USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 954 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 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 108 HIS : no HE2:sc= -2.91! C(o=-2.9!,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0501 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -2.05! (180deg=-3.19!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 22 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.03) USER MOD Single : A 23 THR OG1 : rot -110:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -145:sc= -0.0631 (180deg=-1.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 20:sc= 0.188 USER MOD Single : A 43 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.038) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.6) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.028) USER MOD Single : A 73 TYR OH : rot 5:sc= 0.0681 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -53:sc= 0.0774 USER MOD Single : A 81 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.393) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 156:sc= -0.0185 (180deg=-0.254) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.27 F(o=-4.4!,f=-1.3) USER MOD Single : A 100 TYR OH : rot 130:sc= -2.53! USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.311 F(o=-0.98,f=-0.31) USER MOD Single : A 102 THR OG1 : rot -40:sc= 0.0249 USER MOD Single : A 103 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= -0.455 X(o=-0.46,f=-0.86) USER MOD Single : A 117 TYR OH : rot -20:sc= -0.915 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 77:sc= 0.0324 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.860 12.583 -8.572 1.00 0.00 N ATOM 2 CA GLY A 1 -26.241 11.692 -9.652 1.00 0.00 C ATOM 3 C GLY A 1 -25.048 11.000 -10.281 1.00 0.00 C ATOM 4 O GLY A 1 -24.000 10.858 -9.650 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.431 12.371 -7.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.853 12.449 -8.350 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.022 13.569 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.934 10.941 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.773 12.259 -10.416 1.00 0.00 H new ATOM 8 N SER A 2 -25.207 10.565 -11.527 1.00 0.00 N ATOM 9 CA SER A 2 -24.135 9.879 -12.239 1.00 0.00 C ATOM 10 C SER A 2 -24.037 10.373 -13.679 1.00 0.00 C ATOM 11 O SER A 2 -24.984 10.947 -14.216 1.00 0.00 O ATOM 12 CB SER A 2 -24.370 8.367 -12.222 1.00 0.00 C ATOM 13 OG SER A 2 -24.377 7.867 -10.896 1.00 0.00 O ATOM 0 H SER A 2 -26.067 10.675 -12.064 1.00 0.00 H new ATOM 0 HA SER A 2 -23.196 10.100 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.320 8.138 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.591 7.868 -12.798 1.00 0.00 H new ATOM 0 HG SER A 2 -24.531 6.899 -10.912 1.00 0.00 H new ATOM 19 N SER A 3 -22.882 10.146 -14.298 1.00 0.00 N ATOM 20 CA SER A 3 -22.657 10.572 -15.675 1.00 0.00 C ATOM 21 C SER A 3 -23.620 9.868 -16.625 1.00 0.00 C ATOM 22 O SER A 3 -24.415 10.510 -17.310 1.00 0.00 O ATOM 23 CB SER A 3 -21.212 10.285 -16.089 1.00 0.00 C ATOM 24 OG SER A 3 -20.899 10.918 -17.318 1.00 0.00 O ATOM 0 H SER A 3 -22.089 9.670 -13.868 1.00 0.00 H new ATOM 0 HA SER A 3 -22.838 11.645 -15.732 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.532 10.634 -15.313 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.064 9.209 -16.182 1.00 0.00 H new ATOM 0 HG SER A 3 -19.970 10.721 -17.560 1.00 0.00 H new ATOM 30 N GLY A 4 -23.542 8.541 -16.662 1.00 0.00 N ATOM 31 CA GLY A 4 -24.412 7.770 -17.531 1.00 0.00 C ATOM 32 C GLY A 4 -24.748 6.408 -16.956 1.00 0.00 C ATOM 33 O GLY A 4 -24.672 6.203 -15.745 1.00 0.00 O ATOM 0 H GLY A 4 -22.892 7.986 -16.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.334 8.326 -17.703 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.931 7.643 -18.501 1.00 0.00 H new ATOM 37 N SER A 5 -25.121 5.476 -17.827 1.00 0.00 N ATOM 38 CA SER A 5 -25.475 4.128 -17.398 1.00 0.00 C ATOM 39 C SER A 5 -24.224 3.290 -17.150 1.00 0.00 C ATOM 40 O SER A 5 -23.163 3.557 -17.715 1.00 0.00 O ATOM 41 CB SER A 5 -26.356 3.450 -18.449 1.00 0.00 C ATOM 42 OG SER A 5 -27.219 2.497 -17.854 1.00 0.00 O ATOM 0 H SER A 5 -25.186 5.629 -18.833 1.00 0.00 H new ATOM 0 HA SER A 5 -26.031 4.206 -16.463 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.946 4.202 -18.973 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.728 2.961 -19.194 1.00 0.00 H new ATOM 0 HG SER A 5 -27.772 2.079 -18.547 1.00 0.00 H new ATOM 48 N SER A 6 -24.357 2.276 -16.301 1.00 0.00 N ATOM 49 CA SER A 6 -23.238 1.400 -15.975 1.00 0.00 C ATOM 50 C SER A 6 -22.729 0.681 -17.220 1.00 0.00 C ATOM 51 O SER A 6 -23.503 0.077 -17.961 1.00 0.00 O ATOM 52 CB SER A 6 -23.655 0.378 -14.916 1.00 0.00 C ATOM 53 OG SER A 6 -23.953 1.011 -13.684 1.00 0.00 O ATOM 0 H SER A 6 -25.229 2.041 -15.826 1.00 0.00 H new ATOM 0 HA SER A 6 -22.431 2.016 -15.578 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.527 -0.175 -15.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.854 -0.347 -14.771 1.00 0.00 H new ATOM 0 HG SER A 6 -24.218 0.336 -13.025 1.00 0.00 H new ATOM 59 N GLY A 7 -21.420 0.752 -17.444 1.00 0.00 N ATOM 60 CA GLY A 7 -20.829 0.105 -18.600 1.00 0.00 C ATOM 61 C GLY A 7 -19.523 0.749 -19.021 1.00 0.00 C ATOM 62 O GLY A 7 -19.489 1.537 -19.965 1.00 0.00 O ATOM 0 H GLY A 7 -20.759 1.246 -16.845 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.655 -0.947 -18.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.533 0.141 -19.432 1.00 0.00 H new ATOM 66 N GLU A 8 -18.446 0.413 -18.317 1.00 0.00 N ATOM 67 CA GLU A 8 -17.132 0.967 -18.623 1.00 0.00 C ATOM 68 C GLU A 8 -16.062 -0.121 -18.587 1.00 0.00 C ATOM 69 O GLU A 8 -16.276 -1.200 -18.034 1.00 0.00 O ATOM 70 CB GLU A 8 -16.779 2.077 -17.631 1.00 0.00 C ATOM 71 CG GLU A 8 -17.629 3.327 -17.789 1.00 0.00 C ATOM 72 CD GLU A 8 -17.303 4.098 -19.053 1.00 0.00 C ATOM 73 OE1 GLU A 8 -16.112 4.146 -19.427 1.00 0.00 O ATOM 74 OE2 GLU A 8 -18.237 4.654 -19.668 1.00 0.00 O ATOM 0 H GLU A 8 -18.458 -0.239 -17.533 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.167 1.386 -19.629 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.893 1.696 -16.616 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.729 2.343 -17.755 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.682 3.047 -17.800 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.481 3.974 -16.925 1.00 0.00 H new ATOM 81 N ASP A 9 -14.910 0.172 -19.180 1.00 0.00 N ATOM 82 CA ASP A 9 -13.805 -0.779 -19.217 1.00 0.00 C ATOM 83 C ASP A 9 -12.532 -0.156 -18.653 1.00 0.00 C ATOM 84 O ASP A 9 -11.676 0.317 -19.402 1.00 0.00 O ATOM 85 CB ASP A 9 -13.563 -1.258 -20.649 1.00 0.00 C ATOM 86 CG ASP A 9 -14.835 -1.735 -21.323 1.00 0.00 C ATOM 87 OD1 ASP A 9 -15.383 -2.769 -20.889 1.00 0.00 O ATOM 88 OD2 ASP A 9 -15.280 -1.074 -22.285 1.00 0.00 O ATOM 0 H ASP A 9 -14.717 1.061 -19.642 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.074 -1.634 -18.597 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.129 -0.446 -21.232 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.834 -2.069 -20.640 1.00 0.00 H new ATOM 93 N TYR A 10 -12.414 -0.157 -17.330 1.00 0.00 N ATOM 94 CA TYR A 10 -11.247 0.412 -16.666 1.00 0.00 C ATOM 95 C TYR A 10 -10.304 -0.687 -16.186 1.00 0.00 C ATOM 96 O TYR A 10 -9.786 -0.631 -15.071 1.00 0.00 O ATOM 97 CB TYR A 10 -11.680 1.281 -15.484 1.00 0.00 C ATOM 98 CG TYR A 10 -12.066 2.689 -15.877 1.00 0.00 C ATOM 99 CD1 TYR A 10 -13.331 2.970 -16.378 1.00 0.00 C ATOM 100 CD2 TYR A 10 -11.165 3.739 -15.746 1.00 0.00 C ATOM 101 CE1 TYR A 10 -13.687 4.255 -16.739 1.00 0.00 C ATOM 102 CE2 TYR A 10 -11.514 5.028 -16.102 1.00 0.00 C ATOM 103 CZ TYR A 10 -12.775 5.280 -16.599 1.00 0.00 C ATOM 104 OH TYR A 10 -13.127 6.562 -16.956 1.00 0.00 O ATOM 0 H TYR A 10 -13.112 -0.546 -16.696 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.715 1.032 -17.388 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.526 0.807 -14.986 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -10.867 1.325 -14.759 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.048 2.170 -16.487 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.175 3.544 -15.360 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -14.674 4.456 -17.129 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.803 5.833 -15.991 1.00 0.00 H new ATOM 0 HH TYR A 10 -12.372 7.166 -16.795 1.00 0.00 H new ATOM 114 N GLU A 11 -10.087 -1.685 -17.037 1.00 0.00 N ATOM 115 CA GLU A 11 -9.206 -2.797 -16.700 1.00 0.00 C ATOM 116 C GLU A 11 -7.784 -2.531 -17.184 1.00 0.00 C ATOM 117 O GLU A 11 -6.824 -2.644 -16.421 1.00 0.00 O ATOM 118 CB GLU A 11 -9.731 -4.096 -17.314 1.00 0.00 C ATOM 119 CG GLU A 11 -11.216 -4.322 -17.083 1.00 0.00 C ATOM 120 CD GLU A 11 -11.498 -5.095 -15.810 1.00 0.00 C ATOM 121 OE1 GLU A 11 -11.140 -4.598 -14.722 1.00 0.00 O ATOM 122 OE2 GLU A 11 -12.076 -6.198 -15.902 1.00 0.00 O ATOM 0 H GLU A 11 -10.509 -1.746 -17.964 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.189 -2.897 -15.615 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.536 -4.086 -18.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.175 -4.936 -16.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.724 -3.358 -17.038 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.634 -4.863 -17.932 1.00 0.00 H new ATOM 129 N LYS A 12 -7.655 -2.178 -18.458 1.00 0.00 N ATOM 130 CA LYS A 12 -6.352 -1.895 -19.047 1.00 0.00 C ATOM 131 C LYS A 12 -5.651 -0.764 -18.299 1.00 0.00 C ATOM 132 O LYS A 12 -4.471 -0.496 -18.524 1.00 0.00 O ATOM 133 CB LYS A 12 -6.505 -1.525 -20.524 1.00 0.00 C ATOM 134 CG LYS A 12 -7.435 -2.451 -21.289 1.00 0.00 C ATOM 135 CD LYS A 12 -8.832 -1.866 -21.406 1.00 0.00 C ATOM 136 CE LYS A 12 -9.894 -2.956 -21.416 1.00 0.00 C ATOM 137 NZ LYS A 12 -11.134 -2.516 -22.113 1.00 0.00 N ATOM 0 H LYS A 12 -8.439 -2.081 -19.104 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.742 -2.795 -18.966 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.881 -0.504 -20.597 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.523 -1.538 -20.997 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.031 -2.632 -22.285 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.485 -3.416 -20.785 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.014 -1.187 -20.573 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.905 -1.277 -22.320 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.497 -3.845 -21.907 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.134 -3.238 -20.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.936 -3.096 -21.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.320 -1.517 -21.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.013 -2.628 -23.140 1.00 0.00 H new ATOM 151 N VAL A 13 -6.386 -0.105 -17.409 1.00 0.00 N ATOM 152 CA VAL A 13 -5.834 0.994 -16.626 1.00 0.00 C ATOM 153 C VAL A 13 -4.591 0.555 -15.862 1.00 0.00 C ATOM 154 O VAL A 13 -4.432 -0.612 -15.503 1.00 0.00 O ATOM 155 CB VAL A 13 -6.869 1.547 -15.628 1.00 0.00 C ATOM 156 CG1 VAL A 13 -8.108 2.039 -16.360 1.00 0.00 C ATOM 157 CG2 VAL A 13 -7.233 0.488 -14.598 1.00 0.00 C ATOM 0 H VAL A 13 -7.365 -0.313 -17.212 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.564 1.780 -17.331 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.426 2.394 -15.104 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.827 2.426 -15.638 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.829 2.831 -17.055 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.556 1.213 -16.912 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.965 0.895 -13.901 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.657 -0.380 -15.103 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.338 0.189 -14.051 1.00 0.00 H new ATOM 167 N PRO A 14 -3.685 1.511 -15.605 1.00 0.00 N ATOM 168 CA PRO A 14 -2.439 1.247 -14.879 1.00 0.00 C ATOM 169 C PRO A 14 -2.681 0.943 -13.405 1.00 0.00 C ATOM 170 O PRO A 14 -2.213 -0.071 -12.885 1.00 0.00 O ATOM 171 CB PRO A 14 -1.655 2.552 -15.035 1.00 0.00 C ATOM 172 CG PRO A 14 -2.696 3.596 -15.249 1.00 0.00 C ATOM 173 CD PRO A 14 -3.809 2.923 -16.003 1.00 0.00 C ATOM 0 HA PRO A 14 -1.918 0.372 -15.267 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.058 2.764 -14.148 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.966 2.501 -15.878 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.053 3.992 -14.298 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.295 4.437 -15.814 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.782 3.333 -15.733 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.698 3.048 -17.080 1.00 0.00 H new ATOM 181 N LEU A 15 -3.413 1.826 -12.736 1.00 0.00 N ATOM 182 CA LEU A 15 -3.718 1.652 -11.320 1.00 0.00 C ATOM 183 C LEU A 15 -5.224 1.587 -11.090 1.00 0.00 C ATOM 184 O LEU A 15 -5.920 2.603 -11.082 1.00 0.00 O ATOM 185 CB LEU A 15 -3.114 2.796 -10.503 1.00 0.00 C ATOM 186 CG LEU A 15 -1.747 2.525 -9.876 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.813 1.318 -8.952 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.696 2.314 -10.956 1.00 0.00 C ATOM 0 H LEU A 15 -3.807 2.670 -13.151 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.279 0.709 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.028 3.670 -11.