A 46 34.067 1.218 2.737 1.00 83.39 H new ATOM 0 HB3 GLN A 46 32.445 1.825 3.007 1.00 83.39 H new ATOM 0 HG2 GLN A 46 33.888 -0.235 4.713 1.00132.44 H new ATOM 0 HG3 GLN A 46 33.626 1.447 5.129 1.00132.44 H new ATOM 0 HE21 GLN A 46 32.619 -1.530 5.886 1.00302.94 H new ATOM 0 HE22 GLN A 46 30.920 -1.231 6.265 1.00302.94 H new ATOM 782 N LYS A 47 33.209 0.357 0.003 1.00 68.99 N ATOM 783 CA LYS A 47 33.030 0.806 -1.377 1.00 69.16 C ATOM 784 C LYS A 47 32.056 -0.107 -2.123 1.00 64.72 C ATOM 785 O LYS A 47 31.140 0.369 -2.796 1.00 64.19 O ATOM 786 CB LYS A 47 34.383 0.839 -2.097 1.00 90.60 C ATOM 787 CG LYS A 47 34.303 1.318 -3.538 1.00150.76 C ATOM 788 CD LYS A 47 35.675 1.351 -4.190 1.00204.08 C ATOM 789 CE LYS A 47 35.592 1.823 -5.634 1.00309.70 C ATOM 790 NZ LYS A 47 36.934 1.868 -6.282 1.00470.35 N1+ ATOM 0 H LYS A 47 34.165 0.092 0.239 1.00 68.99 H new ATOM 0 HA LYS A 47 32.610 1.812 -1.361 1.00 69.16 H new ATOM 0 HB2 LYS A 47 35.061 1.490 -1.545 1.00 90.60 H new ATOM 0 HB3 LYS A 47 34.817 -0.161 -2.080 1.00 90.60 H new ATOM 0 HG2 LYS A 47 33.645 0.660 -4.105 1.00150.76 H new ATOM 0 HG3 LYS A 47 33.861 2.314 -3.568 1.00150.76 H new ATOM 0 HD2 LYS A 47 36.332 2.014 -3.626 1.00204.08 H new ATOM 0 HD3 LYS A 47 36.120 0.357 -4.156 1.00204.08 H new ATOM 0 HE2 LYS A 47 34.939 1.156 -6.197 1.00309.70 H new ATOM 0 HE3 LYS A 47 35.140 2.814 -5.667 1.00309.70 H new ATOM 0 HZ1 LYS A 47 36.834 2.194 -7.264 1.00470.35 H new ATOM 0 HZ2 LYS A 47 37.550 2.524 -5.760 1.00470.35 H new ATOM 0 HZ3 LYS A 47 37.355 0.917 -6.274 1.00470.35 H new ATOM 804 N LYS A 48 32.259 -1.419 -1.993 1.00 67.82 N ATOM 805 CA LYS A 48 31.394 -2.402 -2.643 1.00 69.90 C ATOM 806 C LYS A 48 29.974 -2.354 -2.080 1.00 62.02 C ATOM 807 O LYS A 48 28.999 -2.501 -2.819 1.00 68.08 O ATOM 808 CB LYS A 48 31.972 -3.810 -2.494 1.00 78.57 C ATOM 809 CG LYS A 48 33.239 -4.035 -3.307 1.00114.97 C ATOM 810 CD LYS A 48 33.768 -5.449 -3.134 1.00200.36 C ATOM 811 CE LYS A 48 35.024 -5.679 -3.958 1.00259.67 C ATOM 812 NZ LYS A 48 35.550 -7.061 -3.791 1.00369.78 N1+ ATOM 0 H LYS A 48 33.016 -1.825 -1.443 1.00 67.82 H new ATOM 0 HA LYS A 48 31.347 -2.150 -3.702 1.00 69.90 H new ATOM 0 HB2 LYS A 48 32.187 -3.997 -1.442 1.00 78.57 H new ATOM 0 HB3 LYS A 48 31.220 -4.537 -2.799 1.00 78.57 H new ATOM 0 HG2 LYS A 48 33.034 -3.849 -4.361 1.00114.97 H new ATOM 0 HG3 LYS A 48 34.002 -3.320 -2.999 1.00114.97 H new ATOM 0 HD2 LYS A 48 33.984 -5.631 -2.081 1.00200.36 H new ATOM 0 HD3 LYS A 48 33.001 -6.164 -3.431 1.00200.36 H new ATOM 0 HE2 LYS A 48 34.806 -5.498 -5.011 1.00259.67 H new ATOM 0 HE3 LYS A 48 35.789 -4.961 -3.663 1.00259.67 H new ATOM 0 HZ1 LYS A 48 36.407 -7.179 -4.369 1.00369.78 H new ATOM 0 HZ2 LYS A 48 35.782 -7.226 -2.791 1.00369.78 H new ATOM 0 HZ3 LYS A 48 34.830 -7.746 -4.097 1.00369.78 H new ATOM 826 N ALA A 49 29.870 -2.155 -0.767 1.00 57.48 N ATOM 827 CA ALA A 49 28.578 -2.086 -0.088 1.00 60.42 C ATOM 828 C ALA A 49 27.724 -0.933 -0.618 1.00 61.38 C ATOM 829 O ALA A 49 26.507 -1.065 -0.758 1.00 66.37 O ATOM 830 CB ALA A 49 28.776 -1.944 1.415 1.00 66.79 C ATOM 0 H ALA A 49 30.672 -2.038 -0.148 1.00 57.48 H new ATOM 0 HA ALA A 49 28.048 -3.016 -0.293 1.00 60.42 H new ATOM 0 HB1 ALA A 49 27.805 -1.894 1.907 1.00 66.79 H new ATOM 0 HB2 ALA A 49 29.330 -2.804 1.792 1.00 66.79 H new ATOM 0 HB3 ALA A 49 29.336 -1.032 1.624 1.00 66.79 H new ATOM 836 N LEU A 50 28.373 0.196 -0.905 1.00 62.68 N ATOM 837 CA LEU A 50 27.684 1.384 -1.418 1.00 69.31 C ATOM 838 C LEU A 50 26.976 1.107 -2.746 1.00 70.74 C ATOM 839 O LEU A 50 25.952 1.724 -3.044 1.00 73.63 O ATOM 840 CB LEU A 50 28.667 2.548 -1.585 1.00 82.39 C ATOM 841 CG LEU A 50 28.585 3.637 -0.508 1.00116.72 C ATOM 842 CD1 LEU A 50 27.231 4.332 -0.550 1.00238.30 C ATOM 843 CD2 LEU A 50 28.844 3.056 0.875 1.00212.40 C ATOM 0 H LEU A 50 29.380 0.314 -0.791 1.00 62.68 H new ATOM 0 HA LEU A 50 26.925 1.655 -0.684 1.00 69.31 H new ATOM 0 HB2 LEU A 50 29.680 2.147 -1.596 1.00 82.39 H new ATOM 0 HB3 LEU A 50 28.496 3.009 -2.558 1.00 82.39 H new ATOM 0 HG LEU A 50 29.359 4.376 -0.716 1.00116.72 H new ATOM 0 HD11 LEU A 50 27.193 5.101 0.222 1.00238.30 H new ATOM 0 HD12 LEU A 50 27.088 4.792 -1.528 1.00238.30 H new ATOM 0 HD13 LEU A 50 26.441 3.602 -0.374 1.00238.30 H new ATOM 0 HD21 LEU A 50 28.780 3.849 1.620 1.00212.40 H new ATOM 0 HD22 LEU A 50 28.099 2.291 1.094 1.00212.40 H new ATOM 0 HD23 LEU A 50 29.839 2.612 0.902 1.00212.40 H new ATOM 855 N TYR A 51 27.525 0.190 -3.544 1.00 75.10 N ATOM 856 CA TYR A 51 26.923 -0.160 -4.832 1.00 85.35 C ATOM 857 C TYR A 51 25.529 -0.754 -4.635 1.00 79.83 C ATOM 858 O TYR A 51 24.604 -0.448 -5.389 1.00 87.67 O ATOM 859 CB TYR A 51 27.810 -1.149 -5.592 1.00 99.89 C ATOM 860 CG TYR A 51 28.959 -0.501 -6.336 1.00148.88 C ATOM 861 CD1 TYR A 51 30.140 -0.165 -5.682 1.00210.99 C ATOM 862 CD2 TYR A 51 28.866 -0.233 -7.696 1.00198.78 C ATOM 863 CE1 TYR A 51 31.190 0.422 -6.362 1.00319.60 C ATOM 864 CE2 TYR A 51 29.911 0.354 -8.381 1.00303.12 C ATOM 865 CZ TYR A 51 31.070 0.679 -7.710 1.00362.33 C ATOM 866 OH TYR A 51 32.114 1.262 -8.391 1.00526.93 O ATOM 0 H TYR A 51 28.380 -0.321 -3.324 1.00 75.10 H new ATOM 0 HA TYR A 51 26.833 0.754 -5.420 1.00 85.35 H new ATOM 0 HB2 TYR A 51 28.212 -1.877 -4.887 1.00 99.89 H new ATOM 0 HB3 TYR A 51 27.195 -1.700 -6.303 1.00 99.89 H new ATOM 0 HD1 TYR A 51 30.238 -0.366 -4.625 1.00210.99 H new ATOM 0 HD2 TYR A 51 27.961 -0.488 -8.227 1.00198.78 H new ATOM 0 HE1 TYR A 51 32.100 0.678 -5.839 1.00319.60 H new ATOM 0 HE2 TYR A 51 29.821 0.558 -9.438 1.00303.12 H new ATOM 0 HH TYR A 51 31.868 1.374 -9.333 1.00526.93 H new ATOM 876 N PHE A 52 25.390 -1.605 -3.621 1.00 73.80 N ATOM 877 CA PHE A 52 24.104 -2.223 -3.303 1.00 78.52 C ATOM 878 C PHE A 52 23.117 -1.163 -2.820 1.00 77.09 C ATOM 879 O PHE A 52 21.939 -1.179 -3.180 1.00 86.78 O ATOM 880 CB PHE A 52 24.276 -3.317 -2.247 1.00 81.58 C ATOM 881 CG PHE A 52 23.015 -4.085 -1.964 1.00 88.24 C ATOM 882 CD1 PHE A 52 22.544 -5.026 -2.867 1.00 96.73 C ATOM 883 CD2 PHE A 52 22.302 -3.872 -0.793 1.00114.33 C ATOM 884 CE1 PHE A 52 21.388 -5.737 -2.609 1.00134.05 C ATOM 885 CE2 PHE A 52 21.146 -4.581 -0.531 1.00151.49 C ATOM 886 CZ PHE A 52 20.688 -5.514 -1.441 1.00162.88 C ATOM 0 H PHE A 52 26.153 -1.883 -3.004 1.00 73.80 H new ATOM 0 HA PHE A 52 23.708 -2.684 -4.208 1.00 78.52 H new ATOM 0 HB2 PHE A 52 25.048 -4.012 -2.578 1.00 81.58 H new ATOM 0 HB3 PHE A 52 24.631 -2.864 -1.321 1.00 81.58 H new ATOM 0 HD1 PHE A 52 23.087 -5.205 -3.783 1.00 96.73 H new ATOM 0 HD2 PHE A 52 22.655 -3.143 -0.078 1.00114.33 H new ATOM 0 HE1 PHE A 52 21.032 -6.467 -3.321 1.00134.05 H new ATOM 0 HE2 PHE A 52 20.601 -4.406 0.385 1.00151.49 H new ATOM 0 HZ PHE A 52 19.783 -6.068 -1.239 1.00162.88 H new ATOM 896 N VAL A 53 23.623 -0.241 -2.000 1.00 72.38 N ATOM 897 CA VAL A 53 22.815 0.849 -1.456 1.00 78.11 C ATOM 898 C VAL A 53 22.261 1.717 -2.582 1.00 78.26 C ATOM 899 O VAL A 53 21.102 2.132 -2.546 1.00 82.85 O ATOM 900 CB VAL A 53 23.637 1.728 -0.487 1.00 88.71 C ATOM 901 CG1 VAL A 53 22.862 2.980 -0.092 1.00139.01 C ATOM 902 CG2 VAL A 53 24.039 0.932 0.747 1.00 99.39 C ATOM 0 H VAL A 53 24.597 -0.229 -1.697 1.00 72.38 H new ATOM 0 HA VAL A 53 21.989 0.400 -0.904 1.00 78.11 H new ATOM 0 HB VAL A 53 24.543 2.044 -1.004 1.00 88.71 H new ATOM 0 HG11 VAL A 53 23.464 3.580 0.590 1.00139.01 H new ATOM 0 HG12 VAL A 53 22.634 3.563 -0.984 1.00139.01 H new ATOM 0 HG13 VAL A 53 21.933 2.693 0.401 1.00139.01 H new ATOM 0 HG21 VAL A 53 24.617 1.568 1.418 1.00 99.39 H new ATOM 0 HG22 VAL A 53 23.144 0.581 1.261 1.00 99.39 H new ATOM 0 HG23 VAL A 53 24.644 0.076 0.447 1.00 99.39 H new ATOM 912 N ASN A 54 23.102 1.982 -3.581 1.00 78.13 N ATOM 913 CA ASN A 54 22.708 2.797 -4.726 1.00 83.25 C ATOM 914 C ASN A 54 21.510 2.175 -5.438 1.00 84.63 C ATOM 915 O ASN A 54 20.578 2.881 -5.827 1.00 86.92 O ATOM 916 CB ASN A 54 23.884 2.943 -5.699 1.00 91.85 C ATOM 917 CG ASN A 54 23.552 3.803 -6.904 1.00 96.19 C ATOM 918 OD1 ASN A 54 23.229 3.293 -7.975 1.00198.61 O ATOM 919 ND2 ASN A 54 23.635 5.115 -6.738 1.00192.41 N ATOM 0 H ASN A 54 24.063 1.642 -3.619 1.00 78.13 H new ATOM 0 HA ASN A 54 22.422 3.785 -4.367 1.00 83.25 H new ATOM 0 HB2 ASN A 54 24.733 3.378 -5.172 1.00 91.85 H new ATOM 0 HB3 ASN A 54 24.192 1.954 -6.039 1.00 91.85 H new ATOM 0 HD21 ASN A 54 23.427 5.742 -7.516 1.00192.41 H new ATOM 0 HD22 ASN A 54 23.907 5.498 -5.833 1.00192.41 H new ATOM 926 N ARG A 55 21.534 0.850 -5.598 1.00 88.50 N ATOM 927 CA ARG A 55 20.436 0.140 -6.253 1.00 98.75 C ATOM 928 C ARG A 55 19.138 0.284 -5.456 1.00 97.79 C ATOM 929 O ARG A 55 18.076 0.529 -6.029 1.00101.21 O ATOM 930 CB ARG A 55 20.781 -1.345 -6.405 1.00116.41 C ATOM 931 CG ARG A 55 21.916 -1.622 -7.380 1.00288.25 C ATOM 932 CD ARG A 55 21.501 -1.350 -8.818 1.00341.30 C ATOM 933 NE ARG A 55 22.567 -1.671 -9.765 1.00604.73 N ATOM 934 CZ ARG A 55 22.777 -2.888 -10.264 1.00899.45 C ATOM 935 NH1 ARG A 55 21.985 -3.899 -9.927 1.00985.87 N1+ ATOM 936 NH2 ARG A 55 23.780 -3.092 -11.110 1.00999.99 N ATOM 0 H ARG A 55 22.298 0.251 -5.285 1.00 88.50 H new ATOM 0 HA ARG A 55 20.291 0.582 -7.239 1.00 98.75 H new ATOM 0 HB2 ARG A 55 21.049 -1.747 -5.428 1.00116.41 H new ATOM 0 HB3 ARG A 55 19.892 -1.881 -6.737 1.00116.41 H new ATOM 0 HG2 ARG A 55 22.774 -1.001 -7.125 1.00288.25 H new ATOM 0 HG3 ARG A 55 22.234 -2.660 -7.283 1.00288.25 H new ATOM 0 HD2 ARG A 55 20.615 -1.938 -9.057 1.00341.30 H new ATOM 0 HD3 ARG A 55 21.226 -0.301 -8.924 1.00341.30 H new ATOM 0 HE ARG A 55 23.187 -0.918 -10.062 1.00604.73 H new ATOM 0 HH11 ARG A 55 21.210 -3.746 -9.282 1.00985.87 H new ATOM 0 HH12 ARG A 55 22.152 -4.828 -10.313 1.00985.87 H new ATOM 0 HH21 ARG A 55 24.388 -2.318 -11.377 1.00999.99 H new ATOM 0 HH22 ARG A 55 23.943 -4.023 -11.493 1.00999.99 H new ATOM 950 N ARG A 56 19.227 0.121 -4.132 1.00 98.41 N ATOM 951 CA ARG A 56 18.056 0.256 -3.262 1.00106.42 C ATOM 952 C ARG A 56 17.525 1.686 -3.271 1.00100.09 C ATOM 953 O ARG A 56 16.316 1.913 -3.325 1.00108.57 O ATOM 954 CB ARG A 56 18.391 -0.157 -1.827 1.00116.55 C ATOM 955 CG ARG A 56 18.625 -1.648 -1.653 1.00185.66 C ATOM 956 CD ARG A 56 18.724 -2.024 -0.182 1.00266.48 C ATOM 957 NE ARG A 56 19.894 -1.429 0.461 1.00347.92 N ATOM 958 CZ ARG A 56 20.114 -1.472 1.772 1.00504.69 C ATOM 959 NH1 ARG A 56 19.246 -2.077 2.573 1.00659.58 N1+ ATOM 960 NH2 ARG A 56 21.202 -0.910 2.282 1.00799.65 N ATOM 0 H ARG A 56 20.093 -0.103 -3.642 1.00 98.41 H new ATOM 0 HA ARG A 56 17.284 -0.407 -3.652 1.00106.42 H new ATOM 0 HB2 ARG A 56 19.282 0.381 -1.504 1.00116.55 H new ATOM 0 HB3 ARG A 56 17.577 0.152 -1.171 1.00116.55 H new ATOM 0 HG2 ARG A 56 17.810 -2.203 -2.118 1.00185.66 H new ATOM 0 HG3 ARG A 56 19.542 -1.937 -2.167 1.00185.66 H new ATOM 0 HD2 ARG A 56 17.822 -1.699 0.336 1.00266.48 H new ATOM 0 HD3 ARG A 56 