USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1086 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 19 MET CE :methyl -168:sc= 0 (180deg=-0.277) USER MOD Set 1.2: A 115 MET CE :methyl -111:sc= -1.4 (180deg=-1.72!) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.000539) 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.941 F(o=-1.9,f=-0.94) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.891 K(o=-0.89,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 160:sc= -4.06 USER MOD Single : A 42 SER OG : rot -170:sc= -1.07 USER MOD Single : A 44 ASN : amide:sc= -0.559 K(o=-0.56,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0.0479 (180deg=-0.147) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.0896 K(o=-0.09,f=-1.8!) USER MOD Single : A 80 SER OG : rot 170:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -35:sc= -0.371 USER MOD Single : A 89 TYR OH : rot -37:sc= 0.0163 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.05) USER MOD Single : A 92 THR OG1 : rot 75:sc= -1.07 USER MOD Single : A 93 THR OG1 : rot 76:sc= 0.777 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -1.5! C(o=-1.5!,f=-2.9!) USER MOD Single : A 97 LYS NZ :NH3+ -151:sc= -2.43 (180deg=-5.05!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -142:sc= 1.23 USER MOD Single : A 108 GLN : amide:sc= -4.04! C(o=-4!,f=-4.9!) USER MOD Single : A 110 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.5) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 174:sc= 0.203 (180deg=0.145) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -50:sc= 0.0926 USER MOD Single : A 119 SER OG : rot 180:sc= -0.558 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.857 USER MOD Single : A 126 SER OG : rot 149:sc= 0.723 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 172:sc= -0.398 USER MOD Single : A 130 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 16:sc= 0.164 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.135 11.171 20.389 1.00 0.00 N ATOM 2 CA GLY A 1 -18.386 10.920 21.081 1.00 0.00 C ATOM 3 C GLY A 1 -19.594 11.307 20.252 1.00 0.00 C ATOM 4 O GLY A 1 -20.556 10.544 20.150 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.340 10.874 20.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.116 10.632 19.499 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.051 12.186 20.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.449 9.863 21.339 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.398 11.478 22.018 1.00 0.00 H new ATOM 8 N SER A 2 -19.548 12.496 19.660 1.00 0.00 N ATOM 9 CA SER A 2 -20.650 12.985 18.840 1.00 0.00 C ATOM 10 C SER A 2 -20.944 12.023 17.694 1.00 0.00 C ATOM 11 O SER A 2 -20.188 11.083 17.448 1.00 0.00 O ATOM 12 CB SER A 2 -20.324 14.373 18.285 1.00 0.00 C ATOM 13 OG SER A 2 -20.337 15.349 19.313 1.00 0.00 O ATOM 0 H SER A 2 -18.759 13.139 19.733 1.00 0.00 H new ATOM 0 HA SER A 2 -21.537 13.052 19.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.344 14.356 17.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.049 14.640 17.516 1.00 0.00 H new ATOM 0 HG SER A 2 -20.124 16.227 18.933 1.00 0.00 H new ATOM 19 N SER A 3 -22.049 12.264 16.995 1.00 0.00 N ATOM 20 CA SER A 3 -22.446 11.417 15.876 1.00 0.00 C ATOM 21 C SER A 3 -23.316 12.192 14.891 1.00 0.00 C ATOM 22 O SER A 3 -23.870 13.239 15.224 1.00 0.00 O ATOM 23 CB SER A 3 -23.201 10.187 16.383 1.00 0.00 C ATOM 24 OG SER A 3 -23.252 9.176 15.392 1.00 0.00 O ATOM 0 H SER A 3 -22.685 13.039 17.184 1.00 0.00 H new ATOM 0 HA SER A 3 -21.543 11.092 15.359 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.713 9.800 17.277 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.214 10.471 16.670 1.00 0.00 H new ATOM 0 HG SER A 3 -23.738 8.400 15.741 1.00 0.00 H new ATOM 30 N GLY A 4 -23.432 11.667 13.674 1.00 0.00 N ATOM 31 CA GLY A 4 -24.236 12.322 12.658 1.00 0.00 C ATOM 32 C GLY A 4 -24.038 11.715 11.283 1.00 0.00 C ATOM 33 O GLY A 4 -23.808 10.512 11.155 1.00 0.00 O ATOM 0 H GLY A 4 -22.984 10.801 13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.289 12.256 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.981 13.381 12.624 1.00 0.00 H new ATOM 37 N SER A 5 -24.128 12.548 10.252 1.00 0.00 N ATOM 38 CA SER A 5 -23.963 12.086 8.879 1.00 0.00 C ATOM 39 C SER A 5 -22.569 11.504 8.666 1.00 0.00 C ATOM 40 O SER A 5 -21.585 12.008 9.205 1.00 0.00 O ATOM 41 CB SER A 5 -24.203 13.236 7.899 1.00 0.00 C ATOM 42 OG SER A 5 -24.411 12.751 6.584 1.00 0.00 O ATOM 0 H SER A 5 -24.314 13.547 10.341 1.00 0.00 H new ATOM 0 HA SER A 5 -24.698 11.302 8.695 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.070 13.815 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.348 13.911 7.910 1.00 0.00 H new ATOM 0 HG SER A 5 -24.564 13.505 5.977 1.00 0.00 H new ATOM 48 N SER A 6 -22.495 10.438 7.875 1.00 0.00 N ATOM 49 CA SER A 6 -21.223 9.783 7.593 1.00 0.00 C ATOM 50 C SER A 6 -20.596 10.340 6.318 1.00 0.00 C ATOM 51 O SER A 6 -19.392 10.585 6.261 1.00 0.00 O ATOM 52 CB SER A 6 -21.422 8.272 7.459 1.00 0.00 C ATOM 53 OG SER A 6 -22.377 7.970 6.457 1.00 0.00 O ATOM 0 H SER A 6 -23.300 10.010 7.418 1.00 0.00 H new ATOM 0 HA SER A 6 -20.548 9.981 8.426 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.472 7.797 7.215 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.749 7.859 8.413 1.00 0.00 H new ATOM 0 HG SER A 6 -22.485 6.998 6.390 1.00 0.00 H new ATOM 59 N GLY A 7 -21.424 10.537 5.297 1.00 0.00 N ATOM 60 CA GLY A 7 -20.934 11.063 4.036 1.00 0.00 C ATOM 61 C GLY A 7 -19.531 10.588 3.716 1.00 0.00 C ATOM 62 O GLY A 7 -18.598 11.389 3.644 1.00 0.00 O ATOM 0 H GLY A 7 -22.425 10.342 5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.608 10.762 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.946 12.152 4.071 1.00 0.00 H new ATOM 66 N SER A 8 -19.379 9.282 3.524 1.00 0.00 N ATOM 67 CA SER A 8 -18.078 8.701 3.215 1.00 0.00 C ATOM 68 C SER A 8 -18.057 8.138 1.797 1.00 0.00 C ATOM 69 O SER A 8 -17.053 8.242 1.092 1.00 0.00 O ATOM 70 CB SER A 8 -17.737 7.597 4.219 1.00 0.00 C ATOM 71 OG SER A 8 -16.670 6.792 3.749 1.00 0.00 O ATOM 0 H SER A 8 -20.141 8.606 3.577 1.00 0.00 H new ATOM 0 HA SER A 8 -17.330 9.490 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.466 8.043 5.176 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.616 6.976 4.394 1.00 0.00 H new ATOM 0 HG SER A 8 -16.470 6.095 4.409 1.00 0.00 H new ATOM 77 N GLN A 9 -19.172 7.543 1.387 1.00 0.00 N ATOM 78 CA GLN A 9 -19.282 6.963 0.054 1.00 0.00 C ATOM 79 C GLN A 9 -18.668 7.887 -0.994 1.00 0.00 C ATOM 80 O GLN A 9 -17.966 7.435 -1.897 1.00 0.00 O ATOM 81 CB GLN A 9 -20.748 6.689 -0.287 1.00 0.00 C ATOM 82 CG GLN A 9 -20.954 6.143 -1.691 1.00 0.00 C ATOM 83 CD GLN A 9 -22.359 5.619 -1.912 1.00 0.00 C ATOM 84 OE1 GLN A 9 -23.039 5.214 -0.969 1.00 0.00 O ATOM 85 NE2 GLN A 9 -22.802 5.624 -3.164 1.00 0.00 N ATOM 0 H GLN A 9 -20.012 7.450 1.958 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.733 6.021 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.153 5.978 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -21.317 7.613 -0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.745 6.929 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.238 5.342 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.204 5.969 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.740 5.283 -3.374 1.00 0.00 H new ATOM 94 N GLN A 10 -18.940 9.182 -0.866 1.00 0.00 N ATOM 95 CA GLN A 10 -18.415 10.168 -1.802 1.00 0.00 C ATOM 96 C GLN A 10 -16.909 10.339 -1.627 1.00 0.00 C ATOM 97 O GLN A 10 -16.175 10.495 -2.602 1.00 0.00 O ATOM 98 CB GLN A 10 -19.119 11.512 -1.608 1.00 0.00 C ATOM 99 CG GLN A 10 -20.518 11.557 -2.200 1.00 0.00 C ATOM 100 CD GLN A 10 -21.437 10.508 -1.606 1.00 0.00 C ATOM 101 OE1 GLN A 10 -21.443 9.320 -2.201 1.00 0.00 O flip ATOM 102 NE2 GLN A 10 -22.134 10.760 -0.623 1.00 0.00 N flip ATOM 0 H GLN A 10 -19.521 9.572 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.606 9.809 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.177 11.732 -0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.516 12.298 -2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.947 12.545 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.457 11.412 -3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -22.099 11.686 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -22.747 10.043 -0.235 1.00 0.00 H new ATOM 111 N ARG A 11 -16.458 10.309 -0.377 1.00 0.00 N ATOM 112 CA ARG A 11 -15.040 10.462 -0.074 1.00 0.00 C ATOM 113 C ARG A 11 -14.233 9.301 -0.647 1.00 0.00 C ATOM 114 O ARG A 11 -13.145 9.496 -1.190 1.00 0.00 O ATOM 115 CB ARG A 11 -14.827 10.547 1.439 1.00 0.00 C ATOM 116 CG ARG A 11 -13.592 11.340 1.836 1.00 0.00 C ATOM 117 CD ARG A 11 -13.688 11.838 3.270 1.00 0.00 C ATOM 118 NE ARG A 11 -12.836 13.001 3.503 1.00 0.00 N ATOM 119 CZ ARG A 11 -13.064 13.901 4.453 1.00 0.00 C ATOM 120 NH1 ARG A 11 -14.112 13.772 5.254 1.00 0.00 N ATOM 121 NH2 ARG A 11 -12.242 14.932 4.603 1.00 0.00 N ATOM 0 H ARG A 11 -17.053 10.180 0.441 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.693 11.386 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.705 11.004 1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.746 9.538 1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.706 10.715 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.471 12.188 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.723 12.095 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.403 11.037 3.952 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.021 13.129 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.745 12.980 5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.285 14.464 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.434 15.034 3.988 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.418 15.623 5.333 1.00 0.00 H new ATOM 135 N VAL A 12 -14.772 8.093 -0.523 1.00 0.00 N ATOM 136 CA VAL A 12 -14.103 6.900 -1.030 1.00 0.00 C ATOM 137 C VAL A 12 -13.855 7.005 -2.530 1.00 0.00 C ATOM 138 O VAL A 12 -12.758 6.719 -3.011 1.00 0.00 O ATOM 139 CB VAL A 12 -14.927 5.630 -0.744 1.00 0.00 C ATOM 140 CG1 VAL A 12 -14.233 4.404 -1.316 1.00 0.00 C ATOM 141 CG2 VAL A 12 -15.160 5.472 0.751 1.00 0.00 C ATOM 0 H VAL A 12 -15.671 7.914 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.147 6.828 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.897 5.729 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.829 3.516 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.123 4.518 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.249 4.297 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.744 4.570 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.201 5.394 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.703 6.339 1.128 1.00 0.00 H new ATOM 151 N LYS A 13 -14.881 7.417 -3.266 1.00 0.00 N ATOM 152 CA LYS A 13 -14.776 7.562 -4.713 1.00 0.00 C ATOM 153 C LYS A 13 -13.472 8.254 -5.098 1.00 0.00 C ATOM 154 O LYS A 13 -12.778 7.823 -6.018 1.00 0.00 O ATOM 155 CB LYS A 13 -15.967 8.357 -5.255 1.00 0.00 C ATOM 156 CG LYS A 13 -16.152 8.228 -6.757 1.00 0.00 C ATOM 157 CD LYS A 13 -16.777 6.894 -7.129 1.00 0.00 C ATOM 158 CE LYS A 13 -16.612 6.594 -8.611 1.00 0.00 C ATOM 159 NZ LYS A 13 -17.729 7.158 -9.418 1.00 0.00 N ATOM 0 H LYS A 13 -15.796 7.657 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.782 6.565 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.875 8.020 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.836 9.409 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.783 9.040 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.187 8.330 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.316 6.099 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.837 6.904 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.666 7.006 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.565 5.515 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.580 6.932 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.629 6.746 -9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.759 8.190 -9.296 1.00 0.00 H new ATOM 173 N ARG A 14 -13.145 9.328 -4.386 1.00 0.00 N ATOM 174 CA ARG A 14 -11.924 10.079 -4.652 1.00 0.00 C ATOM 175 C ARG A 14 -10.724 9.143 -4.760 1.00 0.00 C ATOM 176 O ARG A 14 -9.823 9.365 -5.570 1.00 0.00 O ATOM 177 CB ARG A 14 -11.683 11.110 -3.548 1.00 0.00 C ATOM 178 CG ARG A 14 -12.368 12.443 -3.801 1.00 0.00 C ATOM 179 CD ARG A 14 -11.562 13.312 -4.754 1.00 0.00 C ATOM 180 NE ARG A 14 -12.381 14.349 -5.375 1.00 0.00 N ATOM 181 CZ ARG A 14 -12.019 15.019 -6.463 1.00 0.00 C ATOM 182 NH1 ARG A 14 -10.857 14.760 -7.048 1.00 0.00 N ATOM 183 NH2 ARG A 14 -12.819 15.948 -6.969 1.00 0.00 N ATOM 0 H ARG A 14 -13.709 9.697 -3.620 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.046 10.598 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.035 10.704 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.611 11.276 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -13.361 12.270 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -12.505 12.968 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.738 13.777 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.120 12.686 -5.529 1.00 0.00 H new ATOM 0 HE ARG A 14 -13.281 14.571 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.240 14.045 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.581 15.276 -7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -13.714 16.149 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.539 16.462 -7.805 1.00 0.00 H new ATOM 197 N TRP A 15 -10.718 8.099 -3.940 1.00 0.00 N ATOM 198 CA TRP A 15 -9.627 7.131 -3.943 1.00 0.00 C ATOM 199 C TRP A 15 -9.624 6.319 -5.233 1.00 0.00 C ATOM 200 O TRP A 15 -8.584 5.824 -5.664 1.00 0.00 O ATOM 201 CB TRP A 15 -9.745 6.196 -2.738 1.00 0.00 C ATOM 202 CG TRP A 15 -10.137 6.901 -1.475 1.00 0.00 C ATOM 203 CD1 TRP A 15 -9.912 8.212 -1.164 1.00 0.00 C ATOM 204 CD2 TRP A 15 -10.822 6.333 -0.353 1.00 0.00 C ATOM 205 NE1 TRP A 15 -10.415 8.493 0.083 1.00 0.00 N ATOM 206 CE2 TRP A 15 -10.979 7.357 0.601 1.00 0.00 C ATOM 207 CE3 TRP A 15 -11.319 5.060 -0.063 1.00 0.00 C ATOM 208 CZ2 TRP A 15 -11.611 7.144 1.824 1.00 0.00 C ATOM 209 CZ3 TRP A 15 -11.946 4.850 1.151 1.00 0.00 C ATOM 210 CH2 TRP A 15 -12.088 5.888 2.081 1.00 0.00 C ATOM 0 H TRP A 15 -11.456 7.901 -3.264 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.687 7.679 -3.878 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -10.482 5.423 -2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.791 5.692 -2.583 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.412 8.923 -1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -10.375 9.400 0.548 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -11.215 4.254 -0.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -11.720 7.942 2.