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.812 3.055 -9.706 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.462 3.395 -9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.830 1.140 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.535 1.507 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.121 0.441 -9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.271 2.122 -10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.976 1.461 -11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.629 3.207 -11.578 1.00 0.00 H new ATOM 200 N PRO A 16 -5.742 0.365 -10.897 1.00 0.00 N ATOM 201 CA PRO A 16 -7.171 0.139 -10.661 1.00 0.00 C ATOM 202 C PRO A 16 -7.622 0.653 -9.298 1.00 0.00 C ATOM 203 O PRO A 16 -6.801 0.910 -8.419 1.00 0.00 O ATOM 204 CB PRO A 16 -7.305 -1.384 -10.730 1.00 0.00 C ATOM 205 CG PRO A 16 -5.955 -1.900 -10.369 1.00 0.00 C ATOM 206 CD PRO A 16 -4.972 -0.890 -10.894 1.00 0.00 C ATOM 0 HA PRO A 16 -7.792 0.668 -11.383 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.065 -1.746 -10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.600 -1.711 -11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.857 -2.015 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.781 -2.881 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.090 -0.819 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.624 -1.150 -11.893 1.00 0.00 H new ATOM 214 N ASN A 17 -8.932 0.799 -9.129 1.00 0.00 N ATOM 215 CA ASN A 17 -9.492 1.282 -7.872 1.00 0.00 C ATOM 216 C ASN A 17 -9.614 0.147 -6.859 1.00 0.00 C ATOM 217 O ASN A 17 -9.995 0.366 -5.710 1.00 0.00 O ATOM 218 CB ASN A 17 -10.863 1.917 -8.111 1.00 0.00 C ATOM 219 CG ASN A 17 -11.997 0.923 -7.950 1.00 0.00 C ATOM 220 OD1 ASN A 17 -12.179 0.033 -8.782 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.765 1.069 -6.877 1.00 0.00 N ATOM 0 H ASN A 17 -9.626 0.590 -9.847 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.816 2.035 -7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.005 2.742 -7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.894 2.340 -9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.543 0.429 -6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.577 1.821 -6.214 1.00 0.00 H new ATOM 228 N SER A 18 -9.286 -1.065 -7.295 1.00 0.00 N ATOM 229 CA SER A 18 -9.362 -2.235 -6.428 1.00 0.00 C ATOM 230 C SER A 18 -8.255 -2.206 -5.378 1.00 0.00 C ATOM 231 O SER A 18 -8.487 -2.504 -4.206 1.00 0.00 O ATOM 232 CB SER A 18 -9.261 -3.517 -7.256 1.00 0.00 C ATOM 233 OG SER A 18 -8.213 -3.430 -8.206 1.00 0.00 O ATOM 0 H SER A 18 -8.965 -1.262 -8.243 1.00 0.00 H new ATOM 0 HA SER A 18 -10.325 -2.216 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.088 -4.367 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.206 -3.698 -7.768 1.00 0.00 H new ATOM 0 HG SER A 18 -8.168 -4.263 -8.721 1.00 0.00 H new ATOM 239 N VAL A 19 -7.050 -1.844 -5.807 1.00 0.00 N ATOM 240 CA VAL A 19 -5.907 -1.774 -4.906 1.00 0.00 C ATOM 241 C VAL A 19 -6.141 -0.752 -3.799 1.00 0.00 C ATOM 242 O VAL A 19 -5.945 -1.043 -2.619 1.00 0.00 O ATOM 243 CB VAL A 19 -4.617 -1.408 -5.663 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.352 -2.405 -6.781 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.705 0.008 -6.211 1.00 0.00 C ATOM 0 H VAL A 19 -6.841 -1.595 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.792 -2.764 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.782 -1.452 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.436 -2.130 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.243 -3.404 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.187 -2.396 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.785 0.250 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.550 0.081 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.843 0.709 -5.388 1.00 0.00 H new ATOM 255 N PHE A 20 -6.563 0.446 -4.188 1.00 0.00 N ATOM 256 CA PHE A 20 -6.824 1.513 -3.229 1.00 0.00 C ATOM 257 C PHE A 20 -7.960 1.129 -2.284 1.00 0.00 C ATOM 258 O PHE A 20 -9.129 1.124 -2.671 1.00 0.00 O ATOM 259 CB PHE A 20 -7.171 2.812 -3.960 1.00 0.00 C ATOM 260 CG PHE A 20 -6.166 3.195 -5.009 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.248 2.672 -6.289 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.141 4.079 -4.714 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.325 3.023 -7.257 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.216 4.434 -5.678 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.307 3.905 -6.950 1.00 0.00 C ATOM 0 H PHE A 20 -6.732 0.703 -5.161 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.920 1.666 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.150 2.706 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.251 3.619 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.042 1.982 -6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.064 4.495 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.400 2.608 -8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.422 5.125 -5.436 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.584 4.180 -7.703 1.00 0.00 H new ATOM 275 N VAL A 21 -7.607 0.808 -1.044 1.00 0.00 N ATOM 276 CA VAL A 21 -8.595 0.424 -0.043 1.00 0.00 C ATOM 277 C VAL A 21 -8.888 1.576 0.911 1.00 0.00 C ATOM 278 O VAL A 21 -8.008 2.378 1.220 1.00 0.00 O ATOM 279 CB VAL A 21 -8.124 -0.796 0.771 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.771 -0.521 1.410 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.156 -1.162 1.827 1.00 0.00 C ATOM 0 H VAL A 21 -6.644 0.806 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.506 0.162 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.014 -1.643 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.454 -1.394 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.037 -0.310 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.851 0.339 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.807 -2.026 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.299 -0.319 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.102 -1.404 1.343 1.00 0.00 H new ATOM 291 N ASN A 22 -10.131 1.651 1.376 1.00 0.00 N ATOM 292 CA ASN A 22 -10.541 2.705 2.296 1.00 0.00 C ATOM 293 C ASN A 22 -10.238 2.315 3.740 1.00 0.00 C ATOM 294 O ASN A 22 -10.918 2.754 4.669 1.00 0.00 O ATOM 295 CB ASN A 22 -12.034 2.998 2.137 1.00 0.00 C ATOM 296 CG ASN A 22 -12.400 4.398 2.589 1.00 0.00 C ATOM 297 OD1 ASN A 22 -13.178 4.576 3.527 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.840 5.400 1.922 1.00 0.00 N ATOM 0 H ASN A 22 -10.872 0.994 1.130 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.974 3.604 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.317 2.871 1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.607 2.272 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.049 6.364 2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.201 5.205 1.151 1.00 0.00 H new ATOM 305 N THR A 23 -9.213 1.488 3.922 1.00 0.00 N ATOM 306 CA THR A 23 -8.821 1.039 5.251 1.00 0.00 C ATOM 307 C THR A 23 -7.517 1.695 5.691 1.00 0.00 C ATOM 308 O THR A 23 -6.559 1.774 4.921 1.00 0.00 O ATOM 309 CB THR A 23 -8.654 -0.492 5.300 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.824 -0.961 6.642 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.284 -0.904 4.783 1.00 0.00 C ATOM 0 H THR A 23 -8.640 1.116 3.165 1.00 0.00 H new ATOM 0 HA THR A 23 -9.620 1.332 5.932 1.00 0.00 H new ATOM 0 HB THR A 23 -9.415 -0.939 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.962 -1.269 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.190 -1.989 4.827 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.169 -0.572 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.510 -0.447 5.399 1.00 0.00 H new ATOM 319 N THR A 24 -7.486 2.164 6.934 1.00 0.00 N ATOM 320 CA THR A 24 -6.299 2.814 7.476 1.00 0.00 C ATOM 321 C THR A 24 -5.643 1.953 8.549 1.00 0.00 C ATOM 322 O THR A 24 -5.032 2.470 9.484 1.00 0.00 O ATOM 323 CB THR A 24 -6.638 4.192 8.075 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.509 4.036 9.201 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.297 5.087 7.037 1.00 0.00 C ATOM 0 H THR A 24 -8.269 2.106 7.585 1.00 0.00 H new ATOM 0 HA THR A 24 -5.604 2.948 6.647 1.00 0.00 H new ATOM 0 HB THR A 24 -5.709 4.662 8.398 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.718 4.916 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.527 6.054 7.484 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.619 5.228 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.218 4.621 6.687 1.00 0.00 H new ATOM 333 N GLU A 25 -5.772 0.638 8.408 1.00 0.00 N ATOM 334 CA GLU A 25 -5.191 -0.294 9.366 1.00 0.00 C ATOM 335 C GLU A 25 -4.436 -1.411 8.651 1.00 0.00 C ATOM 336 O GLU A 25 -4.860 -1.884 7.597 1.00 0.00 O ATOM 337 CB GLU A 25 -6.282 -0.891 10.258 1.00 0.00 C ATOM 338 CG GLU A 25 -7.005 0.140 11.108 1.00 0.00 C ATOM 339 CD GLU A 25 -7.506 -0.433 12.419 1.00 0.00 C ATOM 340 OE1 GLU A 25 -8.610 -1.018 12.428 1.00 0.00 O ATOM 341 OE2 GLU A 25 -6.795 -0.296 13.436 1.00 0.00 O ATOM 0 H GLU A 25 -6.274 0.194 7.639 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.486 0.258 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.009 -1.408 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.835 -1.640 10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.332 0.973 11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.848 0.542 10.546 1.00 0.00 H new ATOM 348 N SER A 26 -3.315 -1.826 9.232 1.00 0.00 N ATOM 349 CA SER A 26 -2.498 -2.884 8.648 1.00 0.00 C ATOM 350 C SER A 26 -3.069 -4.258 8.983 1.00 0.00 C ATOM 351 O SER A 26 -2.860 -5.225 8.249 1.00 0.00 O ATOM 352 CB SER A 26 -1.057 -2.781 9.152 1.00 0.00 C ATOM 353 OG SER A 26 -0.990 -2.988 10.552 1.00 0.00 O ATOM 0 H SER A 26 -2.952 -1.446 10.106 1.00 0.00 H new ATOM 0 HA SER A 26 -2.506 -2.760 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.437 -3.518 8.642 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.652 -1.799 8.907 1.00 0.00 H new ATOM 0 HG SER A 26 -0.059 -2.919 10.849 1.00 0.00 H new ATOM 359 N CYS A 27 -3.790 -4.337 10.096 1.00 0.00 N ATOM 360 CA CYS A 27 -4.391 -5.593 10.530 1.00 0.00 C ATOM 361 C CYS A 27 -5.473 -6.044 9.554 1.00 0.00 C ATOM 362 O CYS A 27 -5.625 -7.236 9.288 1.00 0.00 O ATOM 363 CB CYS A 27 -4.983 -5.442 11.932 1.00 0.00 C ATOM 364 SG CYS A 27 -3.747 -5.314 13.245 1.00 0.00 S ATOM 0 H CYS A 27 -3.973 -3.546 10.714 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.609 -6.352 10.554 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.615 -4.554 11.954 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.628 -6.297 12.137 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.345 -5.187 14.393 1.00 0.00 H new ATOM 370 N GLU A 28 -6.224 -5.082 9.025 1.00 0.00 N ATOM 371 CA GLU A 28 -7.294 -5.382 8.080 1.00 0.00 C ATOM 372 C GLU A 28 -6.724 -5.820 6.734 1.00 0.00 C ATOM 373 O GLU A 28 -7.076 -6.879 6.213 1.00 0.00 O ATOM 374 CB GLU A 28 -8.195 -4.159 7.892 1.00 0.00 C ATOM 375 CG GLU A 28 -9.243 -4.338 6.806 1.00 0.00 C ATOM 376 CD GLU A 28 -10.354 -5.284 7.218 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.060 -6.277 7.916 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.517 -5.032 6.842 1.00 0.00 O ATOM 0 H GLU A 28 -6.111 -4.090 9.234 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.886 -6.201 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.695 -3.938 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.576 -3.295 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.671 -3.367 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.764 -4.717 5.903 1.00 0.00 H new ATOM 385 N VAL A 29 -5.842 -4.997 6.175 1.00 0.00 N ATOM 386 CA VAL A 29 -5.223 -5.299 4.890 1.00 0.00 C ATOM 387 C VAL A 29 -4.903 -6.784 4.770 1.00 0.00 C ATOM 388 O VAL A 29 -5.388 -7.462 3.865 1.00 0.00 O ATOM 389 CB VAL A 29 -3.929 -4.488 4.687 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.220 -4.924 3.414 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.234 -2.998 4.653 1.00 0.00 C ATOM 0 H VAL A 29 -5.540 -4.116 6.592 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.942 -5.022 4.119 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.264 -4.681 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.308 -4.340 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.967 -5.982 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.876 -4.763 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.309 -2.440 4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.918 -2.785 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.695 -2.699 5.595 1.00 0.00 H new ATOM 401 N GLU A 30 -4.082 -7.284 5.689 1.00 0.00 N ATOM 402 CA GLU A 30 -3.697 -8.690 5.684 1.00 0.00 C ATOM 403 C GLU A 30 -4.925 -9.590 5.583 1.00 0.00 C ATOM 404 O GLU A 30 -4.942 -10.552 4.814 1.00 0.00 O ATOM 405 CB GLU A 30 -2.906 -9.029 6.949 1.00 0.00 C ATOM 406 CG GLU A 30 -2.763 -10.522 7.196 1.00 0.00 C ATOM 407 CD GLU A 30 -3.942 -11.102 7.954 1.00 0.00 C ATOM 408 OE1 GLU A 30 -3.907 -11.092 9.202 1.00 0.00 O ATOM 409 OE2 GLU A 30 -4.898 -11.568 7.299 1.00 0.00 O ATOM 0 H GLU A 30 -3.671 -6.737 6.445 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.067 -8.865 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.913 -8.585 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.398 -8.573 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.661 -11.037 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.847 -10.708 7.758 1.00 0.00 H new ATOM 416 N ARG A 31 -5.951 -9.271 6.365 1.00 0.00 N ATOM 417 CA ARG A 31 -7.183 -10.051 6.366 1.00 0.00 C ATOM 418 C ARG A 31 -7.835 -10.039 4.986 1.00 0.00 C ATOM 419 O ARG A 31 -8.150 -11.090 4.427 1.00 0.00 O ATOM 420 CB ARG A 31 -8.159 -9.502 7.408 1.00 0.00 C ATOM 421 CG ARG A 31 -9.313 -10.442 7.716 1.00 0.00 C ATOM 422 CD ARG A 31 -8.825 -11.731 8.358 1.00 0.00 C ATOM 423 NE ARG A 31 -9.860 -12.363 9.173 1.00 0.00 N ATOM 424 CZ ARG A 31 -9.809 -13.628 9.574 1.00 0.00 C ATOM 425 NH1 ARG A 31 -8.780 -14.393 9.237 1.00 0.00 N ATOM 426 NH2 ARG A 31 -10.789 -14.130 10.314 1.00 0.00 N ATOM 0 H ARG A 31 -5.954 -8.478 7.006 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.931 -11.080 6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.615 -9.294 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.560 -8.552 7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.019 -9.947 8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.851 -10.673 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.503 -12.424 7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.954 -11.520 8.978 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.666 -11.802 9.449 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.025 -14.010 8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.744 -15.364 9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.582 -13.544 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.749 -15.102 10.622 1.00 0.00 H new ATOM 440 N LEU A 32 -8.036 -8.843 4.443 1.00 0.00 N ATOM 441 CA LEU A 32 -8.651 -8.693 3.129 1.00 0.00 C ATOM 442 C LEU A 32 -7.988 -9.613 2.109 1.00 0.00 C ATOM 443 O LEU A 32 -8.658 -10.397 1.437 1.00 0.00 O ATOM 444 CB LEU A 32 -8.553 -7.240 2.661 1.00 0.00 C ATOM 445 CG LEU A 32 -9.001 -6.179 3.667 1.00 0.00 C ATOM 446 CD1 LEU A 32 -8.755 -4.783 3.116 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.470 -6.364 4.018 1.00 0.00 C ATOM 0 H LEU A 32 -7.782 -7.963 4.892 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.701 -8.971 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.518 -7.037 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.151 -7.130 1.756 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.412 -6.297 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.080 -4.041 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.691 -4.653 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.317 -4.653 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.772 -5.600 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.074 -6.273 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.618 -7.351 4.456 1.00 0.00 H new ATOM 459 N PHE A 33 -6.667 -9.514 2.001 1.00 0.00 N ATOM 460 CA PHE A 33 -5.913 -10.339 1.064 1.00 0.00 C ATOM 461 C PHE A 33 -6.358 -11.796 1.142 1.00 0.00 C ATOM 462 O PHE A 33 -6.877 -12.352 0.173 1.00 0.00 O ATOM 463 CB PHE A 33 -4.414 -10.236 1.354 1.00 0.00 C ATOM 464 CG PHE A 33 -3.787 -8.978 0.826 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.516 -7.801 0.756 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.468 -8.971 0.400 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.941 -6.642 0.269 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.888 -7.814 -0.086 