18.772 -3.109 -0.088 1.00266.48 H new ATOM 0 HE ARG A 56 20.579 -0.955 -0.128 1.00347.92 H new ATOM 0 HH11 ARG A 56 18.409 -2.510 2.183 1.00659.58 H new ATOM 0 HH12 ARG A 56 19.416 -2.109 3.578 1.00659.58 H new ATOM 0 HH21 ARG A 56 21.871 -0.444 1.669 1.00799.65 H new ATOM 0 HH22 ARG A 56 21.370 -0.944 3.288 1.00799.65 H new ATOM 974 N TYR A 57 18.451 2.643 -3.218 1.00 92.07 N ATOM 975 CA TYR A 57 18.107 4.063 -3.224 1.00 93.10 C ATOM 976 C TYR A 57 17.394 4.434 -4.519 1.00 88.78 C ATOM 977 O TYR A 57 16.385 5.143 -4.505 1.00 94.67 O ATOM 978 CB TYR A 57 19.363 4.922 -3.040 1.00 97.74 C ATOM 979 CG TYR A 57 19.077 6.406 -2.972 1.00101.00 C ATOM 980 CD1 TYR A 57 18.501 6.968 -1.839 1.00118.80 C ATOM 981 CD2 TYR A 57 19.382 7.244 -4.036 1.00 98.55 C ATOM 982 CE1 TYR A 57 18.237 8.321 -1.770 1.00134.59 C ATOM 983 CE2 TYR A 57 19.121 8.599 -3.973 1.00109.80 C ATOM 984 CZ TYR A 57 18.548 9.132 -2.839 1.00127.99 C ATOM 985 OH TYR A 57 18.285 10.481 -2.773 1.00151.58 O ATOM 0 H TYR A 57 19.453 2.457 -3.170 1.00 92.07 H new ATOM 0 HA TYR A 57 17.432 4.256 -2.390 1.00 93.10 H new ATOM 0 HB2 TYR A 57 19.871 4.616 -2.126 1.00 97.74 H new ATOM 0 HB3 TYR A 57 20.049 4.730 -3.865 1.00 97.74 H new ATOM 0 HD1 TYR A 57 18.256 6.336 -0.999 1.00118.80 H new ATOM 0 HD2 TYR A 57 19.830 6.830 -4.927 1.00 98.55 H new ATOM 0 HE1 TYR A 57 17.789 8.742 -0.882 1.00134.59 H new ATOM 0 HE2 TYR A 57 19.365 9.238 -4.809 1.00109.80 H new ATOM 0 HH TYR A 57 18.864 10.958 -3.403 1.00151.58 H new ATOM 995 N MET A 58 17.926 3.943 -5.636 1.00 85.58 N ATOM 996 CA MET A 58 17.355 4.216 -6.948 1.00 88.65 C ATOM 997 C MET A 58 15.912 3.720 -7.024 1.00 92.75 C ATOM 998 O MET A 58 15.047 4.392 -7.582 1.00 94.75 O ATOM 999 CB MET A 58 18.188 3.533 -8.036 1.00 98.54 C ATOM 1000 CG MET A 58 17.846 3.990 -9.444 1.00121.45 C ATOM 1001 SD MET A 58 18.163 2.727 -10.691 1.00168.43 S ATOM 1002 CE MET A 58 16.567 1.915 -10.760 1.00126.04 C ATOM 0 H MET A 58 18.756 3.351 -5.656 1.00 85.58 H new ATOM 0 HA MET A 58 17.365 5.294 -7.106 1.00 88.65 H new ATOM 0 HB2 MET A 58 19.244 3.726 -7.847 1.00 98.54 H new ATOM 0 HB3 MET A 58 18.044 2.455 -7.968 1.00 98.54 H new ATOM 0 HG2 MET A 58 16.795 4.275 -9.482 1.00121.45 H new ATOM 0 HG3 MET A 58 18.427 4.881 -9.682 1.00121.45 H new ATOM 0 HE1 MET A 58 16.602 1.106 -11.490 1.00126.04 H new ATOM 0 HE2 MET A 58 16.323 1.508 -9.779 1.00126.04 H new ATOM 0 HE3 MET A 58 15.804 2.636 -11.053 1.00126.04 H new ATOM 1012 N GLN A 59 15.665 2.541 -6.454 1.00100.87 N ATOM 1013 CA GLN A 59 14.327 1.952 -6.455 1.00116.67 C ATOM 1014 C GLN A 59 13.335 2.821 -5.680 1.00119.74 C ATOM 1015 O GLN A 59 12.205 3.028 -6.124 1.00129.32 O ATOM 1016 CB GLN A 59 14.370 0.548 -5.847 1.00136.14 C ATOM 1017 CG GLN A 59 15.100 -0.466 -6.714 1.00224.10 C ATOM 1018 CD GLN A 59 15.141 -1.848 -6.093 1.00331.95 C ATOM 1019 OE1 GLN A 59 14.116 -2.379 -5.667 1.00419.53 O ATOM 1020 NE2 GLN A 59 16.327 -2.436 -6.033 1.00530.56 N ATOM 0 H GLN A 59 16.373 1.976 -5.986 1.00100.87 H new ATOM 0 HA GLN A 59 13.990 1.891 -7.490 1.00116.67 H new ATOM 0 HB2 GLN A 59 14.856 0.597 -4.872 1.00136.14 H new ATOM 0 HB3 GLN A 59 13.350 0.202 -5.678 1.00136.14 H new ATOM 0 HG2 GLN A 59 14.612 -0.524 -7.687 1.00224.10 H new ATOM 0 HG3 GLN A 59 16.119 -0.121 -6.889 1.00224.10 H new ATOM 0 HE21 GLN A 59 17.152 -1.960 -6.398 1.00530.56 H new ATOM 0 HE22 GLN A 59 16.415 -3.365 -5.621 1.00530.56 H new ATOM 1029 N THR A 60 13.761 3.336 -4.525 1.00119.28 N ATOM 1030 CA THR A 60 12.898 4.191 -3.714 1.00133.33 C ATOM 1031 C THR A 60 12.702 5.557 -4.371 1.00123.04 C ATOM 1032 O THR A 60 11.613 6.130 -4.322 1.00131.40 O ATOM 1033 CB THR A 60 13.450 4.378 -2.281 1.00155.64 C ATOM 1034 OG1 THR A 60 14.766 4.944 -2.311 1.00210.19 O ATOM 1035 CG2 THR A 60 13.489 3.049 -1.540 1.00293.49 C ATOM 0 H THR A 60 14.690 3.177 -4.135 1.00119.28 H new ATOM 0 HA THR A 60 11.934 3.686 -3.645 1.00133.33 H new ATOM 0 HB THR A 60 12.781 5.060 -1.757 1.00155.64 H new ATOM 0 HG1 THR A 60 15.125 4.889 -3.221 1.00210.19 H new ATOM 0 HG21 THR A 60 13.880 3.204 -0.535 1.00293.49 H new ATOM 0 HG22 THR A 60 12.482 2.638 -1.478 1.00293.49 H new ATOM 0 HG23 THR A 60 14.133 2.352 -2.076 1.00293.49 H new ATOM 1043 N HIS A 61 13.768 6.069 -4.985 1.00113.35 N ATOM 1044 CA HIS A 61 13.722 7.357 -5.673 1.00115.98 C ATOM 1045 C HIS A 61 12.753 7.276 -6.854 1.00107.49 C ATOM 1046 O HIS A 61 11.938 8.175 -7.073 1.00114.22 O ATOM 1047 CB HIS A 61 15.133 7.740 -6.142 1.00122.87 C ATOM 1048 CG HIS A 61 15.266 9.154 -6.625 1.00131.92 C ATOM 1049 ND1 HIS A 61 14.960 9.569 -7.900 1.00275.05 N ATOM 1050 CD2 HIS A 61 15.700 10.260 -5.967 1.00279.92 C ATOM 1051 CE1 HIS A 61 15.216 10.882 -7.979 1.00359.22 C ATOM 1052 NE2 HIS A 61 15.665 11.349 -6.832 1.00383.72 N ATOM 0 H HIS A 61 14.677 5.608 -5.019 1.00113.35 H new ATOM 0 HA HIS A 61 13.365 8.128 -4.990 1.00115.98 H new ATOM 0 HB2 HIS A 61 15.831 7.583 -5.319 1.00122.87 H new ATOM 0 HB3 HIS A 61 15.431 7.066 -6.945 1.00122.87 H new ATOM 0 HD2 HIS A 61 16.021 10.289 -4.936 1.00279.92 H new ATOM 0 HE1 HIS A 61 15.073 11.479 -8.867 1.00359.22 H new ATOM 0 HE2 HIS A 61 15.932 12.311 -6.622 1.00383.72 H new ATOM 1060 N TRP A 62 12.863 6.183 -7.609 1.00103.09 N ATOM 1061 CA TRP A 62 12.005 5.930 -8.764 1.00108.22 C ATOM 1062 C TRP A 62 10.533 5.820 -8.368 1.00109.99 C ATOM 1063 O TRP A 62 9.675 6.418 -9.010 1.00109.87 O ATOM 1064 CB TRP A 62 12.460 4.656 -9.492 1.00127.48 C ATOM 1065 CG TRP A 62 11.477 4.149 -10.509 1.00133.67 C ATOM 1066 CD1 TRP A 62 10.878 2.921 -10.517 1.00247.58 C ATOM 1067 CD2 TRP A 62 10.961 4.853 -11.649 1.00179.60 C ATOM 1068 NE1 TRP A 62 10.033 2.814 -11.595 1.00312.83 N ATOM 1069 CE2 TRP A 62 10.065 3.985 -12.303 1.00226.72 C ATOM 1070 CE3 TRP A 62 11.171 6.127 -12.181 1.00343.23 C ATOM 1071 CZ2 TRP A 62 9.380 4.355 -13.457 1.00315.75 C ATOM 1072 CZ3 TRP A 62 10.491 6.492 -13.327 1.00497.00 C ATOM 1073 CH2 TRP A 62 9.605 5.609 -13.953 1.00423.30 C ATOM 0 H TRP A 62 13.550 5.449 -7.436 1.00103.09 H new ATOM 0 HA TRP A 62 12.098 6.782 -9.438 1.00108.22 H new ATOM 0 HB2 TRP A 62 13.411 4.853 -9.987 1.00127.48 H new ATOM 0 HB3 TRP A 62 12.641 3.874 -8.755 1.00127.48 H new ATOM 0 HD1 TRP A 62 11.045 2.147 -9.783 1.00247.58 H new ATOM 0 HE1 TRP A 62 9.473 1.995 -11.830 1.00312.83 H new ATOM 0 HE3 TRP A 62 11.853 6.815 -11.705 1.00343.23 H new ATOM 0 HZ2 TRP A 62 8.695 3.676 -13.943 1.00315.75 H new ATOM 0 HZ3 TRP A 62 10.646 7.475 -13.746 1.00497.00 H new ATOM 0 HH2 TRP A 62 9.088 5.924 -14.847 1.00423.30 H new ATOM 1084 N ALA A 63 10.255 5.073 -7.301 1.00122.59 N ATOM 1085 CA ALA A 63 8.881 4.858 -6.844 1.00140.54 C ATOM 1086 C ALA A 63 8.159 6.167 -6.524 1.00132.51 C ATOM 1087 O ALA A 63 6.973 6.311 -6.829 1.00138.48 O ATOM 1088 CB ALA A 63 8.868 3.944 -5.627 1.00177.00 C ATOM 0 H ALA A 63 10.963 4.605 -6.735 1.00122.59 H new ATOM 0 HA ALA A 63 8.342 4.384 -7.664 1.00140.54 H new ATOM 0 HB1 ALA A 63 7.840 3.792 -5.297 1.00177.00 H new ATOM 0 HB2 ALA A 63 9.311 2.983 -5.889 1.00177.00 H new ATOM 0 HB3 ALA A 63 9.444 4.401 -4.822 1.00177.00 H new ATOM 1094 N ASN A 64 8.869 7.115 -5.916 1.00130.71 N ATOM 1095 CA ASN A 64 8.274 8.407 -5.562 1.00142.85 C ATOM 1096 C ASN A 64 7.803 9.173 -6.802 1.00123.82 C ATOM 1097 O ASN A 64 6.733 9.779 -6.795 1.00135.07 O ATOM 1098 CB ASN A 64 9.277 9.262 -4.779 1.00164.43 C ATOM 1099 CG ASN A 64 9.503 8.755 -3.368 1.00265.68 C ATOM 1100 OD1 ASN A 64 8.678 8.029 -2.816 1.00385.44 O ATOM 1101 ND2 ASN A 64 10.625 9.137 -2.774 1.00478.76 N ATOM 0 H ASN A 64 9.851 7.017 -5.658 1.00130.71 H new ATOM 0 HA ASN A 64 7.404 8.203 -4.938 1.00142.85 H new ATOM 0 HB2 ASN A 64 10.228 9.278 -5.311 1.00164.43 H new ATOM 0 HB3 ASN A 64 8.917 10.290 -4.738 1.00164.43 H new ATOM 0 HD21 ASN A 64 10.830 8.828 -1.824 1.00478.76 H new ATOM 0 HD22 ASN A 64 11.283 9.740 -3.267 1.00478.76 H new ATOM 1108 N TYR A 65 8.608 9.145 -7.862 1.00107.76 N ATOM 1109 CA TYR A 65 8.259 9.837 -9.104 1.00105.48 C ATOM 1110 C TYR A 65 7.317 9.000 -9.966 1.00 96.64 C ATOM 1111 O TYR A 65 6.456 9.542 -10.663 1.00 99.98 O ATOM 1112 CB TYR A 65 9.523 10.185 -9.896 1.00113.05 C ATOM 1113 CG TYR A 65 10.334 11.304 -9.279 1.00145.73 C ATOM 1114 CD1 TYR A 65 11.296 11.043 -8.312 1.00232.85 C ATOM 1115 CD2 TYR A 65 10.133 12.624 -9.665 1.00235.47 C ATOM 1116 CE1 TYR A 65 12.034 12.064 -7.745 1.00386.18 C ATOM 1117 CE2 TYR A 65 10.870 13.651 -9.104 1.00391.55 C ATOM 1118 CZ TYR A 65 11.818 13.364 -8.145 1.00454.97 C ATOM 1119 OH TYR A 65 12.553 14.384 -7.583 1.00727.09 O ATOM 0 H TYR A 65 9.502 8.654 -7.888 1.00107.76 H new ATOM 0 HA TYR A 65 7.741 10.757 -8.834 1.00105.48 H new ATOM 0 HB2 TYR A 65 10.148 9.296 -9.976 1.00113.05 H new ATOM 0 HB3 TYR A 65 9.240 10.468 -10.910 1.00113.05 H new ATOM 0 HD1 TYR A 65 11.470 10.024 -7.998 1.00232.85 H new ATOM 0 HD2 TYR A 65 9.390 12.851 -10.415 1.00235.47 H new ATOM 0 HE1 TYR A 65 12.776 11.844 -6.992 1.00386.18 H new ATOM 0 HE2 TYR A 65 10.704 14.672 -9.415 1.00391.55 H new ATOM 0 HH TYR A 65 12.279 15.239 -7.975 1.00727.09 H new ATOM 1129 N MET A 66 7.493 7.680 -9.911 1.00100.31 N ATOM 1130 CA MET A 66 6.678 6.736 -10.680 1.00109.39 C ATOM 1131 C MET A 66 5.183 6.952 -10.452 1.00 98.69 C ATOM 1132 O MET A 66 4.395 6.939 -11.399 1.00 95.47 O ATOM 1133 CB MET A 66 7.045 5.296 -10.307 1.00145.18 C ATOM 1134 CG MET A 66 6.284 4.245 -11.099 1.00219.57 C ATOM 1135 SD MET A 66 6.560 2.574 -10.486 1.00467.34 S ATOM 1136 CE MET A 66 5.566 2.594 -8.994 1.00664.46 C ATOM 0 H MET A 66 8.204 7.234 -9.332 1.00100.31 H new ATOM 0 HA MET A 66 6.888 6.913 -11.735 1.00109.39 H new ATOM 0 HB2 MET A 66 8.114 5.151 -10.462 1.00145.18 H new ATOM 0 HB3 MET A 66 6.854 5.146 -9.244 1.00145.18 H new ATOM 0 HG2 MET A 66 5.218 4.469 -11.061 1.00219.57 H new ATOM 0 HG3 MET A 66 6.584 4.297 -12.146 1.00219.57 H new ATOM 0 HE1 MET A 66 5.429 1.574 -8.634 1.00664.46 H new ATOM 0 HE2 MET A 66 6.070 3.184 -8.229 1.00664.46 H new ATOM 0 HE3 MET A 66 4.593 3.036 -9.211 1.00664.46 H new ATOM 1146 N LEU A 67 4.801 7.149 -9.192 1.00106.10 N ATOM 1147 CA LEU A 67 3.396 7.340 -8.839 1.00116.66 C ATOM 1148 C LEU A 67 2.813 8.576 -9.525 1.00108.80 C ATOM 1149 O LEU A 67 1.681 8.548 -10.006 1.00118.57 O ATOM 1150 CB LEU A 67 3.249 7.471 -7.321 1.00148.14 C ATOM 1151 CG LEU A 67 3.554 6.197 -6.526 1.00211.08 C ATOM 1152 CD1 LEU A 67 3.559 6.490 -5.033 1.00447.74 C ATOM 1153 CD2 LEU A 67 2.548 5.106 -6.855 1.00275.63 C ATOM 0 H LEU A 67 5.443 7.181 -8.400 1.00106.10 H new ATOM 0 HA LEU A 67 2.842 6.467 -9.184 1.00116.66 H new ATOM 0 HB2 LEU A 67 3.912 8.264 -6.975 1.00148.14 H new ATOM 0 HB3 LEU A 67 2.230 7.786 -7.096 1.00148.14 H new ATOM 0 HG LEU A 67 4.545 5.843 -6.810 1.00211.08 H new ATOM 0 HD11 LEU A 67 3.777 5.574 -4.483 1.00447.74 H new ATOM 0 HD12 LEU A 67 4.321 7.237 -4.811 1.00447.74 H new ATOM 0 