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -12.333 3.869 1.386 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -12.584 5.693 3.020 1.00 0.00 H new ATOM 221 N GLY A 16 -10.796 6.186 -5.847 1.00 0.00 N ATOM 222 CA GLY A 16 -10.906 5.433 -7.082 1.00 0.00 C ATOM 223 C GLY A 16 -10.423 6.219 -8.285 1.00 0.00 C ATOM 224 O GLY A 16 -10.868 5.984 -9.409 1.00 0.00 O ATOM 0 H GLY A 16 -11.672 6.587 -5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.327 4.514 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.945 5.142 -7.235 1.00 0.00 H new ATOM 228 N PHE A 17 -9.512 7.157 -8.050 1.00 0.00 N ATOM 229 CA PHE A 17 -8.971 7.983 -9.123 1.00 0.00 C ATOM 230 C PHE A 17 -7.467 7.770 -9.269 1.00 0.00 C ATOM 231 O PHE A 17 -6.922 7.844 -10.369 1.00 0.00 O ATOM 232 CB PHE A 17 -9.265 9.461 -8.855 1.00 0.00 C ATOM 233 CG PHE A 17 -10.686 9.852 -9.143 1.00 0.00 C ATOM 234 CD1 PHE A 17 -11.081 10.183 -10.429 1.00 0.00 C ATOM 235 CD2 PHE A 17 -11.628 9.888 -8.127 1.00 0.00 C ATOM 236 CE1 PHE A 17 -12.388 10.543 -10.697 1.00 0.00 C ATOM 237 CE2 PHE A 17 -12.936 10.246 -8.389 1.00 0.00 C ATOM 238 CZ PHE A 17 -13.317 10.575 -9.676 1.00 0.00 C ATOM 0 H PHE A 17 -9.133 7.364 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.454 7.686 -10.054 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.039 9.685 -7.812 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.598 10.072 -9.464 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.359 10.159 -11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.336 9.633 -7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.683 10.799 -11.704 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.661 10.269 -7.589 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.339 10.856 -9.883 1.00 0.00 H new ATOM 248 N GLY A 18 -6.802 7.505 -8.148 1.00 0.00 N ATOM 249 CA GLY A 18 -5.368 7.286 -8.171 1.00 0.00 C ATOM 250 C GLY A 18 -4.759 7.283 -6.783 1.00 0.00 C ATOM 251 O GLY A 18 -5.225 7.994 -5.892 1.00 0.00 O ATOM 0 H GLY A 18 -7.231 7.438 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.157 6.334 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.894 8.064 -8.770 1.00 0.00 H new ATOM 255 N MET A 19 -3.717 6.480 -6.597 1.00 0.00 N ATOM 256 CA MET A 19 -3.045 6.387 -5.306 1.00 0.00 C ATOM 257 C MET A 19 -3.007 7.746 -4.614 1.00 0.00 C ATOM 258 O MET A 19 -3.513 7.901 -3.502 1.00 0.00 O ATOM 259 CB MET A 19 -1.622 5.854 -5.485 1.00 0.00 C ATOM 260 CG MET A 19 -0.783 6.673 -6.452 1.00 0.00 C ATOM 261 SD MET A 19 0.539 5.711 -7.212 1.00 0.00 S ATOM 262 CE MET A 19 1.403 5.115 -5.760 1.00 0.00 C ATOM 0 H MET A 19 -3.320 5.884 -7.323 1.00 0.00 H new ATOM 0 HA MET A 19 -3.609 5.695 -4.680 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.126 5.833 -4.515 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.670 4.825 -5.841 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.427 7.078 -7.233 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.351 7.522 -5.923 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.360 4.686 -6.057 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.574 5.944 -5.073 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.801 4.352 -5.266 1.00 0.00 H new ATOM 272 N ASP A 20 -2.405 8.726 -5.278 1.00 0.00 N ATOM 273 CA ASP A 20 -2.302 10.073 -4.726 1.00 0.00 C ATOM 274 C ASP A 20 -3.514 10.398 -3.858 1.00 0.00 C ATOM 275 O ASP A 20 -3.372 10.867 -2.730 1.00 0.00 O ATOM 276 CB ASP A 20 -2.175 11.100 -5.852 1.00 0.00 C ATOM 277 CG ASP A 20 -1.858 12.489 -5.336 1.00 0.00 C ATOM 278 OD1 ASP A 20 -1.088 12.597 -4.359 1.00 0.00 O ATOM 279 OD2 ASP A 20 -2.381 13.469 -5.907 1.00 0.00 O ATOM 0 H ASP A 20 -1.981 8.614 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.409 10.117 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.392 10.784 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.105 11.130 -6.419 1.00 0.00 H new ATOM 284 N GLU A 21 -4.704 10.147 -4.395 1.00 0.00 N ATOM 285 CA GLU A 21 -5.940 10.416 -3.669 1.00 0.00 C ATOM 286 C GLU A 21 -6.001 9.603 -2.379 1.00 0.00 C ATOM 287 O GLU A 21 -6.402 10.110 -1.332 1.00 0.00 O ATOM 288 CB GLU A 21 -7.152 10.094 -4.545 1.00 0.00 C ATOM 289 CG GLU A 21 -7.556 11.233 -5.468 1.00 0.00 C ATOM 290 CD GLU A 21 -8.073 12.441 -4.711 1.00 0.00 C ATOM 291 OE1 GLU A 21 -8.663 12.253 -3.626 1.00 0.00 O ATOM 292 OE2 GLU A 21 -7.889 13.573 -5.204 1.00 0.00 O ATOM 0 H GLU A 21 -4.838 9.758 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.957 11.475 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.931 9.212 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.996 9.840 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.698 11.527 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.326 10.883 -6.156 1.00 0.00 H new ATOM 299 N ALA A 22 -5.601 8.338 -2.464 1.00 0.00 N ATOM 300 CA ALA A 22 -5.609 7.455 -1.304 1.00 0.00 C ATOM 301 C ALA A 22 -4.530 7.853 -0.304 1.00 0.00 C ATOM 302 O ALA A 22 -4.773 7.897 0.903 1.00 0.00 O ATOM 303 CB ALA A 22 -5.420 6.010 -1.741 1.00 0.00 C ATOM 0 H ALA A 22 -5.268 7.902 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.576 7.551 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.428 5.361 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.230 5.724 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.467 5.908 -2.259 1.00 0.00 H new ATOM 309 N LEU A 23 -3.337 8.143 -0.811 1.00 0.00 N ATOM 310 CA LEU A 23 -2.219 8.537 0.039 1.00 0.00 C ATOM 311 C LEU A 23 -2.603 9.712 0.932 1.00 0.00 C ATOM 312 O LEU A 23 -2.455 9.652 2.153 1.00 0.00 O ATOM 313 CB LEU A 23 -1.007 8.908 -0.818 1.00 0.00 C ATOM 314 CG LEU A 23 -0.710 7.980 -1.997 1.00 0.00 C ATOM 315 CD1 LEU A 23 0.533 8.444 -2.741 1.00 0.00 C ATOM 316 CD2 LEU A 23 -0.543 6.546 -1.518 1.00 0.00 C ATOM 0 H LEU A 23 -3.119 8.113 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.961 7.690 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.155 9.917 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.128 8.938 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.555 8.016 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.729 7.772 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.376 9.455 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.386 8.438 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.332 5.900 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.284 6.493 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.460 6.216 -1.031 1.00 0.00 H new ATOM 328 N LYS A 24 -3.097 10.781 0.316 1.00 0.00 N ATOM 329 CA LYS A 24 -3.506 11.969 1.055 1.00 0.00 C ATOM 330 C LYS A 24 -4.609 11.636 2.055 1.00 0.00 C ATOM 331 O LYS A 24 -4.690 12.237 3.126 1.00 0.00 O ATOM 332 CB LYS A 24 -3.989 13.054 0.089 1.00 0.00 C ATOM 333 CG LYS A 24 -5.453 12.920 -0.293 1.00 0.00 C ATOM 334 CD LYS A 24 -6.049 14.258 -0.698 1.00 0.00 C ATOM 335 CE LYS A 24 -7.507 14.369 -0.279 1.00 0.00 C ATOM 336 NZ LYS A 24 -7.652 15.000 1.062 1.00 0.00 N ATOM 0 H LYS A 24 -3.224 10.849 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.641 12.339 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.829 14.031 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.382 13.020 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.552 12.213 -1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.013 12.511 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.476 15.066 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.969 14.381 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.053 14.956 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.957 13.376 -0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.660 15.058 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.152 14.427 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.245 15.957 1.041 1.00 0.00 H new ATOM 350 N ASP A 25 -5.454 10.676 1.698 1.00 0.00 N ATOM 351 CA ASP A 25 -6.551 10.261 2.565 1.00 0.00 C ATOM 352 C ASP A 25 -6.091 9.188 3.547 1.00 0.00 C ATOM 353 O ASP A 25 -5.357 8.263 3.196 1.00 0.00 O ATOM 354 CB ASP A 25 -7.720 9.738 1.730 1.00 0.00 C ATOM 355 CG ASP A 25 -9.051 9.883 2.442 1.00 0.00 C ATOM 356 OD1 ASP A 25 -9.357 9.034 3.305 1.00 0.00 O ATOM 357 OD2 ASP A 25 -9.786 10.845 2.136 1.00 0.00 O ATOM 0 H ASP A 25 -5.401 10.170 0.814 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.881 11.131 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.757 10.278 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.551 8.688 1.492 1.00 0.00 H new ATOM 362 N PRO A 26 -6.529 9.312 4.809 1.00 0.00 N ATOM 363 CA PRO A 26 -6.175 8.363 5.868 1.00 0.00 C ATOM 364 C PRO A 26 -6.832 7.001 5.669 1.00 0.00 C ATOM 365 O PRO A 26 -6.165 5.968 5.701 1.00 0.00 O ATOM 366 CB PRO A 26 -6.705 9.033 7.137 1.00 0.00 C ATOM 367 CG PRO A 26 -7.809 9.915 6.667 1.00 0.00 C ATOM 368 CD PRO A 26 -7.406 10.389 5.298 1.00 0.00 C ATOM 0 HA PRO A 26 -5.104 8.161 5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.066 8.295 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.925 9.607 7.637 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.753 9.372 6.630 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.952 10.756 7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.271 10.528 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.883 11.345 5.341 1.00 0.00 H new ATOM 376 N VAL A 27 -8.146 7.008 5.465 1.00 0.00 N ATOM 377 CA VAL A 27 -8.894 5.773 5.260 1.00 0.00 C ATOM 378 C VAL A 27 -8.446 5.064 3.986 1.00 0.00 C ATOM 379 O VAL A 27 -8.373 3.837 3.940 1.00 0.00 O ATOM 380 CB VAL A 27 -10.408 6.041 5.179 1.00 0.00 C ATOM 381 CG1 VAL A 27 -11.164 4.753 4.892 1.00 0.00 C ATOM 382 CG2 VAL A 27 -10.904 6.685 6.465 1.00 0.00 C ATOM 0 H VAL A 27 -8.714 7.855 5.437 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.691 5.134 6.119 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.594 6.733 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.232 4.962 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.828 4.338 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.975 4.035 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.976 6.868 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.707 6.019 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.385 7.631 6.622 1.00 0.00 H new ATOM 392 N GLY A 28 -8.145 5.847 2.954 1.00 0.00 N ATOM 393 CA GLY A 28 -7.707 5.276 1.694 1.00 0.00 C ATOM 394 C GLY A 28 -6.346 4.617 1.797 1.00 0.00 C ATOM 395 O GLY A 28 -6.078 3.623 1.123 1.00 0.00 O ATOM 0 H GLY A 28 -8.197 6.866 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.438 4.541 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.671 6.059 0.937 1.00 0.00 H new ATOM 399 N ARG A 29 -5.484 5.173 2.642 1.00 0.00 N ATOM 400 CA ARG A 29 -4.142 4.635 2.829 1.00 0.00 C ATOM 401 C ARG A 29 -4.196 3.248 3.462 1.00 0.00 C ATOM 402 O ARG A 29 -3.551 2.314 2.989 1.00 0.00 O ATOM 403 CB ARG A 29 -3.310 5.574 3.704 1.00 0.00 C ATOM 404 CG ARG A 29 -2.525 6.608 2.913 1.00 0.00 C ATOM 405 CD ARG A 29 -1.597 7.410 3.812 1.00 0.00 C ATOM 406 NE ARG A 29 -2.332 8.333 4.673 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.753 9.292 5.386 1.00 0.00 C ATOM 408 NH1 ARG A 29 -0.438 9.455 5.340 1.00 0.00 N ATOM 409 NH2 ARG A 29 -2.489 10.092 6.146 1.00 0.00 N ATOM 0 H ARG A 29 -5.691 5.996 3.208 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.672 4.551 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.971 6.088 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.616 4.982 4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.942 6.110 2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.216 7.282 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.011 6.728 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.892 7.970 3.198 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.346 8.236 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.132 8.843 4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.004 10.193 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.501 9.971 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.043 10.828 6.693 1.00 0.00 H new ATOM 423 N GLU A 30 -4.971 3.122 4.536 1.00 0.00 N ATOM 424 CA GLU A 30 -5.108 1.849 5.234 1.00 0.00 C ATOM 425 C GLU A 30 -5.945 0.869 4.418 1.00 0.00 C ATOM 426 O GLU A 30 -5.581 -0.297 4.266 1.00 0.00 O ATOM 427 CB GLU A 30 -5.746 2.062 6.608 1.00 0.00 C ATOM 428 CG GLU A 30 -7.265 2.074 6.578 1.00 0.00 C ATOM 429 CD GLU A 30 -7.872 2.384 7.933 1.00 0.00 C ATOM 430 OE1 GLU A 30 -8.028 3.581 8.253 1.00 0.00 O ATOM 431 OE2 GLU A 30 -8.192 1.430 8.673 1.00 0.00 O ATOM 0 H GLU A 30 -5.513 3.886 4.941 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.112 1.427 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.410 1.273 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.392 3.006 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.605 2.814 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.626 1.104 6.236 1.00 0.00 H new ATOM 438 N GLN A 31 -7.069 1.351 3.896 1.00 0.00 N ATOM 439 CA GLN A 31 -7.959 0.517 3.097 1.00 0.00 C ATOM 440 C GLN A 31 -7.209 -0.118 1.931 1.00 0.00 C ATOM 441 O GLN A 31 -7.201 -1.339 1.775 1.00 0.00 O ATOM 442 CB GLN A 31 -9.134 1.344 2.574 1.00 0.00 C ATOM 443 CG GLN A 31 -10.191 1.633 3.627 1.00 0.00 C ATOM 444 CD GLN A 31 -10.889 0.379 4.114 1.00 0.00 C ATOM 445 OE1 GLN A 31 -11.310 -0.460 3.316 1.00 0.00 O ATOM 446 NE2 GLN A 31 -11.016 0.243 5.428 1.00 0.00 N ATOM 0 H GLN A 31 -7.384 2.314 4.012 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.341 -0.279 3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.757 2.288 2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.598 0.815 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.726 2.137 4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.931 2.319 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.652 0.963 6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.477 -0.581 5.813 1.00 0.00 H new ATOM 455 N PHE A 32 -6.579 0.719 1.113 1.00 0.00 N ATOM 456 CA PHE A 32 -5.826 0.240 -0.040 1.00 0.00 C ATOM 457 C PHE A 32 -4.758 -0.763 0.385 1.00 0.00 C ATOM 458 O PHE A 32 -4.381 -1.649 -0.383 1.00 0.00 O ATOM 459 CB PHE A 32 -5.176 1.414 -0.776 1.00 0.00 C ATOM 460 CG PHE A 32 -4.243 0.991 -1.873 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.709 0.259 -2.954 1.00 0.00 C ATOM 462 CD2 PHE A 32 -2.899 1.326 -1.825 1.00 0.00 C ATOM 463 CE1 PHE A 32 -3.851 -0.132 -3.965 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.037 0.938 -2.834 1.00 0.00 C ATOM 465 CZ PHE A 32 -2.514 0.209 -3.905 1.00 0.00 C ATOM 0 H PHE A 32 -6.575 1.733 1.227 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.522 -0.261 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.958 2.045 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.627 2.023 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.754 -0.009 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.521 1.897 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.226 -0.704 -4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.992 1.205 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.843 -0.094 -4.695 1.00 0.00 H new ATOM 475 N LEU A 33 -4.273 -0.615 1.613 1.00 0.00 N ATOM 476 CA LEU A 33 -3.247 -1.507 2.142 1.00 0.00 C ATOM 477 C LEU A 33 -3.826 -2.885 2.444 1.00 0.00 C ATOM 478 O LEU A 33 -3.259 -3.908 2.057 1.00 0.00 O ATOM 479 CB LEU A 33 -2.630 -0.912 3.409 1.00 0.00 C ATOM 480 CG LEU A 33 -1.991 -1.909 4.377 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.539 -2.161 4.001 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.093 -1.403 5.808 1.00 0.00 C ATOM 0 H LEU A 33 -4.573 0.114 2.261 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.471 -1.617 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.872 -0.186 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.405 -0.363 3.944 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.532 -2.852 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.100 -2.873 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.490 -2.568 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.015 -1.223 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.633 -2.125 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.577 -0.447 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.142 -1.274 6.074 1.00 0.00 H new ATOM 494 N LYS A 34 -4.960 -2.906 3.136 1.00 0.00 N ATOM 495 CA LYS A 34 -5.620 -4.158 3.488 1.00 0.00 C ATOM 496 C LYS A 34 -5.531 -5.160 2.341 1.00 0.00 C ATOM 497 O LYS A 34 -4.973 -6.247 2.495 1.00 0.00 O ATOM 498 CB LYS A 34 -7.086 -3.903 3.844 1.00 0.00 C ATOM 499 CG LYS A 34 -7.271 -2.966 5.025 1.00 0.00 C ATOM 500 CD LYS A 34 -8.611 -3.186 5.707 1.00 0.00 C ATOM 501 CE LYS A 34 -8.871 -2.135 6.776 1.00 0.00 C ATOM 502 NZ LYS A 34 -8.021 -2.347 7.980 1.00 0.00 N ATOM 0 H LYS A 34 -5.442 -2.069 3.465 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.110 -4.578 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.594 -3.484 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.568 -4.855 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.466 -3.122 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.200 -1.933 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.408 -3.156 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.633 -4.178 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.678 -1.144 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.922 -2.162 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.228 -1.611 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.223 -3.283 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.018 -2.296 7.710 1.00 0.00 H new ATOM 516 N PHE A 35 -6.084 -4.788 1.191 1.00 0.00 N ATOM 517 CA PHE A 35 -6.066 -5.655 0.019 1.00 0.00 C ATOM 518 C PHE A 35 -4.641 -6.079 -0.322 1.00 0.00 C ATOM 519 O PHE A 35 -4.372 -7.258 -0.560 1.00 0.00 O ATOM 520 CB PHE A 35 -6.698 -4.941 -1.178 1.00 0.00 C ATOM 521 CG PHE A 35 -6.553 -5.694 -2.470 1.00 0.00 C ATOM 522 CD1 PHE A 35 -5.371 -5.639 -3.190 1.00 0.00 C ATOM 523 CD2 PHE A 35 -7.599 -6.457 -2.963 1.00 0.00 C ATOM 524 CE1 PHE A 35 -5.236 -6.330 -4.379 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.469 -7.152 -4.151 1.00 0.00 C ATOM 526 CZ PHE A 35 -6.286 -7.089 -4.860 1.00 0.00 C ATOM 0 H PHE A 35 -6.550 -3.892 1.046 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.646 -6.548 