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.625 -6.648 -0.151 1.00 0.00 C ATOM 0 H PHE A 33 -6.097 -8.871 2.550 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.108 -9.971 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.256 -10.287 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.907 -11.096 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.544 -7.789 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.887 -9.880 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.520 -5.732 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.859 -7.822 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.174 -5.743 -0.529 1.00 0.00 H new ATOM 479 N LYS A 34 -6.152 -12.411 2.302 1.00 0.00 N ATOM 480 CA LYS A 34 -6.531 -13.803 2.509 1.00 0.00 C ATOM 481 C LYS A 34 -8.031 -13.994 2.307 1.00 0.00 C ATOM 482 O LYS A 34 -8.510 -15.119 2.168 1.00 0.00 O ATOM 483 CB LYS A 34 -6.133 -14.259 3.914 1.00 0.00 C ATOM 484 CG LYS A 34 -4.649 -14.116 4.203 1.00 0.00 C ATOM 485 CD LYS A 34 -4.348 -14.296 5.681 1.00 0.00 C ATOM 486 CE LYS A 34 -2.899 -13.961 6.000 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.640 -13.959 7.466 1.00 0.00 N ATOM 0 H LYS A 34 -5.724 -11.966 3.114 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.002 -14.410 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.695 -13.680 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.421 -15.302 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.092 -14.854 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.307 -13.133 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.008 -13.657 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.557 -15.325 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.244 -14.686 5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.653 -12.983 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.943 -13.222 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.526 -13.767 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.270 -14.887 7.754 1.00 0.00 H new ATOM 501 N ALA A 35 -8.767 -12.887 2.290 1.00 0.00 N ATOM 502 CA ALA A 35 -10.212 -12.933 2.101 1.00 0.00 C ATOM 503 C ALA A 35 -10.569 -13.041 0.623 1.00 0.00 C ATOM 504 O ALA A 35 -11.199 -14.009 0.194 1.00 0.00 O ATOM 505 CB ALA A 35 -10.863 -11.703 2.715 1.00 0.00 C ATOM 0 H ALA A 35 -8.386 -11.948 2.405 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.592 -13.822 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.942 -11.750 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.644 -11.670 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.470 -10.806 2.236 1.00 0.00 H new ATOM 511 N THR A 36 -10.164 -12.041 -0.154 1.00 0.00 N ATOM 512 CA THR A 36 -10.443 -12.022 -1.584 1.00 0.00 C ATOM 513 C THR A 36 -10.159 -13.380 -2.218 1.00 0.00 C ATOM 514 O THR A 36 -10.710 -13.714 -3.266 1.00 0.00 O ATOM 515 CB THR A 36 -9.608 -10.947 -2.306 1.00 0.00 C ATOM 516 OG1 THR A 36 -9.852 -11.003 -3.716 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.124 -11.141 -2.034 1.00 0.00 C ATOM 0 H THR A 36 -9.641 -11.233 0.184 1.00 0.00 H new ATOM 0 HA THR A 36 -11.501 -11.785 -1.696 1.00 0.00 H new ATOM 0 HB THR A 36 -9.906 -9.970 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.319 -10.316 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.555 -10.370 -2.554 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.938 -11.068 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.814 -12.123 -2.390 1.00 0.00 H new ATOM 525 N SER A 37 -9.295 -14.159 -1.574 1.00 0.00 N ATOM 526 CA SER A 37 -8.936 -15.479 -2.076 1.00 0.00 C ATOM 527 C SER A 37 -9.997 -16.510 -1.703 1.00 0.00 C ATOM 528 O SER A 37 -10.540 -16.507 -0.599 1.00 0.00 O ATOM 529 CB SER A 37 -7.576 -15.907 -1.520 1.00 0.00 C ATOM 530 OG SER A 37 -7.492 -15.655 -0.129 1.00 0.00 O ATOM 0 H SER A 37 -8.831 -13.898 -0.704 1.00 0.00 H new ATOM 0 HA SER A 37 -8.875 -15.422 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.420 -16.969 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.782 -15.370 -2.039 1.00 0.00 H new ATOM 0 HG SER A 37 -8.394 -15.557 0.241 1.00 0.00 H new ATOM 536 N PRO A 38 -10.300 -17.414 -2.647 1.00 0.00 N ATOM 537 CA PRO A 38 -11.298 -18.468 -2.442 1.00 0.00 C ATOM 538 C PRO A 38 -10.831 -19.522 -1.444 1.00 0.00 C ATOM 539 O PRO A 38 -11.590 -19.944 -0.572 1.00 0.00 O ATOM 540 CB PRO A 38 -11.455 -19.083 -3.835 1.00 0.00 C ATOM 541 CG PRO A 38 -10.164 -18.800 -4.522 1.00 0.00 C ATOM 542 CD PRO A 38 -9.691 -17.476 -3.987 1.00 0.00 C ATOM 0 HA PRO A 38 -12.226 -18.075 -2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.645 -20.155 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.294 -18.640 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.435 -19.585 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.298 -18.759 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.603 -17.428 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.018 -16.648 -4.616 1.00 0.00 H new ATOM 550 N ARG A 39 -9.577 -19.942 -1.577 1.00 0.00 N ATOM 551 CA ARG A 39 -9.009 -20.948 -0.687 1.00 0.00 C ATOM 552 C ARG A 39 -8.612 -20.328 0.649 1.00 0.00 C ATOM 553 O ARG A 39 -8.526 -21.018 1.664 1.00 0.00 O ATOM 554 CB ARG A 39 -7.792 -21.607 -1.338 1.00 0.00 C ATOM 555 CG ARG A 39 -8.138 -22.473 -2.538 1.00 0.00 C ATOM 556 CD ARG A 39 -6.919 -23.222 -3.054 1.00 0.00 C ATOM 557 NE ARG A 39 -7.265 -24.164 -4.116 1.00 0.00 N ATOM 558 CZ ARG A 39 -6.404 -24.581 -5.037 1.00 0.00 C ATOM 559 NH1 ARG A 39 -5.153 -24.142 -5.027 1.00 0.00 N ATOM 560 NH2 ARG A 39 -6.793 -25.440 -5.971 1.00 0.00 N ATOM 0 H ARG A 39 -8.935 -19.601 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.769 -21.707 -0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.093 -20.831 -1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.279 -22.218 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.915 -23.186 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.546 -21.849 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.186 -22.507 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.449 -23.760 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.220 -24.521 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.850 -23.482 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.494 -24.464 -5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.754 -25.781 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.131 -25.759 -6.678 1.00 0.00 H new ATOM 574 N GLY A 40 -8.369 -19.021 0.641 1.00 0.00 N ATOM 575 CA GLY A 40 -7.983 -18.330 1.858 1.00 0.00 C ATOM 576 C GLY A 40 -6.494 -18.051 1.918 1.00 0.00 C ATOM 577 O GLY A 40 -5.916 -17.964 3.001 1.00 0.00 O ATOM 0 H GLY A 40 -8.432 -18.428 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.529 -17.389 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.272 -18.930 2.721 1.00 0.00 H new ATOM 581 N GLU A 41 -5.872 -17.911 0.752 1.00 0.00 N ATOM 582 CA GLU A 41 -4.441 -17.643 0.677 1.00 0.00 C ATOM 583 C GLU A 41 -4.115 -16.759 -0.523 1.00 0.00 C ATOM 584 O GLU A 41 -4.386 -17.106 -1.673 1.00 0.00 O ATOM 585 CB GLU A 41 -3.657 -18.954 0.587 1.00 0.00 C ATOM 586 CG GLU A 41 -4.013 -19.793 -0.630 1.00 0.00 C ATOM 587 CD GLU A 41 -3.430 -21.191 -0.565 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.187 -21.317 -0.585 1.00 0.00 O ATOM 589 OE2 GLU A 41 -4.215 -22.159 -0.494 1.00 0.00 O ATOM 0 H GLU A 41 -6.337 -17.979 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.149 -17.116 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.591 -18.729 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.840 -19.540 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.098 -19.859 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.652 -19.294 -1.529 1.00 0.00 H new ATOM 596 N PRO A 42 -3.519 -15.589 -0.251 1.00 0.00 N ATOM 597 CA PRO A 42 -3.142 -14.631 -1.295 1.00 0.00 C ATOM 598 C PRO A 42 -1.985 -15.132 -2.152 1.00 0.00 C ATOM 599 O PRO A 42 -1.231 -16.012 -1.738 1.00 0.00 O ATOM 600 CB PRO A 42 -2.722 -13.390 -0.502 1.00 0.00 C ATOM 601 CG PRO A 42 -2.295 -13.915 0.825 1.00 0.00 C ATOM 602 CD PRO A 42 -3.166 -15.111 1.096 1.00 0.00 C ATOM 0 HA PRO A 42 -3.957 -14.451 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.909 -12.860 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.548 -12.686 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.241 -14.194 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.417 -13.160 1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.635 -15.873 1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.052 -14.841 1.671 1.00 0.00 H new ATOM 610 N GLN A 43 -1.853 -14.567 -3.348 1.00 0.00 N ATOM 611 CA GLN A 43 -0.787 -14.958 -4.263 1.00 0.00 C ATOM 612 C GLN A 43 0.450 -14.089 -4.062 1.00 0.00 C ATOM 613 O GLN A 43 0.344 -12.882 -3.842 1.00 0.00 O ATOM 614 CB GLN A 43 -1.267 -14.854 -5.712 1.00 0.00 C ATOM 615 CG GLN A 43 -2.360 -15.851 -6.063 1.00 0.00 C ATOM 616 CD GLN A 43 -3.752 -15.295 -5.834 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.545 -15.865 -5.083 1.00 0.00 O ATOM 618 NE2 GLN A 43 -4.057 -14.176 -6.481 1.00 0.00 N ATOM 0 H GLN A 43 -2.470 -13.838 -3.706 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.520 -15.993 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.636 -13.844 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.419 -15.007 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.257 -16.144 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.230 -16.753 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.369 -13.737 -7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.979 -13.755 -6.366 1.00 0.00 H new ATOM 627 N ASP A 44 1.622 -14.710 -4.138 1.00 0.00 N ATOM 628 CA ASP A 44 2.880 -13.993 -3.964 1.00 0.00 C ATOM 629 C ASP A 44 2.936 -12.767 -4.871 1.00 0.00 C ATOM 630 O ASP A 44 2.729 -12.866 -6.080 1.00 0.00 O ATOM 631 CB ASP A 44 4.063 -14.916 -4.260 1.00 0.00 C ATOM 632 CG ASP A 44 5.398 -14.222 -4.079 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.721 -13.845 -2.933 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.121 -14.056 -5.084 1.00 0.00 O ATOM 0 H ASP A 44 1.727 -15.708 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 44 2.940 -13.660 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.016 -15.784 -3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.985 -15.286 -5.282 1.00 0.00 H new ATOM 639 N GLY A 45 3.216 -11.610 -4.278 1.00 0.00 N ATOM 640 CA GLY A 45 3.294 -10.382 -5.046 1.00 0.00 C ATOM 641 C GLY A 45 2.084 -9.492 -4.839 1.00 0.00 C ATOM 642 O GLY A 45 2.093 -8.321 -5.222 1.00 0.00 O ATOM 0 H GLY A 45 3.390 -11.502 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.195 -9.837 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.386 -10.624 -6.105 1.00 0.00 H new ATOM 646 N LEU A 46 1.040 -10.046 -4.234 1.00 0.00 N ATOM 647 CA LEU A 46 -0.184 -9.295 -3.977 1.00 0.00 C ATOM 648 C LEU A 46 0.128 -7.953 -3.322 1.00 0.00 C ATOM 649 O LEU A 46 0.507 -7.895 -2.152 1.00 0.00 O ATOM 650 CB LEU A 46 -1.125 -10.104 -3.084 1.00 0.00 C ATOM 651 CG LEU A 46 -2.617 -9.811 -3.242 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.050 -10.008 -4.686 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.436 -10.696 -2.313 1.00 0.00 C ATOM 0 H LEU A 46 1.016 -11.013 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.673 -9.107 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.960 -11.163 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.849 -9.927 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.794 -8.770 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.115 -9.795 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.487 -9.332 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.859 -11.038 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.496 -10.474 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.254 -11.743 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.146 -10.506 -1.280 1.00 0.00 H new ATOM 665 N TYR A 47 -0.035 -6.877 -4.084 1.00 0.00 N ATOM 666 CA TYR A 47 0.230 -5.535 -3.578 1.00 0.00 C ATOM 667 C TYR A 47 -1.038 -4.687 -3.594 1.00 0.00 C ATOM 668 O TYR A 47 -2.004 -5.008 -4.288 1.00 0.00 O ATOM 669 CB TYR A 47 1.320 -4.859 -4.411 1.00 0.00 C ATOM 670 CG TYR A 47 0.924 -4.626 -5.852 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.047 -5.635 -6.799 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.424 -3.397 -6.265 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.688 -5.426 -8.116 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.061 -3.179 -7.580 1.00 0.00 C ATOM 675 CZ TYR A 47 0.195 -4.197 -8.502 1.00 0.00 C ATOM 676 OH TYR A 47 -0.166 -3.985 -9.813 1.00 0.00 O ATOM 0 H TYR A 47 -0.349 -6.908 -5.054 1.00 0.00 H new ATOM 0 HA TYR A 47 0.573 -5.624 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.574 -3.903 -3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.219 -5.474 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.430 -6.600 -6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.317 -2.599 -5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.793 -6.221 -8.840 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.325 -2.218 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.495 -3.068 -9.918 1.00 0.00 H new ATOM 686 N CYS A 48 -1.027 -3.604 -2.826 1.00 0.00 N ATOM 687 CA CYS A 48 -2.176 -2.708 -2.750 1.00 0.00 C ATOM 688 C CYS A 48 -1.764 -1.340 -2.217 1.00 0.00 C ATOM 689 O CYS A 48 -0.582 -1.080 -1.992 1.00 0.00 O ATOM 690 CB CYS A 48 -3.262 -3.311 -1.857 1.00 0.00 C ATOM 691 SG CYS A 48 -3.104 -2.878 -0.109 1.00 0.00 S ATOM 0 H CYS A 48 -0.235 -3.324 -2.247 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.573 -2.581 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.237 -2.981 -2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.237 -4.396 -1.955 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.068 -3.433 0.564 1.00 0.00 H new ATOM 697 N ILE A 49 -2.747 -0.468 -2.019 1.00 0.00 N ATOM 698 CA ILE A 49 -2.487 0.874 -1.513 1.00 0.00 C ATOM 699 C ILE A 49 -3.539 1.291 -0.492 1.00 0.00 C ATOM 700 O ILE A 49 -4.691 1.548 -0.842 1.00 0.00 O ATOM 701 CB ILE A 49 -2.456 1.909 -2.653 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.361 1.557 -3.662 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.238 3.307 -2.094 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.499 2.283 -4.982 1.00 0.00 C ATOM 0 H ILE A 49 -3.731 -0.667 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.509 0.845 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.417 1.890 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.389 1.791 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.378 0.482 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.219 4.027 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.050 3.556 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.289 3.341 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.689 1.985 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.456 2.030 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.452 