HD13 LEU A 67 2.582 6.869 -4.733 1.00447.74 H new ATOM 0 HD21 LEU A 67 2.782 4.210 -6.280 1.00275.63 H new ATOM 0 HD22 LEU A 67 1.545 5.448 -6.601 1.00275.63 H new ATOM 0 HD23 LEU A 67 2.595 4.877 -7.920 1.00275.63 H new ATOM 1165 N TRP A 68 3.590 9.654 -9.564 1.00106.53 N ATOM 1166 CA TRP A 68 3.151 10.892 -10.203 1.00124.45 C ATOM 1167 C TRP A 68 3.055 10.730 -11.721 1.00115.98 C ATOM 1168 O TRP A 68 2.130 11.242 -12.351 1.00137.68 O ATOM 1169 CB TRP A 68 4.110 12.035 -9.857 1.00141.87 C ATOM 1170 CG TRP A 68 3.935 12.547 -8.459 1.00235.50 C ATOM 1171 CD1 TRP A 68 4.730 12.280 -7.381 1.00490.24 C ATOM 1172 CD2 TRP A 68 2.897 13.414 -7.987 1.00400.41 C ATOM 1173 NE1 TRP A 68 4.251 12.927 -6.268 1.00738.82 N ATOM 1174 CE2 TRP A 68 3.125 13.631 -6.615 1.00651.44 C ATOM 1175 CE3 TRP A 68 1.796 14.028 -8.593 1.00657.26 C ATOM 1176 CZ2 TRP A 68 2.294 14.436 -5.839 1.00999.99 C ATOM 1177 CZ3 TRP A 68 0.972 14.827 -7.823 1.00999.99 C ATOM 1178 CH2 TRP A 68 1.225 15.024 -6.459 1.00999.99 C ATOM 0 H TRP A 68 4.526 9.696 -9.161 1.00106.53 H new ATOM 0 HA TRP A 68 2.157 11.130 -9.824 1.00124.45 H new ATOM 0 HB2 TRP A 68 5.136 11.692 -9.986 1.00141.87 H new ATOM 0 HB3 TRP A 68 3.957 12.854 -10.559 1.00141.87 H new ATOM 0 HD1 TRP A 68 5.608 11.651 -7.401 1.00490.24 H new ATOM 0 HE1 TRP A 68 4.664 12.890 -5.336 1.00738.82 H new ATOM 0 HE3 TRP A 68 1.593 13.880 -9.644 1.00657.26 H new ATOM 0 HZ2 TRP A 68 2.486 14.590 -4.787 1.00999.99 H new ATOM 0 HZ3 TRP A 68 0.119 15.307 -8.280 1.00999.99 H new ATOM 0 HH2 TRP A 68 0.562 15.654 -5.884 1.00999.99 H new ATOM 1189 N ILE A 69 4.023 10.014 -12.296 1.00100.14 N ATOM 1190 CA ILE A 69 4.065 9.776 -13.740 1.00109.34 C ATOM 1191 C ILE A 69 2.846 8.974 -14.209 1.00 98.52 C ATOM 1192 O ILE A 69 2.215 9.315 -15.212 1.00102.48 O ATOM 1193 CB ILE A 69 5.366 9.037 -14.141 1.00126.71 C ATOM 1194 CG1 ILE A 69 6.577 9.950 -13.927 1.00180.43 C ATOM 1195 CG2 ILE A 69 5.306 8.575 -15.594 1.00229.70 C ATOM 1196 CD1 ILE A 69 7.905 9.232 -14.033 1.00398.95 C ATOM 0 H ILE A 69 4.792 9.587 -11.780 1.00100.14 H new ATOM 0 HA ILE A 69 4.047 10.750 -14.230 1.00109.34 H new ATOM 0 HB ILE A 69 5.467 8.156 -13.508 1.00126.71 H new ATOM 0 HG12 ILE A 69 6.549 10.754 -14.662 1.00180.43 H new ATOM 0 HG13 ILE A 69 6.502 10.414 -12.944 1.00180.43 H new ATOM 0 HG21 ILE A 69 6.231 8.059 -15.850 1.00229.70 H new ATOM 0 HG22 ILE A 69 4.464 7.896 -15.725 1.00229.70 H new ATOM 0 HG23 ILE A 69 5.180 9.440 -16.246 1.00229.70 H new ATOM 0 HD11 ILE A 69 8.716 9.942 -13.870 1.00398.95 H new ATOM 0 HD12 ILE A 69 7.954 8.445 -13.280 1.00398.95 H new ATOM 0 HD13 ILE A 69 8.002 8.791 -15.025 1.00398.95 H new ATOM 1208 N ASN A 70 2.516 7.916 -13.468 1.00 98.70 N ATOM 1209 CA ASN A 70 1.379 7.059 -13.807 1.00108.34 C ATOM 1210 C ASN A 70 0.057 7.818 -13.769 1.00120.06 C ATOM 1211 O ASN A 70 -0.826 7.565 -14.591 1.00131.59 O ATOM 1212 CB ASN A 70 1.311 5.845 -12.877 1.00133.91 C ATOM 1213 CG ASN A 70 2.263 4.743 -13.294 1.00223.62 C ATOM 1214 OD1 ASN A 70 1.978 3.983 -14.217 1.00293.89 O ATOM 1215 ND2 ASN A 70 3.402 4.653 -12.629 1.00366.97 N ATOM 0 H ASN A 70 3.020 7.631 -12.628 1.00 98.70 H new ATOM 0 HA ASN A 70 1.538 6.716 -14.829 1.00108.34 H new ATOM 0 HB2 ASN A 70 1.545 6.157 -11.859 1.00133.91 H new ATOM 0 HB3 ASN A 70 0.293 5.456 -12.865 1.00133.91 H new ATOM 0 HD21 ASN A 70 4.081 3.933 -12.876 1.00366.97 H new ATOM 0 HD22 ASN A 70 3.601 5.303 -11.869 1.00366.97 H new ATOM 1222 N LYS A 71 -0.083 8.738 -12.815 1.00128.99 N ATOM 1223 CA LYS A 71 -1.310 9.522 -12.691 1.00158.88 C ATOM 1224 C LYS A 71 -1.562 10.343 -13.952 1.00165.29 C ATOM 1225 O LYS A 71 -2.690 10.414 -14.439 1.00199.45 O ATOM 1226 CB LYS A 71 -1.223 10.467 -11.489 1.00176.32 C ATOM 1227 CG LYS A 71 -1.263 9.768 -10.140 1.00189.37 C ATOM 1228 CD LYS A 71 -1.160 10.768 -8.998 1.00297.71 C ATOM 1229 CE LYS A 71 -1.258 10.085 -7.645 1.00468.76 C ATOM 1230 NZ LYS A 71 -0.148 9.120 -7.430 1.00709.01 N1+ ATOM 0 H LYS A 71 0.632 8.957 -12.122 1.00128.99 H new ATOM 0 HA LYS A 71 -2.135 8.824 -12.548 1.00158.88 H new ATOM 0 HB2 LYS A 71 -0.300 11.042 -11.560 1.00176.32 H new ATOM 0 HB3 LYS A 71 -2.047 11.179 -11.541 1.00176.32 H new ATOM 0 HG2 LYS A 71 -2.190 9.202 -10.048 1.00189.37 H new ATOM 0 HG3 LYS A 71 -0.444 9.052 -10.074 1.00189.37 H new ATOM 0 HD2 LYS A 71 -0.214 11.304 -9.068 1.00297.71 H new ATOM 0 HD3 LYS A 71 -1.954 11.509 -9.090 1.00297.71 H new ATOM 0 HE2 LYS A 71 -1.243 10.837 -6.856 1.00468.76 H new ATOM 0 HE3 LYS A 71 -2.212 9.564 -7.570 1.00468.76 H new ATOM 0 HZ1 LYS A 71 0.250 9.255 -6.479 1.00709.01 H new ATOM 0 HZ2 LYS A 71 -0.510 8.149 -7.520 1.00709.01 H new ATOM 0 HZ3 LYS A 71 0.594 9.280 -8.141 1.00709.01 H new ATOM 1244 N LYS A 72 -0.503 10.955 -14.481 1.00147.67 N ATOM 1245 CA LYS A 72 -0.615 11.767 -15.688 1.00167.79 C ATOM 1246 C LYS A 72 -0.948 10.910 -16.908 1.00155.98 C ATOM 1247 O LYS A 72 -1.785 11.286 -17.728 1.00185.51 O ATOM 1248 CB LYS A 72 0.687 12.534 -15.935 1.00170.64 C ATOM 1249 CG LYS A 72 0.953 13.629 -14.911 1.00316.84 C ATOM 1250 CD LYS A 72 2.255 14.357 -15.200 1.00381.24 C ATOM 1251 CE LYS A 72 2.514 15.456 -14.183 1.00594.12 C ATOM 1252 NZ LYS A 72 3.791 16.173 -14.451 1.00931.14 N1+ ATOM 0 H LYS A 72 0.439 10.903 -14.093 1.00147.67 H new ATOM 0 HA LYS A 72 -1.429 12.475 -15.536 1.00167.79 H new ATOM 0 HB2 LYS A 72 1.520 11.831 -15.928 1.00170.64 H new ATOM 0 HB3 LYS A 72 0.654 12.979 -16.930 1.00170.64 H new ATOM 0 HG2 LYS A 72 0.128 14.341 -14.916 1.00316.84 H new ATOM 0 HG3 LYS A 72 0.992 13.193 -13.913 1.00316.84 H new ATOM 0 HD2 LYS A 72 3.081 13.646 -15.188 1.00381.24 H new ATOM 0 HD3 LYS A 72 2.219 14.787 -16.201 1.00381.24 H new ATOM 0 HE2 LYS A 72 1.688 16.167 -14.199 1.00594.12 H new ATOM 0 HE3 LYS A 72 2.543 15.025 -13.182 1.00594.12 H new ATOM 0 HZ1 LYS A 72 3.930 16.914 -13.735 1.00931.14 H new ATOM 0 HZ2 LYS A 72 4.582 15.500 -14.410 1.00931.14 H new ATOM 0 HZ3 LYS A 72 3.754 16.607 -15.396 1.00931.14 H new ATOM 1266 N ILE A 73 -0.292 9.754 -17.015 1.00124.40 N ATOM 1267 CA ILE A 73 -0.516 8.842 -18.137 1.00120.21 C ATOM 1268 C ILE A 73 -1.949 8.308 -18.137 1.00146.29 C ATOM 1269 O ILE A 73 -2.622 8.307 -19.170 1.00164.56 O ATOM 1270 CB ILE A 73 0.481 7.657 -18.108 1.00101.39 C ATOM 1271 CG1 ILE A 73 1.903 8.158 -18.368 1.00 92.06 C ATOM 1272 CG2 ILE A 73 0.100 6.598 -19.139 1.00111.59 C ATOM 1273 CD1 ILE A 73 2.970 7.120 -18.098 1.00175.26 C ATOM 0 H ILE A 73 0.398 9.427 -16.339 1.00124.40 H new ATOM 0 HA ILE A 73 -0.353 9.413 -19.051 1.00120.21 H new ATOM 0 HB ILE A 73 0.440 7.201 -17.119 1.00101.39 H new ATOM 0 HG12 ILE A 73 1.980 8.485 -19.405 1.00 92.06 H new ATOM 0 HG13 ILE A 73 2.091 9.031 -17.744 1.00 92.06 H new ATOM 0 HG21 ILE A 73 0.816 5.777 -19.099 1.00111.59 H new ATOM 0 HG22 ILE A 73 -0.899 6.220 -18.920 1.00111.59 H new ATOM 0 HG23 ILE A 73 0.111 7.040 -20.135 1.00111.59 H new ATOM 0 HD11 ILE A 73 3.952 7.546 -18.304 1.00175.26 H new ATOM 0 HD12 ILE A 73 2.920 6.810 -17.054 1.00175.26 H new ATOM 0 HD13 ILE A 73 2.807 6.255 -18.741 1.00175.26 H new ATOM 1285 N ASP A 74 -2.410 7.863 -16.969 1.00158.55 N ATOM 1286 CA ASP A 74 -3.761 7.317 -16.834 1.00202.00 C ATOM 1287 C ASP A 74 -4.821 8.369 -17.142 1.00242.74 C ATOM 1288 O ASP A 74 -5.800 8.084 -17.831 1.00281.70 O ATOM 1289 CB ASP A 74 -3.980 6.758 -15.427 1.00220.79 C ATOM 1290 CG ASP A 74 -5.322 6.067 -15.285 1.00329.98 C ATOM 1291 OD1 ASP A 74 -5.529 5.032 -15.952 1.00443.19 O ATOM 1292 OD2 ASP A 74 -6.163 6.561 -14.505 1.00427.10 O1- ATOM 0 H ASP A 74 -1.870 7.869 -16.104 1.00158.55 H new ATOM 0 HA ASP A 74 -3.859 6.509 -17.559 1.00202.00 H new ATOM 0 HB2 ASP A 74 -3.184 6.052 -15.191 1.00220.79 H new ATOM 0 HB3 ASP A 74 -3.913 7.569 -14.702 1.00220.79 H new ATOM 1297 N ALA A 75 -4.627 9.579 -16.618 1.00246.88 N ATOM 1298 CA ALA A 75 -5.575 10.668 -16.838 1.00303.14 C ATOM 1299 C ALA A 75 -5.665 11.055 -18.315 1.00309.74 C ATOM 1300 O ALA A 75 -6.753 11.330 -18.822 1.00366.44 O ATOM 1301 CB ALA A 75 -5.192 11.872 -15.994 1.00317.77 C ATOM 0 H ALA A 75 -3.824 9.828 -16.040 1.00246.88 H new ATOM 0 HA ALA A 75 -6.561 10.317 -16.534 1.00303.14 H new ATOM 0 HB1 ALA A 75 -5.905 12.678 -16.166 1.00317.77 H new ATOM 0 HB2 ALA A 75 -5.203 11.596 -14.940 1.00317.77 H new ATOM 0 HB3 ALA A 75 -4.192 12.207 -16.271 1.00317.77 H new ATOM 1307 N LEU A 76 -4.520 11.092 -18.998 1.00262.22 N ATOM 1308 CA LEU A 76 -4.493 11.434 -20.419 1.00269.91 C ATOM 1309 C LEU A 76 -5.106 10.323 -21.268 1.00268.22 C ATOM 1310 O LEU A 76 -5.842 10.586 -22.220 1.00302.70 O ATOM 1311 CB LEU A 76 -3.057 11.706 -20.881 1.00232.17 C ATOM 1312 CG LEU A 76 -2.423 12.986 -20.325 1.00295.01 C ATOM 1313 CD1 LEU A 76 -0.943 13.038 -20.667 1.00354.50 C ATOM 1314 CD2 LEU A 76 -3.139 14.217 -20.861 1.00386.93 C ATOM 0 H LEU A 76 -3.606 10.891 -18.593 1.00262.22 H new ATOM 0 HA LEU A 76 -5.088 12.337 -20.551 1.00269.91 H new ATOM 0 HB2 LEU A 76 -2.434 10.858 -20.596 1.00232.17 H new ATOM 0 HB3 LEU A 76 -3.046 11.758 -21.970 1.00232.17 H new ATOM 0 HG LEU A 76 -2.526 12.977 -19.240 1.00295.01 H new ATOM 0 HD11 LEU A 76 -0.509 13.953 -20.265 1.00354.50 H new ATOM 0 HD12 LEU A 76 -0.439 12.175 -20.232 1.00354.50 H new ATOM 0 HD13 LEU A 76 -0.819 13.023 -21.750 1.00354.50 H new ATOM 0 HD21 LEU A 76 -2.673 15.115 -20.454 1.00386.93 H new ATOM 0 HD22 LEU A 76 -3.070 14.233 -21.949 1.00386.93 H new ATOM 0 HD23 LEU A 76 -4.187 14.186 -20.565 1.00386.93 H new ATOM 1326 N GLY A 77 -4.789 9.078 -20.919 1.00237.46 N ATOM 1327 CA GLY A 77 -5.316 7.932 -21.645 1.00244.67 C ATOM 1328 C GLY A 77 -4.444 7.530 -22.823 1.00214.25 C ATOM 1329 O GLY A 77 -4.642 6.470 -23.416 1.00215.50 O ATOM 0 H GLY A 77 -4.173 8.841 -20.142 1.00237.46 H new ATOM 0 HA2 GLY A 77 -5.409 7.087 -20.963 1.00244.67 H new ATOM 0 HA3 GLY A 77 -6.319 8.165 -22.004 1.00244.67 H new ATOM 1333 N ARG A 78 -3.477 8.382 -23.156 1.00197.65 N ATOM 1334 CA ARG A 78 -2.565 8.127 -24.270 1.00177.49 C ATOM 1335 C ARG A 78 -1.525 7.071 -23.906 1.00145.33 C ATOM 1336 O ARG A 78 -1.135 6.947 -22.743 1.00130.99 O ATOM 1337 CB ARG A 78 -1.858 9.421 -24.693 1.00186.05 C ATOM 1338 CG ARG A 78 -2.635 10.247 -25.710 1.00259.99 C ATOM 1339 CD ARG A 78 -3.871 10.884 -25.095 1.00444.33 C ATOM 1340 NE ARG A 78 -4.475 11.877 -25.978 1.00529.49 N ATOM 1341 CZ ARG A 78 -5.616 12.506 -25.709 1.00845.06 C ATOM 1342 NH1 ARG A 78 -6.275 12.240 -24.587 1.00999.99 N1+ ATOM 1343 NH2 ARG A 78 -6.098 13.399 -26.563 1.00999.99 N ATOM 0 H ARG A 78 -3.304 9.260 -22.667 1.00197.65 H new ATOM 0 HA ARG A 78 -3.161 7.752 -25.102 1.00177.49 H new ATOM 0 HB2 ARG A 78 -1.677 10.030 -23.807 1.00186.05 H new ATOM 0 HB3 ARG A 78 -0.884 9.170 -25.112 1.00186.05 H new ATOM 0 HG2 ARG A 78 -1.989 11.025 -26.116 1.00259.99 H new ATOM 0 HG3 ARG A 78 -2.931 9.611 -26.545 1.00259.99 H new ATOM 0 HD2 