0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.757 -4.780 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.241 -3.957 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.546 -5.050 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.527 -6.509 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.310 -6.277 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.292 -7.744 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.181 -7.631 -5.788 1.00 0.00 H new ATOM 536 N LEU A 36 -3.731 -5.112 -0.345 1.00 0.00 N ATOM 537 CA LEU A 36 -2.332 -5.384 -0.657 1.00 0.00 C ATOM 538 C LEU A 36 -1.797 -6.531 0.194 1.00 0.00 C ATOM 539 O LEU A 36 -1.335 -7.543 -0.331 1.00 0.00 O ATOM 540 CB LEU A 36 -1.486 -4.130 -0.434 1.00 0.00 C ATOM 541 CG LEU A 36 -1.285 -3.229 -1.653 1.00 0.00 C ATOM 542 CD1 LEU A 36 -2.501 -3.286 -2.564 1.00 0.00 C ATOM 543 CD2 LEU A 36 -1.008 -1.797 -1.219 1.00 0.00 C ATOM 0 H LEU A 36 -3.937 -4.132 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.269 -5.675 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.949 -3.540 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.506 -4.438 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.421 -3.591 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.340 -2.639 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.654 -4.311 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.382 -2.949 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.868 -1.171 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.851 -1.423 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.106 -1.770 -0.607 1.00 0.00 H new ATOM 555 N GLU A 37 -1.866 -6.365 1.511 1.00 0.00 N ATOM 556 CA GLU A 37 -1.390 -7.388 2.435 1.00 0.00 C ATOM 557 C GLU A 37 -1.857 -8.774 2.000 1.00 0.00 C ATOM 558 O GLU A 37 -1.095 -9.740 2.044 1.00 0.00 O ATOM 559 CB GLU A 37 -1.881 -7.094 3.854 1.00 0.00 C ATOM 560 CG GLU A 37 -1.458 -5.731 4.375 1.00 0.00 C ATOM 561 CD GLU A 37 -1.491 -5.649 5.888 1.00 0.00 C ATOM 562 OE1 GLU A 37 -0.841 -6.489 6.543 1.00 0.00 O ATOM 563 OE2 GLU A 37 -2.169 -4.743 6.418 1.00 0.00 O ATOM 0 H GLU A 37 -2.246 -5.533 1.962 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.300 -7.371 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.969 -7.159 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.503 -7.864 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.450 -5.509 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.115 -4.967 3.959 1.00 0.00 H new ATOM 570 N SER A 38 -3.115 -8.864 1.581 1.00 0.00 N ATOM 571 CA SER A 38 -3.686 -10.132 1.142 1.00 0.00 C ATOM 572 C SER A 38 -2.949 -10.664 -0.084 1.00 0.00 C ATOM 573 O SER A 38 -2.535 -11.822 -0.117 1.00 0.00 O ATOM 574 CB SER A 38 -5.173 -9.962 0.823 1.00 0.00 C ATOM 575 OG SER A 38 -5.940 -9.858 2.010 1.00 0.00 O ATOM 0 H SER A 38 -3.758 -8.074 1.536 1.00 0.00 H new ATOM 0 HA SER A 38 -3.575 -10.853 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.318 -9.070 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.521 -10.811 0.234 1.00 0.00 H new ATOM 0 HG SER A 38 -6.886 -9.748 1.780 1.00 0.00 H new ATOM 581 N GLU A 39 -2.791 -9.809 -1.089 1.00 0.00 N ATOM 582 CA GLU A 39 -2.105 -10.193 -2.317 1.00 0.00 C ATOM 583 C GLU A 39 -0.591 -10.156 -2.130 1.00 0.00 C ATOM 584 O GLU A 39 0.167 -10.235 -3.096 1.00 0.00 O ATOM 585 CB GLU A 39 -2.511 -9.267 -3.465 1.00 0.00 C ATOM 586 CG GLU A 39 -2.035 -7.834 -3.289 1.00 0.00 C ATOM 587 CD GLU A 39 -1.766 -7.142 -4.611 1.00 0.00 C ATOM 588 OE1 GLU A 39 -1.271 -7.813 -5.541 1.00 0.00 O ATOM 589 OE2 GLU A 39 -2.049 -5.931 -4.715 1.00 0.00 O ATOM 0 H GLU A 39 -3.128 -8.846 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.398 -11.214 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.110 -9.662 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.597 -9.271 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.786 -7.271 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.125 -7.828 -2.689 1.00 0.00 H new ATOM 596 N PHE A 40 -0.159 -10.034 -0.879 1.00 0.00 N ATOM 597 CA PHE A 40 1.264 -9.985 -0.563 1.00 0.00 C ATOM 598 C PHE A 40 1.967 -8.912 -1.390 1.00 0.00 C ATOM 599 O PHE A 40 3.084 -9.114 -1.867 1.00 0.00 O ATOM 600 CB PHE A 40 1.912 -11.347 -0.817 1.00 0.00 C ATOM 601 CG PHE A 40 1.097 -12.503 -0.311 1.00 0.00 C ATOM 602 CD1 PHE A 40 0.002 -12.961 -1.025 1.00 0.00 C ATOM 603 CD2 PHE A 40 1.426 -13.131 0.879 1.00 0.00 C ATOM 604 CE1 PHE A 40 -0.750 -14.024 -0.561 1.00 0.00 C ATOM 605 CE2 PHE A 40 0.678 -14.194 1.349 1.00 0.00 C ATOM 606 CZ PHE A 40 -0.411 -14.642 0.627 1.00 0.00 C ATOM 0 H PHE A 40 -0.774 -9.967 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 40 1.368 -9.733 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.075 -11.469 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.892 -11.368 -0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.267 -12.482 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.278 -12.786 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.602 -14.371 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.945 -14.674 2.279 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.996 -15.474 0.991 1.00 0.00 H new ATOM 616 N SER A 41 1.305 -7.772 -1.556 1.00 0.00 N ATOM 617 CA SER A 41 1.863 -6.669 -2.328 1.00 0.00 C ATOM 618 C SER A 41 2.201 -5.488 -1.423 1.00 0.00 C ATOM 619 O SER A 41 3.059 -4.667 -1.749 1.00 0.00 O ATOM 620 CB SER A 41 0.879 -6.228 -3.413 1.00 0.00 C ATOM 621 OG SER A 41 -0.312 -5.714 -2.843 1.00 0.00 O ATOM 0 H SER A 41 0.381 -7.588 -1.166 1.00 0.00 H new ATOM 0 HA SER A 41 2.781 -7.018 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.343 -5.468 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.641 -7.074 -4.058 1.00 0.00 H new ATOM 0 HG SER A 41 -0.777 -5.158 -3.503 1.00 0.00 H new ATOM 627 N SER A 42 1.521 -5.410 -0.283 1.00 0.00 N ATOM 628 CA SER A 42 1.745 -4.329 0.669 1.00 0.00 C ATOM 629 C SER A 42 3.219 -3.935 0.706 1.00 0.00 C ATOM 630 O SER A 42 3.556 -2.752 0.683 1.00 0.00 O ATOM 631 CB SER A 42 1.282 -4.746 2.066 1.00 0.00 C ATOM 632 OG SER A 42 1.712 -3.817 3.045 1.00 0.00 O ATOM 0 H SER A 42 0.810 -6.083 0.003 1.00 0.00 H new ATOM 0 HA SER A 42 1.164 -3.466 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.195 -4.821 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.674 -5.735 2.302 1.00 0.00 H new ATOM 0 HG SER A 42 1.543 -4.182 3.939 1.00 0.00 H new ATOM 638 N GLU A 43 4.091 -4.936 0.764 1.00 0.00 N ATOM 639 CA GLU A 43 5.529 -4.694 0.805 1.00 0.00 C ATOM 640 C GLU A 43 5.896 -3.457 -0.009 1.00 0.00 C ATOM 641 O GLU A 43 6.565 -2.552 0.486 1.00 0.00 O ATOM 642 CB GLU A 43 6.289 -5.912 0.275 1.00 0.00 C ATOM 643 CG GLU A 43 5.787 -7.233 0.834 1.00 0.00 C ATOM 644 CD GLU A 43 6.577 -8.421 0.321 1.00 0.00 C ATOM 645 OE1 GLU A 43 7.821 -8.324 0.260 1.00 0.00 O ATOM 646 OE2 GLU A 43 5.953 -9.447 -0.020 1.00 0.00 O ATOM 0 H GLU A 43 3.828 -5.921 0.784 1.00 0.00 H new ATOM 0 HA GLU A 43 5.813 -4.521 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.211 -5.934 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.346 -5.803 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.842 -7.207 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.737 -7.359 0.571 1.00 0.00 H new ATOM 653 N ASN A 44 5.454 -3.429 -1.262 1.00 0.00 N ATOM 654 CA ASN A 44 5.736 -2.304 -2.147 1.00 0.00 C ATOM 655 C ASN A 44 5.307 -0.987 -1.507 1.00 0.00 C ATOM 656 O ASN A 44 6.109 -0.064 -1.361 1.00 0.00 O ATOM 657 CB ASN A 44 5.022 -2.490 -3.487 1.00 0.00 C ATOM 658 CG ASN A 44 5.325 -3.833 -4.123 1.00 0.00 C ATOM 659 OD1 ASN A 44 5.987 -4.681 -3.523 1.00 0.00 O ATOM 660 ND2 ASN A 44 4.842 -4.033 -5.343 1.00 0.00 N ATOM 0 H ASN A 44 4.899 -4.172 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 44 6.812 -2.270 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.946 -2.396 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.320 -1.693 -4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.014 -4.917 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.299 -3.302 -5.802 1.00 0.00 H new ATOM 667 N LEU A 45 4.037 -0.907 -1.127 1.00 0.00 N ATOM 668 CA LEU A 45 3.499 0.296 -0.502 1.00 0.00 C ATOM 669 C LEU A 45 4.253 0.626 0.782 1.00 0.00 C ATOM 670 O LEU A 45 4.871 1.684 0.897 1.00 0.00 O ATOM 671 CB LEU A 45 2.010 0.117 -0.201 1.00 0.00 C ATOM 672 CG LEU A 45 1.314 1.301 0.471 1.00 0.00 C ATOM 673 CD1 LEU A 45 1.343 2.522 -0.435 1.00 0.00 C ATOM 674 CD2 LEU A 45 -0.118 0.940 0.837 1.00 0.00 C ATOM 0 H LEU A 45 3.360 -1.661 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 45 3.625 1.125 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.494 -0.099 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.892 -0.758 0.437 1.00 0.00 H new ATOM 0 HG LEU A 45 1.853 1.542 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.843 3.354 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.377 2.794 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.830 2.294 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.598 1.794 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.668 0.672 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.116 0.094 1.525 1.00 0.00 H new ATOM 686 N ARG A 46 4.199 -0.289 1.745 1.00 0.00 N ATOM 687 CA ARG A 46 4.878 -0.096 3.021 1.00 0.00 C ATOM 688 C ARG A 46 6.248 0.543 2.817 1.00 0.00 C ATOM 689 O ARG A 46 6.608 1.499 3.505 1.00 0.00 O ATOM 690 CB ARG A 46 5.030 -1.432 3.749 1.00 0.00 C ATOM 691 CG ARG A 46 3.817 -1.814 4.581 1.00 0.00 C ATOM 692 CD ARG A 46 4.170 -2.846 5.641 1.00 0.00 C ATOM 693 NE ARG A 46 4.862 -2.247 6.779 1.00 0.00 N ATOM 694 CZ ARG A 46 4.245 -1.568 7.740 1.00 0.00 C ATOM 695 NH1 ARG A 46 2.930 -1.404 7.701 1.00 0.00 N ATOM 696 NH2 ARG A 46 4.944 -1.053 8.743 1.00 0.00 N ATOM 0 H ARG A 46 3.692 -1.171 1.666 1.00 0.00 H new ATOM 0 HA ARG A 46 4.271 0.574 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.219 -2.216 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.905 -1.385 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.408 -0.924 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.039 -2.212 3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.260 -3.336 5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.800 -3.618 5.199 1.00 0.00 H new ATOM 0 HE ARG A 46 5.874 -2.356 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.389 -1.800 6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.459 -0.882 8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.956 -1.178 8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.470 -0.532 9.480 1.00 0.00 H new ATOM 710 N PHE A 47 7.009 0.009 1.867 1.00 0.00 N ATOM 711 CA PHE A 47 8.340 0.526 1.573 1.00 0.00 C ATOM 712 C PHE A 47 8.273 1.985 1.134 1.00 0.00 C ATOM 713 O PHE A 47 9.060 2.817 1.585 1.00 0.00 O ATOM 714 CB PHE A 47 9.008 -0.316 0.483 1.00 0.00 C ATOM 715 CG PHE A 47 10.166 0.373 -0.181 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.217 0.870 0.571 1.00 0.00 C ATOM 717 CD2 PHE A 47 10.202 0.523 -1.558 1.00 0.00 C ATOM 718 CE1 PHE A 47 12.284 1.504 -0.038 1.00 0.00 C ATOM 719 CE2 PHE A 47 11.266 1.156 -2.173 1.00 0.00 C ATOM 720 CZ PHE A 47 12.309 1.647 -1.411 1.00 0.00 C ATOM 0 H PHE A 47 6.726 -0.782 1.288 1.00 0.00 H new ATOM 0 HA PHE A 47 8.935 0.467 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.355 -1.253 0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.266 -0.572 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.203 0.761 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.389 0.141 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.098 1.887 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.282 1.267 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.142 2.142 -1.888 1.00 0.00 H new ATOM 730 N TRP A 48 7.328 2.288 0.251 1.00 0.00 N ATOM 731 CA TRP A 48 7.157 3.647 -0.250 1.00 0.00 C ATOM 732 C TRP A 48 6.943 4.628 0.898 1.00 0.00 C ATOM 733 O TRP A 48 7.703 5.583 1.061 1.00 0.00 O ATOM 734 CB TRP A 48 5.975 3.711 -1.218 1.00 0.00 C ATOM 735 CG TRP A 48 5.979 4.937 -2.080 1.00 0.00 C ATOM 736 CD1 TRP A 48 6.817 5.201 -3.125 1.00 0.00 C ATOM 737 CD2 TRP A 48 5.104 6.065 -1.970 1.00 0.00 C ATOM 738 NE1 TRP A 48 6.516 6.426 -3.671 1.00 0.00 N ATOM 739 CE2 TRP A 48 5.469 6.976 -2.981 1.00 0.00 C ATOM 740 CE3 TRP A 48 4.047 6.394 -1.117 1.00 0.00 C ATOM 741 CZ2 TRP A 48 4.814 8.191 -3.159 1.00 0.00 C ATOM 742 CZ3 TRP A 48 3.398 7.601 -1.295 1.00 0.00 C ATOM 743 CH2 TRP A 48 3.783 8.487 -2.310 1.00 0.00 C ATOM 0 H TRP A 48 6.669 1.611 -0.133 1.00 0.00 H new ATOM 0 HA TRP A 48 8.067 3.929 -0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.989 2.827 -1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.046 3.679 -0.649 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.601 4.544 -3.472 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.995 6.856 -4.462 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.743 5.717 -0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.109 8.876 -3.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.580 7.866 -0.641 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.255 9.422 -2.424 1.00 0.00 H new ATOM 754 N LEU A 49 5.906 4.385 1.692 1.00 0.00 N ATOM 755 CA LEU A 49 5.593 5.248 2.826 1.00 0.00 C ATOM 756 C LEU A 49 6.791 5.372 3.763 1.00 0.00 C ATOM 757 O LEU A 49 7.107 6.461 4.241 1.00 0.00 O ATOM 758 CB LEU A 49 4.388 4.699 3.592 1.00 0.00 C ATOM 759 CG LEU A 49 3.078 4.610 2.807 1.00 0.00 C ATOM 760 CD1 LEU A 49 2.050 3.795 3.576 1.00 0.00 C ATOM 761 CD2 LEU A 49 2.542 6.002 2.506 1.00 0.00 C ATOM 0 H LEU A 49 5.268 3.598 1.572 1.00 0.00 H new ATOM 0 HA LEU A 49 5.351 6.239 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.638 3.703 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.222 5.327 4.467 1.00 0.00 H new ATOM 0 HG LEU A 49 3.276 4.106 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.125 3.742 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.433 2.788 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.854 4.270 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.610 5.920 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.359 6.532 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.273 6.553 1.914 1.00 0.00 H new ATOM 773 N ALA A 50 7.455 4.249 4.018 1.00 0.00 N ATOM 774 CA ALA A 50 8.620 4.233 4.894 1.00 0.00 C ATOM 775 C ALA A 50 9.571 5.379 4.563 1.00 0.00 C ATOM 776 O ALA A 50 10.026 6.097 5.453 1.00 0.00 O ATOM 777 CB ALA A 50 9.342 2.898 4.787 1.00 0.00 C ATOM 0 H ALA A 50 7.206 3.339 3.630 1.00 0.00 H new ATOM 0 HA ALA A 50 8.275 4.366 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.210 2.900 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.666 2.094 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.668 2.742 3.759 1.00 0.00 H new ATOM 783 N VAL A 51 9.867 5.544 3.278 1.00 0.00 N ATOM 784 CA VAL A 51 10.763 6.603 2.830 1.00 0.00 C ATOM 785 C VAL A 51 10.252 7.974 3.258 1.00 0.00 C ATOM 786 O VAL A 51 11.006 8.791 3.785 1.00 0.00 O ATOM 787 CB VAL A 51 10.931 6.585 1.299 1.00 0.00 C ATOM 788 CG1 VAL A 51 11.831 7.725 0.847 1.00 0.00 C ATOM 789 CG2 VAL A 51 11.484 5.245 0.839 1.00 0.00 C ATOM 0 H VAL A 51 9.499 4.958 2.529 1.00 0.00 H new ATOM 0 HA VAL A 51 11.730 6.418 3.297 1.00 0.00 H new ATOM 0 HB VAL A 51 9.951 6.724 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.938 7.696 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.389 8.677 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.812 7.620 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.596 5.250 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.455 5.073 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.798 4.449 1.129 1.00 0.00 H new ATOM 799 N GLU A 52 8.966 8.218 3.028 1.00 0.00 N ATOM 800 CA GLU A 52 8.354 9.491 3.391 1.00 0.00 C ATOM 801 C GLU A 52 8.675 9.857 4.837 1.00 0.00 C ATOM 802 O GLU A 52 9.091 10.978 5.128 1.00 0.00 O ATOM 803 CB GLU A 52 6.838 9.429 3.193 1.00 0.00 C ATOM 804 CG GLU A 52 6.403 9.643 1.753 1.00 0.00 C ATOM 805 CD GLU A 52 7.287 8.913 0.762 1.00 0.00 C ATOM 806 OE1 GLU A 52 8.472 9.286 0.635 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.794 7.967 0.112 1.00 0.00 O ATOM 0 H GLU A 52 8.328 7.552 2.592 1.00 0.00 H new ATOM 0 HA GLU A 52 8.767 10.261 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.475 8.459 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.367 10.184 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.374 9.304 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.416 10.710 1.528 1.00 0.00 H new ATOM 814 N ASP A 53 8.476 8.902 5.740 1.00 0.00 N ATOM 815 CA ASP A 53 8.744 9.122 7.157 1.00 0.00 C