3.359 -4.812 1.00 0.00 H new ATOM 716 N ARG A 50 -3.135 1.357 0.772 1.00 0.00 N ATOM 717 CA ARG A 50 -4.044 1.744 1.845 1.00 0.00 C ATOM 718 C ARG A 50 -3.806 3.191 2.264 1.00 0.00 C ATOM 719 O ARG A 50 -2.887 3.846 1.775 1.00 0.00 O ATOM 720 CB ARG A 50 -3.867 0.817 3.050 1.00 0.00 C ATOM 721 CG ARG A 50 -2.613 1.103 3.860 1.00 0.00 C ATOM 722 CD ARG A 50 -2.343 0.005 4.876 1.00 0.00 C ATOM 723 NE ARG A 50 -1.534 0.480 5.994 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.786 -0.315 6.751 1.00 0.00 C ATOM 725 NH1 ARG A 50 -0.745 -1.618 6.510 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.077 0.193 7.751 1.00 0.00 N ATOM 0 H ARG A 50 -2.185 1.148 1.079 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.065 1.655 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.738 0.909 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.837 -0.216 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.759 1.197 3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.721 2.058 4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.290 -0.381 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.833 -0.824 4.386 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.543 1.478 6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.288 -2.012 5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.170 -2.227 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.106 1.195 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.497 -0.419 8.332 1.00 0.00 H new ATOM 740 N ASN A 51 -4.641 3.684 3.173 1.00 0.00 N ATOM 741 CA ASN A 51 -4.523 5.055 3.657 1.00 0.00 C ATOM 742 C ASN A 51 -3.609 5.124 4.877 1.00 0.00 C ATOM 743 O ASN A 51 -3.539 4.182 5.667 1.00 0.00 O ATOM 744 CB ASN A 51 -5.902 5.615 4.007 1.00 0.00 C ATOM 745 CG ASN A 51 -6.596 6.234 2.809 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.718 7.455 2.711 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.053 5.392 1.890 1.00 0.00 N ATOM 0 H ASN A 51 -5.407 3.154 3.589 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.085 5.658 2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.524 4.816 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.798 6.365 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.528 5.750 1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.929 4.387 2.013 1.00 0.00 H new ATOM 754 N SER A 52 -2.911 6.245 5.024 1.00 0.00 N ATOM 755 CA SER A 52 -1.999 6.436 6.146 1.00 0.00 C ATOM 756 C SER A 52 -2.671 7.229 7.263 1.00 0.00 C ATOM 757 O SER A 52 -3.531 8.073 7.010 1.00 0.00 O ATOM 758 CB SER A 52 -0.732 7.158 5.683 1.00 0.00 C ATOM 759 OG SER A 52 0.071 7.537 6.788 1.00 0.00 O ATOM 0 H SER A 52 -2.959 7.035 4.380 1.00 0.00 H new ATOM 0 HA SER A 52 -1.728 5.454 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.161 6.508 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.003 8.042 5.106 1.00 0.00 H new ATOM 0 HG SER A 52 0.875 7.995 6.466 1.00 0.00 H new ATOM 765 N SER A 53 -2.272 6.951 8.500 1.00 0.00 N ATOM 766 CA SER A 53 -2.837 7.635 9.657 1.00 0.00 C ATOM 767 C SER A 53 -2.077 8.924 9.951 1.00 0.00 C ATOM 768 O SER A 53 -2.666 10.002 10.034 1.00 0.00 O ATOM 769 CB SER A 53 -2.805 6.720 10.883 1.00 0.00 C ATOM 770 OG SER A 53 -1.499 6.215 11.109 1.00 0.00 O ATOM 0 H SER A 53 -1.560 6.257 8.727 1.00 0.00 H new ATOM 0 HA SER A 53 -3.872 7.888 9.428 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.142 7.271 11.761 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.499 5.892 10.741 1.00 0.00 H new ATOM 0 HG SER A 53 -1.505 5.635 11.899 1.00 0.00 H new ATOM 776 N THR A 54 -0.762 8.806 10.109 1.00 0.00 N ATOM 777 CA THR A 54 0.080 9.960 10.395 1.00 0.00 C ATOM 778 C THR A 54 -0.288 11.144 9.508 1.00 0.00 C ATOM 779 O THR A 54 -0.691 12.199 9.997 1.00 0.00 O ATOM 780 CB THR A 54 1.572 9.630 10.197 1.00 0.00 C ATOM 781 OG1 THR A 54 1.961 8.573 11.081 1.00 0.00 O ATOM 782 CG2 THR A 54 2.436 10.856 10.454 1.00 0.00 C ATOM 0 H THR A 54 -0.257 7.922 10.044 1.00 0.00 H new ATOM 0 HA THR A 54 -0.091 10.224 11.438 1.00 0.00 H new ATOM 0 HB THR A 54 1.717 9.312 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.910 8.368 10.948 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.485 10.599 10.308 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.157 11.649 9.761 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.285 11.199 11.478 1.00 0.00 H new ATOM 790 N LYS A 55 -0.149 10.962 8.199 1.00 0.00 N ATOM 791 CA LYS A 55 -0.469 12.013 7.241 1.00 0.00 C ATOM 792 C LYS A 55 -1.599 11.579 6.314 1.00 0.00 C ATOM 793 O LYS A 55 -1.989 10.411 6.300 1.00 0.00 O ATOM 794 CB LYS A 55 0.769 12.377 6.418 1.00 0.00 C ATOM 795 CG LYS A 55 1.677 13.386 7.098 1.00 0.00 C ATOM 796 CD LYS A 55 3.097 13.309 6.562 1.00 0.00 C ATOM 797 CE LYS A 55 4.067 14.086 7.440 1.00 0.00 C ATOM 798 NZ LYS A 55 4.587 13.256 8.561 1.00 0.00 N ATOM 0 H LYS A 55 0.184 10.095 7.777 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.797 12.890 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.338 11.470 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.450 12.778 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.284 14.391 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.683 13.205 8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.410 12.266 6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.126 13.705 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.901 14.441 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.567 14.967 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.244 13.821 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.794 12.938 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.086 12.428 8.177 1.00 0.00 H new ATOM 812 N SER A 56 -2.121 12.525 5.540 1.00 0.00 N ATOM 813 CA SER A 56 -3.208 12.240 4.611 1.00 0.00 C ATOM 814 C SER A 56 -2.670 11.664 3.305 1.00 0.00 C ATOM 815 O SER A 56 -3.074 12.076 2.218 1.00 0.00 O ATOM 816 CB SER A 56 -4.012 13.511 4.328 1.00 0.00 C ATOM 817 OG SER A 56 -3.208 14.493 3.697 1.00 0.00 O ATOM 0 H SER A 56 -1.808 13.496 5.538 1.00 0.00 H new ATOM 0 HA SER A 56 -3.862 11.500 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.865 13.272 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.411 13.908 5.261 1.00 0.00 H new ATOM 0 HG SER A 56 -3.745 15.295 3.525 1.00 0.00 H new ATOM 823 N GLY A 57 -1.754 10.707 3.420 1.00 0.00 N ATOM 824 CA GLY A 57 -1.174 10.089 2.242 1.00 0.00 C ATOM 825 C GLY A 57 -1.578 8.636 2.091 1.00 0.00 C ATOM 826 O GLY A 57 -2.654 8.234 2.533 1.00 0.00 O ATOM 0 H GLY A 57 -1.403 10.349 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.483 10.643 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.088 10.157 2.298 1.00 0.00 H new ATOM 830 N LYS A 58 -0.714 7.846 1.463 1.00 0.00 N ATOM 831 CA LYS A 58 -0.986 6.429 1.254 1.00 0.00 C ATOM 832 C LYS A 58 0.252 5.588 1.549 1.00 0.00 C ATOM 833 O LYS A 58 1.378 6.084 1.500 1.00 0.00 O ATOM 834 CB LYS A 58 -1.450 6.184 -0.184 1.00 0.00 C ATOM 835 CG LYS A 58 -2.715 6.941 -0.552 1.00 0.00 C ATOM 836 CD LYS A 58 -3.960 6.124 -0.252 1.00 0.00 C ATOM 837 CE LYS A 58 -5.140 6.575 -1.100 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.598 7.943 -0.730 1.00 0.00 N ATOM 0 H LYS A 58 0.181 8.163 1.090 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.778 6.132 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.652 6.472 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.621 5.117 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.752 7.880 0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.692 7.196 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.758 5.069 -0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.212 6.218 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.858 6.559 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.964 5.871 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.403 8.214 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.891 7.953 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.820 8.619 -0.869 1.00 0.00 H new ATOM 852 N VAL A 59 0.036 4.312 1.854 1.00 0.00 N ATOM 853 CA VAL A 59 1.135 3.402 2.155 1.00 0.00 C ATOM 854 C VAL A 59 1.034 2.127 1.326 1.00 0.00 C ATOM 855 O VAL A 59 0.095 1.345 1.480 1.00 0.00 O ATOM 856 CB VAL A 59 1.161 3.028 3.649 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.292 2.052 3.936 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.293 4.277 4.508 1.00 0.00 C ATOM 0 H VAL A 59 -0.889 3.885 1.899 1.00 0.00 H new ATOM 0 HA VAL A 59 2.057 3.925 1.903 1.00 0.00 H new ATOM 0 HB VAL A 59 0.219 2.539 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.294 1.799 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.149 1.146 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.244 2.510 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.310 3.995 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.218 4.795 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.446 4.937 4.323 1.00 0.00 H new ATOM 868 N LEU A 60 2.008 1.922 0.445 1.00 0.00 N ATOM 869 CA LEU A 60 2.031 0.740 -0.410 1.00 0.00 C ATOM 870 C LEU A 60 2.313 -0.517 0.407 1.00 0.00 C ATOM 871 O LEU A 60 3.399 -0.678 0.963 1.00 0.00 O ATOM 872 CB LEU A 60 3.087 0.899 -1.504 1.00 0.00 C ATOM 873 CG LEU A 60 3.525 -0.387 -2.207 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.494 -0.806 -3.243 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.890 -0.204 -2.853 1.00 0.00 C ATOM 0 H LEU A 60 2.792 2.559 0.304 1.00 0.00 H new ATOM 0 HA LEU A 60 1.050 0.637 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.701 1.587 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.968 1.368 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 60 3.602 -1.178 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.822 -1.723 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.536 -0.980 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.384 -0.017 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.185 -1.129 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.840 0.601 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.624 0.048 -2.088 1.00 0.00 H new ATOM 887 N VAL A 61 1.328 -1.407 0.472 1.00 0.00 N ATOM 888 CA VAL A 61 1.471 -2.652 1.217 1.00 0.00 C ATOM 889 C VAL A 61 1.529 -3.852 0.277 1.00 0.00 C ATOM 890 O VAL A 61 0.620 -4.071 -0.524 1.00 0.00 O ATOM 891 CB VAL A 61 0.310 -2.848 2.211 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.298 -4.273 2.744 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.409 -1.845 3.350 1.00 0.00 C ATOM 0 H VAL A 61 0.422 -1.289 0.018 1.00 0.00 H new ATOM 0 HA VAL A 61 2.407 -2.583 1.772 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.629 -2.674 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.529 -4.393 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.175 -4.970 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.239 -4.478 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.419 -1.998 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.353 -1.985 3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.364 -0.833 2.948 1.00 0.00 H new ATOM 903 N VAL A 62 2.604 -4.626 0.381 1.00 0.00 N ATOM 904 CA VAL A 62 2.781 -5.805 -0.458 1.00 0.00 C ATOM 905 C VAL A 62 2.757 -7.082 0.375 1.00 0.00 C ATOM 906 O VAL A 62 3.132 -7.077 1.547 1.00 0.00 O ATOM 907 CB VAL A 62 4.104 -5.742 -1.243 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.133 -6.808 -2.328 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.305 -4.357 -1.839 1.00 0.00 C ATOM 0 H VAL A 62 3.366 -4.458 1.038 1.00 0.00 H new ATOM 0 HA VAL A 62 1.949 -5.819 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 62 4.925 -5.938 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.076 -6.748 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.039 -7.794 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.305 -6.647 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.245 -4.331 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.481 -4.129 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.333 -3.617 -1.039 1.00 0.00 H new ATOM 919 N TRP A 63 2.314 -8.173 -0.238 1.00 0.00 N ATOM 920 CA TRP A 63 2.242 -9.459 0.448 1.00 0.00 C ATOM 921 C TRP A 63 3.504 -10.277 0.204 1.00 0.00 C ATOM 922 O TRP A 63 3.922 -10.466 -0.938 1.00 0.00 O ATOM 923 CB TRP A 63 1.013 -10.241 -0.020 1.00 0.00 C ATOM 924 CG TRP A 63 1.033 -11.681 0.395 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.287 -12.761 -0.401 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.786 -12.197 1.708 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.213 -13.917 0.337 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.908 -13.599 1.634 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.475 -11.613 2.938 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.729 -14.421 2.743 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.298 -12.430 4.038 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.426 -13.822 3.935 1.00 0.00 C ATOM 0 H TRP A 63 1.999 -8.194 -1.208 1.00 0.00 H new ATOM 0 HA TRP A 63 2.157 -9.268 1.518 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.116 -9.768 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.947 -10.184 -1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.513 -12.713 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.361 -14.860 -0.023 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.375 -10.541 3.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.826 -15.494 2.