ARG A 78 -4.603 10.109 -24.868 1.00444.33 H new ATOM 0 HD3 ARG A 78 -3.603 11.356 -24.150 1.00444.33 H new ATOM 0 HE ARG A 78 -3.996 12.101 -26.850 1.00529.49 H new ATOM 0 HH11 ARG A 78 -5.906 11.552 -23.930 1.00999.99 H new ATOM 0 HH12 ARG A 78 -7.150 12.723 -24.382 1.00999.99 H new ATOM 0 HH21 ARG A 78 -5.594 13.603 -27.426 1.00999.99 H new ATOM 0 HH22 ARG A 78 -6.973 13.881 -26.357 1.00999.99 H new ATOM 1357 N THR A 79 -1.081 6.310 -24.903 1.00147.30 N ATOM 1358 CA THR A 79 -0.076 5.278 -24.681 1.00129.07 C ATOM 1359 C THR A 79 1.293 5.907 -24.428 1.00107.84 C ATOM 1360 O THR A 79 1.670 6.871 -25.098 1.00121.55 O ATOM 1361 CB THR A 79 0.025 4.332 -25.895 1.00153.24 C ATOM 1362 OG1 THR A 79 0.390 5.074 -27.064 1.00174.15 O ATOM 1363 CG2 THR A 79 -1.294 3.615 -26.141 1.00263.29 C ATOM 0 H THR A 79 -1.401 6.389 -25.868 1.00147.30 H new ATOM 0 HA THR A 79 -0.384 4.705 -23.806 1.00129.07 H new ATOM 0 HB THR A 79 0.790 3.586 -25.679 1.00153.24 H new ATOM 0 HG1 THR A 79 0.454 4.467 -27.830 1.00174.15 H new ATOM 0 HG21 THR A 79 -1.194 2.955 -27.003 1.00263.29 H new ATOM 0 HG22 THR A 79 -1.558 3.027 -25.262 1.00263.29 H new ATOM 0 HG23 THR A 79 -2.076 4.349 -26.335 1.00263.29 H new ATOM 1371 N PRO A 80 2.059 5.372 -23.461 1.00105.89 N ATOM 1372 CA PRO A 80 3.393 5.891 -23.141 1.00 99.27 C ATOM 1373 C PRO A 80 4.438 5.521 -24.191 1.00 71.39 C ATOM 1374 O PRO A 80 4.472 4.392 -24.679 1.00 73.88 O ATOM 1375 CB PRO A 80 3.712 5.224 -21.802 1.00135.47 C ATOM 1376 CG PRO A 80 2.941 3.948 -21.824 1.00173.89 C ATOM 1377 CD PRO A 80 1.682 4.236 -22.596 1.00146.19 C ATOM 0 HA PRO A 80 3.410 6.980 -23.109 1.00 99.27 H new ATOM 0 HB2 PRO A 80 4.781 5.039 -21.696 1.00135.47 H new ATOM 0 HB3 PRO A 80 3.413 5.854 -20.964 1.00135.47 H new ATOM 0 HG2 PRO A 80 3.516 3.153 -22.299 1.00173.89 H new ATOM 0 HG3 PRO A 80 2.710 3.614 -20.812 1.00173.89 H new ATOM 0 HD2 PRO A 80 1.365 3.374 -23.182 1.00146.19 H new ATOM 0 HD3 PRO A 80 0.855 4.493 -21.934 1.00146.19 H new ATOM 1385 N VAL A 81 5.282 6.484 -24.546 1.00 74.50 N ATOM 1386 CA VAL A 81 6.336 6.248 -25.523 1.00 73.51 C ATOM 1387 C VAL A 81 7.701 6.117 -24.845 1.00 58.31 C ATOM 1388 O VAL A 81 7.914 6.646 -23.751 1.00 53.72 O ATOM 1389 CB VAL A 81 6.385 7.359 -26.597 1.00118.66 C ATOM 1390 CG1 VAL A 81 5.179 7.259 -27.517 1.00201.66 C ATOM 1391 CG2 VAL A 81 6.449 8.736 -25.955 1.00126.19 C ATOM 0 H VAL A 81 5.256 7.433 -24.172 1.00 74.50 H new ATOM 0 HA VAL A 81 6.099 5.307 -26.019 1.00 73.51 H new ATOM 0 HB VAL A 81 7.290 7.219 -27.188 1.00118.66 H new ATOM 0 HG11 VAL A 81 5.228 8.048 -28.268 1.00201.66 H new ATOM 0 HG12 VAL A 81 5.178 6.287 -28.011 1.00201.66 H new ATOM 0 HG13 VAL A 81 4.266 7.370 -26.933 1.00201.66 H new ATOM 0 HG21 VAL A 81 6.483 9.499 -26.733 1.00126.19 H new ATOM 0 HG22 VAL A 81 5.566 8.889 -25.334 1.00126.19 H new ATOM 0 HG23 VAL A 81 7.344 8.808 -25.337 1.00126.19 H new ATOM 1401 N VAL A 82 8.622 5.418 -25.508 1.00 61.16 N ATOM 1402 CA VAL A 82 9.970 5.212 -24.976 1.00 54.41 C ATOM 1403 C VAL A 82 10.719 6.539 -24.840 1.00 57.95 C ATOM 1404 O VAL A 82 11.416 6.763 -23.851 1.00 54.39 O ATOM 1405 CB VAL A 82 10.791 4.233 -25.851 1.00 69.04 C ATOM 1406 CG1 VAL A 82 12.245 4.169 -25.395 1.00 67.92 C ATOM 1407 CG2 VAL A 82 10.172 2.846 -25.819 1.00 81.09 C ATOM 0 H VAL A 82 8.459 4.984 -26.416 1.00 61.16 H new ATOM 0 HA VAL A 82 9.854 4.769 -23.987 1.00 54.41 H new ATOM 0 HB VAL A 82 10.773 4.606 -26.875 1.00 69.04 H new ATOM 0 HG11 VAL A 82 12.795 3.473 -26.029 1.00 67.92 H new ATOM 0 HG12 VAL A 82 12.694 5.160 -25.469 1.00 67.92 H new ATOM 0 HG13 VAL A 82 12.287 3.828 -24.361 1.00 67.92 H new ATOM 0 HG21 VAL A 82 10.761 2.170 -26.439 1.00 81.09 H new ATOM 0 HG22 VAL A 82 10.158 2.478 -24.793 1.00 81.09 H new ATOM 0 HG23 VAL A 82 9.153 2.894 -26.202 1.00 81.09 H new ATOM 1417 N GLY A 83 10.563 7.420 -25.833 1.00 75.64 N ATOM 1418 CA GLY A 83 11.246 8.708 -25.801 1.00 94.40 C ATOM 1419 C GLY A 83 10.872 9.537 -24.585 1.00 94.83 C ATOM 1420 O GLY A 83 11.737 10.147 -23.957 1.00106.63 O ATOM 0 H GLY A 83 9.979 7.265 -26.655 1.00 75.64 H new ATOM 0 HA2 GLY A 83 12.324 8.544 -25.807 1.00 94.40 H new ATOM 0 HA3 GLY A 83 11.004 9.266 -26.705 1.00 94.40 H new ATOM 1424 N ASP A 84 9.584 9.558 -24.247 1.00 92.18 N ATOM 1425 CA ASP A 84 9.117 10.295 -23.075 1.00102.40 C ATOM 1426 C ASP A 84 9.708 9.683 -21.811 1.00 86.66 C ATOM 1427 O ASP A 84 10.120 10.391 -20.894 1.00 97.33 O ATOM 1428 CB ASP A 84 7.589 10.287 -22.990 1.00115.37 C ATOM 1429 CG ASP A 84 7.067 11.140 -21.850 1.00251.00 C ATOM 1430 OD1 ASP A 84 7.245 12.376 -21.901 1.00343.77 O ATOM 1431 OD2 ASP A 84 6.475 10.571 -20.908 1.00397.23 O1- ATOM 0 H ASP A 84 8.849 9.076 -24.765 1.00 92.18 H new ATOM 0 HA ASP A 84 9.447 11.329 -23.169 1.00102.40 H new ATOM 0 HB2 ASP A 84 7.174 10.649 -23.930 1.00115.37 H new ATOM 0 HB3 ASP A 84 7.241 9.262 -22.862 1.00115.37 H new ATOM 1436 N TYR A 85 9.740 8.352 -21.784 1.00 69.93 N ATOM 1437 CA TYR A 85 10.282 7.609 -20.653 1.00 64.74 C ATOM 1438 C TYR A 85 11.768 7.898 -20.460 1.00 62.43 C ATOM 1439 O TYR A 85 12.228 8.081 -19.331 1.00 66.14 O ATOM 1440 CB TYR A 85 10.063 6.107 -20.854 1.00 61.79 C ATOM 1441 CG TYR A 85 8.742 5.592 -20.318 1.00 59.01 C ATOM 1442 CD1 TYR A 85 7.713 6.462 -19.970 1.00112.09 C ATOM 1443 CD2 TYR A 85 8.531 4.230 -20.148 1.00109.27 C ATOM 1444 CE1 TYR A 85 6.516 5.986 -19.472 1.00147.96 C ATOM 1445 CE2 TYR A 85 7.336 3.749 -19.650 1.00132.22 C ATOM 1446 CZ TYR A 85 6.333 4.630 -19.313 1.00117.15 C ATOM 1447 OH TYR A 85 5.142 4.152 -18.815 1.00176.41 O ATOM 0 H TYR A 85 9.393 7.763 -22.541 1.00 69.93 H new ATOM 0 HA TYR A 85 9.755 7.933 -19.756 1.00 64.74 H new ATOM 0 HB2 TYR A 85 10.122 5.882 -21.919 1.00 61.79 H new ATOM 0 HB3 TYR A 85 10.875 5.565 -20.369 1.00 61.79 H new ATOM 0 HD1 TYR A 85 7.853 7.526 -20.091 1.00112.09 H new ATOM 0 HD2 TYR A 85 9.315 3.535 -20.410 1.00109.27 H new ATOM 0 HE1 TYR A 85 5.727 6.674 -19.208 1.00147.96 H new ATOM 0 HE2 TYR A 85 7.189 2.686 -19.525 1.00132.22 H new ATOM 0 HH TYR A 85 5.177 3.174 -18.767 1.00176.41 H new ATOM 1457 N THR A 86 12.523 7.948 -21.559 1.00 61.53 N ATOM 1458 CA THR A 86 13.952 8.228 -21.474 1.00 68.56 C ATOM 1459 C THR A 86 14.200 9.661 -21.016 1.00 71.75 C ATOM 1460 O THR A 86 15.146 9.927 -20.274 1.00 78.21 O ATOM 1461 CB THR A 86 14.677 7.973 -22.816 1.00 77.74 C ATOM 1462 OG1 THR A 86 14.105 8.767 -23.864 1.00165.16 O ATOM 1463 CG2 THR A 86 14.608 6.503 -23.200 1.00224.32 C ATOM 0 H THR A 86 12.172 7.800 -22.505 1.00 61.53 H new ATOM 0 HA THR A 86 14.363 7.540 -20.735 1.00 68.56 H new ATOM 0 HB THR A 86 15.721 8.256 -22.684 1.00 77.74 H new ATOM 0 HG1 THR A 86 13.255 9.148 -23.559 1.00165.16 H new ATOM 0 HG21 THR A 86 15.125 6.350 -24.147 1.00224.32 H new ATOM 0 HG22 THR A 86 15.084 5.902 -22.425 1.00224.32 H new ATOM 0 HG23 THR A 86 13.565 6.202 -23.303 1.00224.32 H new ATOM 1471 N ARG A 87 13.342 10.582 -21.460 1.00 72.61 N ATOM 1472 CA ARG A 87 13.451 11.983 -21.068 1.00 82.36 C ATOM 1473 C ARG A 87 13.258 12.120 -19.560 1.00 77.36 C ATOM 1474 O ARG A 87 14.022 12.811 -18.882 1.00 84.58 O ATOM 1475 CB ARG A 87 12.411 12.826 -21.814 1.00 92.09 C ATOM 1476 CG ARG A 87 12.481 14.312 -21.499 1.00178.45 C ATOM 1477 CD ARG A 87 11.415 15.092 -22.254 1.00290.74 C ATOM 1478 NE ARG A 87 10.064 14.710 -21.848 1.00442.12 N ATOM 1479 CZ ARG A 87 9.450 15.181 -20.765 1.00719.49 C ATOM 1480 NH1 ARG A 87 10.057 16.068 -19.984 1.00915.94 N1+ ATOM 1481 NH2 ARG A 87 8.227 14.764 -20.463 1.00999.99 N ATOM 0 H ARG A 87 12.566 10.380 -22.090 1.00 72.61 H new ATOM 0 HA ARG A 87 14.445 12.345 -21.331 1.00 82.36 H new ATOM 0 HB2 ARG A 87 12.545 12.685 -22.886 1.00 92.09 H new ATOM 0 HB3 ARG A 87 11.415 12.459 -21.567 1.00 92.09 H new ATOM 0 HG2 ARG A 87 12.354 14.464 -20.427 1.00178.45 H new ATOM 0 HG3 ARG A 87 13.467 14.695 -21.761 1.00178.45 H new ATOM 0 HD2 ARG A 87 11.557 16.159 -22.082 1.00290.74 H new ATOM 0 HD3 ARG A 87 11.533 14.923 -23.324 1.00290.74 H new ATOM 0 HE ARG A 87 9.560 14.041 -22.431 1.00442.12 H new ATOM 0 HH11 ARG A 87 10.997 16.391 -20.213 1.00915.94 H new ATOM 0 HH12 ARG A 87 9.583 16.426 -19.155 1.00915.94 H new ATOM 0 HH21 ARG A 87 7.758 14.083 -21.061 1.00999.99 H new ATOM 0 HH22 ARG A 87 7.756 15.124 -19.633 1.00999.99 H new ATOM 1495 N LEU A 88 12.223 11.453 -19.045 1.00 69.60 N ATOM 1496 CA LEU A 88 11.924 11.475 -17.616 1.00 69.42 C ATOM 1497 C LEU A 88 13.038 10.802 -16.819 1.00 63.28 C ATOM 1498 O LEU A 88 13.437 11.290 -15.762 1.00 65.18 O ATOM 1499 CB LEU A 88 10.593 10.773 -17.338 1.00 73.41 C ATOM 1500 CG LEU A 88 9.348 11.509 -17.842 1.00 98.67 C ATOM 1501 CD1 LEU A 88 8.119 10.621 -17.724 1.00158.17 C ATOM 1502 CD2 LEU A 88 9.143 12.806 -17.072 1.00124.36 C ATOM 0 H LEU A 88 11.578 10.890 -19.600 1.00 69.60 H new ATOM 0 HA LEU A 88 11.850 12.517 -17.303 1.00 69.42 H new ATOM 0 HB2 LEU A 88 10.620 9.784 -17.795 1.00 73.41 H new ATOM 0 HB3 LEU A 88 10.497 10.625 -16.262 1.00 73.41 H new ATOM 0 HG LEU A 88 9.498 11.754 -18.894 1.00 98.67 H new ATOM 0 HD11 LEU A 88 7.244 11.161 -18.087 1.00158.17 H new ATOM 0 HD12 LEU A 88 8.263 9.720 -18.320 1.00158.17 H new ATOM 0 HD13 LEU A 88 7.968 10.345 -16.680 1.00158.17 H new ATOM 0 HD21 LEU A 88 8.254 13.314 -17.445 1.00124.36 H new ATOM 0 HD22 LEU A 88 9.017 12.584 -16.012 1.00124.36 H new ATOM 0 HD23 LEU A 88 10.012 13.450 -17.206 1.00124.36 H new ATOM 1514 N GLY A 89 13.541 9.683 -17.347 1.00 60.76 N ATOM 1515 CA GLY A 89 14.610 8.954 -16.685 1.00 61.97 C ATOM 1516 C GLY A 89 15.876 9.776 -16.556 1.00 64.68 C ATOM 1517 O GLY A 89 16.543 9.740 -15.521 1.00 65.71 O ATOM 0 H GLY A 89 13.224 9.270 -18.224 1.00 60.76 H new ATOM 0 HA2 GLY A 89 14.277 8.647 -15.694 1.00 61.97 H new ATOM 0 HA3 GLY A 89 14.826 8.044 -17.245 1.00 61.97 H new ATOM 1521 N ALA A 90 16.206 10.515 -17.614 1.00 70.37 N ATOM 1522 CA ALA A 90 17.390 11.367 -17.622 1.00 80.19 C ATOM 1523 C ALA A 90 17.290 12.450 -16.552 1.00 77.58 C ATOM 1524 O ALA A 90 18.275 12.763 -15.883 1.00 81.65 O ATOM 1525 CB ALA A 90 17.582 11.994 -18.996 1.00 95.38 C ATOM 0 H ALA A 90 15.666 10.539 -18.479 1.00 70.37 H new ATOM 0 HA ALA A 90 18.257 10.746 -17.396 1.00 80.19 H new ATOM 0 HB1 ALA A 90 18.469 12.627 -18.986 1.00 95.38 H new ATOM 0 HB2 ALA A 90 17.705 11.208 -19.741 1.00 95.38 H new ATOM 0 HB3 ALA A 90 16.709 12.597 -19.246 1.00 95.38 H new ATOM 1531 N GLU A 91 16.091 13.015 -16.395 1.00 75.77 N ATOM 1532 CA GLU A 91 15.857 14.061 -15.402 1.00 80.24 C ATOM 1533 C GLU A 91 15.992 13.496 -13.989 1.00 71.29 C ATOM 1534 O GLU A 91 16.553 14.137 -13.099 1.00 75.09 O ATOM 1535 CB GLU A 91 14.463 14.664 -15.595 1.00 90.01 C ATOM 1536 CG GLU A 91 14.326 15.493 -16.865 1.00140.26 C ATOM 1537 CD GLU A 91 12.894 15.904 -17.146 1.00229.56 C ATOM 1538 OE1 GLU A 91 11.976 15.336 -16.519 1.00365.35 O ATOM 1539 