ATOM 816 C ASP A 53 10.236 9.322 7.403 1.00 0.00 C ATOM 817 O ASP A 53 10.640 10.224 8.139 1.00 0.00 O ATOM 818 CB ASP A 53 8.232 7.942 7.984 1.00 0.00 C ATOM 819 CG ASP A 53 6.763 7.658 7.738 1.00 0.00 C ATOM 820 OD1 ASP A 53 6.419 7.249 6.610 1.00 0.00 O ATOM 821 OD2 ASP A 53 5.958 7.844 8.675 1.00 0.00 O ATOM 0 H ASP A 53 8.130 7.969 5.516 1.00 0.00 H new ATOM 0 HA ASP A 53 8.219 10.026 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.816 7.053 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.387 8.150 9.043 1.00 0.00 H new ATOM 826 N LEU A 54 11.052 8.475 6.783 1.00 0.00 N ATOM 827 CA LEU A 54 12.500 8.558 6.936 1.00 0.00 C ATOM 828 C LEU A 54 12.953 10.010 7.056 1.00 0.00 C ATOM 829 O LEU A 54 13.643 10.380 8.006 1.00 0.00 O ATOM 830 CB LEU A 54 13.196 7.891 5.748 1.00 0.00 C ATOM 831 CG LEU A 54 14.724 7.861 5.796 1.00 0.00 C ATOM 832 CD1 LEU A 54 15.205 7.031 6.976 1.00 0.00 C ATOM 833 CD2 LEU A 54 15.288 7.315 4.493 1.00 0.00 C ATOM 0 H LEU A 54 10.735 7.724 6.170 1.00 0.00 H new ATOM 0 HA LEU A 54 12.775 8.035 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.835 6.866 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.891 8.407 4.837 1.00 0.00 H new ATOM 0 HG LEU A 54 15.084 8.882 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.295 7.021 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.831 7.465 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.835 6.011 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.377 7.301 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.919 6.302 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.973 7.951 3.665 1.00 0.00 H new ATOM 845 N LYS A 55 12.559 10.829 6.087 1.00 0.00 N ATOM 846 CA LYS A 55 12.921 12.242 6.085 1.00 0.00 C ATOM 847 C LYS A 55 12.543 12.902 7.407 1.00 0.00 C ATOM 848 O LYS A 55 13.348 13.610 8.012 1.00 0.00 O ATOM 849 CB LYS A 55 12.230 12.964 4.927 1.00 0.00 C ATOM 850 CG LYS A 55 12.791 12.602 3.563 1.00 0.00 C ATOM 851 CD LYS A 55 11.806 12.921 2.451 1.00 0.00 C ATOM 852 CE LYS A 55 10.908 11.732 2.144 1.00 0.00 C ATOM 853 NZ LYS A 55 9.773 12.108 1.256 1.00 0.00 N ATOM 0 H LYS A 55 11.989 10.539 5.293 1.00 0.00 H new ATOM 0 HA LYS A 55 14.001 12.315 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.166 12.729 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.322 14.040 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.720 13.147 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.036 11.540 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.194 13.776 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.351 13.208 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.496 10.946 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.519 11.321 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.274 11.249 0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.114 12.723 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.136 12.615 0.424 1.00 0.00 H new ATOM 867 N LYS A 56 11.313 12.665 7.852 1.00 0.00 N ATOM 868 CA LYS A 56 10.829 13.234 9.104 1.00 0.00 C ATOM 869 C LYS A 56 11.746 12.858 10.263 1.00 0.00 C ATOM 870 O LYS A 56 12.064 13.692 11.111 1.00 0.00 O ATOM 871 CB LYS A 56 9.404 12.753 9.389 1.00 0.00 C ATOM 872 CG LYS A 56 8.421 13.069 8.275 1.00 0.00 C ATOM 873 CD LYS A 56 8.176 14.563 8.154 1.00 0.00 C ATOM 874 CE LYS A 56 7.455 14.907 6.860 1.00 0.00 C ATOM 875 NZ LYS A 56 8.384 14.926 5.696 1.00 0.00 N ATOM 0 H LYS A 56 10.633 12.082 7.363 1.00 0.00 H new ATOM 0 HA LYS A 56 10.826 14.319 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.419 11.676 9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.053 13.212 10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.805 12.685 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.477 12.559 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.585 14.906 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.128 15.093 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.663 14.180 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.976 15.881 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.855 15.164 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.125 15.638 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.822 13.989 5.586 1.00 0.00 H new ATOM 889 N ARG A 57 12.168 11.598 10.293 1.00 0.00 N ATOM 890 CA ARG A 57 13.048 11.112 11.348 1.00 0.00 C ATOM 891 C ARG A 57 14.283 12.000 11.478 1.00 0.00 C ATOM 892 O ARG A 57 14.847 12.468 10.490 1.00 0.00 O ATOM 893 CB ARG A 57 13.472 9.670 11.064 1.00 0.00 C ATOM 894 CG ARG A 57 12.303 8.712 10.904 1.00 0.00 C ATOM 895 CD ARG A 57 11.600 8.463 12.229 1.00 0.00 C ATOM 896 NE ARG A 57 10.281 7.863 12.046 1.00 0.00 N ATOM 897 CZ ARG A 57 9.287 7.992 12.917 1.00 0.00 C ATOM 898 NH1 ARG A 57 9.462 8.697 14.027 1.00 0.00 N ATOM 899 NH2 ARG A 57 8.116 7.416 12.680 1.00 0.00 N ATOM 0 H ARG A 57 11.914 10.895 9.598 1.00 0.00 H new ATOM 0 HA ARG A 57 12.498 11.143 12.288 1.00 0.00 H new ATOM 0 HB2 ARG A 57 14.075 9.650 10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.109 9.321 11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.593 9.120 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.660 7.766 10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.214 7.807 12.847 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.498 9.405 12.768 1.00 0.00 H new ATOM 0 HE ARG A 57 10.114 7.314 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.361 9.141 14.213 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.697 8.795 14.695 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.978 6.873 11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.354 7.516 13.350 1.00 0.00 H new ATOM 913 N PRO A 58 14.712 12.237 12.727 1.00 0.00 N ATOM 914 CA PRO A 58 15.883 13.070 13.016 1.00 0.00 C ATOM 915 C PRO A 58 17.187 12.404 12.589 1.00 0.00 C ATOM 916 O PRO A 58 17.248 11.186 12.424 1.00 0.00 O ATOM 917 CB PRO A 58 15.838 13.230 14.537 1.00 0.00 C ATOM 918 CG PRO A 58 15.093 12.034 15.022 1.00 0.00 C ATOM 919 CD PRO A 58 14.087 11.711 13.952 1.00 0.00 C ATOM 0 HA PRO A 58 15.855 14.015 12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.841 13.270 14.961 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.334 14.153 14.823 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.768 11.195 15.189 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.600 12.240 15.972 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.905 10.639 13.882 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.125 12.185 14.148 1.00 0.00 H new ATOM 927 N ILE A 59 18.228 13.212 12.413 1.00 0.00 N ATOM 928 CA ILE A 59 19.531 12.700 12.007 1.00 0.00 C ATOM 929 C ILE A 59 19.939 11.500 12.856 1.00 0.00 C ATOM 930 O ILE A 59 20.586 10.573 12.369 1.00 0.00 O ATOM 931 CB ILE A 59 20.620 13.784 12.114 1.00 0.00 C ATOM 932 CG1 ILE A 59 21.817 13.423 11.231 1.00 0.00 C ATOM 933 CG2 ILE A 59 21.055 13.957 13.561 1.00 0.00 C ATOM 934 CD1 ILE A 59 22.618 12.250 11.751 1.00 0.00 C ATOM 0 H ILE A 59 18.194 14.223 12.545 1.00 0.00 H new ATOM 0 HA ILE A 59 19.438 12.391 10.966 1.00 0.00 H new ATOM 0 HB ILE A 59 20.206 14.730 11.765 1.00 0.00 H new ATOM 0 HG12 ILE A 59 21.461 13.193 10.227 1.00 0.00 H new ATOM 0 HG13 ILE A 59 22.471 14.291 11.147 1.00 0.00 H new ATOM 0 HG21 ILE A 59 21.825 14.726 13.620 1.00 0.00 H new ATOM 0 HG22 ILE A 59 20.198 14.254 14.166 1.00 0.00 H new ATOM 0 HG23 ILE A 59 21.454 13.015 13.936 1.00 0.00 H new ATOM 0 HD11 ILE A 59 23.450 12.050 11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 59 23.004 12.484 12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.978 11.369 11.809 1.00 0.00 H new ATOM 946 N LYS A 60 19.554 11.523 14.127 1.00 0.00 N ATOM 947 CA LYS A 60 19.876 10.437 15.045 1.00 0.00 C ATOM 948 C LYS A 60 19.228 9.132 14.592 1.00 0.00 C ATOM 949 O LYS A 60 19.778 8.052 14.799 1.00 0.00 O ATOM 950 CB LYS A 60 19.413 10.784 16.461 1.00 0.00 C ATOM 951 CG LYS A 60 17.905 10.910 16.594 1.00 0.00 C ATOM 952 CD LYS A 60 17.500 11.288 18.009 1.00 0.00 C ATOM 953 CE LYS A 60 17.670 12.778 18.259 1.00 0.00 C ATOM 954 NZ LYS A 60 17.409 13.136 19.681 1.00 0.00 N ATOM 0 H LYS A 60 19.018 12.283 14.546 1.00 0.00 H new ATOM 0 HA LYS A 60 20.958 10.304 15.046 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.767 10.016 17.148 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.876 11.723 16.766 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.539 11.663 15.896 1.00 0.00 H new ATOM 0 HG3 LYS A 60 17.434 9.966 16.320 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.461 11.006 18.179 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.103 10.727 18.723 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.682 13.078 17.989 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.990 13.334 17.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.535 14.160 19.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.435 12.873 19.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.075 12.625 20.295 1.00 0.00 H new ATOM 968 N GLU A 61 18.057 9.242 13.972 1.00 0.00 N ATOM 969 CA GLU A 61 17.336 8.070 13.490 1.00 0.00 C ATOM 970 C GLU A 61 17.263 8.065 11.966 1.00 0.00 C ATOM 971 O GLU A 61 16.485 7.317 11.373 1.00 0.00 O ATOM 972 CB GLU A 61 15.924 8.035 14.079 1.00 0.00 C ATOM 973 CG GLU A 61 15.879 7.568 15.525 1.00 0.00 C ATOM 974 CD GLU A 61 14.465 7.480 16.066 1.00 0.00 C ATOM 975 OE1 GLU A 61 13.726 8.481 15.956 1.00 0.00 O ATOM 976 OE2 GLU A 61 14.098 6.413 16.599 1.00 0.00 O ATOM 0 H GLU A 61 17.588 10.130 13.792 1.00 0.00 H new ATOM 0 HA GLU A 61 17.879 7.182 13.813 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.488 9.032 14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.303 7.375 13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.355 6.590 15.602 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.458 8.254 16.143 1.00 0.00 H new ATOM 983 N VAL A 62 18.079 8.906 11.338 1.00 0.00 N ATOM 984 CA VAL A 62 18.108 8.999 9.883 1.00 0.00 C ATOM 985 C VAL A 62 18.778 7.776 9.267 1.00 0.00 C ATOM 986 O VAL A 62 18.188 7.050 8.467 1.00 0.00 O ATOM 987 CB VAL A 62 18.849 10.266 9.416 1.00 0.00 C ATOM 988 CG1 VAL A 62 19.548 10.017 8.088 1.00 0.00 C ATOM 989 CG2 VAL A 62 17.885 11.438 9.310 1.00 0.00 C ATOM 0 H VAL A 62 18.728 9.532 11.814 1.00 0.00 H new ATOM 0 HA VAL A 62 17.072 9.049 9.549 1.00 0.00 H new ATOM 0 HB VAL A 62 19.608 10.516 10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.066 10.923 7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.269 9.208 8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 62 18.810 9.741 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.425 12.325 8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 62 17.101 11.201 8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.436 11.629 10.285 1.00 0.00 H new ATOM 999 N PRO A 63 20.042 7.539 9.649 1.00 0.00 N ATOM 1000 CA PRO A 63 20.821 6.402 9.148 1.00 0.00 C ATOM 1001 C PRO A 63 20.307 5.068 9.678 1.00 0.00 C ATOM 1002 O PRO A 63 20.054 4.140 8.911 1.00 0.00 O ATOM 1003 CB PRO A 63 22.232 6.680 9.673 1.00 0.00 C ATOM 1004 CG PRO A 63 22.026 7.526 10.882 1.00 0.00 C ATOM 1005 CD PRO A 63 20.808 8.362 10.600 1.00 0.00 C ATOM 0 HA PRO A 63 20.765 6.316 8.063 1.00 0.00 H new ATOM 0 HB2 PRO A 63 22.752 5.755 9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.837 7.195 8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 63 21.879 6.910 11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 63 22.896 8.155 11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 63 20.239 8.562 11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 63 21.074 9.328 10.172 1.00 0.00 H new ATOM 1013 N SER A 64 20.155 4.980 10.996 1.00 0.00 N ATOM 1014 CA SER A 64 19.674 3.758 11.630 1.00 0.00 C ATOM 1015 C SER A 64 18.504 3.165 10.849 1.00 0.00 C ATOM 1016 O SER A 64 18.390 1.947 10.710 1.00 0.00 O ATOM 1017 CB SER A 64 19.249 4.039 13.072 1.00 0.00 C ATOM 1018 OG SER A 64 20.363 4.399 13.871 1.00 0.00 O ATOM 0 H SER A 64 20.358 5.740 11.645 1.00 0.00 H new ATOM 0 HA SER A 64 20.490 3.035 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.512 4.842 13.087 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.767 3.156 13.491 1.00 0.00 H new ATOM 0 HG SER A 64 20.065 4.575 14.788 1.00 0.00 H new ATOM 1024 N ARG A 65 17.638 4.036 10.343 1.00 0.00 N ATOM 1025 CA ARG A 65 16.476 3.600 9.578 1.00 0.00 C ATOM 1026 C ARG A 65 16.884 3.147 8.179 1.00 0.00 C ATOM 1027 O ARG A 65 16.443 2.103 7.699 1.00 0.00 O ATOM 1028 CB ARG A 65 15.450 4.731 9.479 1.00 0.00 C ATOM 1029 CG ARG A 65 14.016 4.242 9.350 1.00 0.00 C ATOM 1030 CD ARG A 65 13.428 3.875 10.703 1.00 0.00 C ATOM 1031 NE ARG A 65 11.975 4.022 10.726 1.00 0.00 N ATOM 1032 CZ ARG A 65 11.181 3.340 11.544 1.00 0.00 C ATOM 1033 NH1 ARG A 65 11.695 2.469 12.400 1.00 0.00 N ATOM 1034 NH2 ARG A 65 9.868 3.530 11.506 1.00 0.00 N ATOM 0 H ARG A 65 17.719 5.047 10.449 1.00 0.00 H new ATOM 0 HA ARG A 65 16.027 2.754 10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.531 5.363 10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.691 5.355 8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.407 5.017 8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.984 3.374 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.692 2.846 10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.869 4.508 11.474 1.00 0.00 H new ATOM 0 HE ARG A 65 11.547 4.684 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.704 2.320 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.082 1.947 13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.468 4.200 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.259 3.006 12.134 1.00 0.00 H new ATOM 1048 N VAL A 66 17.731 3.940 7.529 1.00 0.00 N ATOM 1049 CA VAL A 66 18.200 3.621 6.186 1.00 0.00 C ATOM 1050 C VAL A 66 18.338 2.114 5.996 1.00 0.00 C ATOM 1051 O VAL A 66 17.614 1.510 5.205 1.00 0.00 O ATOM 1052 CB VAL A 66 19.555 4.291 5.891 1.00 0.00 C ATOM 1053 CG1 VAL A 66 20.167 3.720 4.621 1.00 0.00 C ATOM 1054 CG2 VAL A 66 19.390 5.799 5.782 1.00 0.00 C ATOM 0 H VAL A 66 18.106 4.808 7.911 1.00 0.00 H new ATOM 0 HA VAL A 66 17.454 4.005 5.490 1.00 0.00 H new ATOM 0 HB VAL A 66 20.233 4.081 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 66 21.124 4.205 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.322 2.648 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.495 3.897 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.357 6.257 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.696 6.032 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.998 6.191 6.721 1.00 0.00 H new ATOM 1064 N GLN A 67 19.272 1.515 6.727 1.00 0.00 N ATOM 1065 CA GLN A 67 19.505 0.078 6.638 1.00 0.00 C ATOM 1066 C GLN A 67 18.221 -0.700 6.909 1.00 0.00 C ATOM 1067 O GLN A 67 17.887 -1.636 6.184 1.00 0.00 O ATOM 1068 CB GLN A 67 20.591 -0.346 7.628 1.00 0.00 C ATOM 1069 CG GLN A 67 20.142 -0.301 9.080 1.00 0.00 C ATOM 1070 CD GLN A 67 21.273 -0.581 10.049 1.00 0.00 C ATOM 1071 OE1 GLN A 67 21.729 -1.718 10.178 1.00 0.00 O ATOM 1072 NE2 GLN A 67 21.733 0.456 10.738 1.00 0.00 N ATOM 0 H GLN A 67 19.879 2.001 7.387 1.00 0.00 H new ATOM 0 HA GLN A 67 19.838 -0.148 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 67 20.915 -1.359 7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 67 21.458 0.303 7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 67 19.719 0.680 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 67 19.348 -1.032 9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 67 21.326 1.381 10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 67 22.493 0.328 11.406 1.00 0.00 H new ATOM 1081 N GLU A 68 17.506 -0.305 7.959 1.00 0.00 N ATOM 1082 CA GLU A 68 16.260 -0.966 8.325 1.00 0.00 C ATOM 1083 C GLU A 68 15.304 -1.025 7.137 1.00 0.00 C ATOM 1084 O GLU A 68 14.937 -2.105 6.675 1.00 0.00 O ATOM 1085 CB GLU A 68 15.594 -0.237 9.494 1.00 0.00 C ATOM 1086 CG GLU A 68 16.340 -0.387 10.809 1.00 0.00 C ATOM 1087 CD GLU A 68 16.466 -1.833 11.247 1.00 0.00 C ATOM 1088 OE1 GLU A 68 17.246 -2.578 10.617 1.00 0.00 O ATOM 1089 OE2 GLU A 68 15.785 -2.220 12.220 1.00 0.00 O ATOM 0 H GLU A 68 17.769 0.469 8.570 1.00 0.00 H new ATOM 0 HA GLU A 68 16.496 -1.986 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.512 0.822 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.579 -0.615 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.335 0.046 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.822 0.179 11.583 1.00 0.00 H new ATOM 1096 N ILE A 69 14.906 0.145 6.648 1.00 0.00 N ATOM 1097 CA ILE A 69 13.994 0.227 5.514 1.00 0.00 C ATOM 1098 C ILE A 69 14.436 -0.697 4.385 1.00 0.00 C ATOM 1099 O ILE A 69 13.608 -1.305 3.707 1.00 0.00 O ATOM 1100 CB ILE A 69 13.895 1.667 4.975 1.00 0.00 C ATOM 1101 CG1 ILE A 69 13.384 2.610 6.066 1.00 0.00 C ATOM 1102 CG2 ILE A 69 12.985 1.715 3.756 1.00 0.00 C ATOM 1103 CD1 ILE A 69 13.786 4.053 5.854 1.00 0.00 C ATOM 0 H ILE A 69 15.201 1.048 7.019 1.00 0.00 H new ATOM 0 HA ILE A 69 13.014 -0.086 5.874 1.00 0.00 H new ATOM 0 HB ILE A 69 14.890 1.996 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.297 2.547 6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.762 2.274 7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.925 2.739 3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.389 1.071 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.989 1.370 4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.389 4.664 6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.873 4.130 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.385 4.407 4.904 1.00 0.00 H new ATOM 1115 N TRP A 70 15.745 -0.800 4.191 1.00 0.00 N ATOM 1116 CA TRP A 70 16.298 -1.653 3.144 1.00 0.00 C ATOM 1117 C TRP A 70 16.397 -3.100 3.617 1.00 0.00 C ATOM 1118 O TRP A 70 16.548 -4.016 2.809 1.00 0.00 O ATOM 1119 CB TRP A 70 17.678 -1.147 2.721 1.00 0.00 C ATOM 1120 CG TRP A 70 18.695 -2.239 2.583 1.00 0.00 C ATOM 1121 CD1 TRP A 70 19.343 -2.888 3.595 1.00 0.00 C ATOM 1122 CD2 TRP A 70 19.181 -2.809 1.362 1.00 0.00 C ATOM 1123 NE1 TRP A 70 20.203 -3.826 3.077 1.00 0.00 N ATOM 1124 CE2 TRP A 70 20.121 -3.798 1.710 1.00 0.00 C ATOM 1125 CE3 TRP A 70 18.911 -2.581 0.010 1.00 0.00 C ATOM 1126 CZ2 TRP A 70 20.793 -4.555 0.753 1.00 0.00 C ATOM 1127 CZ3 TRP A 70 19.579 -3.333 -0.938 1.00 0.00 C ATOM 1128 CH2 TRP A 70 20.510 -4.310 -0.563 1.00 0.00 C ATOM 0 H TRP A 70 16.444 -0.304 4.744 1.00 0.00 H new ATOM 0 HA TRP A 70 15.626 -1.615 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 70 17.589 -0.622 1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 70 18.031 -0.422 3.454 1.00 0.00 H new ATOM 0 HD1 TRP A 70 19.200 -2.693 4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 70 20.805 -4.443 3.622 1.00 0.00 H new ATOM 0 HE3 TRP A 70 18.194 -1.831 -0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 21.512 -5.308 1.