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.057 -11.988 4.994 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.283 -14.433 4.814 1.00 0.00 H new ATOM 943 N ASP A 64 4.108 -10.761 1.284 1.00 0.00 N ATOM 944 CA ASP A 64 5.323 -11.561 1.187 1.00 0.00 C ATOM 945 C ASP A 64 5.017 -13.042 1.388 1.00 0.00 C ATOM 946 O ASP A 64 5.223 -13.586 2.472 1.00 0.00 O ATOM 947 CB ASP A 64 6.350 -11.095 2.221 1.00 0.00 C ATOM 948 CG ASP A 64 6.230 -9.616 2.531 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.693 -8.874 1.682 1.00 0.00 O ATOM 950 OD2 ASP A 64 6.672 -9.201 3.622 1.00 0.00 O ATOM 0 H ASP A 64 3.776 -10.613 2.237 1.00 0.00 H new ATOM 0 HA ASP A 64 5.738 -11.427 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.221 -11.667 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.354 -11.306 1.852 1.00 0.00 H new ATOM 955 N GLU A 65 4.522 -13.686 0.336 1.00 0.00 N ATOM 956 CA GLU A 65 4.185 -15.104 0.398 1.00 0.00 C ATOM 957 C GLU A 65 5.348 -15.915 0.961 1.00 0.00 C ATOM 958 O GLU A 65 5.150 -16.968 1.569 1.00 0.00 O ATOM 959 CB GLU A 65 3.811 -15.623 -0.992 1.00 0.00 C ATOM 960 CG GLU A 65 3.248 -17.034 -0.983 1.00 0.00 C ATOM 961 CD GLU A 65 1.739 -17.059 -0.829 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.251 -16.769 0.283 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.047 -17.369 -1.821 1.00 0.00 O ATOM 0 H GLU A 65 4.345 -13.249 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 65 3.329 -15.220 1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.077 -14.951 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.694 -15.597 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.523 -17.537 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.702 -17.597 -0.168 1.00 0.00 H new ATOM 970 N THR A 66 6.564 -15.418 0.753 1.00 0.00 N ATOM 971 CA THR A 66 7.760 -16.097 1.237 1.00 0.00 C ATOM 972 C THR A 66 7.783 -16.150 2.760 1.00 0.00 C ATOM 973 O THR A 66 8.274 -17.113 3.349 1.00 0.00 O ATOM 974 CB THR A 66 9.041 -15.401 0.739 1.00 0.00 C ATOM 975 OG1 THR A 66 9.075 -14.047 1.204 1.00 0.00 O ATOM 976 CG2 THR A 66 9.113 -15.422 -0.781 1.00 0.00 C ATOM 0 H THR A 66 6.746 -14.548 0.253 1.00 0.00 H new ATOM 0 HA THR A 66 7.730 -17.112 0.841 1.00 0.00 H new ATOM 0 HB THR A 66 9.900 -15.943 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.893 -13.612 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.026 -14.925 -1.109 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.116 -16.454 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.248 -14.902 -1.193 1.00 0.00 H new ATOM 984 N SER A 67 7.249 -15.110 3.392 1.00 0.00 N ATOM 985 CA SER A 67 7.212 -15.037 4.848 1.00 0.00 C ATOM 986 C SER A 67 5.776 -14.922 5.350 1.00 0.00 C ATOM 987 O SER A 67 5.536 -14.751 6.544 1.00 0.00 O ATOM 988 CB SER A 67 8.034 -13.844 5.341 1.00 0.00 C ATOM 989 OG SER A 67 9.409 -14.175 5.434 1.00 0.00 O ATOM 0 H SER A 67 6.836 -14.306 2.919 1.00 0.00 H new ATOM 0 HA SER A 67 7.644 -15.956 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.905 -13.003 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.667 -13.524 6.316 1.00 0.00 H new ATOM 0 HG SER A 67 9.912 -13.396 5.749 1.00 0.00 H new ATOM 995 N ASN A 68 4.824 -15.017 4.427 1.00 0.00 N ATOM 996 CA ASN A 68 3.411 -14.923 4.774 1.00 0.00 C ATOM 997 C ASN A 68 3.147 -13.706 5.656 1.00 0.00 C ATOM 998 O ASN A 68 2.518 -13.814 6.709 1.00 0.00 O ATOM 999 CB ASN A 68 2.955 -16.195 5.491 1.00 0.00 C ATOM 1000 CG ASN A 68 1.448 -16.364 5.467 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.878 -16.817 4.474 1.00 0.00 O ATOM 1002 ND2 ASN A 68 0.794 -15.998 6.563 1.00 0.00 N ATOM 0 H ASN A 68 5.006 -15.159 3.433 1.00 0.00 H new ATOM 0 HA ASN A 68 2.842 -14.811 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.422 -17.061 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.298 -16.169 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.221 -16.087 6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.307 -15.627 7.363 1.00 0.00 H new ATOM 1009 N LYS A 69 3.632 -12.549 5.219 1.00 0.00 N ATOM 1010 CA LYS A 69 3.449 -11.311 5.967 1.00 0.00 C ATOM 1011 C LYS A 69 3.395 -10.111 5.027 1.00 0.00 C ATOM 1012 O LYS A 69 3.908 -10.162 3.909 1.00 0.00 O ATOM 1013 CB LYS A 69 4.582 -11.129 6.980 1.00 0.00 C ATOM 1014 CG LYS A 69 5.956 -11.019 6.342 1.00 0.00 C ATOM 1015 CD LYS A 69 6.995 -10.529 7.336 1.00 0.00 C ATOM 1016 CE LYS A 69 6.844 -9.041 7.611 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.644 -8.611 8.791 1.00 0.00 N ATOM 0 H LYS A 69 4.155 -12.443 4.350 1.00 0.00 H new ATOM 0 HA LYS A 69 2.501 -11.376 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.391 -10.232 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.578 -11.971 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.255 -11.991 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.911 -10.335 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.898 -11.084 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.994 -10.729 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.158 -8.476 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.793 -8.808 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.514 -7.591 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.327 -9.132 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.650 -8.810 8.619 1.00 0.00 H new ATOM 1031 N VAL A 70 2.773 -9.031 5.489 1.00 0.00 N ATOM 1032 CA VAL A 70 2.655 -7.816 4.690 1.00 0.00 C ATOM 1033 C VAL A 70 3.754 -6.819 5.041 1.00 0.00 C ATOM 1034 O VAL A 70 4.271 -6.818 6.158 1.00 0.00 O ATOM 1035 CB VAL A 70 1.284 -7.144 4.889 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.181 -7.986 4.266 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.016 -6.910 6.368 1.00 0.00 C ATOM 0 H VAL A 70 2.343 -8.972 6.412 1.00 0.00 H new ATOM 0 HA VAL A 70 2.757 -8.112 3.646 1.00 0.00 H new ATOM 0 HB VAL A 70 1.297 -6.176 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.781 -7.495 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.368 -8.098 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.164 -8.969 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.043 -6.434 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.022 -7.864 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.791 -6.263 6.780 1.00 0.00 H new ATOM 1047 N ARG A 71 4.104 -5.971 4.080 1.00 0.00 N ATOM 1048 CA ARG A 71 5.142 -4.968 4.287 1.00 0.00 C ATOM 1049 C ARG A 71 4.538 -3.569 4.368 1.00 0.00 C ATOM 1050 O ARG A 71 3.335 -3.390 4.181 1.00 0.00 O ATOM 1051 CB ARG A 71 6.171 -5.026 3.157 1.00 0.00 C ATOM 1052 CG ARG A 71 6.951 -6.330 3.110 1.00 0.00 C ATOM 1053 CD ARG A 71 7.656 -6.605 4.429 1.00 0.00 C ATOM 1054 NE ARG A 71 8.533 -7.769 4.349 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.428 -8.081 5.280 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.563 -7.319 6.356 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.191 -9.157 5.135 1.00 0.00 N ATOM 0 H ARG A 71 3.684 -5.958 3.150 1.00 0.00 H new ATOM 0 HA ARG A 71 5.639 -5.186 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.661 -4.883 2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.871 -4.198 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.274 -7.152 2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.685 -6.287 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.240 -5.731 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.913 -6.764 5.211 1.00 0.00 H new ATOM 0 HE ARG A 71 8.454 -8.376 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.979 -6.491 6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.251 -7.561 7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.091 -9.746 4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.878 -9.395 5.850 1.00 0.00 H new ATOM 1071 N ASN A 72 5.382 -2.581 4.648 1.00 0.00 N ATOM 1072 CA ASN A 72 4.931 -1.198 4.755 1.00 0.00 C ATOM 1073 C ASN A 72 5.820 -0.271 3.931 1.00 0.00 C ATOM 1074 O ASN A 72 6.956 0.015 4.310 1.00 0.00 O ATOM 1075 CB ASN A 72 4.928 -0.752 6.218 1.00 0.00 C ATOM 1076 CG ASN A 72 4.359 -1.810 7.144 1.00 0.00 C ATOM 1077 OD1 ASN A 72 5.003 -2.214 8.113 1.00 0.00 O ATOM 1078 ND2 ASN A 72 3.147 -2.266 6.848 1.00 0.00 N ATOM 0 H ASN A 72 6.381 -2.712 4.805 1.00 0.00 H new ATOM 0 HA ASN A 72 3.915 -1.142 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.947 -0.515 6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.344 0.163 6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.714 -2.980 7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.650 -1.902 6.035 1.00 0.00 H new ATOM 1085 N TYR A 73 5.295 0.195 2.803 1.00 0.00 N ATOM 1086 CA TYR A 73 6.041 1.088 1.925 1.00 0.00 C ATOM 1087 C TYR A 73 5.362 2.451 1.831 1.00 0.00 C ATOM 1088 O TYR A 73 4.486 2.665 0.993 1.00 0.00 O ATOM 1089 CB TYR A 73 6.171 0.474 0.530 1.00 0.00 C ATOM 1090 CG TYR A 73 6.923 -0.838 0.514 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.301 -0.874 0.684 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.254 -2.042 0.330 1.00 0.00 C ATOM 1093 CE1 TYR A 73 8.992 -2.071 0.669 1.00 0.00 C ATOM 1094 CE2 TYR A 73 6.936 -3.243 0.315 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.305 -3.252 0.485 1.00 0.00 C ATOM 1096 OH TYR A 73 8.989 -4.446 0.471 1.00 0.00 O ATOM 0 H TYR A 73 4.356 -0.031 2.475 1.00 0.00 H new ATOM 0 HA TYR A 73 7.036 1.226 2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.175 0.317 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.679 1.183 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.842 0.049 0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.182 -2.039 0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.064 -2.081 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.401 -4.170 0.171 1.00 0.00 H new ATOM 0 HH TYR A 73 9.934 -4.284 0.676 1.00 0.00 H new ATOM 1106 N ARG A 74 5.775 3.371 2.696 1.00 0.00 N ATOM 1107 CA ARG A 74 5.209 4.714 2.713 1.00 0.00 C ATOM 1108 C ARG A 74 5.325 5.370 1.340 1.00 0.00 C ATOM 1109 O ARG A 74 6.393 5.365 0.728 1.00 0.00 O ATOM 1110 CB ARG A 74 5.913 5.576 3.763 1.00 0.00 C ATOM 1111 CG ARG A 74 5.256 5.524 5.133 1.00 0.00 C ATOM 1112 CD ARG A 74 5.506 6.802 5.919 1.00 0.00 C ATOM 1113 NE ARG A 74 6.720 6.718 6.726 1.00 0.00 N ATOM 1114 CZ ARG A 74 6.741 6.269 7.976 1.00 0.00 C ATOM 1115 NH1 ARG A 74 5.621 5.864 8.558 1.00 0.00 N ATOM 1116 NH2 ARG A 74 7.886 6.223 8.647 1.00 0.00 N ATOM 0 H ARG A 74 6.500 3.211 3.395 1.00 0.00 H new ATOM 0 HA ARG A 74 4.153 4.632 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.949 5.250 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.933 6.610 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.183 5.370 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.642 4.671 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.586 7.642 5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.653 7.002 6.567 1.00 0.00 H new ATOM 0 HE ARG A 74 7.600 7.020 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.739 5.897 8.046 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.641 5.520 9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.750 6.533 8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.901 5.878 9.607 1.00 0.00 H new ATOM 1130 N ILE A 75 4.220 5.933 0.863 1.00 0.00 N ATOM 1131 CA ILE A 75 4.199 6.593 -0.436 1.00 0.00 C ATOM 1132 C ILE A 75 4.263 8.109 -0.284 1.00 0.00 C ATOM 1133 O ILE A 75 3.239 8.791 -0.318 1.00 0.00 O ATOM 1134 CB ILE A 75 2.936 6.222 -1.236 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.861 4.707 -1.439 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.926 6.943 -2.575 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.477 4.213 -1.796 1.00 0.00 C ATOM 0 H ILE A 75 3.328 5.945 1.357 1.00 0.00 H new ATOM 0 HA ILE A 75 5.078 6.247 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 75 2.060 6.537 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.555 4.420 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.192 4.210 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.027 6.670 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.937 8.020 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.807 6.656 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.499 3.131 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.782 4.469 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.151 4.682 -2.724 1.00 0.00 H new ATOM 1149 N PHE A 76 5.474 8.631 -0.118 1.00 0.00 N ATOM 1150 CA PHE A 76 5.673 10.067 0.039 1.00 0.00 C ATOM 1151 C PHE A 76 5.328 10.807 -1.250 1.00 0.00 C ATOM 1152 O PHE A 76 5.128 10.192 -2.297 1.00 0.00 O ATOM 1153 CB PHE A 76 7.121 10.362 0.438 1.00 0.00 C ATOM 1154 CG PHE A 76 7.592 9.560 1.617 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.237 9.923 2.906 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.393 8.443 1.436 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.669 9.187 3.993 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.827 7.703 2.519 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.466 8.076 3.799 1.00 0.00 C ATOM 0 H PHE A 76 6.332 8.081 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 76 5.008 10.417 0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.772 10.160 -0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.217 11.423 0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.615 10.792 3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.681 8.148 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.384 9.480 4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.448 6.833 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.806 7.500 4.647 1.00 0.00 H new ATOM 1169 N GLU A 77 5.261 12.132 -1.164 1.00 0.00 N ATOM 1170 CA GLU A 77 4.939 12.957 -2.323 1.00 0.00 C ATOM 1171 C GLU A 77 5.917 14.121 -2.451 1.00 0.00 C ATOM 1172 O GLU A 77 5.785 15.135 -1.766 1.00 0.00 O ATOM 1173 CB GLU A 77 3.507 13.487 -2.217 1.00 0.00 C ATOM 1174 CG GLU A 77 2.959 14.025 -3.529 1.00 0.00 C ATOM 1175 CD GLU A 77 1.769 14.944 -3.330 1.00 0.00 C ATOM 1176 OE1 GLU A 77 0.643 14.429 -3.169 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.964 16.177 -3.336 1.00 0.00 O ATOM 0 H GLU A 77 5.425 12.657 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 77 5.023 12.336 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.857 12.687 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.476 14.278 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.747 14.565 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.666 13.190 -4.166 1.00 0.00 H new ATOM 1184 N LYS A 78 6.898 13.967 -3.334 1.00 0.00 N ATOM 1185 CA LYS A 78 7.899 15.004 -3.554 1.00 0.00 C ATOM 1186 C LYS A 78 7.988 15.369 -5.033 1.00 0.00 C ATOM 1187 O LYS A 78 7.921 14.499 -5.901 1.00 0.00 O ATOM 1188 CB LYS A 78 9.266 14.538 -3.049 1.00 0.00 C ATOM 1189 CG LYS A 78 10.432 15.281 -3.677 1.00 0.00 C ATOM 1190 CD LYS A 78 11.759 14.844 -3.079 1.00 0.00 C ATOM 1191 CE LYS A 78 12.024 15.531 -1.748 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.481 15.677 -1.480 1.00 0.00 N ATOM 0 H LYS A 78 7.021 13.134 -3.909 1.00 0.00 H new ATOM 0 HA LYS A 78 7.596 15.890 -2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.306 14.664 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.374 13.472 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.441 15.104 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.302 16.353 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.757 13.763 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.566 15.073 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.554 16.515 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.563 14.957 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.620 16.150 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.925 14.737 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.917 16.247 -2.233 1.00 0.00 H new ATOM 1206 N ASP A 79 8.142 16.659 -5.311 1.00 0.00 N ATOM 1207 CA ASP A 79 8.244 17.137 -6.685 1.00 0.00 C ATOM 1208 C ASP A 79 7.085 16.616 -7.529 1.00 0.00 C ATOM 1209 O ASP A 79 7.209 16.464 -8.744 1.00 0.00 O ATOM 1210 CB ASP A 79 9.575 16.705 -7.301 1.00 0.00 C ATOM 1211 CG ASP A 79 10.013 17.616 -8.431 1.00 0.00 C ATOM 1212 OD1 ASP A 79 9.169 17.939 -9.294 1.00 0.00 O ATOM 1213 OD2 ASP A 79 11.198 18.006 -8.453 1.00 0.00 O ATOM 0 H ASP A 79 8.199 17.392 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 79 8.197 18.226 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.343 16.695 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.485 15.685 -7.675 1.00 0.00 H new ATOM 1218 N SER A 80 5.960 