OE2 GLU A 91 12.689 16.796 -17.997 1.00381.14 O1- ATOM 0 H GLU A 91 15.268 12.765 -16.944 1.00 75.77 H new ATOM 0 HA GLU A 91 16.605 14.843 -15.537 1.00 80.24 H new ATOM 0 HB2 GLU A 91 13.728 13.859 -15.616 1.00 90.01 H new ATOM 0 HB3 GLU A 91 14.225 15.290 -14.735 1.00 90.01 H new ATOM 0 HG2 GLU A 91 14.945 16.386 -16.779 1.00140.26 H new ATOM 0 HG3 GLU A 91 14.707 14.920 -17.710 1.00140.26 H new ATOM 1546 N ILE A 92 15.463 12.289 -13.800 1.00 64.55 N ATOM 1547 CA ILE A 92 15.519 11.596 -12.514 1.00 63.22 C ATOM 1548 C ILE A 92 16.963 11.263 -12.132 1.00 60.78 C ATOM 1549 O ILE A 92 17.364 11.418 -10.976 1.00 63.24 O ATOM 1550 CB ILE A 92 14.662 10.307 -12.549 1.00 67.09 C ATOM 1551 CG1 ILE A 92 13.179 10.670 -12.639 1.00 78.70 C ATOM 1552 CG2 ILE A 92 14.922 9.433 -11.327 1.00 74.04 C ATOM 1553 CD1 ILE A 92 12.281 9.495 -12.961 1.00182.12 C ATOM 0 H ILE A 92 14.984 11.764 -14.532 1.00 64.55 H new ATOM 0 HA ILE A 92 15.111 12.265 -11.756 1.00 63.22 H new ATOM 0 HB ILE A 92 14.945 9.734 -13.432 1.00 67.09 H new ATOM 0 HG12 ILE A 92 12.864 11.108 -11.692 1.00 78.70 H new ATOM 0 HG13 ILE A 92 13.048 11.436 -13.403 1.00 78.70 H new ATOM 0 HG21 ILE A 92 14.305 8.536 -11.383 1.00 74.04 H new ATOM 0 HG22 ILE A 92 15.974 9.148 -11.301 1.00 74.04 H new ATOM 0 HG23 ILE A 92 14.674 9.989 -10.423 1.00 74.04 H new ATOM 0 HD11 ILE A 92 11.245 9.831 -13.008 1.00182.12 H new ATOM 0 HD12 ILE A 92 12.569 9.070 -13.923 1.00182.12 H new ATOM 0 HD13 ILE A 92 12.382 8.737 -12.185 1.00182.12 H new ATOM 1565 N GLY A 93 17.740 10.819 -13.119 1.00 61.35 N ATOM 1566 CA GLY A 93 19.130 10.453 -12.889 1.00 68.83 C ATOM 1567 C GLY A 93 20.020 11.631 -12.527 1.00 77.90 C ATOM 1568 O GLY A 93 21.159 11.440 -12.107 1.00 88.80 O ATOM 0 H GLY A 93 17.428 10.705 -14.083 1.00 61.35 H new ATOM 0 HA2 GLY A 93 19.175 9.716 -12.088 1.00 68.83 H new ATOM 0 HA3 GLY A 93 19.523 9.974 -13.785 1.00 68.83 H new ATOM 1572 N ARG A 94 19.511 12.849 -12.696 1.00 81.77 N ATOM 1573 CA ARG A 94 20.282 14.048 -12.370 1.00 96.44 C ATOM 1574 C ARG A 94 20.254 14.333 -10.869 1.00 95.13 C ATOM 1575 O ARG A 94 21.005 15.175 -10.377 1.00109.35 O ATOM 1576 CB ARG A 94 19.740 15.258 -13.136 1.00113.12 C ATOM 1577 CG ARG A 94 19.935 15.172 -14.641 1.00154.95 C ATOM 1578 CD ARG A 94 19.326 16.371 -15.354 1.00291.47 C ATOM 1579 NE ARG A 94 19.990 17.624 -14.993 1.00415.93 N ATOM 1580 CZ ARG A 94 21.115 18.058 -15.556 1.00711.23 C ATOM 1581 NH1 ARG A 94 21.695 17.353 -16.521 1.00998.79 N1+ ATOM 1582 NH2 ARG A 94 21.656 19.202 -15.158 1.00999.99 N ATOM 0 H ARG A 94 18.574 13.032 -13.055 1.00 81.77 H new ATOM 0 HA ARG A 94 21.315 13.868 -12.668 1.00 96.44 H new ATOM 0 HB2 ARG A 94 18.676 15.364 -12.923 1.00113.12 H new ATOM 0 HB3 ARG A 94 20.230 16.159 -12.767 1.00113.12 H new ATOM 0 HG2 ARG A 94 21.000 15.115 -14.868 1.00154.95 H new ATOM 0 HG3 ARG A 94 19.480 14.255 -15.016 1.00154.95 H new ATOM 0 HD2 ARG A 94 19.393 16.223 -16.432 1.00291.47 H new ATOM 0 HD3 ARG A 94 18.266 16.439 -15.107 1.00291.47 H new ATOM 0 HE ARG A 94 19.565 18.199 -14.266 1.00415.93 H new ATOM 0 HH11 ARG A 94 21.278 16.476 -16.833 1.00998.79 H new ATOM 0 HH12 ARG A 94 22.557 17.689 -16.950 1.00998.79 H new ATOM 0 HH21 ARG A 94 21.210 19.748 -14.421 1.00999.99 H new ATOM 0 HH22 ARG A 94 22.518 19.536 -15.589 1.00999.99 H new ATOM 1596 N ARG A 95 19.389 13.628 -10.146 1.00 86.45 N ATOM 1597 CA ARG A 95 19.272 13.817 -8.703 1.00 93.68 C ATOM 1598 C ARG A 95 19.849 12.622 -7.948 1.00 94.67 C ATOM 1599 O ARG A 95 19.509 11.473 -8.228 1.00 97.42 O ATOM 1600 CB ARG A 95 17.806 14.017 -8.307 1.00107.44 C ATOM 1601 CG ARG A 95 17.155 15.237 -8.948 1.00307.61 C ATOM 1602 CD ARG A 95 17.762 16.533 -8.433 1.00350.05 C ATOM 1603 NE ARG A 95 17.083 17.710 -8.973 1.00605.90 N ATOM 1604 CZ ARG A 95 15.991 18.250 -8.434 1.00806.78 C ATOM 1605 NH1 ARG A 95 15.456 17.724 -7.340 1.00845.08 N1+ ATOM 1606 NH2 ARG A 95 15.439 19.319 -8.991 1.00999.99 N ATOM 0 H ARG A 95 18.761 12.923 -10.533 1.00 86.45 H new ATOM 0 HA ARG A 95 19.841 14.707 -8.435 1.00 93.68 H new ATOM 0 HB2 ARG A 95 17.240 13.128 -8.584 1.00107.44 H new ATOM 0 HB3 ARG A 95 17.742 14.110 -7.223 1.00107.44 H new ATOM 0 HG2 ARG A 95 17.272 15.185 -10.031 1.00307.61 H new ATOM 0 HG3 ARG A 95 16.085 15.229 -8.742 1.00307.61 H new ATOM 0 HD2 ARG A 95 17.708 16.551 -7.345 1.00350.05 H new ATOM 0 HD3 ARG A 95 18.818 16.570 -8.700 1.00350.05 H new ATOM 0 HE ARG A 95 17.468 18.143 -9.812 1.00605.90 H new ATOM 0 HH11 ARG A 95 15.881 16.903 -6.908 1.00845.08 H new ATOM 0 HH12 ARG A 95 14.620 18.140 -6.930 1.00845.08 H new ATOM 0 HH21 ARG A 95 15.850 19.726 -9.831 1.00999.99 H new ATOM 0 HH22 ARG A 95 14.603 19.734 -8.580 1.00999.99 H new ATOM 1620 N ILE A 96 20.725 12.901 -6.987 1.00103.97 N ATOM 1621 CA ILE A 96 21.343 11.850 -6.186 1.00120.62 C ATOM 1622 C ILE A 96 21.248 12.168 -4.693 1.00135.23 C ATOM 1623 O ILE A 96 20.410 11.606 -3.990 1.00215.76 O ATOM 1624 CB ILE A 96 22.823 11.616 -6.575 1.00134.64 C ATOM 1625 CG1 ILE A 96 23.435 12.877 -7.201 1.00237.82 C ATOM 1626 CG2 ILE A 96 22.933 10.438 -7.533 1.00205.25 C ATOM 1627 CD1 ILE A 96 24.949 12.880 -7.202 1.00308.67 C ATOM 0 H ILE A 96 21.023 13.846 -6.744 1.00103.97 H new ATOM 0 HA ILE A 96 20.789 10.934 -6.393 1.00120.62 H new ATOM 0 HB ILE A 96 23.383 11.387 -5.668 1.00134.64 H new ATOM 0 HG12 ILE A 96 23.079 12.972 -8.227 1.00237.82 H new ATOM 0 HG13 ILE A 96 23.079 13.752 -6.657 1.00237.82 H new ATOM 0 HG21 ILE A 96 23.978 10.283 -7.800 1.00205.25 H new ATOM 0 HG22 ILE A 96 22.544 9.540 -7.052 1.00205.25 H new ATOM 0 HG23 ILE A 96 22.356 10.646 -8.434 1.00205.25 H new ATOM 0 HD11 ILE A 96 25.311 13.801 -7.659 1.00308.67 H new ATOM 0 HD12 ILE A 96 25.314 12.816 -6.177 1.00308.67 H new ATOM 0 HD13 ILE A 96 25.314 12.025 -7.771 1.00308.67 H new ATOM 1639 N ASP A 97 22.104 13.084 -4.225 1.00125.34 N ATOM 1640 CA ASP A 97 22.129 13.500 -2.815 1.00140.49 C ATOM 1641 C ASP A 97 22.319 12.304 -1.876 1.00116.54 C ATOM 1642 O ASP A 97 21.592 12.146 -0.896 1.00143.24 O ATOM 1643 CB ASP A 97 20.842 14.254 -2.456 1.00195.56 C ATOM 1644 CG ASP A 97 20.999 15.108 -1.214 1.00284.16 C ATOM 1645 OD1 ASP A 97 22.153 15.401 -0.835 1.00384.26 O ATOM 1646 OD2 ASP A 97 19.967 15.489 -0.623 1.00388.05 O1- ATOM 0 H ASP A 97 22.795 13.556 -4.808 1.00125.34 H new ATOM 0 HA ASP A 97 22.982 14.166 -2.684 1.00140.49 H new ATOM 0 HB2 ASP A 97 20.549 14.887 -3.294 1.00195.56 H new ATOM 0 HB3 ASP A 97 20.036 13.537 -2.301 1.00195.56 H new ATOM 1651 N MET A 98 23.311 11.468 -2.180 1.00 92.56 N ATOM 1652 CA MET A 98 23.596 10.284 -1.370 1.00 86.33 C ATOM 1653 C MET A 98 24.529 10.613 -0.204 1.00 94.07 C ATOM 1654 O MET A 98 24.845 9.745 0.613 1.00108.97 O ATOM 1655 CB MET A 98 24.216 9.187 -2.236 1.00 76.26 C ATOM 1656 CG MET A 98 23.260 8.610 -3.268 1.00134.16 C ATOM 1657 SD MET A 98 23.948 7.185 -4.133 1.00192.83 S ATOM 1658 CE MET A 98 25.179 7.982 -5.162 1.00360.57 C ATOM 0 H MET A 98 23.931 11.589 -2.981 1.00 92.56 H new ATOM 0 HA MET A 98 22.651 9.930 -0.958 1.00 86.33 H new ATOM 0 HB2 MET A 98 25.089 9.591 -2.748 1.00 76.26 H new ATOM 0 HB3 MET A 98 24.569 8.383 -1.591 1.00 76.26 H new ATOM 0 HG2 MET A 98 22.333 8.318 -2.775 1.00134.16 H new ATOM 0 HG3 MET A 98 23.006 9.382 -3.994 1.00134.16 H new ATOM 0 HE1 MET A 98 25.594 7.256 -5.861 1.00360.57 H new ATOM 0 HE2 MET A 98 24.716 8.797 -5.718 1.00360.57 H new ATOM 0 HE3 MET A 98 25.977 8.379 -4.534 1.00360.57 H new ATOM 1668 N ALA A 99 24.963 11.869 -0.136 1.00100.18 N ATOM 1669 CA ALA A 99 25.863 12.329 0.920 1.00127.82 C ATOM 1670 C ALA A 99 25.237 12.182 2.308 1.00152.91 C ATOM 1671 O ALA A 99 25.918 11.816 3.269 1.00184.23 O ATOM 1672 CB ALA A 99 26.266 13.776 0.677 1.00148.64 C ATOM 0 H ALA A 99 24.703 12.593 -0.806 1.00100.18 H new ATOM 0 HA ALA A 99 26.751 11.698 0.891 1.00127.82 H new ATOM 0 HB1 ALA A 99 26.936 14.105 1.471 1.00148.64 H new ATOM 0 HB2 ALA A 99 26.775 13.856 -0.284 1.00148.64 H new ATOM 0 HB3 ALA A 99 25.376 14.405 0.669 1.00148.64 H new ATOM 1678 N TYR A 100 23.939 12.470 2.403 1.00156.72 N ATOM 1679 CA TYR A 100 23.216 12.380 3.672 1.00204.64 C ATOM 1680 C TYR A 100 23.192 10.952 4.213 1.00199.88 C ATOM 1681 O TYR A 100 23.311 10.748 5.420 1.00224.93 O ATOM 1682 CB TYR A 100 21.786 12.906 3.522 1.00239.39 C ATOM 1683 CG TYR A 100 21.689 14.416 3.533 1.00453.50 C ATOM 1684 CD1 TYR A 100 21.843 15.154 2.366 1.00583.16 C ATOM 1685 CD2 TYR A 100 21.449 15.105 4.717 1.00853.43 C ATOM 1686 CE1 TYR A 100 21.760 16.534 2.378 1.00999.99 C ATOM 1687 CE2 TYR A 100 21.364 16.484 4.735 1.00999.99 C ATOM 1688 CZ TYR A 100 21.520 17.194 3.563 1.00999.99 C ATOM 1689 OH TYR A 100 21.439 18.567 3.578 1.00999.99 O ATOM 0 H TYR A 100 23.365 12.768 1.614 1.00156.72 H new ATOM 0 HA TYR A 100 23.751 13.002 4.389 1.00204.64 H new ATOM 0 HB2 TYR A 100 21.366 12.531 2.589 1.00239.39 H new ATOM 0 HB3 TYR A 100 21.174 12.506 4.330 1.00239.39 H new ATOM 0 HD1 TYR A 100 22.031 14.641 1.434 1.00583.16 H new ATOM 0 HD2 TYR A 100 21.327 14.553 5.637 1.00853.43 H new ATOM 0 HE1 TYR A 100 21.883 17.092 1.462 1.00999.99 H new ATOM 0 HE2 TYR A 100 21.176 17.004 5.663 1.00999.99 H new ATOM 0 HH TYR A 100 21.264 18.874 4.492 1.00999.99 H new ATOM 1699 N PHE A 101 23.032 9.972 3.323 1.00177.77 N ATOM 1700 CA PHE A 101 23.003 8.564 3.723 1.00182.30 C ATOM 1701 C PHE A 101 24.302 8.175 4.429 1.00180.18 C ATOM 1702 O PHE A 101 24.281 7.543 5.485 1.00202.85 O ATOM 1703 CB PHE A 101 22.777 7.662 2.502 1.00169.69 C ATOM 1704 CG PHE A 101 22.726 6.195 2.834 1.00212.19 C ATOM 1705 CD1 PHE A 101 21.562 5.624 3.327 1.00237.60 C ATOM 1706 CD2 PHE A 101 23.841 5.391 2.665 1.00301.02 C ATOM 1707 CE1 PHE A 101 21.511 4.280 3.642 1.00297.03 C ATOM 1708 CE2 PHE A 101 23.795 4.045 2.978 1.00374.13 C ATOM 1709 CZ PHE A 101 22.629 3.490 3.468 1.00345.20 C ATOM 0 H PHE A 101 22.921 10.127 2.321 1.00177.77 H new ATOM 0 HA PHE A 101 22.175 8.427 4.419 1.00182.30 H new ATOM 0 HB2 PHE A 101 21.843 7.948 2.018 1.00169.69 H new ATOM 0 HB3 PHE A 101 23.576 7.835 1.781 1.00169.69 H new ATOM 0 HD1 PHE A 101 20.684 6.238 3.466 1.00237.60 H new ATOM 0 HD2 PHE A 101 24.756 5.820 2.285 1.00301.02 H new ATOM 0 HE1 PHE A 101 20.598 3.848 4.024 1.00297.03 H new ATOM 0 HE2 PHE A 101 24.670 3.428 2.839 1.00374.13 H new ATOM 0 HZ PHE A 101 22.592 2.439 3.715 1.00345.20 H new ATOM 1719 N TYR A 102 25.429 8.558 3.831 1.00164.80 N ATOM 1720 CA TYR A 102 26.744 8.265 4.396 1.00173.79 C ATOM 1721 C TYR A 102 26.887 8.887 5.785 1.00200.84 C ATOM 1722 O TYR A 102 27.327 8.228 6.730 1.00227.37 O ATOM 1723 CB TYR A 102 27.845 8.781 3.466 1.00171.66 C ATOM 1724 CG TYR A 102 29.246 8.613 4.018 1.00220.86 C ATOM 1725 CD1 TYR A 102 29.846 7.361 4.070 1.00393.52 C ATOM 1726 CD2 TYR A 102 29.966 9.707 4.484 1.00371.04 C ATOM 1727 CE1 TYR A 102 31.123 7.205 4.574 