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 19.380 -3.164 -1.986 1.00 0.00 H new ATOM 0 HH2 TRP A 70 21.015 -4.881 -1.328 1.00 0.00 H new ATOM 1139 N GLN A 71 16.309 -3.297 4.928 1.00 0.00 N ATOM 1140 CA GLN A 71 16.390 -4.633 5.507 1.00 0.00 C ATOM 1141 C GLN A 71 15.001 -5.244 5.660 1.00 0.00 C ATOM 1142 O GLN A 71 14.863 -6.404 6.045 1.00 0.00 O ATOM 1143 CB GLN A 71 17.090 -4.582 6.866 1.00 0.00 C ATOM 1144 CG GLN A 71 18.607 -4.561 6.768 1.00 0.00 C ATOM 1145 CD GLN A 71 19.224 -5.929 6.979 1.00 0.00 C ATOM 1146 OE1 GLN A 71 18.521 -6.939 7.033 1.00 0.00 O ATOM 1147 NE2 GLN A 71 20.546 -5.971 7.098 1.00 0.00 N ATOM 0 H GLN A 71 16.182 -2.549 5.610 1.00 0.00 H new ATOM 0 HA GLN A 71 16.971 -5.260 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.757 -3.695 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.784 -5.446 7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.899 -4.182 5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.006 -3.868 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.090 -5.110 7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.017 -6.864 7.240 1.00 0.00 H new ATOM 1156 N GLU A 72 13.975 -4.454 5.356 1.00 0.00 N ATOM 1157 CA GLU A 72 12.597 -4.918 5.462 1.00 0.00 C ATOM 1158 C GLU A 72 12.087 -5.420 4.114 1.00 0.00 C ATOM 1159 O GLU A 72 11.500 -6.499 4.022 1.00 0.00 O ATOM 1160 CB GLU A 72 11.695 -3.794 5.974 1.00 0.00 C ATOM 1161 CG GLU A 72 10.374 -4.285 6.544 1.00 0.00 C ATOM 1162 CD GLU A 72 10.465 -4.624 8.019 1.00 0.00 C ATOM 1163 OE1 GLU A 72 11.200 -3.923 8.745 1.00 0.00 O ATOM 1164 OE2 GLU A 72 9.800 -5.591 8.447 1.00 0.00 O ATOM 0 H GLU A 72 14.073 -3.491 5.035 1.00 0.00 H new ATOM 0 HA GLU A 72 12.573 -5.745 6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.227 -3.234 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.493 -3.101 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.612 -3.519 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.050 -5.167 5.992 1.00 0.00 H new ATOM 1171 N PHE A 73 12.315 -4.630 3.070 1.00 0.00 N ATOM 1172 CA PHE A 73 11.878 -4.992 1.727 1.00 0.00 C ATOM 1173 C PHE A 73 13.071 -5.139 0.788 1.00 0.00 C ATOM 1174 O PHE A 73 13.097 -6.024 -0.068 1.00 0.00 O ATOM 1175 CB PHE A 73 10.911 -3.939 1.181 1.00 0.00 C ATOM 1176 CG PHE A 73 10.086 -3.274 2.245 1.00 0.00 C ATOM 1177 CD1 PHE A 73 10.657 -2.354 3.109 1.00 0.00 C ATOM 1178 CD2 PHE A 73 8.739 -3.569 2.381 1.00 0.00 C ATOM 1179 CE1 PHE A 73 9.900 -1.741 4.090 1.00 0.00 C ATOM 1180 CE2 PHE A 73 7.976 -2.959 3.360 1.00 0.00 C ATOM 1181 CZ PHE A 73 8.558 -2.043 4.214 1.00 0.00 C ATOM 0 H PHE A 73 12.800 -3.735 3.128 1.00 0.00 H new ATOM 0 HA PHE A 73 11.364 -5.951 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 73 11.479 -3.179 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.245 -4.409 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.706 -2.113 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.279 -4.284 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.357 -1.027 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.927 -3.198 3.456 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.964 -1.563 4.978 1.00 0.00 H new ATOM 1191 N LEU A 74 14.058 -4.264 0.953 1.00 0.00 N ATOM 1192 CA LEU A 74 15.255 -4.295 0.121 1.00 0.00 C ATOM 1193 C LEU A 74 16.262 -5.309 0.652 1.00 0.00 C ATOM 1194 O LEU A 74 17.443 -5.265 0.308 1.00 0.00 O ATOM 1195 CB LEU A 74 15.894 -2.906 0.062 1.00 0.00 C ATOM 1196 CG LEU A 74 14.935 -1.734 -0.146 1.00 0.00 C ATOM 1197 CD1 LEU A 74 15.701 -0.421 -0.203 1.00 0.00 C ATOM 1198 CD2 LEU A 74 14.118 -1.932 -1.414 1.00 0.00 C ATOM 0 H LEU A 74 14.052 -3.525 1.656 1.00 0.00 H new ATOM 0 HA LEU A 74 14.961 -4.596 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.442 -2.741 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 74 16.625 -2.899 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 74 14.250 -1.695 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.002 0.402 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.241 -0.274 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.410 -0.449 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.441 -1.088 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.787 -1.998 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.539 -2.852 -1.334 1.00 0.00 H new ATOM 1210 N ALA A 75 15.787 -6.223 1.491 1.00 0.00 N ATOM 1211 CA ALA A 75 16.645 -7.252 2.067 1.00 0.00 C ATOM 1212 C ALA A 75 16.222 -8.642 1.605 1.00 0.00 C ATOM 1213 O ALA A 75 15.053 -8.896 1.312 1.00 0.00 O ATOM 1214 CB ALA A 75 16.622 -7.168 3.586 1.00 0.00 C ATOM 0 H ALA A 75 14.812 -6.272 1.787 1.00 0.00 H new ATOM 0 HA ALA A 75 17.663 -7.078 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.267 -7.942 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 75 16.980 -6.188 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.603 -7.314 3.943 1.00 0.00 H new ATOM 1220 N PRO A 76 17.193 -9.565 1.537 1.00 0.00 N ATOM 1221 CA PRO A 76 16.944 -10.945 1.111 1.00 0.00 C ATOM 1222 C PRO A 76 16.134 -11.731 2.136 1.00 0.00 C ATOM 1223 O PRO A 76 15.091 -12.299 1.814 1.00 0.00 O ATOM 1224 CB PRO A 76 18.351 -11.533 0.976 1.00 0.00 C ATOM 1225 CG PRO A 76 19.193 -10.717 1.895 1.00 0.00 C ATOM 1226 CD PRO A 76 18.608 -9.332 1.871 1.00 0.00 C ATOM 0 HA PRO A 76 16.359 -10.989 0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.368 -12.587 1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.710 -11.469 -0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.181 -11.128 2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.232 -10.707 1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 76 18.717 -8.833 2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 76 19.098 -8.702 1.129 1.00 0.00 H new ATOM 1234 N GLY A 77 16.621 -11.760 3.372 1.00 0.00 N ATOM 1235 CA GLY A 77 15.929 -12.480 4.426 1.00 0.00 C ATOM 1236 C GLY A 77 14.970 -11.596 5.198 1.00 0.00 C ATOM 1237 O GLY A 77 15.019 -11.539 6.426 1.00 0.00 O ATOM 0 H GLY A 77 17.482 -11.298 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.379 -13.315 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.661 -12.904 5.113 1.00 0.00 H new ATOM 1241 N ALA A 78 14.095 -10.902 4.476 1.00 0.00 N ATOM 1242 CA ALA A 78 13.121 -10.017 5.102 1.00 0.00 C ATOM 1243 C ALA A 78 11.697 -10.417 4.728 1.00 0.00 C ATOM 1244 O ALA A 78 11.451 -11.026 3.687 1.00 0.00 O ATOM 1245 CB ALA A 78 13.387 -8.573 4.703 1.00 0.00 C ATOM 0 H ALA A 78 14.041 -10.936 3.458 1.00 0.00 H new ATOM 0 HA ALA A 78 13.225 -10.109 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.652 -7.923 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.388 -8.285 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.312 -8.475 3.620 1.00 0.00 H new ATOM 1251 N PRO A 79 10.736 -10.067 5.596 1.00 0.00 N ATOM 1252 CA PRO A 79 9.321 -10.379 5.379 1.00 0.00 C ATOM 1253 C PRO A 79 8.718 -9.571 4.235 1.00 0.00 C ATOM 1254 O PRO A 79 8.041 -10.119 3.364 1.00 0.00 O ATOM 1255 CB PRO A 79 8.665 -9.997 6.707 1.00 0.00 C ATOM 1256 CG PRO A 79 9.568 -8.967 7.293 1.00 0.00 C ATOM 1257 CD PRO A 79 10.958 -9.339 6.857 1.00 0.00 C ATOM 0 HA PRO A 79 9.172 -11.422 5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.661 -9.602 6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.570 -10.861 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.303 -7.970 6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.491 -8.953 8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.582 -8.458 6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.459 -9.962 7.598 1.00 0.00 H new ATOM 1265 N SER A 80 8.968 -8.266 4.242 1.00 0.00 N ATOM 1266 CA SER A 80 8.447 -7.381 3.206 1.00 0.00 C ATOM 1267 C SER A 80 9.390 -7.334 2.008 1.00 0.00 C ATOM 1268 O SER A 80 9.318 -6.422 1.184 1.00 0.00 O ATOM 1269 CB SER A 80 8.242 -5.972 3.765 1.00 0.00 C ATOM 1270 OG SER A 80 7.743 -6.016 5.091 1.00 0.00 O ATOM 0 H SER A 80 9.528 -7.797 4.954 1.00 0.00 H new ATOM 0 HA SER A 80 7.486 -7.775 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.187 -5.429 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.547 -5.423 3.130 1.00 0.00 H new ATOM 0 HG SER A 80 7.773 -5.118 5.482 1.00 0.00 H new ATOM 1276 N ALA A 81 10.273 -8.322 1.918 1.00 0.00 N ATOM 1277 CA ALA A 81 11.229 -8.395 0.820 1.00 0.00 C ATOM 1278 C ALA A 81 10.541 -8.177 -0.523 1.00 0.00 C ATOM 1279 O ALA A 81 9.771 -9.022 -0.981 1.00 0.00 O ATOM 1280 CB ALA A 81 11.948 -9.736 0.835 1.00 0.00 C ATOM 0 H ALA A 81 10.347 -9.084 2.592 1.00 0.00 H new ATOM 0 HA ALA A 81 11.962 -7.600 0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.659 -9.777 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.481 -9.853 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.220 -10.540 0.727 1.00 0.00 H new ATOM 1286 N ILE A 82 10.821 -7.039 -1.148 1.00 0.00 N ATOM 1287 CA ILE A 82 10.229 -6.710 -2.438 1.00 0.00 C ATOM 1288 C ILE A 82 11.159 -7.094 -3.584 1.00 0.00 C ATOM 1289 O ILE A 82 12.236 -7.648 -3.364 1.00 0.00 O ATOM 1290 CB ILE A 82 9.899 -5.209 -2.541 1.00 0.00 C ATOM 1291 CG1 ILE A 82 11.149 -4.370 -2.270 1.00 0.00 C ATOM 1292 CG2 ILE A 82 8.788 -4.844 -1.568 1.00 0.00 C ATOM 1293 CD1 ILE A 82 11.121 -3.012 -2.934 1.00 0.00 C ATOM 0 H ILE A 82 11.455 -6.329 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 82 9.305 -7.283 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 82 9.554 -4.996 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.261 -4.237 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.026 -4.917 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.566 -3.780 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.894 -5.421 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.107 -5.069 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.039 -2.473 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.040 -3.137 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.264 -2.446 -2.569 1.00 0.00 H new ATOM 1305 N ASN A 83 10.737 -6.794 -4.808 1.00 0.00 N ATOM 1306 CA ASN A 83 11.533 -7.107 -5.989 1.00 0.00 C ATOM 1307 C ASN A 83 11.641 -5.894 -6.909 1.00 0.00 C ATOM 1308 O ASN A 83 10.634 -5.290 -7.278 1.00 0.00 O ATOM 1309 CB ASN A 83 10.916 -8.283 -6.749 1.00 0.00 C ATOM 1310 CG ASN A 83 11.812 -8.784 -7.865 1.00 0.00 C ATOM 1311 OD1 ASN A 83 12.932 -9.235 -7.623 1.00 0.00 O ATOM 1312 ND2 ASN A 83 11.322 -8.707 -9.097 1.00 0.00 N ATOM 0 H ASN A 83 9.848 -6.335 -5.008 1.00 0.00 H new ATOM 0 HA ASN A 83 12.535 -7.382 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 83 10.717 -9.098 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.956 -7.979 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.879 -9.029 -9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.389 -8.326 -9.252 1.00 0.00 H new ATOM 1319 N LEU A 84 12.869 -5.544 -7.275 1.00 0.00 N ATOM 1320 CA LEU A 84 13.110 -4.404 -8.153 1.00 0.00 C ATOM 1321 C LEU A 84 13.886 -4.828 -9.396 1.00 0.00 C ATOM 1322 O LEU A 84 14.501 -5.894 -9.422 1.00 0.00 O ATOM 1323 CB LEU A 84 13.879 -3.314 -7.405 1.00 0.00 C ATOM 1324 CG LEU A 84 13.206 -2.759 -6.149 1.00 0.00 C ATOM 1325 CD1 LEU A 84 14.221 -2.043 -5.271 1.00 0.00 C ATOM 1326 CD2 LEU A 84 12.067 -1.822 -6.523 1.00 0.00 C ATOM 0 H LEU A 84 13.713 -6.033 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 84 12.144 -4.009 -8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.854 -3.713 -7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.058 -2.487 -8.092 1.00 0.00 H new ATOM 0 HG LEU A 84 12.792 -3.594 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.724 -1.655 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.002 -2.742 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.666 -1.218 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.600 -1.437 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.457 -0.991 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.326 -2.366 -7.110 1.00 0.00 H new ATOM 1338 N ASP A 85 13.855 -3.985 -10.422 1.00 0.00 N ATOM 1339 CA ASP A 85 14.558 -4.271 -11.667 1.00 0.00 C ATOM 1340 C ASP A 85 16.063 -4.360 -11.434 1.00 0.00 C ATOM 1341 O ASP A 85 16.636 -3.552 -10.703 1.00 0.00 O ATOM 1342 CB ASP A 85 14.254 -3.192 -12.708 1.00 0.00 C ATOM 1343 CG ASP A 85 14.303 -3.725 -14.126 1.00 0.00 C ATOM 1344 OD1 ASP A 85 15.068 -4.681 -14.374 1.00 0.00 O ATOM 1345 OD2 ASP A 85 13.578 -3.186 -14.989 1.00 0.00 O ATOM 0 H ASP A 85 13.351 -3.098 -10.416 1.00 0.00 H new ATOM 0 HA ASP A 85 14.209 -5.234 -12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.267 -2.773 -12.515 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.972 -2.378 -12.604 1.00 0.00 H new ATOM 1350 N SER A 86 16.696 -5.348 -12.058 1.00 0.00 N ATOM 1351 CA SER A 86 18.133 -5.546 -11.914 1.00 0.00 C ATOM 1352 C SER A 86 18.869 -4.210 -11.923 1.00 0.00 C ATOM 1353 O SER A 86 19.850 -4.023 -11.202 1.00 0.00 O ATOM 1354 CB SER A 86 18.661 -6.439 -13.038 1.00 0.00 C ATOM 1355 OG SER A 86 18.615 -7.806 -12.668 1.00 0.00 O ATOM 0 H SER A 86 16.236 -6.024 -12.668 1.00 0.00 H new ATOM 0 HA SER A 86 18.313 -6.034 -10.956 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.068 -6.283 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.687 -6.158 -13.278 1.00 0.00 H new ATOM 0 HG SER A 86 18.956 -8.356 -13.404 1.00 0.00 H new ATOM 1361 N LYS A 87 18.389 -3.282 -12.744 1.00 0.00 N ATOM 1362 CA LYS A 87 18.999 -1.962 -12.848 1.00 0.00 C ATOM 1363 C LYS A 87 18.763 -1.152 -11.576 1.00 0.00 C ATOM 1364 O LYS A 87 19.710 -0.722 -10.919 1.00 0.00 O ATOM 1365 CB LYS A 87 18.434 -1.210 -14.055 1.00 0.00 C ATOM 1366 CG LYS A 87 18.724 0.281 -14.033 1.00 0.00 C ATOM 1367 CD LYS A 87 20.216 0.560 -14.096 1.00 0.00 C ATOM 1368 CE LYS A 87 20.749 0.426 -15.515 1.00 0.00 C ATOM 1369 NZ LYS A 87 22.189 0.794 -15.603 1.00 0.00 N ATOM 0 H LYS A 87 17.578 -3.420 -13.348 1.00 0.00 H new ATOM 0 HA LYS A 87 20.073 -2.095 -12.980 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.850 -1.639 -14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.355 -1.361 -14.094 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.227 0.762 -14.876 1.00 0.00 H new ATOM 0 HG3 LYS A 87 18.309 0.720 -13.126 1.00 0.00 H new ATOM 0 HD2 LYS A 87 20.415 1.565 -13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 87 20.745 -0.132 -13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 87 20.615 -0.600 -15.858 1.00 0.00 H new ATOM 0 HE3 LYS A 87 20.170 1.064 -16.