16.342 -6.876 1.00 0.00 N ATOM 1219 CA SER A 80 4.781 15.833 -7.566 1.00 0.00 C ATOM 1220 C SER A 80 5.032 14.429 -8.108 1.00 0.00 C ATOM 1221 O SER A 80 4.510 14.052 -9.157 1.00 0.00 O ATOM 1222 CB SER A 80 4.388 16.770 -8.710 1.00 0.00 C ATOM 1223 OG SER A 80 3.041 16.565 -9.098 1.00 0.00 O ATOM 0 H SER A 80 5.840 16.464 -5.870 1.00 0.00 H new ATOM 0 HA SER A 80 3.963 15.786 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.527 17.806 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.045 16.602 -9.563 1.00 0.00 H new ATOM 0 HG SER A 80 2.896 15.615 -9.288 1.00 0.00 H new ATOM 1229 N LYS A 81 5.836 13.658 -7.384 1.00 0.00 N ATOM 1230 CA LYS A 81 6.158 12.294 -7.789 1.00 0.00 C ATOM 1231 C LYS A 81 6.238 11.372 -6.577 1.00 0.00 C ATOM 1232 O LYS A 81 7.102 11.536 -5.715 1.00 0.00 O ATOM 1233 CB LYS A 81 7.484 12.267 -8.553 1.00 0.00 C ATOM 1234 CG LYS A 81 7.542 13.253 -9.706 1.00 0.00 C ATOM 1235 CD LYS A 81 8.429 12.745 -10.830 1.00 0.00 C ATOM 1236 CE LYS A 81 8.685 13.825 -11.870 1.00 0.00 C ATOM 1237 NZ LYS A 81 8.991 13.246 -13.208 1.00 0.00 N ATOM 0 H LYS A 81 6.277 13.954 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 81 5.362 11.937 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.297 12.483 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.652 11.261 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.536 13.429 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.919 14.211 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.378 12.402 -10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.958 11.885 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.810 14.471 -11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.517 14.451 -11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.610 13.895 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.471 12.331 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.106 13.107 -13.737 1.00 0.00 H new ATOM 1251 N PHE A 82 5.334 10.400 -6.517 1.00 0.00 N ATOM 1252 CA PHE A 82 5.303 9.451 -5.411 1.00 0.00 C ATOM 1253 C PHE A 82 6.638 8.723 -5.281 1.00 0.00 C ATOM 1254 O PHE A 82 7.153 8.170 -6.253 1.00 0.00 O ATOM 1255 CB PHE A 82 4.174 8.437 -5.612 1.00 0.00 C ATOM 1256 CG PHE A 82 2.889 9.057 -6.080 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.189 9.932 -5.265 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.380 8.764 -7.335 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.006 10.503 -5.693 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.197 9.333 -7.769 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.510 10.204 -6.947 1.00 0.00 C ATOM 0 H PHE A 82 4.613 10.249 -7.222 1.00 0.00 H new ATOM 0 HA PHE A 82 5.122 10.009 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.493 7.689 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.995 7.914 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.573 10.170 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.914 8.083 -7.982 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.469 11.183 -5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.811 9.097 -8.750 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.414 10.651 -7.284 1.00 0.00 H new ATOM 1271 N TYR A 83 7.193 8.728 -4.074 1.00 0.00 N ATOM 1272 CA TYR A 83 8.469 8.072 -3.817 1.00 0.00 C ATOM 1273 C TYR A 83 8.456 7.367 -2.464 1.00 0.00 C ATOM 1274 O TYR A 83 7.730 7.762 -1.551 1.00 0.00 O ATOM 1275 CB TYR A 83 9.609 9.091 -3.862 1.00 0.00 C ATOM 1276 CG TYR A 83 9.706 9.946 -2.619 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.467 9.539 -1.530 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.037 11.161 -2.534 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.558 10.317 -0.392 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.124 11.946 -1.400 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.885 11.519 -0.332 1.00 0.00 C ATOM 1282 OH TYR A 83 9.973 12.298 0.799 1.00 0.00 O ATOM 0 H TYR A 83 6.779 9.179 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 83 8.627 7.325 -4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.552 8.563 -4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.473 9.738 -4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.996 8.599 -1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.439 11.497 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.153 9.986 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.599 12.889 -1.350 1.00 0.00 H new ATOM 0 HH TYR A 83 9.441 13.112 0.678 1.00 0.00 H new ATOM 1292 N LEU A 84 9.264 6.319 -2.343 1.00 0.00 N ATOM 1293 CA LEU A 84 9.348 5.558 -1.101 1.00 0.00 C ATOM 1294 C LEU A 84 10.711 5.741 -0.441 1.00 0.00 C ATOM 1295 O LEU A 84 10.812 5.815 0.783 1.00 0.00 O ATOM 1296 CB LEU A 84 9.096 4.074 -1.373 1.00 0.00 C ATOM 1297 CG LEU A 84 8.047 3.755 -2.439 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.015 2.262 -2.727 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.675 4.246 -2.001 1.00 0.00 C ATOM 0 H LEU A 84 9.870 5.977 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 84 8.583 5.933 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.039 3.615 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.792 3.601 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 84 8.320 4.275 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.263 2.054 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.993 1.940 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.767 1.721 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.941 4.010 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.393 3.755 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.706 5.325 -1.848 1.00 0.00 H new ATOM 1311 N GLU A 85 11.755 5.815 -1.260 1.00 0.00 N ATOM 1312 CA GLU A 85 13.111 5.992 -0.754 1.00 0.00 C ATOM 1313 C GLU A 85 13.483 7.470 -0.699 1.00 0.00 C ATOM 1314 O GLU A 85 13.931 7.971 0.331 1.00 0.00 O ATOM 1315 CB GLU A 85 14.109 5.235 -1.633 1.00 0.00 C ATOM 1316 CG GLU A 85 14.082 5.662 -3.091 1.00 0.00 C ATOM 1317 CD GLU A 85 14.933 4.772 -3.976 1.00 0.00 C ATOM 1318 OE1 GLU A 85 16.133 5.074 -4.142 1.00 0.00 O ATOM 1319 OE2 GLU A 85 14.398 3.774 -4.502 1.00 0.00 O ATOM 0 H GLU A 85 11.688 5.755 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 85 13.150 5.589 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.114 5.384 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.897 4.167 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.053 5.648 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.434 6.691 -3.171 1.00 0.00 H new ATOM 1326 N GLY A 86 13.294 8.164 -1.818 1.00 0.00 N ATOM 1327 CA GLY A 86 13.616 9.578 -1.877 1.00 0.00 C ATOM 1328 C GLY A 86 14.057 10.015 -3.260 1.00 0.00 C ATOM 1329 O GLY A 86 13.229 10.200 -4.152 1.00 0.00 O ATOM 0 H GLY A 86 12.924 7.772 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.744 10.159 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.407 9.797 -1.160 1.00 0.00 H new ATOM 1333 N GLU A 87 15.363 10.182 -3.437 1.00 0.00 N ATOM 1334 CA GLU A 87 15.912 10.603 -4.721 1.00 0.00 C ATOM 1335 C GLU A 87 15.158 9.949 -5.876 1.00 0.00 C ATOM 1336 O GLU A 87 15.007 10.537 -6.946 1.00 0.00 O ATOM 1337 CB GLU A 87 17.399 10.254 -4.806 1.00 0.00 C ATOM 1338 CG GLU A 87 17.688 8.774 -4.616 1.00 0.00 C ATOM 1339 CD GLU A 87 19.165 8.449 -4.728 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.647 8.266 -5.865 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.838 8.379 -3.679 1.00 0.00 O ATOM 0 H GLU A 87 16.061 10.032 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 87 15.796 11.684 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.783 10.569 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.941 10.822 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.324 8.459 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.136 8.201 -5.361 1.00 0.00 H new ATOM 1348 N VAL A 88 14.687 8.726 -5.650 1.00 0.00 N ATOM 1349 CA VAL A 88 13.949 7.991 -6.669 1.00 0.00 C ATOM 1350 C VAL A 88 12.446 8.189 -6.510 1.00 0.00 C ATOM 1351 O VAL A 88 11.827 7.628 -5.605 1.00 0.00 O ATOM 1352 CB VAL A 88 14.265 6.484 -6.614 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.469 5.732 -7.669 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.758 6.247 -6.791 1.00 0.00 C ATOM 0 H VAL A 88 14.804 8.224 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 88 14.265 8.386 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 88 13.973 6.104 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.706 4.669 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.403 5.876 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.727 6.111 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.964 5.177 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.077 6.641 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.304 6.753 -5.994 1.00 0.00 H new ATOM 1364 N LEU A 89 11.864 8.990 -7.395 1.00 0.00 N ATOM 1365 CA LEU A 89 10.431 9.263 -7.354 1.00 0.00 C ATOM 1366 C LEU A 89 9.757 8.833 -8.653 1.00 0.00 C ATOM 1367 O LEU A 89 10.422 8.410 -9.599 1.00 0.00 O ATOM 1368 CB LEU A 89 10.183 10.752 -7.106 1.00 0.00 C ATOM 1369 CG LEU A 89 11.180 11.455 -6.184 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.334 12.033 -6.987 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.486 12.547 -5.382 1.00 0.00 C ATOM 0 H LEU A 89 12.362 9.462 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 89 10.000 8.687 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.184 11.265 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.185 10.868 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 89 11.582 10.720 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.033 12.529 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.847 11.230 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.950 12.755 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.210 13.037 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.056 13.281 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.694 12.106 -4.776 1.00 0.00 H new ATOM 1383 N PHE A 90 8.434 8.945 -8.692 1.00 0.00 N ATOM 1384 CA PHE A 90 7.669 8.568 -9.875 1.00 0.00 C ATOM 1385 C PHE A 90 6.516 9.540 -10.110 1.00 0.00 C ATOM 1386 O PHE A 90 5.681 9.755 -9.231 1.00 0.00 O ATOM 1387 CB PHE A 90 7.129 7.145 -9.727 1.00 0.00 C ATOM 1388 CG PHE A 90 8.205 6.107 -9.583 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.701 5.775 -8.332 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.720 5.463 -10.696 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.692 4.821 -8.197 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.710 4.508 -10.567 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.196 4.186 -9.315 1.00 0.00 C ATOM 0 H PHE A 90 7.869 9.294 -7.918 1.00 0.00 H new ATOM 0 HA PHE A 90 8.336 8.608 -10.736 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.475 7.102 -8.856 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.518 6.905 -10.597 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.309 6.267 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.343 5.711 -11.677 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.072 4.572 -7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.103 4.014 -11.443 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.969 3.439 -9.210 1.00 0.00 H new ATOM 1403 N VAL A 91 6.478 10.126 -11.302 1.00 0.00 N ATOM 1404 CA VAL A 91 5.428 11.075 -11.654 1.00 0.00 C ATOM 1405 C VAL A 91 4.048 10.510 -11.337 1.00 0.00 C ATOM 1406 O VAL A 91 3.086 11.258 -11.161 1.00 0.00 O ATOM 1407 CB VAL A 91 5.487 11.449 -13.147 1.00 0.00 C ATOM 1408 CG1 VAL A 91 5.014 10.288 -14.008 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.658 12.696 -13.417 1.00 0.00 C ATOM 0 H VAL A 91 7.162 9.961 -12.040 1.00 0.00 H new ATOM 0 HA VAL A 91 5.597 11.970 -11.056 1.00 0.00 H new ATOM 0 HB VAL A 91 6.523 11.665 -13.409 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.063 10.571 -15.059 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.654 9.423 -13.835 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.986 10.037 -13.747 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.711 12.946 -14.477 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.620 12.510 -13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.048 13.527 -12.829 1.00 0.00 H new ATOM 1419 N SER A 92 3.959 9.186 -11.266 1.00 0.00 N ATOM 1420 CA SER A 92 2.695 8.520 -10.973 1.00 0.00 C ATOM 1421 C SER A 92 2.931 7.080 -10.526 1.00 0.00 C ATOM 1422 O SER A 92 3.911 6.448 -10.920 1.00 0.00 O ATOM 1423 CB SER A 92 1.786 8.542 -12.203 1.00 0.00 C ATOM 1424 OG SER A 92 2.455 8.029 -13.342 1.00 0.00 O ATOM 0 H SER A 92 4.747 8.553 -11.407 1.00 0.00 H new ATOM 0 HA SER A 92 2.208 9.059 -10.161 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.890 7.952 -12.007 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.459 9.563 -12.399 1.00 0.00 H new ATOM 0 HG SER A 92 1.852 8.052 -14.114 1.00 0.00 H new ATOM 1430 N VAL A 93 2.024 6.568 -9.701 1.00 0.00 N ATOM 1431 CA VAL A 93 2.130 5.202 -9.200 1.00 0.00 C ATOM 1432 C VAL A 93 2.383 4.218 -10.337 1.00 0.00 C ATOM 1433 O VAL A 93 3.247 3.348 -10.238 1.00 0.00 O ATOM 1434 CB VAL A 93 0.857 4.780 -8.445 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.976 3.344 -7.957 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.589 5.726 -7.283 1.00 0.00 C ATOM 0 H VAL A 93 1.207 7.078 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 93 2.975 5.183 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 93 0.013 4.836 -9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.067 3.064 -7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.117 2.680 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.830 3.258 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.315 5.413 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.433 5.704 -6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.456 6.739 -7.662 1.00 0.00 H new ATOM 1446 N GLY A 94 1.623 4.364 -11.419 1.00 0.00 N ATOM 1447 CA GLY A 94 1.780 3.481 -12.560 1.00 0.00 C ATOM 1448 C GLY A 94 3.235 3.222 -12.897 1.00 0.00 C ATOM 1449 O GLY A 94 3.710 2.091 -12.800 1.00 0.00 O ATOM 0 H GLY A 94 0.902 5.078 -11.525 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.284 2.533 -12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.282 3.919 -13.425 1.00 0.00 H new ATOM 1453 N SER A 95 3.945 4.273 -13.295 1.00 0.00 N ATOM 1454 CA SER A 95 5.353 4.154 -13.654 1.00 0.00 C ATOM 1455 C SER A 95 6.128 3.412 -12.569 1.00 0.00 C ATOM 1456 O SER A 95 6.892 2.491 -12.857 1.00 0.00 O ATOM 1457 CB SER A 95 5.964 5.539 -13.876 1.00 0.00 C ATOM 1458 OG SER A 95 5.846 5.937 -15.231 1.00 0.00 O ATOM 0 H SER A 95 3.568 5.217 -13.377 1.00 0.00 H new ATOM 0 HA SER A 95 5.420 3.583 -14.580 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.466 6.267 -13.235 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.015 5.527 -13.587 1.00 0.00 H new ATOM 0 HG SER A 95 6.242 6.826 -15.347 1.00 0.00 H new ATOM 1464 N MET A 96 5.925 3.820 -11.321 