1.00693.62 C ATOM 1728 CE2 TYR A 102 31.243 9.557 4.986 1.00656.65 C ATOM 1729 CZ TYR A 102 31.818 8.305 5.030 1.00806.00 C ATOM 1730 OH TYR A 102 33.088 8.153 5.531 1.00999.99 O ATOM 0 H TYR A 102 25.457 9.074 2.952 1.00164.80 H new ATOM 0 HA TYR A 102 26.844 7.184 4.494 1.00173.79 H new ATOM 0 HB2 TYR A 102 27.776 8.258 2.512 1.00171.66 H new ATOM 0 HB3 TYR A 102 27.670 9.837 3.263 1.00171.66 H new ATOM 0 HD1 TYR A 102 29.306 6.497 3.711 1.00393.52 H new ATOM 0 HD2 TYR A 102 29.519 10.690 4.453 1.00371.04 H new ATOM 0 HE1 TYR A 102 31.575 6.225 4.611 1.00693.62 H new ATOM 0 HE2 TYR A 102 31.790 10.417 5.343 1.00656.65 H new ATOM 0 HH TYR A 102 33.437 9.026 5.808 1.00999.99 H new ATOM 1740 N ASP A 103 26.516 10.162 5.896 1.00204.76 N ATOM 1741 CA ASP A 103 26.592 10.881 7.168 1.00242.28 C ATOM 1742 C ASP A 103 25.699 10.225 8.220 1.00266.98 C ATOM 1743 O ASP A 103 26.066 10.143 9.393 1.00300.46 O ATOM 1744 CB ASP A 103 26.188 12.348 6.987 1.00257.95 C ATOM 1745 CG ASP A 103 27.234 13.159 6.246 1.00399.17 C ATOM 1746 OD1 ASP A 103 28.375 12.668 6.096 1.00558.87 O ATOM 1747 OD2 ASP A 103 26.914 14.286 5.814 1.00540.69 O1- ATOM 0 H ASP A 103 26.159 10.719 5.120 1.00204.76 H new ATOM 0 HA ASP A 103 27.626 10.839 7.511 1.00242.28 H new ATOM 0 HB2 ASP A 103 25.245 12.396 6.442 1.00257.95 H new ATOM 0 HB3 ASP A 103 26.014 12.796 7.966 1.00257.95 H new ATOM 1752 N ALA A 104 24.520 9.773 7.791 1.00260.90 N ATOM 1753 CA ALA A 104 23.572 9.113 8.685 1.00294.90 C ATOM 1754 C ALA A 104 24.161 7.833 9.271 1.00294.01 C ATOM 1755 O ALA A 104 23.969 7.542 10.453 1.00332.85 O ATOM 1756 CB ALA A 104 22.275 8.807 7.950 1.00298.30 C ATOM 0 H ALA A 104 24.199 9.853 6.826 1.00260.90 H new ATOM 0 HA ALA A 104 23.360 9.794 9.509 1.00294.90 H new ATOM 0 HB1 ALA A 104 21.579 8.315 8.630 1.00298.30 H new ATOM 0 HB2 ALA A 104 21.834 9.736 7.588 1.00298.30 H new ATOM 0 HB3 ALA A 104 22.482 8.150 7.105 1.00298.30 H new ATOM 1762 N LEU A 105 24.880 7.071 8.442 1.00259.78 N ATOM 1763 CA LEU A 105 25.499 5.825 8.895 1.00264.87 C ATOM 1764 C LEU A 105 26.521 6.099 9.990 1.00279.27 C ATOM 1765 O LEU A 105 26.590 5.369 10.979 1.00303.74 O ATOM 1766 CB LEU A 105 26.187 5.105 7.733 1.00241.53 C ATOM 1767 CG LEU A 105 25.258 4.503 6.680 1.00307.19 C ATOM 1768 CD1 LEU A 105 26.067 4.001 5.496 1.00385.85 C ATOM 1769 CD2 LEU A 105 24.428 3.375 7.278 1.00472.21 C ATOM 0 H LEU A 105 25.046 7.294 7.461 1.00259.78 H new ATOM 0 HA LEU A 105 24.708 5.189 9.292 1.00264.87 H new ATOM 0 HB2 LEU A 105 26.857 5.809 7.239 1.00241.53 H new ATOM 0 HB3 LEU A 105 26.808 4.307 8.141 1.00241.53 H new ATOM 0 HG LEU A 105 24.576 5.279 6.333 1.00307.19 H new ATOM 0 HD11 LEU A 105 25.395 3.574 4.751 1.00385.85 H new ATOM 0 HD12 LEU A 105 26.618 4.831 5.054 1.00385.85 H new ATOM 0 HD13 LEU A 105 26.769 3.238 5.832 1.00385.85 H new ATOM 0 HD21 LEU A 105 23.773 2.960 6.512 1.00472.21 H new ATOM 0 HD22 LEU A 105 25.091 2.594 7.651 1.00472.21 H new ATOM 0 HD23 LEU A 105 23.825 3.763 8.099 1.00472.21 H new ATOM 1781 N LYS A 106 27.325 7.144 9.797 1.00273.60 N ATOM 1782 CA LYS A 106 28.334 7.533 10.779 1.00299.72 C ATOM 1783 C LYS A 106 27.676 7.960 12.090 1.00347.63 C ATOM 1784 O LYS A 106 28.116 7.573 13.173 1.00382.37 O ATOM 1785 CB LYS A 106 29.198 8.671 10.222 1.00300.16 C ATOM 1786 CG LYS A 106 30.310 9.115 11.162 1.00356.49 C ATOM 1787 CD LYS A 106 31.228 10.135 10.504 1.00366.69 C ATOM 1788 CE LYS A 106 30.523 11.464 10.277 1.00569.73 C ATOM 1789 NZ LYS A 106 31.437 12.488 9.700 1.00821.44 N1+ ATOM 0 H LYS A 106 27.296 7.737 8.967 1.00273.60 H new ATOM 0 HA LYS A 106 28.970 6.672 10.981 1.00299.72 H new ATOM 0 HB2 LYS A 106 29.639 8.351 9.278 1.00300.16 H new ATOM 0 HB3 LYS A 106 28.558 9.526 10.002 1.00300.16 H new ATOM 0 HG2 LYS A 106 29.874 9.545 12.064 1.00356.49 H new ATOM 0 HG3 LYS A 106 30.893 8.248 11.472 1.00356.49 H new ATOM 0 HD2 LYS A 106 32.106 10.291 11.130 1.00366.69 H new ATOM 0 HD3 LYS A 106 31.582 9.744 9.550 1.00366.69 H new ATOM 0 HE2 LYS A 106 29.676 11.315 9.607 1.00569.73 H new ATOM 0 HE3 LYS A 106 30.122 11.828 11.223 1.00569.73 H new ATOM 0 HZ1 LYS A 106 30.917 13.378 9.561 1.00821.44 H new ATOM 0 HZ2 LYS A 106 32.232 12.649 10.350 1.00821.44 H new ATOM 0 HZ3 LYS A 106 31.800 12.153 8.785 1.00821.44 H new ATOM 1803 N ASP A 107 26.616 8.761 11.973 1.00359.01 N ATOM 1804 CA ASP A 107 25.872 9.256 13.135 1.00416.94 C ATOM 1805 C ASP A 107 25.319 8.111 13.984 1.00439.86 C ATOM 1806 O ASP A 107 25.383 8.152 15.212 1.00493.04 O ATOM 1807 CB ASP A 107 24.727 10.164 12.683 1.00429.68 C ATOM 1808 CG ASP A 107 23.981 10.781 13.850 1.00566.91 C ATOM 1809 OD1 ASP A 107 24.585 11.603 14.571 1.00638.90 O ATOM 1810 OD2 ASP A 107 22.792 10.451 14.037 1.00746.24 O1- ATOM 0 H ASP A 107 26.250 9.084 11.077 1.00359.01 H new ATOM 0 HA ASP A 107 26.568 9.825 13.751 1.00416.94 H new ATOM 0 HB2 ASP A 107 25.125 10.957 12.050 1.00429.68 H new ATOM 0 HB3 ASP A 107 24.030 9.589 12.074 1.00429.68 H new ATOM 1815 N LYS A 108 24.767 7.097 13.322 1.00410.03 N ATOM 1816 CA LYS A 108 24.192 5.949 14.021 1.00437.60 C ATOM 1817 C LYS A 108 25.242 4.870 14.293 1.00427.09 C ATOM 1818 O LYS A 108 24.952 3.875 14.960 1.00453.93 O ATOM 1819 CB LYS A 108 23.040 5.357 13.206 1.00433.31 C ATOM 1820 CG LYS A 108 21.852 6.295 13.056 1.00459.99 C ATOM 1821 CD LYS A 108 20.737 5.659 12.242 1.00625.88 C ATOM 1822 CE LYS A 108 19.552 6.599 12.095 1.00809.13 C ATOM 1823 NZ LYS A 108 18.454 5.991 11.293 1.00999.99 N1+ ATOM 0 H LYS A 108 24.705 7.046 12.305 1.00410.03 H new ATOM 0 HA LYS A 108 23.815 6.303 14.981 1.00437.60 H new ATOM 0 HB2 LYS A 108 23.408 5.089 12.215 1.00433.31 H new ATOM 0 HB3 LYS A 108 22.706 4.435 13.682 1.00433.31 H new ATOM 0 HG2 LYS A 108 21.475 6.566 14.042 1.00459.99 H new ATOM 0 HG3 LYS A 108 22.175 7.218 12.574 1.00459.99 H new ATOM 0 HD2 LYS A 108 21.113 5.389 11.255 1.00625.88 H new ATOM 0 HD3 LYS A 108 20.414 4.736 12.724 1.00625.88 H new ATOM 0 HE2 LYS A 108 19.175 6.865 13.083 1.00809.13 H new ATOM 0 HE3 LYS A 108 19.879 7.524 11.619 1.00809.13 H new ATOM 0 HZ1 LYS A 108 17.665 6.665 11.217 1.00999.99 H new ATOM 0 HZ2 LYS A 108 18.806 5.761 10.342 1.00999.99 H new ATOM 0 HZ3 LYS A 108 18.123 5.122 11.760 1.00999.99 H new ATOM 1837 N ASN A 109 26.454 5.081 13.774 1.00397.86 N ATOM 1838 CA ASN A 109 27.569 4.139 13.940 1.00395.56 C ATOM 1839 C ASN A 109 27.193 2.742 13.437 1.00379.75 C ATOM 1840 O ASN A 109 27.485 1.734 14.082 1.00398.92 O ATOM 1841 CB ASN A 109 28.006 4.079 15.410 1.00454.81 C ATOM 1842 CG ASN A 109 29.404 3.515 15.577 1.00493.28 C ATOM 1843 OD1 ASN A 109 30.288 3.759 14.758 1.00466.98 O ATOM 1844 ND2 ASN A 109 29.613 2.755 16.645 1.00675.44 N ATOM 0 H ASN A 109 26.692 5.908 13.227 1.00397.86 H new ATOM 0 HA ASN A 109 28.405 4.499 13.340 1.00395.56 H new ATOM 0 HB2 ASN A 109 27.968 5.081 15.838 1.00454.81 H new ATOM 0 HB3 ASN A 109 27.301 3.466 15.971 1.00454.81 H new ATOM 0 HD21 ASN A 109 30.534 2.349 16.810 1.00675.44 H new ATOM 0 HD22 ASN A 109 28.852 2.577 17.301 1.00675.44 H new ATOM 1851 N MET A 110 26.542 2.688 12.280 1.00357.57 N ATOM 1852 CA MET A 110 26.126 1.415 11.703 1.00356.11 C ATOM 1853 C MET A 110 27.000 1.034 10.511 1.00317.66 C ATOM 1854 O MET A 110 26.854 1.584 9.419 1.00347.18 O ATOM 1855 CB MET A 110 24.659 1.477 11.274 1.00376.47 C ATOM 1856 CG MET A 110 23.688 1.592 12.439 1.00500.58 C ATOM 1857 SD MET A 110 21.971 1.718 11.906 1.00891.58 S ATOM 1858 CE MET A 110 21.125 1.712 13.484 1.00999.99 C ATOM 0 H MET A 110 26.292 3.507 11.726 1.00357.57 H new ATOM 0 HA MET A 110 26.243 0.650 12.470 1.00356.11 H new ATOM 0 HB2 MET A 110 24.519 2.330 10.610 1.00376.47 H new ATOM 0 HB3 MET A 110 24.419 0.583 10.699 1.00376.47 H new ATOM 0 HG2 MET A 110 23.800 0.722 13.087 1.00500.58 H new ATOM 0 HG3 MET A 110 23.944 2.468 13.035 1.00500.58 H new ATOM 0 HE1 MET A 110 20.087 1.412 13.339 1.00999.99 H new ATOM 0 HE2 MET A 110 21.615 1.009 14.157 1.00999.99 H new ATOM 0 HE3 MET A 110 21.157 2.711 13.918 1.00999.99 H new ATOM 1868 N ILE A 111 27.909 0.091 10.733 1.00267.60 N ATOM 1869 CA ILE A 111 28.802 -0.377 9.680 1.00237.97 C ATOM 1870 C ILE A 111 28.224 -1.624 9.008 1.00208.35 C ATOM 1871 O ILE A 111 28.032 -2.651 9.663 1.00195.51 O ATOM 1872 CB ILE A 111 30.206 -0.698 10.244 1.00229.14 C ATOM 1873 CG1 ILE A 111 30.799 0.540 10.923 1.00282.61 C ATOM 1874 CG2 ILE A 111 31.132 -1.194 9.141 1.00210.79 C ATOM 1875 CD1 ILE A 111 32.044 0.251 11.736 1.00390.38 C ATOM 0 H ILE A 111 28.047 -0.365 11.635 1.00267.60 H new ATOM 0 HA ILE A 111 28.896 0.421 8.943 1.00237.97 H new ATOM 0 HB ILE A 111 30.106 -1.491 10.985 1.00229.14 H new ATOM 0 HG12 ILE A 111 31.037 1.282 10.161 1.00282.61 H new ATOM 0 HG13 ILE A 111 30.045 0.983 11.574 1.00282.61 H new ATOM 0 HG21 ILE A 111 32.114 -1.413 9.561 1.00210.79 H new ATOM 0 HG22 ILE A 111 30.717 -2.099 8.697 1.00210.79 H new ATOM 0 HG23 ILE A 111 31.229 -0.425 8.374 1.00210.79 H new ATOM 0 HD11 ILE A 111 32.407 1.175 12.187 1.00390.38 H new ATOM 0 HD12 ILE A 111 31.807 -0.467 12.521 1.00390.38 H new ATOM 0 HD13 ILE A 111 32.815 -0.163 11.086 1.00390.38 H new ATOM 1887 N PRO A 112 27.923 -1.553 7.696 1.00213.02 N ATOM 1888 CA PRO A 112 27.363 -2.693 6.956 1.00205.62 C ATOM 1889 C PRO A 112 28.382 -3.811 6.725 1.00166.01 C ATOM 1890 O PRO A 112 29.547 -3.556 6.413 1.00157.37 O ATOM 1891 CB PRO A 112 26.934 -2.069 5.625 1.00242.33 C ATOM 1892 CG PRO A 112 27.826 -0.887 5.454 1.00241.94 C ATOM 1893 CD PRO A 112 28.088 -0.361 6.840 1.00243.11 C ATOM 0 HA PRO A 112 26.551 -3.172 7.503 1.00205.62 H new ATOM 0 HB2 PRO A 112 27.050 -2.774 4.802 1.00242.33 H new ATOM 0 HB3 PRO A 112 25.885 -1.773 5.646 1.00242.33 H new ATOM 0 HG2 PRO A 112 28.757 -1.168 4.961 1.00241.94 H new ATOM 0 HG3 PRO A 112 27.353 -0.128 4.832 1.00241.94 H new ATOM 0 HD2 PRO A 112 29.089 0.061 6.927 1.00243.11 H new ATOM 0 HD3 PRO A 112 27.386 0.428 7.110 1.00243.11 H new ATOM 1901 N LYS A 113 27.930 -5.053 6.885 1.00158.33 N ATOM 1902 CA LYS A 113 28.788 -6.219 6.687 1.00137.17 C ATOM 1903 C LYS A 113 28.807 -6.640 5.220 1.00131.14 C ATOM 1904 O LYS A 113 27.795 -6.531 4.524 1.00143.93 O ATOM 1905 CB LYS A 113 28.309 -7.385 7.559 1.00150.89 C ATOM 1906 CG LYS A 113 28.377 -7.099 9.052 1.00177.84 C ATOM 1907 CD LYS A 113 27.975 -8.315 9.877 1.00242.64 C ATOM 1908 CE LYS A 113 26.495 -8.634 9.729 1.00406.97 C ATOM 1909 NZ LYS A 113 25.633 -7.532 10.240 1.00618.10 N1+ ATOM 0 H LYS A 113 26.972 -5.278 7.152 1.00158.33 H new ATOM 0 HA LYS A 113 29.802 -5.946 6.980 1.00137.17 H new ATOM 0 HB2 LYS A 113 27.281 -7.629 7.291 1.00150.89 H new ATOM 0 HB3 LYS A 113 28.914 -8.265 7.338 1.00150.89 H new ATOM 0 HG2 LYS A 113 29.390 -6.797 9.319 1.00177.84 H new ATOM 0 HG3 LYS A 113 27.721 -6.263 9.293 1.00177.84 H new ATOM 0 HD2 LYS A 113 28.565 -9.177 9.566 1.00242.64 H new ATOM 0 