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 22.515 0.690 -16.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 22.314 1.781 -15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 22.745 0.169 -14.986 1.00 0.00 H new ATOM 1383 N SER A 88 17.494 -0.950 -11.235 1.00 0.00 N ATOM 1384 CA SER A 88 17.135 -0.191 -10.044 1.00 0.00 C ATOM 1385 C SER A 88 17.842 -0.746 -8.811 1.00 0.00 C ATOM 1386 O SER A 88 18.600 -0.039 -8.146 1.00 0.00 O ATOM 1387 CB SER A 88 15.620 -0.220 -9.832 1.00 0.00 C ATOM 1388 OG SER A 88 15.134 -1.551 -9.807 1.00 0.00 O ATOM 0 H SER A 88 16.698 -1.302 -11.767 1.00 0.00 H new ATOM 0 HA SER A 88 17.455 0.840 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.371 0.279 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.127 0.335 -10.630 1.00 0.00 H new ATOM 0 HG SER A 88 15.655 -2.101 -10.428 1.00 0.00 H new ATOM 1394 N TYR A 89 17.590 -2.016 -8.514 1.00 0.00 N ATOM 1395 CA TYR A 89 18.200 -2.666 -7.361 1.00 0.00 C ATOM 1396 C TYR A 89 19.691 -2.351 -7.283 1.00 0.00 C ATOM 1397 O TYR A 89 20.157 -1.736 -6.324 1.00 0.00 O ATOM 1398 CB TYR A 89 17.991 -4.180 -7.433 1.00 0.00 C ATOM 1399 CG TYR A 89 18.119 -4.873 -6.096 1.00 0.00 C ATOM 1400 CD1 TYR A 89 17.129 -4.749 -5.129 1.00 0.00 C ATOM 1401 CD2 TYR A 89 19.231 -5.652 -5.798 1.00 0.00 C ATOM 1402 CE1 TYR A 89 17.242 -5.380 -3.905 1.00 0.00 C ATOM 1403 CE2 TYR A 89 19.351 -6.288 -4.578 1.00 0.00 C ATOM 1404 CZ TYR A 89 18.355 -6.149 -3.635 1.00 0.00 C ATOM 1405 OH TYR A 89 18.472 -6.779 -2.417 1.00 0.00 O ATOM 0 H TYR A 89 16.968 -2.615 -9.056 1.00 0.00 H new ATOM 0 HA TYR A 89 17.718 -2.281 -6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 89 17.002 -4.383 -7.845 1.00 0.00 H new ATOM 0 HB3 TYR A 89 18.718 -4.606 -8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 89 16.256 -4.149 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 89 20.015 -5.762 -6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.464 -5.272 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 89 20.221 -6.891 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 89 18.107 -6.202 -1.714 1.00 0.00 H new ATOM 1415 N ASP A 90 20.433 -2.776 -8.299 1.00 0.00 N ATOM 1416 CA ASP A 90 21.871 -2.539 -8.348 1.00 0.00 C ATOM 1417 C ASP A 90 22.202 -1.118 -7.902 1.00 0.00 C ATOM 1418 O ASP A 90 23.036 -0.912 -7.020 1.00 0.00 O ATOM 1419 CB ASP A 90 22.401 -2.779 -9.763 1.00 0.00 C ATOM 1420 CG ASP A 90 23.859 -3.192 -9.772 1.00 0.00 C ATOM 1421 OD1 ASP A 90 24.723 -2.327 -9.518 1.00 0.00 O ATOM 1422 OD2 ASP A 90 24.137 -4.381 -10.033 1.00 0.00 O ATOM 0 H ASP A 90 20.062 -3.287 -9.100 1.00 0.00 H new ATOM 0 HA ASP A 90 22.354 -3.238 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.804 -3.553 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 90 22.280 -1.870 -10.352 1.00 0.00 H new ATOM 1427 N LYS A 91 21.545 -0.141 -8.517 1.00 0.00 N ATOM 1428 CA LYS A 91 21.769 1.260 -8.184 1.00 0.00 C ATOM 1429 C LYS A 91 21.482 1.521 -6.709 1.00 0.00 C ATOM 1430 O LYS A 91 22.346 1.999 -5.973 1.00 0.00 O ATOM 1431 CB LYS A 91 20.886 2.159 -9.053 1.00 0.00 C ATOM 1432 CG LYS A 91 21.454 3.553 -9.260 1.00 0.00 C ATOM 1433 CD LYS A 91 22.336 3.617 -10.495 1.00 0.00 C ATOM 1434 CE LYS A 91 22.862 5.025 -10.732 1.00 0.00 C ATOM 1435 NZ LYS A 91 21.785 5.950 -11.182 1.00 0.00 N ATOM 0 H LYS A 91 20.852 -0.294 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 91 22.816 1.491 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 91 20.745 1.685 -10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.902 2.242 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.638 4.269 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 91 22.032 3.845 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 91 23.174 2.929 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 91 21.769 3.288 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 91 23.308 5.406 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.653 4.996 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.205 6.854 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.275 5.526 -11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.121 6.117 -10.399 1.00 0.00 H new ATOM 1449 N THR A 92 20.264 1.203 -6.282 1.00 0.00 N ATOM 1450 CA THR A 92 19.865 1.403 -4.894 1.00 0.00 C ATOM 1451 C THR A 92 20.870 0.775 -3.937 1.00 0.00 C ATOM 1452 O THR A 92 21.490 1.467 -3.128 1.00 0.00 O ATOM 1453 CB THR A 92 18.470 0.808 -4.620 1.00 0.00 C ATOM 1454 OG1 THR A 92 17.508 1.386 -5.509 1.00 0.00 O ATOM 1455 CG2 THR A 92 18.050 1.056 -3.179 1.00 0.00 C ATOM 0 H THR A 92 19.537 0.806 -6.877 1.00 0.00 H new ATOM 0 HA THR A 92 19.832 2.479 -4.726 1.00 0.00 H new ATOM 0 HB THR A 92 18.518 -0.268 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.621 1.005 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.062 0.627 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.769 0.590 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 92 18.017 2.129 -2.989 1.00 0.00 H new ATOM 1463 N THR A 93 21.029 -0.542 -4.032 1.00 0.00 N ATOM 1464 CA THR A 93 21.959 -1.264 -3.174 1.00 0.00 C ATOM 1465 C THR A 93 23.194 -0.423 -2.872 1.00 0.00 C ATOM 1466 O THR A 93 23.596 -0.284 -1.716 1.00 0.00 O ATOM 1467 CB THR A 93 22.401 -2.592 -3.816 1.00 0.00 C ATOM 1468 OG1 THR A 93 21.254 -3.330 -4.253 1.00 0.00 O ATOM 1469 CG2 THR A 93 23.204 -3.429 -2.832 1.00 0.00 C ATOM 0 H THR A 93 20.525 -1.130 -4.696 1.00 0.00 H new ATOM 0 HA THR A 93 21.431 -1.477 -2.244 1.00 0.00 H new ATOM 0 HB THR A 93 23.034 -2.362 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 93 20.901 -2.930 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 93 23.505 -4.362 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 93 24.092 -2.876 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 93 22.592 -3.649 -1.957 1.00 0.00 H new ATOM 1477 N HIS A 94 23.793 0.137 -3.918 1.00 0.00 N ATOM 1478 CA HIS A 94 24.983 0.966 -3.764 1.00 0.00 C ATOM 1479 C HIS A 94 24.665 2.232 -2.974 1.00 0.00 C ATOM 1480 O HIS A 94 25.371 2.578 -2.027 1.00 0.00 O ATOM 1481 CB HIS A 94 25.554 1.336 -5.133 1.00 0.00 C ATOM 1482 CG HIS A 94 26.474 2.518 -5.100 1.00 0.00 C ATOM 1483 ND1 HIS A 94 27.756 2.459 -4.596 1.00 0.00 N ATOM 1484 CD2 HIS A 94 26.291 3.794 -5.513 1.00 0.00 C ATOM 1485 CE1 HIS A 94 28.322 3.648 -4.699 1.00 0.00 C ATOM 1486 NE2 HIS A 94 27.454 4.476 -5.253 1.00 0.00 N ATOM 0 H HIS A 94 23.474 0.032 -4.881 1.00 0.00 H new ATOM 0 HA HIS A 94 25.726 0.391 -3.212 1.00 0.00 H new ATOM 0 HB2 HIS A 94 26.092 0.478 -5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 94 24.731 1.546 -5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 94 25.397 4.200 -5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 94 29.324 3.900 -4.384 1.00 0.00 H new ATOM 0 HE2 HIS A 94 27.621 5.462 -5.455 1.00 0.00 H new ATOM 1494 N ASN A 95 23.598 2.918 -3.369 1.00 0.00 N ATOM 1495 CA ASN A 95 23.187 4.147 -2.699 1.00 0.00 C ATOM 1496 C ASN A 95 22.998 3.913 -1.203 1.00 0.00 C ATOM 1497 O ASN A 95 23.441 4.712 -0.378 1.00 0.00 O ATOM 1498 CB ASN A 95 21.889 4.677 -3.311 1.00 0.00 C ATOM 1499 CG ASN A 95 22.116 5.359 -4.647 1.00 0.00 C ATOM 1500 OD1 ASN A 95 23.231 5.776 -4.961 1.00 0.00 O ATOM 1501 ND2 ASN A 95 21.057 5.476 -5.439 1.00 0.00 N ATOM 0 H ASN A 95 23.002 2.644 -4.150 1.00 0.00 H new ATOM 0 HA ASN A 95 23.975 4.888 -2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.189 3.852 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 95 21.426 5.382 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.148 5.927 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 95 20.152 5.115 -5.137 1.00 0.00 H new ATOM 1508 N VAL A 96 22.338 2.811 -0.861 1.00 0.00 N ATOM 1509 CA VAL A 96 22.092 2.470 0.535 1.00 0.00 C ATOM 1510 C VAL A 96 23.314 2.767 1.397 1.00 0.00 C ATOM 1511 O VAL A 96 23.233 3.513 2.373 1.00 0.00 O ATOM 1512 CB VAL A 96 21.716 0.984 0.693 1.00 0.00 C ATOM 1513 CG1 VAL A 96 21.558 0.626 2.162 1.00 0.00 C ATOM 1514 CG2 VAL A 96 20.443 0.673 -0.081 1.00 0.00 C ATOM 0 H VAL A 96 21.964 2.139 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 96 21.257 3.086 0.868 1.00 0.00 H new ATOM 0 HB VAL A 96 22.522 0.377 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.292 -0.427 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 96 22.497 0.810 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.771 1.238 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.191 -0.380 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 96 19.627 1.288 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 96 20.598 0.889 -1.138 1.00 0.00 H new ATOM 1524 N LYS A 97 24.447 2.178 1.031 1.00 0.00 N ATOM 1525 CA LYS A 97 25.689 2.380 1.768 1.00 0.00 C ATOM 1526 C LYS A 97 25.758 3.793 2.340 1.00 0.00 C ATOM 1527 O LYS A 97 26.266 4.002 3.441 1.00 0.00 O ATOM 1528 CB LYS A 97 26.893 2.126 0.859 1.00 0.00 C ATOM 1529 CG LYS A 97 27.204 0.653 0.659 1.00 0.00 C ATOM 1530 CD LYS A 97 26.262 0.016 -0.349 1.00 0.00 C ATOM 1531 CE LYS A 97 26.789 -1.325 -0.835 1.00 0.00 C ATOM 1532 NZ LYS A 97 26.205 -1.706 -2.151 1.00 0.00 N ATOM 0 H LYS A 97 24.531 1.556 0.227 1.00 0.00 H new ATOM 0 HA LYS A 97 25.711 1.671 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 97 26.708 2.585 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.768 2.619 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 97 28.233 0.541 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 97 27.125 0.131 1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 97 25.280 -0.121 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 97 26.130 0.686 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 97 27.875 -1.280 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 97 26.558 -2.095 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 26.167 -2.743 -2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 25.244 -1.317 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 26.796 -1.325 -2.917 1.00 0.00 H new ATOM 1546 N GLU A 98 25.243 4.758 1.584 1.00 0.00 N ATOM 1547 CA GLU A 98 25.247 6.150 2.018 1.00 0.00 C ATOM 1548 C GLU A 98 23.924 6.517 2.682 1.00 0.00 C ATOM 1549 O GLU A 98 22.901 6.708 2.023 1.00 0.00 O ATOM 1550 CB GLU A 98 25.508 7.077 0.828 1.00 0.00 C ATOM 1551 CG GLU A 98 26.673 6.637 -0.043 1.00 0.00 C ATOM 1552 CD GLU A 98 27.312 7.791 -0.790 1.00 0.00 C ATOM 1553 OE1 GLU A 98 26.688 8.297 -1.746 1.00 0.00 O ATOM 1554 OE2 GLU A 98 28.436 8.188 -0.418 1.00 0.00 O ATOM 0 H GLU A 98 24.819 4.602 0.670 1.00 0.00 H new ATOM 0 HA GLU A 98 26.046 6.274 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.608 7.131 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.702 8.084 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.424 6.152 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 98 26.325 5.893 -0.760 1.00 0.00 H new ATOM 1561 N PRO A 99 23.941 6.618 4.019 1.00 0.00 N ATOM 1562 CA PRO A 99 22.751 6.963 4.803 1.00 0.00 C ATOM 1563 C PRO A 99 22.324 8.413 4.601 1.00 0.00 C ATOM 1564 O PRO A 99 23.055 9.339 4.947 1.00 0.00 O ATOM 1565 CB PRO A 99 23.199 6.734 6.248 1.00 0.00 C ATOM 1566 CG PRO A 99 24.679 6.902 6.217 1.00 0.00 C ATOM 1567 CD PRO A 99 25.124 6.405 4.869 1.00 0.00 C ATOM 0 HA PRO A 99 21.885 6.369 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.733 7.450 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.921 5.739 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 99 24.956 7.947 6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 99 25.153 6.335 7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 99 25.988 6.959 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 99 25.410 5.354 4.903 1.00 0.00 H new ATOM 1575 N GLY A 100 21.134 8.602 4.038 1.00 0.00 N ATOM 1576 CA GLY A 100 20.630 9.942 3.800 1.00 0.00 C ATOM 1577 C GLY A 100 19.118 10.016 3.882 1.00 0.00 C ATOM 1578 O GLY A 100 18.492 9.253 4.619 1.00 0.00 O ATOM 0 H GLY A 100 20.510 7.851 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 100 21.064 10.625 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.954 10.279 2.816 1.00 0.00 H new ATOM 1582 N ARG A 101 18.531 10.937 3.126 1.00 0.00 N ATOM 1583 CA ARG A 101 17.083 11.110 3.119 1.00 0.00 C ATOM 1584 C ARG A 101 16.497 10.730 1.762 1.00 0.00 C ATOM 1585 O ARG A 101 15.417 10.145 1.682 1.00 0.00 O ATOM 1586 CB ARG A 101 16.719 12.556 3.457 1.00 0.00 C ATOM 1587 CG ARG A 101 17.220 13.008 4.819 1.00 0.00 C ATOM 1588 CD ARG A 101 16.363 14.131 5.384 1.00 0.00 C ATOM 1589 NE ARG A 101 16.386 14.156 6.844 1.00 0.00 N ATOM 1590 CZ ARG A 101 17.315 14.787 7.553 1.00 0.00 C ATOM 1591 NH1 ARG A 101 18.291 15.442 6.940 1.00 0.00 N ATOM 1592 NH2 ARG A 101 17.268 14.764 8.879 1.00 0.00 N ATOM 0 H ARG A 101 19.035 11.575 2.510 1.00 0.00 H new ATOM 0 HA ARG A 101 16.660 10.450 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.130 13.214 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.635 12.666 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.215 12.163 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.253 13.345 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.719 15.087 5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.336 14.011 5.040 1.00 0.00 H new ATOM 0 HE ARG A 101 15.649 13.662 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.330 15.462 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.003 15.926 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.518 14.262 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.982 15.249 9.423 1.00 0.00 H new ATOM 1606 N TYR A 102 17.217 11.068 0.697 1.00 0.00 N ATOM 1607 CA TYR A 102 16.767 10.766 -0.656 1.00 0.00 C ATOM 1608 C TYR A 102 17.544 9.589 -1.238 1.00 0.00 C ATOM 1609 O TYR A 102 17.539 9.364 -2.449 1.00 0.00 O ATOM 1610 CB TYR A 102 16.929 11.993 -1.556 1.00 0.00 C ATOM 1611 CG TYR A 102 16.432 13.275 -0.926 1.00 0.00 C ATOM 1612 CD1 TYR A 102 15.123 13.390 -0.476 1.00 0.00 C ATOM 1613 CD2 TYR A 102 17.274 14.371 -0.781 1.00 0.00 C ATOM 1614 CE1 TYR A 102 14.666 14.559 0.100 1.00 0.00 C ATOM 1615 CE2 TYR A 102 16.825 15.544 -0.205 1.00 0.00 C ATOM 1616 CZ TYR A 102 15.520 15.634 0.233 1.00 0.00 C ATOM 1617 OH TYR A 102 15.069 16.800 0.806 1.00 0.00 O ATOM 0 H TYR A 102 18.114 11.551 0.745 1.00 0.00 H new ATOM 0 HA TYR A 102 15.712 10.495 -0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 102 17.982 12.108 -1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 102 16.390 11.823 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 102 14.451 12.551 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 102 18.296 14.305 -1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.645 14.631 0.445 1.00 0.00 H new ATOM 0 HE2 TYR A 102 17.493 16.386 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 102 15.795 17.457 0.825 1.00 0.00 H new ATOM 1627 N THR A 103 18.210 8.839 -0.366 1.00 0.00 N ATOM 1628 CA THR A 103 18.993 7.685 -0.791 1.00 0.00 C ATOM 1629 C THR A 103 18.133 6.695 -1.569 1.00 0.00 C ATOM 1630 O THR A 103 18.567 6.141 -2.580 1.00 0.00 O ATOM 1631 CB THR A 103 19.627 6.963 0.412 1.00 0.00 C ATOM 1632 OG1 THR A 103 20.590 7.814 1.043 1.00 0.00 O ATOM 1633 CG2 THR A 103 20.297 5.669 -0.026 1.00 0.00 C ATOM 0 H THR A 103 18.223 9.010 0.639 1.00 0.00 H new ATOM 0 HA THR A 103 19.786 8.061 -1.438 1.00 0.00 H new ATOM 0 HB THR A 103 18.835 6.723 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 103 21.355 7.278 1.340 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.738 5.176 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 103 19.556 5.011 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 103 21.078 5.892 -0.753 1.00 0.00 H new ATOM 1641 N PHE A 104 16.912 6.476 -1.092 1.00 0.00 N ATOM 1642 CA PHE A 104 15.992 5.551 -1.743 1.00 0.00 C ATOM 1643 C PHE A 104 15.209 6.252 -2.850 1.00 0.00 C ATOM 1644 O PHE A 104 14.510 5.609 -3.632 1.00 0.00 O ATOM 1645 CB PHE A 104 15.024 4.955 -0.718 1.00 0.00 C ATOM 1646 CG PHE A 104 15.706 4.151 0.352 1.00 0.00 C ATOM 1647 CD1 PHE A 104 16.181 2.878 0.084 1.00 0.00 C ATOM 1648 CD2 PHE A 104 15.870 4.668 1.627 1.00 0.00 C ATOM 1649 CE1 PHE A 104 16.809 2.135 1.066 1.00 0.00 C ATOM 1650 CE2 PHE A 104 16.497 3.931 2.613 1.00 0.00 C ATOM 1651 CZ PHE A 104 16.966 2.662 2.333 1.00 0.00 C ATOM 0 H PHE A 104 16.537 6.926 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 104 16.579 4.748 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 104 14.459 5.762 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.304 4.320 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 104 16.059 2.461 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.503 