1.00 0.00 N ATOM 1465 CA MET A 96 6.603 3.194 -10.192 1.00 0.00 C ATOM 1466 C MET A 96 6.407 1.681 -10.211 1.00 0.00 C ATOM 1467 O MET A 96 7.370 0.919 -10.124 1.00 0.00 O ATOM 1468 CB MET A 96 6.085 3.771 -8.874 1.00 0.00 C ATOM 1469 CG MET A 96 6.825 3.253 -7.651 1.00 0.00 C ATOM 1470 SD MET A 96 6.381 4.138 -6.144 1.00 0.00 S ATOM 1471 CE MET A 96 4.649 3.704 -5.994 1.00 0.00 C ATOM 0 H MET A 96 5.296 4.582 -11.066 1.00 0.00 H new ATOM 0 HA MET A 96 7.669 3.406 -10.278 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.167 4.857 -8.905 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.026 3.534 -8.775 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.608 2.193 -7.522 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.899 3.341 -7.816 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.340 3.794 -4.952 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.051 4.376 -6.609 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.501 2.677 -6.329 1.00 0.00 H new ATOM 1481 N VAL A 97 5.154 1.253 -10.325 1.00 0.00 N ATOM 1482 CA VAL A 97 4.831 -0.169 -10.356 1.00 0.00 C ATOM 1483 C VAL A 97 5.628 -0.889 -11.437 1.00 0.00 C ATOM 1484 O VAL A 97 6.166 -1.972 -11.208 1.00 0.00 O ATOM 1485 CB VAL A 97 3.328 -0.398 -10.603 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.994 -1.880 -10.523 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.498 0.399 -9.608 1.00 0.00 C ATOM 0 H VAL A 97 4.345 1.871 -10.397 1.00 0.00 H new ATOM 0 HA VAL A 97 5.097 -0.576 -9.380 1.00 0.00 H new ATOM 0 HB VAL A 97 3.084 -0.049 -11.606 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.928 -2.023 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.563 -2.422 -11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.251 -2.258 -9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.439 0.226 -9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.743 0.082 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.717 1.461 -9.719 1.00 0.00 H new ATOM 1497 N GLU A 98 5.700 -0.280 -12.617 1.00 0.00 N ATOM 1498 CA GLU A 98 6.432 -0.865 -13.734 1.00 0.00 C ATOM 1499 C GLU A 98 7.934 -0.861 -13.463 1.00 0.00 C ATOM 1500 O GLU A 98 8.665 -1.729 -13.942 1.00 0.00 O ATOM 1501 CB GLU A 98 6.134 -0.099 -15.025 1.00 0.00 C ATOM 1502 CG GLU A 98 4.752 0.531 -15.053 1.00 0.00 C ATOM 1503 CD GLU A 98 4.183 0.627 -16.455 1.00 0.00 C ATOM 1504 OE1 GLU A 98 3.978 -0.431 -17.087 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.941 1.761 -16.921 1.00 0.00 O ATOM 0 H GLU A 98 5.261 0.617 -12.824 1.00 0.00 H new ATOM 0 HA GLU A 98 6.104 -1.898 -13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.883 0.682 -15.155 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.232 -0.779 -15.872 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.077 -0.056 -14.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.803 1.528 -14.616 1.00 0.00 H new ATOM 1512 N HIS A 99 8.387 0.122 -12.692 1.00 0.00 N ATOM 1513 CA HIS A 99 9.802 0.240 -12.356 1.00 0.00 C ATOM 1514 C HIS A 99 10.224 -0.860 -11.387 1.00 0.00 C ATOM 1515 O HIS A 99 11.255 -1.505 -11.575 1.00 0.00 O ATOM 1516 CB HIS A 99 10.090 1.612 -11.746 1.00 0.00 C ATOM 1517 CG HIS A 99 11.318 1.641 -10.889 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.537 1.168 -9.640 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.507 2.209 -11.296 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.840 1.455 -9.318 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.404 2.083 -10.335 1.00 0.00 N flip ATOM 0 H HIS A 99 7.796 0.848 -12.288 1.00 0.00 H new ATOM 0 HA HIS A 99 10.379 0.131 -13.275 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.200 2.341 -12.549 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.233 1.922 -11.149 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.860 0.687 -9.048 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.678 2.683 -12.251 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.325 1.208 -8.385 1.00 0.00 H new ATOM 1530 N TYR A 100 9.420 -1.067 -10.349 1.00 0.00 N ATOM 1531 CA TYR A 100 9.712 -2.086 -9.348 1.00 0.00 C ATOM 1532 C TYR A 100 9.629 -3.484 -9.954 1.00 0.00 C ATOM 1533 O TYR A 100 10.359 -4.391 -9.554 1.00 0.00 O ATOM 1534 CB TYR A 100 8.741 -1.969 -8.172 1.00 0.00 C ATOM 1535 CG TYR A 100 8.977 -0.748 -7.311 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.264 -0.361 -6.958 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.913 0.017 -6.850 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.484 0.752 -6.171 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.124 1.133 -6.064 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.411 1.496 -5.727 1.00 0.00 C ATOM 1541 OH TYR A 100 9.626 2.607 -4.943 1.00 0.00 O ATOM 0 H TYR A 100 8.562 -0.543 -10.179 1.00 0.00 H new ATOM 0 HA TYR A 100 10.728 -1.925 -8.988 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.721 -1.941 -8.555 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.825 -2.862 -7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.107 -0.941 -7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.904 -0.266 -7.111 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.491 1.038 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.286 1.718 -5.715 1.00 0.00 H new ATOM 0 HH TYR A 100 9.131 3.368 -5.312 1.00 0.00 H new ATOM 1551 N HIS A 101 8.733 -3.650 -10.922 1.00 0.00 N ATOM 1552 CA HIS A 101 8.554 -4.936 -11.585 1.00 0.00 C ATOM 1553 C HIS A 101 9.897 -5.627 -11.803 1.00 0.00 C ATOM 1554 O HIS A 101 9.974 -6.855 -11.863 1.00 0.00 O ATOM 1555 CB HIS A 101 7.841 -4.749 -12.924 1.00 0.00 C ATOM 1556 CG HIS A 101 6.349 -4.836 -12.826 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.524 -4.718 -11.760 1.00 0.00 N flip ATOM 1558 CD2 HIS A 101 5.536 -5.074 -13.914 1.00 0.00 C flip ATOM 1559 CE1 HIS A 101 4.240 -4.883 -12.218 1.00 0.00 C flip ATOM 1560 NE2 HIS A 101 4.275 -5.096 -13.521 1.00 0.00 N flip ATOM 0 H HIS A 101 8.120 -2.910 -11.264 1.00 0.00 H new ATOM 0 HA HIS A 101 7.941 -5.566 -10.941 1.00 0.00 H new ATOM 0 HB2 HIS A 101 8.114 -3.779 -13.339 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.196 -5.506 -13.624 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.877 -5.220 -14.928 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.347 -4.845 -11.612 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.466 -5.251 -14.122 1.00 0.00 H new ATOM 1569 N THR A 102 10.955 -4.830 -11.921 1.00 0.00 N ATOM 1570 CA THR A 102 12.294 -5.364 -12.134 1.00 0.00 C ATOM 1571 C THR A 102 13.205 -5.051 -10.953 1.00 0.00 C ATOM 1572 O THR A 102 14.193 -5.748 -10.716 1.00 0.00 O ATOM 1573 CB THR A 102 12.926 -4.799 -13.420 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.111 -3.384 -13.294 1.00 0.00 O ATOM 1575 CG2 THR A 102 12.052 -5.095 -14.629 1.00 0.00 C ATOM 0 H THR A 102 10.910 -3.812 -11.873 1.00 0.00 H new ATOM 0 HA THR A 102 12.191 -6.445 -12.233 1.00 0.00 H new ATOM 0 HB THR A 102 13.893 -5.281 -13.565 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.339 -2.993 -12.835 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.519 -4.686 -15.525 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.937 -6.173 -14.740 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.072 -4.638 -14.490 1.00 0.00 H new ATOM 1583 N HIS A 103 12.867 -3.999 -10.214 1.00 0.00 N ATOM 1584 CA HIS A 103 13.656 -3.595 -9.055 1.00 0.00 C ATOM 1585 C HIS A 103 12.931 -3.941 -7.758 1.00 0.00 C ATOM 1586 O HIS A 103 12.154 -3.142 -7.236 1.00 0.00 O ATOM 1587 CB HIS A 103 13.944 -2.094 -9.107 1.00 0.00 C ATOM 1588 CG HIS A 103 15.190 -1.749 -9.863 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.936 -0.617 -9.608 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.821 -2.395 -10.870 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.971 -0.581 -10.427 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.925 -1.649 -11.204 1.00 0.00 N ATOM 0 H HIS A 103 12.053 -3.412 -10.397 1.00 0.00 H new ATOM 0 HA HIS A 103 14.600 -4.140 -9.080 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.097 -1.586 -9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.029 -1.713 -8.089 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.514 -3.324 -11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.727 0.190 -10.457 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.599 -1.882 -11.933 1.00 0.00 H new ATOM 1601 N VAL A 104 13.191 -5.139 -7.242 1.00 0.00 N ATOM 1602 CA VAL A 104 12.565 -5.591 -6.006 1.00 0.00 C ATOM 1603 C VAL A 104 12.460 -4.455 -4.995 1.00 0.00 C ATOM 1604 O VAL A 104 13.329 -3.585 -4.930 1.00 0.00 O ATOM 1605 CB VAL A 104 13.349 -6.756 -5.373 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.847 -6.528 -5.509 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.959 -6.929 -3.913 1.00 0.00 C ATOM 0 H VAL A 104 13.831 -5.813 -7.662 1.00 0.00 H new ATOM 0 HA VAL A 104 11.564 -5.935 -6.266 1.00 0.00 H new ATOM 0 HB VAL A 104 13.095 -7.673 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.384 -7.361 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.110 -6.457 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.121 -5.602 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.522 -7.756 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.183 -6.013 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.892 -7.142 -3.844 1.00 0.00 H new ATOM 1617 N LEU A 105 11.390 -4.468 -4.208 1.00 0.00 N ATOM 1618 CA LEU A 105 11.170 -3.438 -3.198 1.00 0.00 C ATOM 1619 C LEU A 105 12.178 -3.567 -2.061 1.00 0.00 C ATOM 1620 O LEU A 105 12.743 -4.634 -1.816 1.00 0.00 O ATOM 1621 CB LEU A 105 9.747 -3.532 -2.646 1.00 0.00 C ATOM 1622 CG LEU A 105 8.646 -3.805 -3.672 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.392 -4.322 -2.985 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.338 -2.548 -4.472 1.00 0.00 C ATOM 0 H LEU A 105 10.661 -5.180 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 105 11.306 -2.465 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.721 -4.322 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.515 -2.598 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 105 9.001 -4.572 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.620 -4.510 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.621 -5.248 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.034 -3.578 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.552 -2.761 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.005 -1.760 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.236 -2.221 -4.996 1.00 0.00 H new ATOM 1636 N PRO A 106 12.409 -2.456 -1.346 1.00 0.00 N ATOM 1637 CA PRO A 106 13.348 -2.420 -0.220 1.00 0.00 C ATOM 1638 C PRO A 106 12.840 -3.207 0.984 1.00 0.00 C ATOM 1639 O PRO A 106 11.662 -3.556 1.057 1.00 0.00 O ATOM 1640 CB PRO A 106 13.441 -0.930 0.116 1.00 0.00 C ATOM 1641 CG PRO A 106 12.156 -0.351 -0.366 1.00 0.00 C ATOM 1642 CD PRO A 106 11.772 -1.150 -1.581 1.00 0.00 C ATOM 0 HA PRO A 106 14.306 -2.875 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.569 -0.773 1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.294 -0.465 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.386 -0.416 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.272 0.704 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.690 -1.242 -1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.134 -0.686 -2.498 1.00 0.00 H new ATOM 1650 N SER A 107 13.736 -3.482 1.926 1.00 0.00 N ATOM 1651 CA SER A 107 13.379 -4.230 3.125 1.00 0.00 C ATOM 1652 C SER A 107 13.016 -5.671 2.778 1.00 0.00 C ATOM 1653 O SER A 107 12.274 -6.330 3.508 1.00 0.00 O ATOM 1654 CB SER A 107 12.208 -3.556 3.843 1.00 0.00 C ATOM 1655 OG SER A 107 12.506 -2.204 4.146 1.00 0.00 O ATOM 0 H SER A 107 14.715 -3.198 1.882 1.00 0.00 H new ATOM 0 HA SER A 107 14.244 -4.241 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.317 -3.604 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.981 -4.096 4.762 1.00 0.00 H new ATOM 0 HG SER A 107 11.742 -1.795 4.603 1.00 0.00 H new ATOM 1661 N HIS A 108 13.544 -6.155 1.659 1.00 0.00 N ATOM 1662 CA HIS A 108 13.277 -7.518 1.214 1.00 0.00 C ATOM 1663 C HIS A 108 14.402 -8.027 0.317 1.00 0.00 C ATOM 1664 O HIS A 108 15.391 -7.330 0.091 1.00 0.00 O ATOM 1665 CB HIS A 108 11.945 -7.581 0.466 1.00 0.00 C ATOM 1666 CG HIS A 108 11.190 -8.854 0.694 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.292 -9.949 -0.138 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.318 -9.204 1.669 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.514 -10.917 0.314 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.913 -10.490 1.410 1.00 0.00 N ATOM 0 H HIS A 108 14.160 -5.624 1.043 1.00 0.00 H new ATOM 0 HA HIS A 108 13.221 -8.157 2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.324 -6.740 0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.131 -7.465 -0.602 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.877 -10.003 -0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.000 -8.587 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.391 -11.891 -0.136 1.00 0.00 H new ATOM 1679 N GLN A 109 14.242 -9.245 -0.190 1.00 0.00 N ATOM 1680 CA GLN A 109 15.245 -9.847 -1.061 1.00 0.00 C ATOM 1681 C GLN A 109 14.727 -9.962 -2.490 1.00 0.00 C ATOM 1682 O GLN A 109 15.331 -9.435 -3.424 1.00 0.00 O ATOM 1683 CB GLN A 109 15.643 -11.228 -0.537 1.00 0.00 C ATOM 1684 CG GLN A 109 14.467 -12.177 -0.371 1.00 0.00 C ATOM 1685 CD GLN A 109 14.777 -13.332 0.561 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.936 -13.704 0.743 1.00 0.00 O ATOM 1687 NE2 GLN A 109 13.739 -13.907 1.157 1.00 0.00 N ATOM 0 H GLN A 109 13.428 -9.834 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 109 16.123 -9.200 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.365 -11.673 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.144 -11.112 0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.610 -11.624 0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.181 -12.569 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.795 -13.566 0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.886 -14.689 1.795 1.00 0.00 H new ATOM 1696 N SER A 110 13.604 -10.654 -2.654 1.00 0.00 N ATOM 1697 CA SER A 110 13.006 -10.841 -3.971 1.00 0.00 C ATOM 1698 C SER A 110 11.500 -10.604 -3.922 1.00 0.00 C ATOM 1699 O SER A 110 10.710 -11.473 -4.293 1.00 0.00 O ATOM 1700 CB SER A 110 13.295 -12.251 -4.489 1.00 0.00 C ATOM 1701 OG SER A 110 13.305 -12.282 -5.906 1.00 0.00 O ATOM 0 H SER A 110 13.090 -11.095 -1.891 1.00 0.00 H new ATOM 0 HA SER A 110 13.449 -10.113 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.258 -12.592 -4.108 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.541 -12.942 -4.112 1.00 0.00 H new ATOM 0 HG SER A 110 13.493 -13.194 -6.212 1.00 0.00 H new ATOM 1707 N LEU A 111 11.108 -9.421 -3.462 1.00 0.00 N ATOM 1708 CA LEU A 111 9.697 -9.067 -3.365 1.00 0.00 C ATOM 1709 C LEU A 111 9.314 -8.053 -4.438 1.00 0.00 C ATOM 1710 O LEU A 111 9.518 -6.849 -4.271 1.00 0.00 O