HD3 LYS A 113 28.205 -8.134 10.927 1.00242.64 H new ATOM 0 HE2 LYS A 113 26.267 -8.816 8.679 1.00406.97 H new ATOM 0 HE3 LYS A 113 26.266 -9.553 10.269 1.00406.97 H new ATOM 0 HZ1 LYS A 113 24.664 -7.884 10.375 1.00618.10 H new ATOM 0 HZ2 LYS A 113 26.007 -7.191 11.149 1.00618.10 H new ATOM 0 HZ3 LYS A 113 25.625 -6.751 9.554 1.00618.10 H new ATOM 1923 N TYR A 114 29.963 -7.110 4.749 1.00131.35 N ATOM 1924 CA TYR A 114 30.104 -7.559 3.369 1.00145.33 C ATOM 1925 C TYR A 114 29.314 -8.846 3.122 1.00168.40 C ATOM 1926 O TYR A 114 29.771 -9.940 3.459 1.00230.26 O ATOM 1927 CB TYR A 114 31.580 -7.784 3.032 1.00181.27 C ATOM 1928 CG TYR A 114 31.847 -8.019 1.562 1.00500.22 C ATOM 1929 CD1 TYR A 114 31.647 -7.009 0.628 1.00731.83 C ATOM 1930 CD2 TYR A 114 32.315 -9.248 1.111 1.00947.01 C ATOM 1931 CE1 TYR A 114 31.902 -7.221 -0.713 1.00999.99 C ATOM 1932 CE2 TYR A 114 32.571 -9.465 -0.229 1.00999.99 C ATOM 1933 CZ TYR A 114 32.364 -8.449 -1.136 1.00999.99 C ATOM 1934 OH TYR A 114 32.625 -8.660 -2.470 1.00999.99 O ATOM 0 H TYR A 114 30.814 -7.188 5.306 1.00131.35 H new ATOM 0 HA TYR A 114 29.701 -6.780 2.722 1.00145.33 H new ATOM 0 HB2 TYR A 114 32.153 -6.917 3.361 1.00181.27 H new ATOM 0 HB3 TYR A 114 31.945 -8.641 3.598 1.00181.27 H new ATOM 0 HD1 TYR A 114 31.287 -6.045 0.955 1.00731.83 H new ATOM 0 HD2 TYR A 114 32.481 -10.046 1.820 1.00947.01 H new ATOM 0 HE1 TYR A 114 31.740 -6.427 -1.427 1.00999.99 H new ATOM 0 HE2 TYR A 114 32.932 -10.426 -0.564 1.00999.99 H new ATOM 0 HH TYR A 114 31.981 -9.304 -2.832 1.00999.99 H new ATOM 1944 N LEU A 115 28.130 -8.709 2.545 1.00153.63 N ATOM 1945 CA LEU A 115 27.286 -9.860 2.247 1.00200.29 C ATOM 1946 C LEU A 115 27.424 -10.275 0.783 1.00200.92 C ATOM 1947 O LEU A 115 27.200 -9.465 -0.118 1.00160.68 O ATOM 1948 CB LEU A 115 25.821 -9.558 2.577 1.00229.55 C ATOM 1949 CG LEU A 115 25.542 -9.224 4.044 1.00303.77 C ATOM 1950 CD1 LEU A 115 24.086 -8.830 4.233 1.00415.25 C ATOM 1951 CD2 LEU A 115 25.894 -10.404 4.939 1.00397.52 C ATOM 0 H LEU A 115 27.730 -7.811 2.273 1.00153.63 H new ATOM 0 HA LEU A 115 27.619 -10.689 2.871 1.00200.29 H new ATOM 0 HB2 LEU A 115 25.491 -8.722 1.961 1.00229.55 H new ATOM 0 HB3 LEU A 115 25.216 -10.420 2.295 1.00229.55 H new ATOM 0 HG LEU A 115 26.169 -8.379 4.328 1.00303.77 H new ATOM 0 HD11 LEU A 115 23.906 -8.596 5.282 1.00415.25 H new ATOM 0 HD12 LEU A 115 23.864 -7.955 3.623 1.00415.25 H new ATOM 0 HD13 LEU A 115 23.443 -9.656 3.930 1.00415.25 H new ATOM 0 HD21 LEU A 115 25.689 -10.147 5.978 1.00397.52 H new ATOM 0 HD22 LEU A 115 25.294 -11.268 4.654 1.00397.52 H new ATOM 0 HD23 LEU A 115 26.952 -10.643 4.827 1.00397.52 H new ATOM 1963 N PRO A 116 27.801 -11.548 0.528 1.00281.30 N ATOM 1964 CA PRO A 116 27.958 -12.086 -0.839 1.00320.12 C ATOM 1965 C PRO A 116 26.698 -11.905 -1.687 1.00263.33 C ATOM 1966 O PRO A 116 26.778 -11.696 -2.900 1.00247.55 O ATOM 1967 CB PRO A 116 28.227 -13.572 -0.598 1.00469.15 C ATOM 1968 CG PRO A 116 28.844 -13.618 0.756 1.00529.15 C ATOM 1969 CD PRO A 116 28.129 -12.563 1.551 1.00382.32 C ATOM 0 HA PRO A 116 28.746 -11.575 -1.391 1.00320.12 H new ATOM 0 HB2 PRO A 116 27.306 -14.154 -0.636 1.00469.15 H new ATOM 0 HB3 PRO A 116 28.896 -13.983 -1.354 1.00469.15 H new ATOM 0 HG2 PRO A 116 28.724 -14.602 1.210 1.00529.15 H new ATOM 0 HG3 PRO A 116 29.914 -13.417 0.708 1.00529.15 H new ATOM 0 HD2 PRO A 116 27.234 -12.957 2.032 1.00382.32 H new ATOM 0 HD3 PRO A 116 28.760 -12.153 2.339 1.00382.32 H new ATOM 1977 N TYR A 117 25.541 -11.997 -1.036 1.00266.45 N ATOM 1978 CA TYR A 117 24.251 -11.834 -1.703 1.00243.82 C ATOM 1979 C TYR A 117 24.128 -10.454 -2.345 1.00155.14 C ATOM 1980 O TYR A 117 23.661 -10.330 -3.479 1.00146.85 O ATOM 1981 CB TYR A 117 23.098 -12.065 -0.723 1.00309.31 C ATOM 1982 CG TYR A 117 21.739 -11.807 -1.336 1.00328.26 C ATOM 1983 CD1 TYR A 117 21.247 -12.628 -2.342 1.00407.74 C ATOM 1984 CD2 TYR A 117 20.956 -10.741 -0.915 1.00341.89 C ATOM 1985 CE1 TYR A 117 20.012 -12.394 -2.911 1.00458.99 C ATOM 1986 CE2 TYR A 117 19.718 -10.501 -1.480 1.00394.67 C ATOM 1987 CZ TYR A 117 19.251 -11.330 -2.477 1.00432.02 C ATOM 1988 OH TYR A 117 18.019 -11.095 -3.041 1.00516.88 O ATOM 0 H TYR A 117 25.471 -12.186 -0.036 1.00266.45 H new ATOM 0 HA TYR A 117 24.194 -12.583 -2.493 1.00243.82 H new ATOM 0 HB2 TYR A 117 23.137 -13.092 -0.360 1.00309.31 H new ATOM 0 HB3 TYR A 117 23.229 -11.416 0.143 1.00309.31 H new ATOM 0 HD1 TYR A 117 21.840 -13.463 -2.684 1.00407.74 H new ATOM 0 HD2 TYR A 117 21.320 -10.089 -0.134 1.00341.89 H new ATOM 0 HE1 TYR A 117 19.643 -13.042 -3.693 1.00458.99 H new ATOM 0 HE2 TYR A 117 19.119 -9.668 -1.142 1.00394.67 H new ATOM 0 HH TYR A 117 17.612 -10.308 -2.622 1.00516.88 H new ATOM 1998 N MET A 118 24.544 -9.419 -1.614 1.00124.23 N ATOM 1999 CA MET A 118 24.471 -8.048 -2.112 1.00103.17 C ATOM 2000 C MET A 118 25.289 -7.899 -3.391 1.00 96.18 C ATOM 2001 O MET A 118 24.865 -7.229 -4.334 1.00101.18 O ATOM 2002 CB MET A 118 24.986 -7.071 -1.052 1.00134.95 C ATOM 2003 CG MET A 118 24.067 -6.926 0.150 1.00325.51 C ATOM 2004 SD MET A 118 24.729 -5.799 1.391 1.00566.08 S ATOM 2005 CE MET A 118 23.336 -5.664 2.508 1.00914.60 C ATOM 0 H MET A 118 24.935 -9.506 -0.676 1.00124.23 H new ATOM 0 HA MET A 118 23.428 -7.819 -2.332 1.00103.17 H new ATOM 0 HB2 MET A 118 25.966 -7.405 -0.710 1.00134.95 H new ATOM 0 HB3 MET A 118 25.125 -6.092 -1.511 1.00134.95 H new ATOM 0 HG2 MET A 118 23.094 -6.565 -0.182 1.00325.51 H new ATOM 0 HG3 MET A 118 23.907 -7.905 0.601 1.00325.51 H new ATOM 0 HE1 MET A 118 23.696 -5.626 3.536 1.00914.60 H new ATOM 0 HE2 MET A 118 22.778 -4.755 2.285 1.00914.60 H new ATOM 0 HE3 MET A 118 22.685 -6.529 2.384 1.00914.60 H new ATOM 2015 N GLU A 119 26.463 -8.523 -3.407 1.00117.85 N ATOM 2016 CA GLU A 119 27.334 -8.496 -4.576 1.00163.81 C ATOM 2017 C GLU A 119 26.638 -9.146 -5.772 1.00162.83 C ATOM 2018 O GLU A 119 26.712 -8.642 -6.895 1.00192.60 O ATOM 2019 CB GLU A 119 28.652 -9.219 -4.275 1.00231.37 C ATOM 2020 CG GLU A 119 29.644 -9.196 -5.430 1.00339.17 C ATOM 2021 CD GLU A 119 30.948 -9.897 -5.098 1.00455.50 C ATOM 2022 OE1 GLU A 119 31.084 -10.396 -3.960 1.00457.83 O ATOM 2023 OE2 GLU A 119 31.832 -9.951 -5.978 1.00675.31 O1- ATOM 0 H GLU A 119 26.834 -9.055 -2.620 1.00117.85 H new ATOM 0 HA GLU A 119 27.553 -7.457 -4.821 1.00163.81 H new ATOM 0 HB2 GLU A 119 29.115 -8.761 -3.401 1.00231.37 H new ATOM 0 HB3 GLU A 119 28.436 -10.255 -4.015 1.00231.37 H new ATOM 0 HG2 GLU A 119 29.192 -9.672 -6.301 1.00339.17 H new ATOM 0 HG3 GLU A 119 29.852 -8.162 -5.704 1.00339.17 H new ATOM 2030 N GLU A 120 25.959 -10.267 -5.516 1.00159.60 N ATOM 2031 CA GLU A 120 25.249 -11.003 -6.562 1.00190.47 C ATOM 2032 C GLU A 120 24.134 -10.160 -7.180 1.00143.38 C ATOM 2033 O GLU A 120 23.969 -10.147 -8.400 1.00164.78 O ATOM 2034 CB GLU A 120 24.661 -12.294 -5.989 1.00249.42 C ATOM 2035 CG GLU A 120 25.707 -13.342 -5.637 1.00389.00 C ATOM 2036 CD GLU A 120 25.129 -14.518 -4.875 1.00621.93 C ATOM 2037 OE1 GLU A 120 24.009 -14.383 -4.332 1.00703.99 O ATOM 2038 OE2 GLU A 120 25.792 -15.573 -4.820 1.00900.95 O1- ATOM 0 H GLU A 120 25.887 -10.685 -4.589 1.00159.60 H new ATOM 0 HA GLU A 120 25.968 -11.244 -7.345 1.00190.47 H new ATOM 0 HB2 GLU A 120 24.085 -12.055 -5.095 1.00249.42 H new ATOM 0 HB3 GLU A 120 23.965 -12.718 -6.713 1.00249.42 H new ATOM 0 HG2 GLU A 120 26.175 -13.703 -6.553 1.00389.00 H new ATOM 0 HG3 GLU A 120 26.492 -12.878 -5.039 1.00389.00 H new ATOM 2045 N ILE A 121 23.372 -9.459 -6.339 1.00104.94 N ATOM 2046 CA ILE A 121 22.291 -8.599 -6.822 1.00 94.04 C ATOM 2047 C ILE A 121 22.836 -7.482 -7.714 1.00 94.85 C ATOM 2048 O ILE A 121 22.295 -7.212 -8.786 1.00105.59 O ATOM 2049 CB ILE A 121 21.496 -7.985 -5.643 1.00103.27 C ATOM 2050 CG1 ILE A 121 20.753 -9.085 -4.879 1.00190.31 C ATOM 2051 CG2 ILE A 121 20.517 -6.923 -6.132 1.00158.01 C ATOM 2052 CD1 ILE A 121 19.753 -9.846 -5.725 1.00300.73 C ATOM 0 H ILE A 121 23.483 -9.470 -5.325 1.00104.94 H new ATOM 0 HA ILE A 121 21.618 -9.223 -7.410 1.00 94.04 H new ATOM 0 HB ILE A 121 22.205 -7.502 -4.970 1.00103.27 H new ATOM 0 HG12 ILE A 121 21.481 -9.788 -4.473 1.00190.31 H new ATOM 0 HG13 ILE A 121 20.233 -8.639 -4.031 1.00190.31 H new ATOM 0 HG21 ILE A 121 19.974 -6.510 -5.282 1.00158.01 H new ATOM 0 HG22 ILE A 121 21.066 -6.126 -6.634 1.00158.01 H new ATOM 0 HG23 ILE A 121 19.811 -7.373 -6.830 1.00158.01 H new ATOM 0 HD11 ILE A 121 19.267 -10.608 -5.116 1.00300.73 H new ATOM 0 HD12 ILE A 121 19.003 -9.156 -6.110 1.00300.73 H new ATOM 0 HD13 ILE A 121 20.269 -10.323 -6.558 1.00300.73 H new ATOM 2064 N ASN A 122 23.905 -6.835 -7.255 1.00110.64 N ATOM 2065 CA ASN A 122 24.538 -5.755 -8.011 1.00161.78 C ATOM 2066 C ASN A 122 25.088 -6.258 -9.349 1.00194.23 C ATOM 2067 O ASN A 122 24.975 -5.582 -10.371 1.00241.72 O ATOM 2068 CB ASN A 122 25.656 -5.111 -7.186 1.00211.29 C ATOM 2069 CG ASN A 122 26.338 -3.968 -7.916 1.00326.65 C ATOM 2070 OD1 ASN A 122 27.440 -4.121 -8.438 1.00450.08 O ATOM 2071 ND2 ASN A 122 25.683 -2.814 -7.956 1.00595.29 N ATOM 0 H ASN A 122 24.352 -7.040 -6.361 1.00110.64 H new ATOM 0 HA ASN A 122 23.776 -5.005 -8.222 1.00161.78 H new ATOM 0 HB2 ASN A 122 25.243 -4.742 -6.247 1.00211.29 H new ATOM 0 HB3 ASN A 122 26.397 -5.869 -6.932 1.00211.29 H new ATOM 0 HD21 ASN A 122 26.093 -2.011 -8.433 1.00595.29 H new ATOM 0 HD22 ASN A 122 24.770 -2.730 -7.509 1.00595.29 H new ATOM 2078 N ARG A 123 25.689 -7.446 -9.328 1.00196.99 N ATOM 2079 CA ARG A 123 26.265 -8.047 -10.531 1.00260.37 C ATOM 2080 C ARG A 123 25.191 -8.374 -11.575 1.00234.34 C ATOM 2081 O ARG A 123 25.434 -8.269 -12.780 1.00276.38 O ATOM 2082 CB ARG A 123 27.038 -9.317 -10.162 1.00316.55 C ATOM 2083 CG ARG A 123 27.841 -9.907 -11.311 1.00395.08 C ATOM 2084 CD ARG A 123 28.446 -11.254 -10.939 1.00495.61 C ATOM 2085 NE ARG A 123 27.427 -12.295 -10.796 1.00675.29 N ATOM 2086 CZ ARG A 123 26.894 -12.957 -11.823 1.00999.99 C ATOM 2087 NH1 ARG A 123 27.286 -12.694 -13.063 1.00999.99 N1+ ATOM 2088 NH2 ARG A 123 25.970 -13.885 -11.605 1.00999.99 N ATOM 0 H ARG A 123 25.790 -8.014 -8.487 1.00196.99 H new ATOM 0 HA ARG A 123 26.945 -7.318 -10.972 1.00260.37 H new ATOM 0 HB2 ARG A 123 27.714 -9.092 -9.337 1.00316.55 H new ATOM 0 HB3 ARG A 123 26.334 -10.067 -9.801 1.00316.55 H new ATOM 0 HG2 ARG A 123 27.197 -10.025 -12.183 1.00395.08 H new ATOM 0 HG3 ARG A 123 28.636 -9.216 -11.593 1.00395.08 H new ATOM 0 HD2 ARG A 123 29.163 -11.552 -11.704 1.00495.61 H new ATOM 0 HD3 ARG A 123 28.998 -11.157 -10.004 1.00495.61 H new ATOM 0 HE ARG A 123 27.106 -12.527 -9.856 1.00675.29 H new ATOM 0 HH11 ARG A 123 27.998 -11.983 -13.233 1.00999.99 H new ATOM 0 HH12 ARG A 123 26.876 -13.203 -13.846 1.00999.99 H new ATOM 0 HH21 ARG A 123 25.669 -14.091 -10.653 1.00999.99 H new ATOM 0 HH22 ARG A 123 25.561 -14.392 -12.390 