5.659 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 104 17.176 1.144 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 104 16.620 4.347 3.602 1.00 0.00 H new ATOM 0 HZ PHE A 104 17.454 2.083 3.103 1.00 0.00 H new ATOM 1661 N GLU A 105 15.333 7.574 -2.908 1.00 0.00 N ATOM 1662 CA GLU A 105 14.636 8.362 -3.918 1.00 0.00 C ATOM 1663 C GLU A 105 14.511 7.584 -5.224 1.00 0.00 C ATOM 1664 O GLU A 105 13.460 7.591 -5.865 1.00 0.00 O ATOM 1665 CB GLU A 105 15.373 9.680 -4.166 1.00 0.00 C ATOM 1666 CG GLU A 105 14.619 10.637 -5.074 1.00 0.00 C ATOM 1667 CD GLU A 105 15.504 11.742 -5.620 1.00 0.00 C ATOM 1668 OE1 GLU A 105 16.228 12.371 -4.821 1.00 0.00 O ATOM 1669 OE2 GLU A 105 15.470 11.976 -6.846 1.00 0.00 O ATOM 0 H GLU A 105 15.909 8.121 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 105 13.634 8.578 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.557 10.169 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.346 9.465 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.186 10.079 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.790 11.080 -4.521 1.00 0.00 H new ATOM 1676 N ASP A 106 15.590 6.914 -5.613 1.00 0.00 N ATOM 1677 CA ASP A 106 15.602 6.130 -6.842 1.00 0.00 C ATOM 1678 C ASP A 106 14.625 4.961 -6.751 1.00 0.00 C ATOM 1679 O ASP A 106 13.676 4.872 -7.528 1.00 0.00 O ATOM 1680 CB ASP A 106 17.012 5.610 -7.128 1.00 0.00 C ATOM 1681 CG ASP A 106 18.085 6.612 -6.749 1.00 0.00 C ATOM 1682 OD1 ASP A 106 18.211 7.639 -7.447 1.00 0.00 O ATOM 1683 OD2 ASP A 106 18.801 6.368 -5.754 1.00 0.00 O ATOM 0 H ASP A 106 16.468 6.898 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 106 15.290 6.779 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 106 17.173 4.683 -6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.100 5.371 -8.188 1.00 0.00 H new ATOM 1688 N ALA A 107 14.866 4.068 -5.797 1.00 0.00 N ATOM 1689 CA ALA A 107 14.008 2.906 -5.603 1.00 0.00 C ATOM 1690 C ALA A 107 12.557 3.325 -5.387 1.00 0.00 C ATOM 1691 O ALA A 107 11.658 2.864 -6.090 1.00 0.00 O ATOM 1692 CB ALA A 107 14.500 2.076 -4.428 1.00 0.00 C ATOM 0 H ALA A 107 15.649 4.127 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 107 14.053 2.298 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.849 1.212 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 107 15.518 1.738 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.486 2.683 -3.523 1.00 0.00 H new ATOM 1698 N GLN A 108 12.338 4.201 -4.411 1.00 0.00 N ATOM 1699 CA GLN A 108 10.996 4.680 -4.103 1.00 0.00 C ATOM 1700 C GLN A 108 10.226 5.002 -5.379 1.00 0.00 C ATOM 1701 O GLN A 108 9.027 4.742 -5.473 1.00 0.00 O ATOM 1702 CB GLN A 108 11.068 5.919 -3.209 1.00 0.00 C ATOM 1703 CG GLN A 108 9.731 6.305 -2.597 1.00 0.00 C ATOM 1704 CD GLN A 108 9.722 7.724 -2.063 1.00 0.00 C ATOM 1705 OE1 GLN A 108 10.759 8.385 -2.004 1.00 0.00 O ATOM 1706 NE2 GLN A 108 8.546 8.202 -1.670 1.00 0.00 N ATOM 0 H GLN A 108 13.072 4.593 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 108 10.467 3.888 -3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.786 5.739 -2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.446 6.757 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.948 6.198 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.493 5.615 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.711 7.620 -1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.478 9.151 -1.302 1.00 0.00 H new ATOM 1715 N GLU A 109 10.924 5.570 -6.358 1.00 0.00 N ATOM 1716 CA GLU A 109 10.304 5.928 -7.628 1.00 0.00 C ATOM 1717 C GLU A 109 9.889 4.680 -8.402 1.00 0.00 C ATOM 1718 O GLU A 109 8.733 4.541 -8.804 1.00 0.00 O ATOM 1719 CB GLU A 109 11.266 6.768 -8.471 1.00 0.00 C ATOM 1720 CG GLU A 109 10.918 6.790 -9.950 1.00 0.00 C ATOM 1721 CD GLU A 109 11.825 7.707 -10.749 1.00 0.00 C ATOM 1722 OE1 GLU A 109 12.128 8.815 -10.258 1.00 0.00 O ATOM 1723 OE2 GLU A 109 12.230 7.317 -11.864 1.00 0.00 O ATOM 0 H GLU A 109 11.918 5.792 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 109 9.411 6.515 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.270 7.790 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.277 6.379 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 109 10.986 5.779 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.884 7.112 -10.071 1.00 0.00 H new ATOM 1730 N HIS A 110 10.840 3.775 -8.609 1.00 0.00 N ATOM 1731 CA HIS A 110 10.574 2.538 -9.335 1.00 0.00 C ATOM 1732 C HIS A 110 9.261 1.911 -8.876 1.00 0.00 C ATOM 1733 O HIS A 110 8.416 1.548 -9.695 1.00 0.00 O ATOM 1734 CB HIS A 110 11.723 1.549 -9.137 1.00 0.00 C ATOM 1735 CG HIS A 110 11.808 0.507 -10.209 1.00 0.00 C ATOM 1736 ND1 HIS A 110 12.651 0.612 -11.295 1.00 0.00 N ATOM 1737 CD2 HIS A 110 11.150 -0.667 -10.358 1.00 0.00 C ATOM 1738 CE1 HIS A 110 12.507 -0.450 -12.067 1.00 0.00 C ATOM 1739 NE2 HIS A 110 11.602 -1.242 -11.520 1.00 0.00 N ATOM 0 H HIS A 110 11.802 3.875 -8.284 1.00 0.00 H new ATOM 0 HA HIS A 110 10.490 2.778 -10.395 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.663 2.099 -9.102 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.605 1.057 -8.172 1.00 0.00 H new ATOM 0 HD2 HIS A 110 10.408 -1.075 -9.688 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.038 -0.639 -12.988 1.00 0.00 H new ATOM 0 HE2 HIS A 110 11.290 -2.136 -11.899 1.00 0.00 H new ATOM 1747 N ILE A 111 9.098 1.785 -7.563 1.00 0.00 N ATOM 1748 CA ILE A 111 7.888 1.202 -6.997 1.00 0.00 C ATOM 1749 C ILE A 111 6.676 2.088 -7.260 1.00 0.00 C ATOM 1750 O ILE A 111 5.607 1.602 -7.632 1.00 0.00 O ATOM 1751 CB ILE A 111 8.028 0.979 -5.479 1.00 0.00 C ATOM 1752 CG1 ILE A 111 9.169 0.003 -5.188 1.00 0.00 C ATOM 1753 CG2 ILE A 111 6.721 0.463 -4.897 1.00 0.00 C ATOM 1754 CD1 ILE A 111 9.006 -1.338 -5.869 1.00 0.00 C ATOM 0 H ILE A 111 9.788 2.079 -6.872 1.00 0.00 H new ATOM 0 HA ILE A 111 7.743 0.239 -7.486 1.00 0.00 H new ATOM 0 HB ILE A 111 8.262 1.933 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.110 0.451 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.238 -0.152 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 111 6.836 0.310 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 111 5.930 1.191 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 111 6.459 -0.483 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.851 -1.979 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.082 -1.807 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 111 8.967 -1.195 -6.949 1.00 0.00 H new ATOM 1766 N TYR A 112 6.849 3.391 -7.066 1.00 0.00 N ATOM 1767 CA TYR A 112 5.768 4.346 -7.282 1.00 0.00 C ATOM 1768 C TYR A 112 5.139 4.155 -8.659 1.00 0.00 C ATOM 1769 O TYR A 112 3.975 3.771 -8.776 1.00 0.00 O ATOM 1770 CB TYR A 112 6.288 5.777 -7.140 1.00 0.00 C ATOM 1771 CG TYR A 112 5.268 6.831 -7.506 1.00 0.00 C ATOM 1772 CD1 TYR A 112 4.225 7.145 -6.644 1.00 0.00 C ATOM 1773 CD2 TYR A 112 5.347 7.512 -8.714 1.00 0.00 C ATOM 1774 CE1 TYR A 112 3.290 8.107 -6.974 1.00 0.00 C ATOM 1775 CE2 TYR A 112 4.417 8.477 -9.052 1.00 0.00 C ATOM 1776 CZ TYR A 112 3.391 8.770 -8.179 1.00 0.00 C ATOM 1777 OH TYR A 112 2.462 9.729 -8.513 1.00 0.00 O ATOM 0 H TYR A 112 7.727 3.810 -6.760 1.00 0.00 H new ATOM 0 HA TYR A 112 5.003 4.168 -6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.610 5.937 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.167 5.899 -7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.144 6.628 -5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.149 7.284 -9.401 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.485 8.338 -6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.494 8.999 -9.995 1.00 0.00 H new ATOM 0 HH TYR A 112 2.677 10.100 -9.394 1.00 0.00 H new ATOM 1787 N LYS A 113 5.919 4.426 -9.700 1.00 0.00 N ATOM 1788 CA LYS A 113 5.442 4.284 -11.071 1.00 0.00 C ATOM 1789 C LYS A 113 4.700 2.963 -11.254 1.00 0.00 C ATOM 1790 O LYS A 113 3.736 2.882 -12.017 1.00 0.00 O ATOM 1791 CB LYS A 113 6.614 4.363 -12.051 1.00 0.00 C ATOM 1792 CG LYS A 113 7.436 5.633 -11.915 1.00 0.00 C ATOM 1793 CD LYS A 113 8.744 5.536 -12.682 1.00 0.00 C ATOM 1794 CE LYS A 113 9.640 4.443 -12.118 1.00 0.00 C ATOM 1795 NZ LYS A 113 11.042 4.569 -12.605 1.00 0.00 N ATOM 0 H LYS A 113 6.884 4.745 -9.621 1.00 0.00 H new ATOM 0 HA LYS A 113 4.750 5.101 -11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.264 3.501 -11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.231 4.296 -13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.859 6.482 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.644 5.822 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.537 5.332 -13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.264 6.493 -12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.628 4.490 -11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.244 3.467 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.642 3.871 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.070 4.398 -13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.395 5.526 -12.404 1.00 0.00 H new ATOM 1809 N LEU A 114 5.154 1.932 -10.551 1.00 0.00 N ATOM 1810 CA LEU A 114 4.533 0.615 -10.635 1.00 0.00 C ATOM 1811 C LEU A 114 3.154 0.621 -9.982 1.00 0.00 C ATOM 1812 O LEU A 114 2.134 0.511 -10.661 1.00 0.00 O ATOM 1813 CB LEU A 114 5.422 -0.434 -9.966 1.00 0.00 C ATOM 1814 CG LEU A 114 4.734 -1.738 -9.560 1.00 0.00 C ATOM 1815 CD1 LEU A 114 4.786 -2.746 -10.698 1.00 0.00 C ATOM 1816 CD2 LEU A 114 5.376 -2.312 -8.306 1.00 0.00 C ATOM 0 H LEU A 114 5.951 1.982 -9.916 1.00 0.00 H new ATOM 0 HA LEU A 114 4.415 0.363 -11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.240 -0.675 -10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.867 0.011 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 114 3.688 -1.522 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.292 -3.668 -10.391 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.278 -2.336 -11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.825 -2.958 -10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.874 -3.240 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.430 -2.513 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.285 -1.595 -7.490 1.00 0.00 H new ATOM 1828 N MET A 115 3.132 0.752 -8.659 1.00 0.00 N ATOM 1829 CA MET A 115 1.879 0.776 -7.915 1.00 0.00 C ATOM 1830 C MET A 115 0.830 1.612 -8.642 1.00 0.00 C ATOM 1831 O MET A 115 -0.346 1.251 -8.685 1.00 0.00 O ATOM 1832 CB MET A 115 2.106 1.333 -6.508 1.00 0.00 C ATOM 1833 CG MET A 115 3.110 0.533 -5.693 1.00 0.00 C ATOM 1834 SD MET A 115 3.196 1.072 -3.975 1.00 0.00 S ATOM 1835 CE MET A 115 3.839 2.732 -4.173 1.00 0.00 C ATOM 0 H MET A 115 3.968 0.843 -8.081 1.00 0.00 H new ATOM 0 HA MET A 115 1.513 -0.248 -7.838 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.452 2.364 -6.585 1.00 0.00 H new ATOM 0 HB3 MET A 115 1.154 1.355 -5.977 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.840 -0.522 -5.726 1.00 0.00 H new ATOM 0 HG3 MET A 115 4.096 0.624 -6.148 1.00 0.00 H new ATOM 0 HE1 MET A 115 4.857 2.776 -3.786 1.00 0.00 H new ATOM 0 HE2 MET A 115 3.840 2.998 -5.230 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.211 3.433 -3.623 1.00 0.00 H new ATOM 1845 N LYS A 116 1.264 2.731 -9.212 1.00 0.00 N ATOM 1846 CA LYS A 116 0.364 3.619 -9.939 1.00 0.00 C ATOM 1847 C LYS A 116 -0.701 2.822 -10.685 1.00 0.00 C ATOM 1848 O LYS A 116 -1.882 2.871 -10.339 1.00 0.00 O ATOM 1849 CB LYS A 116 1.153 4.484 -10.925 1.00 0.00 C ATOM 1850 CG LYS A 116 1.900 5.630 -10.266 1.00 0.00 C ATOM 1851 CD LYS A 116 2.766 6.379 -11.265 1.00 0.00 C ATOM 1852 CE LYS A 116 2.047 7.597 -11.823 1.00 0.00 C ATOM 1853 NZ LYS A 116 2.736 8.146 -13.024 1.00 0.00 N ATOM 0 H LYS A 116 2.234 3.045 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.132 4.265 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.866 3.855 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.467 4.889 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.186 6.319 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.524 5.243 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 116 3.692 6.691 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.041 5.712 -12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.024 7.327 -12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.988 8.368 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.215 8.975 -13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.705 8.427 -12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.770 7.419 -13.767 1.00 0.00 H new ATOM 1867 N SER A 117 -0.276 2.088 -11.708 1.00 0.00 N ATOM 1868 CA SER A 117 -1.195 1.282 -12.504 1.00 0.00 C ATOM 1869 C SER A 117 -0.897 -0.205 -12.338 1.00 0.00 C ATOM 1870 O SER A 117 -1.321 -1.028 -13.149 1.00 0.00 O ATOM 1871 CB SER A 117 -1.100 1.672 -13.981 1.00 0.00 C ATOM 1872 OG SER A 117 -2.264 1.279 -14.687 1.00 0.00 O ATOM 0 H SER A 117 0.698 2.035 -12.005 1.00 0.00 H new ATOM 0 HA SER A 117 -2.208 1.473 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.965 2.750 -14.068 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.224 1.203 -14.429 1.00 0.00 H new ATOM 0 HG SER A 117 -2.456 0.336 -14.503 1.00 0.00 H new ATOM 1878 N ASP A 118 -0.165 -0.540 -11.282 1.00 0.00 N ATOM 1879 CA ASP A 118 0.190 -1.928 -11.007 1.00 0.00 C ATOM 1880 C ASP A 118 -0.741 -2.530 -9.959 1.00 0.00 C ATOM 1881 O ASP A 118 -1.507 -3.449 -10.250 1.00 0.00 O ATOM 1882 CB ASP A 118 1.641 -2.021 -10.531 1.00 0.00 C ATOM 1883 CG ASP A 118 2.079 -3.451 -10.288 1.00 0.00 C ATOM 1884 OD1 ASP A 118 2.303 -4.180 -11.277 1.00 0.00 O ATOM 1885 OD2 ASP A 118 2.198 -3.843 -9.108 1.00 0.00 O ATOM 0 H ASP A 118 0.194 0.130 -10.602 1.00 0.00 H new ATOM 0 HA ASP A 118 0.082 -2.495 -11.932 1.00 0.00 H new ATOM 0 HB2 ASP A 118 2.294 -1.565 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.756 -1.447 -9.611 1.00 0.00 H new ATOM 1890 N SER A 119 -0.669 -2.007 -8.740 1.00 0.00 N ATOM 1891 CA SER A 119 -1.502 -2.496 -7.648 1.00 0.00 C ATOM 1892 C SER A 119 -2.822 -1.732 -7.587 1.00 0.00 C ATOM 1893 O SER A 119 -3.898 -2.330 -7.570 1.00 0.00 O ATOM 1894 CB SER A 119 -0.762 -2.365 -6.315 1.00 0.00 C ATOM 1895 OG SER A 119 0.085 -1.229 -6.312 1.00 0.00 O ATOM 0 H SER A 119 -0.042 -1.244 -8.483 1.00 0.00 H new ATOM 0 HA SER A 119 -1.719 -3.548 -7.833 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.483 -2.287 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.172 -3.263 -6.133 1.00 0.00 H new ATOM 0 HG SER A 119 0.545 -1.166 -5.449 1.00 0.00 H new ATOM 1901 N TYR A 120 -2.730 -0.407 -7.554 1.00 0.00 N ATOM 1902 CA TYR A 120 -3.915 0.440 -7.492 1.00 0.00 C ATOM 1903 C TYR A 120 -5.077 -0.193 -8.251 1.00 0.00 C ATOM 1904 O TYR A 120 -6.194 -0.307 -7.746 1.00 0.00 O ATOM 1905 CB TYR A 120 -3.609 1.824 -8.068 1.00 0.00 C ATOM 1906 CG TYR A 120 -4.844 2.604 -8.457 1.00 0.00 C ATOM 1907 CD1 TYR A 120 -5.620 3.241 -7.496 1.00 0.00 C ATOM 1908 CD2 TYR A 120 -5.235 2.705 -9.787 1.00 0.00 C ATOM 1909 CE1 TYR A 120 -6.749 3.954 -7.848 1.00 0.00 C ATOM 1910 CE2 TYR A 120 -6.363 3.418 -10.148 1.00 0.00 C ATOM 1911 CZ TYR A 120 -7.116 4.040 -9.175 1.00 0.00 C ATOM 1912 OH TYR A 120 -8.240 4.751 -9.529 1.00 0.00 O ATOM 0 H TYR A 120 -1.847 0.103 -7.569 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.202 0.544 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.044 2.397 -7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.970 1.711 -8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.335 3.177 -6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -4.648 2.218 -10.551 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.342 4.442 -7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -6.653 3.487 -11.186 1.00 0.00 H new ATOM 0 HH TYR A 120 -8.358 4.714 -10.501 1.00 0.00 H new ATOM 1922 N PRO A 121 -4.809 -0.617 -9.496 1.00 0.00 N ATOM 1923 CA PRO A 121 -5.818 -1.247 -10.352 1.00 0.00 C ATOM 1924 C PRO A 121 -6.592 -2.343 -9.626 1.00 0.00 C ATOM 1925 O PRO A 121 -7.814 -2.273 -9.500 1.00 0.00 O ATOM 1926 CB PRO A 121 -4.992 -1.843 -11.494 1.00 0.00 C ATOM 1927 CG PRO A 121 -3.765 -1.000 -11.553 1.00 0.00 C ATOM 1928 CD PRO A 121 -3.500 -0.513 -10.162 1.00 0.00 C ATOM 0 HA PRO A 121 -6.575 -0.535 -10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.746 -2.887 -11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.539 -1.813 -12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -2.919 -1.576 -11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.906 -0.161 -12.235 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -2.747 -1.123 -9.662 