ATOM 1711 CB LEU A 111 9.387 -8.500 -1.978 1.00 0.00 C ATOM 1712 CG LEU A 111 8.037 -7.800 -1.825 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.906 -8.721 -2.255 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.835 -7.338 -0.389 1.00 0.00 C ATOM 0 H LEU A 111 11.748 -8.691 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 111 9.110 -9.972 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.435 -9.315 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.173 -7.792 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 111 8.029 -6.923 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.953 -8.205 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.042 -9.001 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.911 -9.618 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.869 -6.842 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.864 -8.200 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.627 -6.641 -0.116 1.00 0.00 H new ATOM 1726 N LEU A 112 8.756 -8.546 -5.538 1.00 0.00 N ATOM 1727 CA LEU A 112 8.342 -7.683 -6.639 1.00 0.00 C ATOM 1728 C LEU A 112 6.821 -7.620 -6.739 1.00 0.00 C ATOM 1729 O LEU A 112 6.113 -8.392 -6.091 1.00 0.00 O ATOM 1730 CB LEU A 112 8.931 -8.186 -7.957 1.00 0.00 C ATOM 1731 CG LEU A 112 10.445 -8.399 -7.978 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.809 -9.561 -8.889 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.156 -7.129 -8.423 1.00 0.00 C ATOM 0 H LEU A 112 8.580 -9.539 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 112 8.717 -6.679 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.448 -9.130 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.673 -7.475 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 112 10.772 -8.641 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.890 -9.697 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.330 -10.471 -8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.468 -9.349 -9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.233 -7.299 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.823 -6.858 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.922 -6.320 -7.731 1.00 0.00 H new ATOM 1745 N LEU A 113 6.325 -6.698 -7.557 1.00 0.00 N ATOM 1746 CA LEU A 113 4.888 -6.536 -7.744 1.00 0.00 C ATOM 1747 C LEU A 113 4.390 -7.393 -8.904 1.00 0.00 C ATOM 1748 O LEU A 113 4.557 -7.035 -10.070 1.00 0.00 O ATOM 1749 CB LEU A 113 4.549 -5.066 -8.000 1.00 0.00 C ATOM 1750 CG LEU A 113 5.144 -4.059 -7.014 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.991 -2.641 -7.542 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.484 -4.196 -5.649 1.00 0.00 C ATOM 0 H LEU A 113 6.897 -6.052 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 113 4.389 -6.864 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.887 -4.805 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.465 -4.957 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 113 6.208 -4.271 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.420 -1.938 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.510 -2.550 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.933 -2.417 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.919 -3.472 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.414 -4.010 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.645 -5.204 -5.266 1.00 0.00 H new ATOM 1764 N ARG A 114 3.775 -8.525 -8.575 1.00 0.00 N ATOM 1765 CA ARG A 114 3.252 -9.432 -9.589 1.00 0.00 C ATOM 1766 C ARG A 114 1.810 -9.079 -9.942 1.00 0.00 C ATOM 1767 O ARG A 114 1.504 -8.745 -11.088 1.00 0.00 O ATOM 1768 CB ARG A 114 3.328 -10.879 -9.098 1.00 0.00 C ATOM 1769 CG ARG A 114 4.744 -11.430 -9.045 1.00 0.00 C ATOM 1770 CD ARG A 114 4.869 -12.547 -8.020 1.00 0.00 C ATOM 1771 NE ARG A 114 3.876 -13.596 -8.230 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.042 -14.607 -9.076 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.157 -14.704 -9.787 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.093 -15.523 -9.212 1.00 0.00 N ATOM 0 H ARG A 114 3.627 -8.835 -7.615 1.00 0.00 H new ATOM 0 HA ARG A 114 3.864 -9.327 -10.485 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.886 -10.940 -8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.726 -11.508 -9.754 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.027 -11.804 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.439 -10.628 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.869 -12.978 -8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.754 -12.134 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 114 3.007 -13.550 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.890 -14.002 -9.685 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.282 -15.481 -10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.234 -15.452 -8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.222 -16.298 -9.862 1.00 0.00 H new ATOM 1788 N HIS A 115 0.928 -9.156 -8.951 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.482 -8.844 -9.157 1.00 0.00 C ATOM 1790 C HIS A 115 -1.003 -7.928 -8.054 1.00 0.00 C ATOM 1791 O HIS A 115 -0.699 -8.102 -6.874 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.309 -10.130 -9.201 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.548 -11.314 -9.711 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.522 -11.676 -11.042 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.220 -12.220 -9.061 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.227 -12.755 -11.188 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.689 -13.105 -10.001 1.00 0.00 N ATOM 0 H HIS A 115 1.164 -9.432 -7.998 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.578 -8.325 -10.111 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.678 -10.350 -8.199 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.182 -9.969 -9.834 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -1.005 -11.187 -11.796 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.426 -12.243 -8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.427 -13.264 -12.119 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.807 -6.928 -8.445 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.386 -5.964 -7.505 1.00 0.00 C ATOM 1808 C PRO A 116 -3.446 -6.595 -6.607 1.00 0.00 C ATOM 1809 O PRO A 116 -3.853 -7.737 -6.821 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.018 -4.912 -8.419 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.302 -5.636 -9.690 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.212 -6.660 -9.835 1.00 0.00 C ATOM 0 HA PRO A 116 -1.638 -5.561 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.930 -4.505 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.342 -4.073 -8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.282 -6.111 -9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.308 -4.950 -10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.572 -7.562 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.381 -6.281 -10.429 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.887 -5.845 -5.604 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.898 -6.332 -4.673 1.00 0.00 C ATOM 1822 C TYR A 117 -6.303 -6.090 -5.219 1.00 0.00 C ATOM 1823 O TYR A 117 -6.547 -5.112 -5.924 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.742 -5.648 -3.314 1.00 0.00 C ATOM 1825 CG TYR A 117 -5.986 -5.712 -2.457 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.529 -6.933 -2.076 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.619 -4.552 -2.028 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.666 -6.996 -1.294 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.755 -4.605 -1.244 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.275 -5.830 -0.881 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.407 -5.889 -0.100 1.00 0.00 O ATOM 0 H TYR A 117 -3.561 -4.897 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.755 -7.406 -4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.916 -6.113 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.473 -4.604 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.054 -7.848 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.216 -3.591 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.076 -7.953 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.233 -3.693 -0.917 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.823 -6.771 -0.193 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.223 -6.990 -4.885 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.592 -6.857 -5.348 1.00 0.00 C ATOM 1843 C GLY A 118 -8.759 -7.283 -6.794 1.00 0.00 C ATOM 1844 O GLY A 118 -9.702 -7.997 -7.133 1.00 0.00 O ATOM 0 H GLY A 118 -7.045 -7.808 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.246 -7.459 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.910 -5.820 -5.239 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.841 -6.842 -7.647 1.00 0.00 N ATOM 1849 CA TYR A 119 -7.893 -7.178 -9.065 1.00 0.00 C ATOM 1850 C TYR A 119 -8.101 -8.677 -9.263 1.00 0.00 C ATOM 1851 O TYR A 119 -7.947 -9.466 -8.330 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.607 -6.734 -9.763 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.699 -6.755 -11.273 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.626 -5.967 -11.943 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -5.857 -7.562 -12.028 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.714 -5.984 -13.321 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -5.936 -7.583 -13.407 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.867 -6.793 -14.049 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.950 -6.811 -15.422 1.00 0.00 O ATOM 0 H TYR A 119 -7.053 -6.252 -7.382 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.739 -6.651 -9.506 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.356 -5.725 -9.437 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.790 -7.383 -9.448 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.289 -5.330 -11.377 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.128 -8.183 -11.528 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.442 -5.367 -13.826 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.273 -8.214 -13.979 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.283 -7.432 -15.782 1.00 0.00 H new ATOM 1869 N THR A 120 -8.451 -9.063 -10.486 1.00 0.00 N ATOM 1870 CA THR A 120 -8.681 -10.466 -10.808 1.00 0.00 C ATOM 1871 C THR A 120 -8.053 -10.832 -12.148 1.00 0.00 C ATOM 1872 O THR A 120 -8.334 -10.203 -13.168 1.00 0.00 O ATOM 1873 CB THR A 120 -10.185 -10.793 -10.852 1.00 0.00 C ATOM 1874 OG1 THR A 120 -10.375 -12.204 -11.008 1.00 0.00 O ATOM 1875 CG2 THR A 120 -10.866 -10.055 -11.995 1.00 0.00 C ATOM 0 H THR A 120 -8.581 -8.424 -11.270 1.00 0.00 H new ATOM 0 HA THR A 120 -8.213 -11.053 -10.018 1.00 0.00 H new ATOM 0 HB THR A 120 -10.633 -10.468 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 120 -11.334 -12.404 -11.033 1.00 0.00 H new ATOM 0 HG21 THR A 120 -11.928 -10.302 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 120 -10.745 -8.980 -11.858 1.00 0.00 H new ATOM 0 HG23 THR A 120 -10.414 -10.353 -12.941 1.00 0.00 H new ATOM 1883 N SER A 121 -7.203 -11.853 -12.139 1.00 0.00 N ATOM 1884 CA SER A 121 -6.533 -12.301 -13.354 1.00 0.00 C ATOM 1885 C SER A 121 -7.064 -13.661 -13.798 1.00 0.00 C ATOM 1886 O SER A 121 -7.282 -13.898 -14.985 1.00 0.00 O ATOM 1887 CB SER A 121 -5.022 -12.380 -13.130 1.00 0.00 C ATOM 1888 OG SER A 121 -4.314 -12.157 -14.337 1.00 0.00 O ATOM 0 H SER A 121 -6.962 -12.386 -11.303 1.00 0.00 H new ATOM 0 HA SER A 121 -6.739 -11.575 -14.141 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.722 -11.641 -12.387 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.762 -13.359 -12.728 1.00 0.00 H new ATOM 0 HG SER A 121 -3.351 -12.211 -14.166 1.00 0.00 H new ATOM 1894 N GLY A 122 -7.271 -14.552 -12.833 1.00 0.00 N ATOM 1895 CA GLY A 122 -7.774 -15.877 -13.142 1.00 0.00 C ATOM 1896 C GLY A 122 -9.211 -15.854 -13.624 1.00 0.00 C ATOM 1897 O GLY A 122 -9.971 -14.929 -13.333 1.00 0.00 O ATOM 0 H GLY A 122 -7.099 -14.379 -11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -7.145 -16.332 -13.907 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -7.702 -16.506 -12.255 1.00 0.00 H new ATOM 1901 N PRO A 123 -9.603 -16.889 -14.381 1.00 0.00 N ATOM 1902 CA PRO A 123 -10.961 -17.006 -14.921 1.00 0.00 C ATOM 1903 C PRO A 123 -11.995 -17.283 -13.834 1.00 0.00 C ATOM 1904 O PRO A 123 -13.191 -17.374 -14.111 1.00 0.00 O ATOM 1905 CB PRO A 123 -10.861 -18.196 -15.878 1.00 0.00 C ATOM 1906 CG PRO A 123 -9.726 -19.008 -15.356 1.00 0.00 C ATOM 1907 CD PRO A 123 -8.751 -18.026 -14.767 1.00 0.00 C ATOM 0 HA PRO A 123 -11.290 -16.083 -15.399 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.786 -18.772 -15.892 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -10.675 -17.867 -16.900 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -10.068 -19.718 -14.603 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -9.262 -19.588 -16.154 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -8.228 -18.446 -13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -7.991 -17.731 -15.491 1.00 0.00 H new ATOM 1915 N SER A 124 -11.526 -17.414 -12.598 1.00 0.00 N ATOM 1916 CA SER A 124 -12.411 -17.683 -11.470 1.00 0.00 C ATOM 1917 C SER A 124 -13.715 -16.902 -11.603 1.00 0.00 C ATOM 1918 O SER A 124 -13.718 -15.671 -11.591 1.00 0.00 O ATOM 1919 CB SER A 124 -11.719 -17.321 -10.154 1.00 0.00 C ATOM 1920 OG SER A 124 -10.590 -18.146 -9.928 1.00 0.00 O ATOM 0 H SER A 124 -10.539 -17.338 -12.352 1.00 0.00 H new ATOM 0 HA SER A 124 -12.644 -18.748 -11.469 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.411 -16.276 -10.177 1.00 0.00 H new ATOM 0 HB3 SER A 124 -12.422 -17.428 -9.328 1.00 0.00 H new ATOM 0 HG SER A 124 -10.165 -17.894 -9.082 1.00 0.00 H new ATOM 1926 N SER A 125 -14.821 -17.628 -11.732 1.00 0.00 N ATOM 1927 CA SER A 125 -16.132 -17.005 -11.872 1.00 0.00 C ATOM 1928 C SER A 125 -17.195 -17.801 -11.122 1.00 0.00 C ATOM 1929 O SER A 125 -17.037 -18.998 -10.883 1.00 0.00 O ATOM 1930 CB SER A 125 -16.511 -16.891 -13.349 1.00 0.00 C ATOM 1931 OG SER A 125 -15.924 -15.745 -13.940 1.00 0.00 O ATOM 0 H SER A 125 -14.835 -18.648 -11.742 1.00 0.00 H new ATOM 0 HA SER A 125 -16.080 -16.006 -11.440 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.186 -17.785 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.595 -16.839 -13.446 1.00 0.00 H new ATOM 0 HG SER A 125 -14.977 -15.920 -14.124 1.00 0.00 H new ATOM 1937 N GLY A 126 -18.280 -17.127 -10.752 1.00 0.00 N ATOM 1938 CA GLY A 126 -19.354 -17.787 -10.033 1.00 0.00 C ATOM 1939 C GLY A 126 -19.574 -17.200 -8.653 1.00 0.00 C ATOM 1940 O GLY A 126 -19.585 -15.981 -8.484 1.00 0.00 O ATOM 0 H GLY A 126 -18.434 -16.136 -10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -20.276 -17.707 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -19.126 -18.849 -9.941 1.00 0.00 H new TER 1944 GLY A 126