1.00999.99 H new ATOM 2102 N MET A 124 24.007 -8.771 -11.112 1.00186.25 N ATOM 2103 CA MET A 124 22.913 -9.121 -12.017 1.00179.69 C ATOM 2104 C MET A 124 22.308 -7.884 -12.679 1.00149.83 C ATOM 2105 O MET A 124 22.063 -6.870 -12.023 1.00138.38 O ATOM 2106 CB MET A 124 21.821 -9.884 -11.263 1.00184.23 C ATOM 2107 CG MET A 124 22.238 -11.276 -10.817 1.00219.81 C ATOM 2108 SD MET A 124 20.985 -12.084 -9.801 1.00303.00 S ATOM 2109 CE MET A 124 19.708 -12.400 -11.017 1.00385.68 C ATOM 0 H MET A 124 23.781 -8.858 -10.121 1.00186.25 H new ATOM 0 HA MET A 124 23.330 -9.756 -12.799 1.00179.69 H new ATOM 0 HB2 MET A 124 21.526 -9.306 -10.387 1.00184.23 H new ATOM 0 HB3 MET A 124 20.942 -9.966 -11.902 1.00184.23 H new ATOM 0 HG2 MET A 124 22.439 -11.890 -11.695 1.00219.81 H new ATOM 0 HG3 MET A 124 23.169 -11.209 -10.254 1.00219.81 H new ATOM 0 HE1 MET A 124 18.956 -13.064 -10.591 1.00385.68 H new ATOM 0 HE2 MET A 124 19.240 -11.459 -11.306 1.00385.68 H new ATOM 0 HE3 MET A 124 20.150 -12.869 -11.896 1.00385.68 H new ATOM 2119 N ARG A 125 22.093 -7.982 -13.994 1.00150.14 N ATOM 2120 CA ARG A 125 21.493 -6.901 -14.779 1.00134.69 C ATOM 2121 C ARG A 125 20.158 -6.453 -14.179 1.00112.74 C ATOM 2122 O ARG A 125 19.405 -7.283 -13.664 1.00109.40 O ATOM 2123 CB ARG A 125 21.290 -7.353 -16.230 1.00146.40 C ATOM 2124 CG ARG A 125 22.590 -7.571 -16.989 1.00210.37 C ATOM 2125 CD ARG A 125 23.305 -6.258 -17.266 1.00374.62 C ATOM 2126 NE ARG A 125 24.534 -6.452 -18.033 1.00500.03 N ATOM 2127 CZ ARG A 125 25.720 -6.703 -17.482 1.00766.96 C ATOM 2128 NH1 ARG A 125 25.837 -6.800 -16.161 1.00973.30 N1+ ATOM 2129 NH2 ARG A 125 26.789 -6.861 -18.251 1.00999.99 N ATOM 0 H ARG A 125 22.329 -8.809 -14.542 1.00150.14 H new ATOM 0 HA ARG A 125 22.176 -6.052 -14.758 1.00134.69 H new ATOM 0 HB2 ARG A 125 20.716 -8.280 -16.236 1.00146.40 H new ATOM 0 HB3 ARG A 125 20.694 -6.606 -16.754 1.00146.40 H new ATOM 0 HG2 ARG A 125 23.243 -8.226 -16.412 1.00210.37 H new ATOM 0 HG3 ARG A 125 22.381 -8.078 -17.931 1.00210.37 H new ATOM 0 HD2 ARG A 125 22.638 -5.591 -17.813 1.00374.62 H new ATOM 0 HD3 ARG A 125 23.541 -5.768 -16.321 1.00374.62 H new ATOM 0 HE ARG A 125 24.480 -6.392 -19.050 1.00500.03 H new ATOM 0 HH11 ARG A 125 25.017 -6.682 -15.566 1.00973.30 H new ATOM 0 HH12 ARG A 125 26.747 -6.992 -15.742 1.00973.30 H new ATOM 0 HH21 ARG A 125 26.703 -6.790 -19.265 1.00999.99 H new ATOM 0 HH22 ARG A 125 27.697 -7.053 -17.829 1.00999.99 H new ATOM 2143 N PRO A 126 19.834 -5.142 -14.258 1.00110.35 N ATOM 2144 CA PRO A 126 18.574 -4.591 -13.717 1.00104.28 C ATOM 2145 C PRO A 126 17.332 -5.319 -14.238 1.00 98.38 C ATOM 2146 O PRO A 126 16.365 -5.519 -13.507 1.00102.62 O ATOM 2147 CB PRO A 126 18.591 -3.144 -14.219 1.00117.82 C ATOM 2148 CG PRO A 126 20.037 -2.825 -14.359 1.00149.60 C ATOM 2149 CD PRO A 126 20.673 -4.087 -14.867 1.00128.99 C ATOM 0 HA PRO A 126 18.519 -4.692 -12.633 1.00104.28 H new ATOM 0 HB2 PRO A 126 18.067 -3.046 -15.170 1.00117.82 H new ATOM 0 HB3 PRO A 126 18.101 -2.472 -13.514 1.00117.82 H new ATOM 0 HG2 PRO A 126 20.192 -1.999 -15.053 1.00149.60 H new ATOM 0 HG3 PRO A 126 20.468 -2.524 -13.404 1.00149.60 H new ATOM 0 HD2 PRO A 126 20.660 -4.137 -15.956 1.00128.99 H new ATOM 0 HD3 PRO A 126 21.715 -4.169 -14.557 1.00128.99 H new ATOM 2157 N ALA A 127 17.367 -5.688 -15.514 1.00102.37 N ATOM 2158 CA ALA A 127 16.275 -6.414 -16.151 1.00111.34 C ATOM 2159 C ALA A 127 16.071 -7.803 -15.538 1.00122.44 C ATOM 2160 O ALA A 127 14.948 -8.300 -15.468 1.00147.02 O ATOM 2161 CB ALA A 127 16.528 -6.535 -17.647 1.00124.74 C ATOM 0 H ALA A 127 18.152 -5.492 -16.135 1.00102.37 H new ATOM 0 HA ALA A 127 15.362 -5.844 -15.981 1.00111.34 H new ATOM 0 HB1 ALA A 127 15.706 -7.079 -18.112 1.00124.74 H new ATOM 0 HB2 ALA A 127 16.599 -5.540 -18.086 1.00124.74 H new ATOM 0 HB3 ALA A 127 17.461 -7.073 -17.816 1.00124.74 H new ATOM 2167 N ASP A 128 17.166 -8.427 -15.104 1.00119.66 N ATOM 2168 CA ASP A 128 17.106 -9.781 -14.546 1.00143.76 C ATOM 2169 C ASP A 128 16.880 -9.800 -13.033 1.00139.80 C ATOM 2170 O ASP A 128 16.544 -10.845 -12.476 1.00168.58 O ATOM 2171 CB ASP A 128 18.400 -10.539 -14.865 1.00162.48 C ATOM 2172 CG ASP A 128 18.538 -10.885 -16.334 1.00236.45 C ATOM 2173 OD1 ASP A 128 17.522 -10.834 -17.057 1.00277.81 O ATOM 2174 OD2 ASP A 128 19.666 -11.205 -16.762 1.00360.37 O1- ATOM 0 H ASP A 128 18.101 -8.021 -15.127 1.00119.66 H new ATOM 0 HA ASP A 128 16.248 -10.266 -15.012 1.00143.76 H new ATOM 0 HB2 ASP A 128 19.254 -9.934 -14.558 1.00162.48 H new ATOM 0 HB3 ASP A 128 18.431 -11.456 -14.277 1.00162.48 H new ATOM 2179 N VAL A 129 17.067 -8.670 -12.362 1.00120.14 N ATOM 2180 CA VAL A 129 16.872 -8.626 -10.916 1.00130.04 C ATOM 2181 C VAL A 129 15.561 -7.918 -10.548 1.00125.41 C ATOM 2182 O VAL A 129 15.261 -6.841 -11.065 1.00112.69 O ATOM 2183 CB VAL A 129 18.073 -7.947 -10.204 1.00135.68 C ATOM 2184 CG1 VAL A 129 18.263 -6.514 -10.677 1.00183.43 C ATOM 2185 CG2 VAL A 129 17.908 -7.994 -8.692 1.00187.93 C ATOM 0 H VAL A 129 17.348 -7.786 -12.785 1.00120.14 H new ATOM 0 HA VAL A 129 16.809 -9.657 -10.569 1.00130.04 H new ATOM 0 HB VAL A 129 18.969 -8.508 -10.469 1.00135.68 H new ATOM 0 HG11 VAL A 129 19.112 -6.069 -10.158 1.00183.43 H new ATOM 0 HG12 VAL A 129 18.450 -6.507 -11.751 1.00183.43 H new ATOM 0 HG13 VAL A 129 17.363 -5.937 -10.462 1.00183.43 H new ATOM 0 HG21 VAL A 129 18.763 -7.512 -8.218 1.00187.93 H new ATOM 0 HG22 VAL A 129 16.994 -7.472 -8.409 1.00187.93 H new ATOM 0 HG23 VAL A 129 17.849 -9.032 -8.365 1.00187.93 H new ATOM 2195 N PRO A 130 14.742 -8.540 -9.671 1.00153.16 N ATOM 2196 CA PRO A 130 13.471 -7.956 -9.215 1.00165.65 C ATOM 2197 C PRO A 130 13.667 -6.629 -8.481 1.00148.60 C ATOM 2198 O PRO A 130 14.671 -6.430 -7.794 1.00149.75 O ATOM 2199 CB PRO A 130 12.914 -9.008 -8.252 1.00213.33 C ATOM 2200 CG PRO A 130 13.585 -10.276 -8.649 1.00265.39 C ATOM 2201 CD PRO A 130 14.964 -9.876 -9.085 1.00195.88 C ATOM 0 HA PRO A 130 12.812 -7.729 -10.053 1.00165.65 H new ATOM 0 HB2 PRO A 130 13.133 -8.752 -7.215 1.00213.33 H new ATOM 0 HB3 PRO A 130 11.830 -9.089 -8.338 1.00213.33 H new ATOM 0 HG2 PRO A 130 13.624 -10.978 -7.816 1.00265.39 H new ATOM 0 HG3 PRO A 130 13.045 -10.770 -9.457 1.00265.39 H new ATOM 0 HD2 PRO A 130 15.660 -9.840 -8.247 1.00195.88 H new ATOM 0 HD3 PRO A 130 15.377 -10.574 -9.813 1.00195.88 H new ATOM 2209 N VAL A 131 12.698 -5.733 -8.621 1.00152.18 N ATOM 2210 CA VAL A 131 12.761 -4.433 -7.964 1.00147.96 C ATOM 2211 C VAL A 131 11.497 -4.190 -7.143 1.00172.15 C ATOM 2212 O VAL A 131 10.430 -4.722 -7.458 1.00211.66 O ATOM 2213 CB VAL A 131 12.944 -3.279 -8.982 1.00167.12 C ATOM 2214 CG1 VAL A 131 14.294 -3.382 -9.680 1.00246.78 C ATOM 2215 CG2 VAL A 131 11.816 -3.272 -10.008 1.00227.19 C ATOM 0 H VAL A 131 11.860 -5.882 -9.183 1.00152.18 H new ATOM 0 HA VAL A 131 13.630 -4.447 -7.306 1.00147.96 H new ATOM 0 HB VAL A 131 12.911 -2.339 -8.430 1.00167.12 H new ATOM 0 HG11 VAL A 131 14.400 -2.562 -10.390 1.00246.78 H new ATOM 0 HG12 VAL A 131 15.092 -3.326 -8.939 1.00246.78 H new ATOM 0 HG13 VAL A 131 14.358 -4.332 -10.211 1.00246.78 H new ATOM 0 HG21 VAL A 131 11.968 -2.453 -10.711 1.00227.19 H new ATOM 0 HG22 VAL A 131 11.811 -4.218 -10.549 1.00227.19 H new ATOM 0 HG23 VAL A 131 10.861 -3.140 -9.498 1.00227.19 H new ATOM 2225 N LYS A 132 11.618 -3.390 -6.089 1.00176.59 N ATOM 2226 CA LYS A 132 10.480 -3.090 -5.230 1.00221.54 C ATOM 2227 C LYS A 132 10.174 -1.598 -5.231 1.00177.73 C ATOM 2228 O LYS A 132 11.054 -0.771 -4.991 1.00160.46 O ATOM 2229 CB LYS A 132 10.750 -3.562 -3.795 1.00322.36 C ATOM 2230 CG LYS A 132 11.028 -5.054 -3.673 1.00501.64 C ATOM 2231 CD LYS A 132 9.813 -5.886 -4.055 1.00646.40 C ATOM 2232 CE LYS A 132 10.083 -7.373 -3.885 1.00938.49 C ATOM 2233 NZ LYS A 132 10.376 -7.726 -2.468 1.00999.99 N1+ ATOM 0 H LYS A 132 12.490 -2.939 -5.810 1.00176.59 H new ATOM 0 HA LYS A 132 9.615 -3.623 -5.625 1.00221.54 H new ATOM 0 HB2 LYS A 132 11.602 -3.011 -3.397 1.00322.36 H new ATOM 0 HB3 LYS A 132 9.890 -3.312 -3.174 1.00322.36 H new ATOM 0 HG2 LYS A 132 11.868 -5.321 -4.314 1.00501.64 H new ATOM 0 HG3 LYS A 132 11.321 -5.287 -2.649 1.00501.64 H new ATOM 0 HD2 LYS A 132 8.963 -5.596 -3.437 1.00646.40 H new ATOM 0 HD3 LYS A 132 9.540 -5.680 -5.090 1.00646.40 H new ATOM 0 HE2 LYS A 132 9.218 -7.941 -4.229 1.00938.49 H new ATOM 0 HE3 LYS A 132 10.925 -7.663 -4.513 1.00938.49 H new ATOM 0 HZ1 LYS A 132 10.303 -8.756 -2.345 1.00999.99 H new ATOM 0 HZ2 LYS A 132 11.338 -7.415 -2.225 1.00999.99 H new ATOM 0 HZ3 LYS A 132 9.691 -7.254 -1.844 1.00999.99 H new ATOM 2247 N TYR A 133 8.920 -1.261 -5.502 1.00198.47 N ATOM 2248 CA TYR A 133 8.492 0.132 -5.528 1.00193.72 C ATOM 2249 C TYR A 133 8.144 0.610 -4.121 1.00206.40 C ATOM 2250 O TYR A 133 6.976 0.657 -3.738 1.00307.93 O ATOM 2251 CB TYR A 133 7.297 0.306 -6.469 1.00262.32 C ATOM 2252 CG TYR A 133 7.511 -0.318 -7.831 1.00288.85 C ATOM 2253 CD1 TYR A 133 6.729 -1.383 -8.261 1.00366.86 C ATOM 2254 CD2 TYR A 133 8.503 0.152 -8.683 1.00322.38 C ATOM 2255 CE1 TYR A 133 6.931 -1.961 -9.503 1.00427.35 C ATOM 2256 CE2 TYR A 133 8.709 -0.418 -9.925 1.00378.39 C ATOM 2257 CZ TYR A 133 7.921 -1.474 -10.329 1.00405.19 C ATOM 2258 OH TYR A 133 8.124 -2.046 -11.564 1.00495.41 O ATOM 0 H TYR A 133 8.181 -1.933 -5.707 1.00198.47 H new ATOM 0 HA TYR A 133 9.315 0.741 -5.902 1.00193.72 H new ATOM 0 HB2 TYR A 133 6.414 -0.137 -6.009 1.00262.32 H new ATOM 0 HB3 TYR A 133 7.093 1.370 -6.592 1.00262.32 H new ATOM 0 HD1 TYR A 133 5.952 -1.766 -7.617 1.00366.86 H new ATOM 0 HD2 TYR A 133 9.124 0.978 -8.369 1.00322.38 H new ATOM 0 HE1 TYR A 133 6.316 -2.789 -9.823 1.00427.35 H new ATOM 0 HE2 TYR A 133 9.483 -0.038 -10.575 1.00378.39 H new ATOM 0 HH TYR A 133 8.858 -1.585 -12.021 1.00495.41 H new ATOM 2268 N MET A 134 9.171 0.960 -3.356 1.00190.99 N ATOM 2269 CA MET A 134 8.982 1.428 -1.987 1.00213.99 C ATOM 2270 C MET A 134 8.654 2.918 -1.956 1.00260.47 C ATOM 2271 O MET A 134 9.535 3.723 -2.330 1.00435.79 O ATOM 2272 CB MET A 134 10.241 1.157 -1.162 1.00301.25 C ATOM 2273 CG MET A 134 10.535 -0.322 -0.972 1.00435.87 C ATOM 2274 SD MET A 134 12.097 -0.616 -0.117 1.00688.60 S ATOM 2275 CE MET A 134 11.689 -0.068 1.539 1.00761.34 C ATOM 2276 OXT MET A 134 7.526 3.267 -1.554 1.00367.68 O ATOM 0 H MET A 134 10.144 0.929 -3.660 1.00190.99 H new ATOM 0 HA MET A 134 8.142 0.883 -1.556 1.00213.99 H new ATOM 0 HB2 MET A 134 11.094 1.629 -1.650 1.00301.25 H new ATOM 0 HB3 MET A 134 10.133 1.626 -0.184 1.00301.25 H new ATOM 0 HG2 MET A 134 9.724 -0.780 -0.406 1.00435.87 H new ATOM 0 HG3 MET A 134 10.560 -0.811 -1.946 1.00435.87 H new ATOM 0 HE1 MET A 134 12.481 -0.365 2.226 1.00761.34 H new ATOM 0 HE2 MET A 134 11.589 1.017 1.549 1.00761.34 H new ATOM 0 HE3 MET A 134 10.748 -0.522 1.851 1.00761.34 H new TER 2286 MET A 134