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.131 0.513 -10.161 1.00 0.00 H new ATOM 1936 N ARG A 122 -5.871 -3.354 -9.151 1.00 0.00 N ATOM 1937 CA ARG A 122 -6.491 -4.465 -8.438 1.00 0.00 C ATOM 1938 C ARG A 122 -7.451 -3.956 -7.367 1.00 0.00 C ATOM 1939 O ARG A 122 -8.604 -4.381 -7.299 1.00 0.00 O ATOM 1940 CB ARG A 122 -5.419 -5.349 -7.799 1.00 0.00 C ATOM 1941 CG ARG A 122 -4.697 -6.245 -8.793 1.00 0.00 C ATOM 1942 CD ARG A 122 -3.314 -6.631 -8.291 1.00 0.00 C ATOM 1943 NE ARG A 122 -2.706 -7.675 -9.113 1.00 0.00 N ATOM 1944 CZ ARG A 122 -2.885 -8.974 -8.902 1.00 0.00 C ATOM 1945 NH1 ARG A 122 -3.652 -9.387 -7.902 1.00 0.00 N ATOM 1946 NH2 ARG A 122 -2.298 -9.863 -9.693 1.00 0.00 N ATOM 0 H ARG A 122 -4.858 -3.427 -9.247 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.058 -5.055 -9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -4.688 -4.715 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.882 -5.970 -7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -5.286 -7.145 -8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -4.608 -5.731 -9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.671 -5.751 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -3.386 -6.977 -7.260 1.00 0.00 H new ATOM 0 HE ARG A 122 -2.112 -7.391 -9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -4.106 -8.706 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.788 -10.385 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.709 -9.549 -10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.436 -10.860 -9.530 1.00 0.00 H new ATOM 1960 N PHE A 123 -6.967 -3.043 -6.531 1.00 0.00 N ATOM 1961 CA PHE A 123 -7.781 -2.477 -5.462 1.00 0.00 C ATOM 1962 C PHE A 123 -9.221 -2.277 -5.923 1.00 0.00 C ATOM 1963 O PHE A 123 -10.155 -2.813 -5.326 1.00 0.00 O ATOM 1964 CB PHE A 123 -7.193 -1.144 -4.996 1.00 0.00 C ATOM 1965 CG PHE A 123 -7.924 -0.541 -3.831 1.00 0.00 C ATOM 1966 CD1 PHE A 123 -8.034 -1.229 -2.633 1.00 0.00 C ATOM 1967 CD2 PHE A 123 -8.502 0.714 -3.933 1.00 0.00 C ATOM 1968 CE1 PHE A 123 -8.706 -0.677 -1.559 1.00 0.00 C ATOM 1969 CE2 PHE A 123 -9.175 1.272 -2.862 1.00 0.00 C ATOM 1970 CZ PHE A 123 -9.278 0.574 -1.674 1.00 0.00 C ATOM 0 H PHE A 123 -6.015 -2.679 -6.574 1.00 0.00 H new ATOM 0 HA PHE A 123 -7.779 -3.178 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -6.149 -1.293 -4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -7.207 -0.439 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.589 -2.208 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.426 1.263 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -8.784 -1.224 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -9.620 2.252 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.805 1.007 -0.837 1.00 0.00 H new ATOM 1980 N ILE A 124 -9.393 -1.503 -6.989 1.00 0.00 N ATOM 1981 CA ILE A 124 -10.719 -1.232 -7.531 1.00 0.00 C ATOM 1982 C ILE A 124 -11.447 -2.528 -7.875 1.00 0.00 C ATOM 1983 O ILE A 124 -12.518 -2.812 -7.339 1.00 0.00 O ATOM 1984 CB ILE A 124 -10.644 -0.348 -8.789 1.00 0.00 C ATOM 1985 CG1 ILE A 124 -9.993 0.996 -8.457 1.00 0.00 C ATOM 1986 CG2 ILE A 124 -12.032 -0.141 -9.375 1.00 0.00 C ATOM 1987 CD1 ILE A 124 -9.453 1.722 -9.668 1.00 0.00 C ATOM 0 H ILE A 124 -8.631 -1.052 -7.495 1.00 0.00 H new ATOM 0 HA ILE A 124 -11.274 -0.701 -6.758 1.00 0.00 H new ATOM 0 HB ILE A 124 -10.029 -0.853 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -10.725 1.632 -7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -9.180 0.832 -7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -11.962 0.486 -10.264 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -12.461 -1.106 -9.645 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -12.670 0.346 -8.637 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -9.006 2.666 -9.357 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -8.697 1.106 -10.155 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -10.266 1.918 -10.367 1.00 0.00 H new ATOM 1999 N ARG A 125 -10.857 -3.310 -8.773 1.00 0.00 N ATOM 2000 CA ARG A 125 -11.448 -4.576 -9.189 1.00 0.00 C ATOM 2001 C ARG A 125 -11.970 -5.354 -7.985 1.00 0.00 C ATOM 2002 O ARG A 125 -13.057 -5.931 -8.030 1.00 0.00 O ATOM 2003 CB ARG A 125 -10.421 -5.418 -9.948 1.00 0.00 C ATOM 2004 CG ARG A 125 -10.366 -5.117 -11.436 1.00 0.00 C ATOM 2005 CD ARG A 125 -9.822 -3.722 -11.703 1.00 0.00 C ATOM 2006 NE ARG A 125 -9.189 -3.622 -13.015 1.00 0.00 N ATOM 2007 CZ ARG A 125 -8.112 -4.315 -13.367 1.00 0.00 C ATOM 2008 NH1 ARG A 125 -7.550 -5.154 -12.508 1.00 0.00 N ATOM 2009 NH2 ARG A 125 -7.595 -4.170 -14.580 1.00 0.00 N ATOM 0 H ARG A 125 -9.970 -3.089 -9.226 1.00 0.00 H new ATOM 0 HA ARG A 125 -12.287 -4.357 -9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -9.435 -5.250 -9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -10.654 -6.473 -9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -9.738 -5.855 -11.935 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -11.365 -5.207 -11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -10.634 -2.998 -11.636 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -9.098 -3.461 -10.931 1.00 0.00 H new ATOM 0 HE ARG A 125 -9.597 -2.985 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.945 -5.268 -11.574 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.723 -5.685 -12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.025 -3.526 -15.244 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.768 -4.703 -14.849 1.00 0.00 H new ATOM 2023 N SER A 126 -11.189 -5.365 -6.910 1.00 0.00 N ATOM 2024 CA SER A 126 -11.570 -6.076 -5.695 1.00 0.00 C ATOM 2025 C SER A 126 -12.794 -5.432 -5.051 1.00 0.00 C ATOM 2026 O SER A 126 -12.982 -4.218 -5.126 1.00 0.00 O ATOM 2027 CB SER A 126 -10.406 -6.093 -4.702 1.00 0.00 C ATOM 2028 OG SER A 126 -10.580 -7.110 -3.731 1.00 0.00 O ATOM 0 H SER A 126 -10.288 -4.890 -6.855 1.00 0.00 H new ATOM 0 HA SER A 126 -11.821 -7.101 -5.967 1.00 0.00 H new ATOM 0 HB2 SER A 126 -9.470 -6.253 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.330 -5.124 -4.209 1.00 0.00 H new ATOM 0 HG SER A 126 -9.704 -7.442 -3.444 1.00 0.00 H new ATOM 2034 N SER A 127 -13.623 -6.255 -4.417 1.00 0.00 N ATOM 2035 CA SER A 127 -14.832 -5.768 -3.762 1.00 0.00 C ATOM 2036 C SER A 127 -14.484 -4.910 -2.549 1.00 0.00 C ATOM 2037 O SER A 127 -15.170 -3.934 -2.249 1.00 0.00 O ATOM 2038 CB SER A 127 -15.714 -6.942 -3.334 1.00 0.00 C ATOM 2039 OG SER A 127 -17.008 -6.499 -2.964 1.00 0.00 O ATOM 0 H SER A 127 -13.480 -7.262 -4.343 1.00 0.00 H new ATOM 0 HA SER A 127 -15.380 -5.153 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 127 -15.792 -7.659 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 127 -15.251 -7.462 -2.496 1.00 0.00 H new ATOM 0 HG SER A 127 -17.553 -7.268 -2.696 1.00 0.00 H new ATOM 2045 N ALA A 128 -13.413 -5.283 -1.856 1.00 0.00 N ATOM 2046 CA ALA A 128 -12.972 -4.548 -0.677 1.00 0.00 C ATOM 2047 C ALA A 128 -13.165 -3.047 -0.862 1.00 0.00 C ATOM 2048 O ALA A 128 -13.585 -2.347 0.060 1.00 0.00 O ATOM 2049 CB ALA A 128 -11.514 -4.861 -0.375 1.00 0.00 C ATOM 0 H ALA A 128 -12.835 -6.090 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 128 -13.583 -4.865 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.198 -4.305 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -11.402 -5.929 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.896 -4.573 -1.226 1.00 0.00 H new ATOM 2055 N TYR A 129 -12.856 -2.558 -2.058 1.00 0.00 N ATOM 2056 CA TYR A 129 -12.993 -1.139 -2.362 1.00 0.00 C ATOM 2057 C TYR A 129 -14.462 -0.730 -2.403 1.00 0.00 C ATOM 2058 O TYR A 129 -14.875 0.206 -1.719 1.00 0.00 O ATOM 2059 CB TYR A 129 -12.325 -0.816 -3.700 1.00 0.00 C ATOM 2060 CG TYR A 129 -12.819 0.467 -4.329 1.00 0.00 C ATOM 2061 CD1 TYR A 129 -12.301 1.697 -3.944 1.00 0.00 C ATOM 2062 CD2 TYR A 129 -13.802 0.449 -5.311 1.00 0.00 C ATOM 2063 CE1 TYR A 129 -12.750 2.872 -4.515 1.00 0.00 C ATOM 2064 CE2 TYR A 129 -14.256 1.618 -5.889 1.00 0.00 C ATOM 2065 CZ TYR A 129 -13.727 2.827 -5.488 1.00 0.00 C ATOM 2066 OH TYR A 129 -14.176 3.995 -6.061 1.00 0.00 O ATOM 0 H TYR A 129 -12.509 -3.124 -2.833 1.00 0.00 H new ATOM 0 HA TYR A 129 -12.499 -0.575 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -11.247 -0.746 -3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.499 -1.640 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -11.534 1.735 -3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.218 -0.496 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -12.339 3.820 -4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -15.021 1.586 -6.651 1.00 0.00 H new ATOM 0 HH TYR A 129 -14.767 3.784 -6.814 1.00 0.00 H new ATOM 2076 N GLN A 130 -15.245 -1.439 -3.210 1.00 0.00 N ATOM 2077 CA GLN A 130 -16.669 -1.150 -3.340 1.00 0.00 C ATOM 2078 C GLN A 130 -17.350 -1.145 -1.976 1.00 0.00 C ATOM 2079 O GLN A 130 -18.239 -0.334 -1.719 1.00 0.00 O ATOM 2080 CB GLN A 130 -17.338 -2.179 -4.253 1.00 0.00 C ATOM 2081 CG GLN A 130 -16.663 -2.319 -5.608 1.00 0.00 C ATOM 2082 CD GLN A 130 -17.238 -1.377 -6.647 1.00 0.00 C ATOM 2083 OE1 GLN A 130 -18.303 -0.791 -6.449 1.00 0.00 O ATOM 2084 NE2 GLN A 130 -16.535 -1.225 -7.764 1.00 0.00 N ATOM 0 H GLN A 130 -14.918 -2.217 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 130 -16.774 -0.159 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -17.339 -3.148 -3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -18.380 -1.897 -4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -15.596 -2.126 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -16.767 -3.346 -5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.657 -1.730 -7.887 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -16.873 -0.603 -8.499 1.00 0.00 H new ATOM 2093 N GLU A 131 -16.927 -2.056 -1.105 1.00 0.00 N ATOM 2094 CA GLU A 131 -17.499 -2.156 0.233 1.00 0.00 C ATOM 2095 C GLU A 131 -17.866 -0.776 0.773 1.00 0.00 C ATOM 2096 O GLU A 131 -19.032 -0.498 1.055 1.00 0.00 O ATOM 2097 CB GLU A 131 -16.514 -2.841 1.183 1.00 0.00 C ATOM 2098 CG GLU A 131 -16.192 -4.275 0.795 1.00 0.00 C ATOM 2099 CD GLU A 131 -17.306 -5.240 1.150 1.00 0.00 C ATOM 2100 OE1 GLU A 131 -18.374 -5.176 0.504 1.00 0.00 O ATOM 2101 OE2 GLU A 131 -17.112 -6.058 2.073 1.00 0.00 O ATOM 0 H GLU A 131 -16.191 -2.735 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.407 -2.755 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -15.589 -2.265 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.928 -2.830 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.003 -4.323 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.275 -4.585 1.295 1.00 0.00 H new ATOM 2108 N LEU A 132 -16.862 0.083 0.914 1.00 0.00 N ATOM 2109 CA LEU A 132 -17.078 1.434 1.420 1.00 0.00 C ATOM 2110 C LEU A 132 -18.174 2.143 0.631 1.00 0.00 C ATOM 2111 O LEU A 132 -19.208 2.520 1.184 1.00 0.00 O ATOM 2112 CB LEU A 132 -15.780 2.240 1.348 1.00 0.00 C ATOM 2113 CG LEU A 132 -14.607 1.699 2.166 1.00 0.00 C ATOM 2114 CD1 LEU A 132 -15.095 1.147 3.497 1.00 0.00 C ATOM 2115 CD2 LEU A 132 -13.860 0.628 1.384 1.00 0.00 C ATOM 0 H LEU A 132 -15.891 -0.132 0.685 1.00 0.00 H new ATOM 0 HA LEU A 132 -17.395 1.359 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -15.471 2.301 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -15.989 3.257 1.679 1.00 0.00 H new ATOM 0 HG LEU A 132 -13.919 2.520 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -14.247 0.766 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -15.585 1.940 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -15.804 0.339 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -13.029 0.254 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -14.538 -0.193 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -13.477 1.055 0.457 1.00 0.00 H new ATOM 2127 N LEU A 133 -17.943 2.319 -0.666 1.00 0.00 N ATOM 2128 CA LEU A 133 -18.912 2.981 -1.533 1.00 0.00 C ATOM 2129 C LEU A 133 -20.336 2.567 -1.173 1.00 0.00 C ATOM 2130 O LEU A 133 -21.147 3.394 -0.758 1.00 0.00 O ATOM 2131 CB LEU A 133 -18.626 2.647 -2.998 1.00 0.00 C ATOM 2132 CG LEU A 133 -17.546 3.488 -3.679 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -17.164 2.881 -5.020 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -18.019 4.923 -3.857 1.00 0.00 C ATOM 0 H LEU A 133 -17.093 2.013 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 133 -18.818 4.057 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -18.335 1.598 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -19.552 2.755 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.662 3.495 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -16.394 3.493 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -16.782 1.872 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -18.042 2.843 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -17.237 5.506 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -18.918 4.936 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -18.242 5.356 -2.882 1.00 0.00 H new ATOM 2146 N SER A 134 -20.631 1.281 -1.335 1.00 0.00 N ATOM 2147 CA SER A 134 -21.957 0.757 -1.030 1.00 0.00 C ATOM 2148 C SER A 134 -22.356 1.092 0.404 1.00 0.00 C ATOM 2149 O SER A 134 -23.412 1.674 0.647 1.00 0.00 O ATOM 2150 CB SER A 134 -21.991 -0.758 -1.240 1.00 0.00 C ATOM 2151 OG SER A 134 -23.217 -1.308 -0.789 1.00 0.00 O ATOM 0 H SER A 134 -19.970 0.583 -1.676 1.00 0.00 H new ATOM 0 HA SER A 134 -22.671 1.226 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 134 -21.854 -0.985 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 134 -21.162 -1.221 -0.705 1.00 0.00 H new ATOM 0 HG SER A 134 -23.214 -2.277 -0.936 1.00 0.00 H new ATOM 2157 N GLY A 135 -21.502 0.718 1.352 1.00 0.00 N ATOM 2158 CA GLY A 135 -21.782 0.986 2.751 1.00 0.00 C ATOM 2159 C GLY A 135 -20.697 1.813 3.412 1.00 0.00 C ATOM 2160 O GLY A 135 -19.653 1.298 3.814 1.00 0.00 O ATOM 0 H GLY A 135 -20.621 0.234 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -22.735 1.509 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -21.890 0.041 3.284 1.00 0.00 H new ATOM 2164 N PRO A 136 -20.937 3.127 3.529 1.00 0.00 N ATOM 2165 CA PRO A 136 -19.983 4.055 4.144 1.00 0.00 C ATOM 2166 C PRO A 136 -19.857 3.844 5.649 1.00 0.00 C ATOM 2167 O PRO A 136 -20.858 3.763 6.360 1.00 0.00 O ATOM 2168 CB PRO A 136 -20.583 5.431 3.845 1.00 0.00 C ATOM 2169 CG PRO A 136 -22.042 5.180 3.678 1.00 0.00 C ATOM 2170 CD PRO A 136 -22.159 3.809 3.071 1.00 0.00 C ATOM 0 HA PRO A 136 -18.974 3.921 3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.392 6.131 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -20.150 5.864 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -22.559 5.228 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -22.496 5.932 3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -23.058 3.294 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -22.210 3.854 1.983 1.00 0.00 H new ATOM 2178 N SER A 137 -18.620 3.755 6.128 1.00 0.00 N ATOM 2179 CA SER A 137 -18.364 3.550 7.549 1.00 0.00 C ATOM 2180 C SER A 137 -17.079 4.254 7.976 1.00 0.00 C ATOM 2181 O SER A 137 -16.037 4.110 7.335 1.00 0.00 O ATOM 2182 CB SER A 137 -18.268 2.056 7.861 1.00 0.00 C ATOM 2183 OG SER A 137 -19.556 1.472 7.957 1.00 0.00 O ATOM 0 H SER A 137 -17.780 3.822 5.553 1.00 0.00 H new ATOM 0 HA SER A 137 -19.196 3.978 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 137 -17.695 1.554 7.081 1.00 0.00 H new ATOM 0 HB3 SER A 137 -17.728 1.910 8.797 1.00 0.00 H new ATOM 0 HG SER A 137 -20.218 2.072 7.555 1.00 0.00 H new ATOM 2189 N SER A 138 -17.161 5.014 9.063 1.00 0.00 N ATOM 2190 CA SER A 138 -16.007 5.743 9.575 1.00 0.00 C ATOM 2191 C SER A 138 -15.941 5.657 11.096 1.00 0.00 C ATOM 2192 O SER A 138 -16.860 5.154 11.741 1.00 0.00 O ATOM 2193 CB SER A 138 -16.067 7.208 9.137 1.00 0.00 C ATOM 2194 OG SER A 138 -15.429 7.394 7.886 1.00 0.00 O ATOM 0 H SER A 138 -18.015 5.141 9.606 1.00 0.00 H new ATOM 0 HA SER A 138 -15.107 5.285 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 138 -17.107 7.528 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 138 -15.589 7.835 9.889 1.00 0.00 H new ATOM 0 HG SER A 138 -15.483 8.338 7.628 1.00 0.00 H new ATOM 2200 N GLY A 139 -14.845 6.153 11.664 1.00 0.00 N ATOM 2201 CA GLY A 139 -14.678 6.123 13.105 1.00 0.00 C ATOM 2202 C GLY A 139 -15.026 7.447 13.757 1.00 0.00 C ATOM 2203 O GLY A 139 -14.260 8.406 13.676 1.00 0.00 O ATOM 0 H GLY A 139 -14.070 6.575 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -15.308 5.338 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -13.646 5.865 13.343 1.00 0.00 H new TER 2207 GLY A 139