USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 961 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 30 GLN : amide:sc= -0.451 K(o=-8.6,f=-6) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -8.15! C(o=-8.6!,f=-6!) USER MOD Set 2.1: A 73 THR OG1 : rot 85:sc= 0.104 USER MOD Set 2.2: A 92 HIS : no HD1:sc= 0.727 K(o=0.83,f=-4.3!) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.844 K(o=-1.1,f=-2.5!) USER MOD Set 3.2: A 46 GLN : amide:sc= -0.217 K(o=-1.1,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00505 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -7.78! K(o=-7.8!,f=-4.4) USER MOD Single : A 20 SER OG : rot -1:sc= -0.908 USER MOD Single : A 24 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-1.9) USER MOD Single : A 27 MET CE :methyl -158:sc= -0.413 (180deg=-1.43) USER MOD Single : A 28 THR OG1 : rot -96:sc= 0.00533 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 45 THR OG1 : rot -170:sc= -0.533 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.6) USER MOD Single : A 56 THR OG1 : rot 90:sc= 0.524 USER MOD Single : A 58 GLN : amide:sc= -4.42! C(o=-4.4!,f=-9.5!) USER MOD Single : A 63 ASN : amide:sc= -3.62! K(o=-3.6!,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.29! X(o=-3.3!,f=-3.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -6.95! C(o=-6.9!,f=-4.7!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -10.2! C(o=-10!,f=-18!) USER MOD Single : A 83 SER OG : rot 176:sc= -2.38! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.258 K(o=-0.26,f=-1.6) USER MOD Single : A 93 SER OG : rot 99:sc= 0.332 USER MOD Single : A 94 TYR OH : rot -162:sc= -0.639 USER MOD Single : A 102 ASN : amide:sc= -2.93! C(o=-2.9!,f=-7!) USER MOD Single : A 106 TYR OH : rot 163:sc= 0.0861 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= -0.0154 (180deg=-0.196) USER MOD Single : A 114 THR OG1 : rot -56:sc= 0.548 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 151:sc= 0.185 (180deg=0.0107) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.976 5.890 -36.901 1.00 0.00 N ATOM 2 CA GLY A 1 -24.845 5.440 -36.112 1.00 0.00 C ATOM 3 C GLY A 1 -25.129 4.147 -35.375 1.00 0.00 C ATOM 4 O GLY A 1 -25.747 4.154 -34.310 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.731 6.777 -37.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.217 5.166 -37.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.793 6.050 -36.277 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.983 5.301 -36.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.578 6.214 -35.392 1.00 0.00 H new ATOM 8 N SER A 2 -24.680 3.032 -35.943 1.00 0.00 N ATOM 9 CA SER A 2 -24.895 1.724 -35.335 1.00 0.00 C ATOM 10 C SER A 2 -24.547 1.751 -33.850 1.00 0.00 C ATOM 11 O SER A 2 -23.421 2.072 -33.471 1.00 0.00 O ATOM 12 CB SER A 2 -24.054 0.663 -36.048 1.00 0.00 C ATOM 13 OG SER A 2 -24.670 0.252 -37.256 1.00 0.00 O ATOM 0 H SER A 2 -24.165 3.008 -36.823 1.00 0.00 H new ATOM 0 HA SER A 2 -25.950 1.472 -35.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.062 1.062 -36.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.918 -0.198 -35.394 1.00 0.00 H new ATOM 0 HG SER A 2 -24.113 -0.425 -37.694 1.00 0.00 H new ATOM 19 N SER A 3 -25.523 1.413 -33.014 1.00 0.00 N ATOM 20 CA SER A 3 -25.323 1.402 -31.570 1.00 0.00 C ATOM 21 C SER A 3 -24.992 -0.004 -31.078 1.00 0.00 C ATOM 22 O SER A 3 -25.710 -0.960 -31.367 1.00 0.00 O ATOM 23 CB SER A 3 -26.572 1.923 -30.856 1.00 0.00 C ATOM 24 OG SER A 3 -26.357 2.023 -29.459 1.00 0.00 O ATOM 0 H SER A 3 -26.460 1.143 -33.312 1.00 0.00 H new ATOM 0 HA SER A 3 -24.482 2.056 -31.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.842 2.900 -31.256 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.411 1.255 -31.051 1.00 0.00 H new ATOM 0 HG SER A 3 -27.169 2.360 -29.026 1.00 0.00 H new ATOM 30 N GLY A 4 -23.897 -0.121 -30.332 1.00 0.00 N ATOM 31 CA GLY A 4 -23.489 -1.413 -29.812 1.00 0.00 C ATOM 32 C GLY A 4 -22.025 -1.443 -29.419 1.00 0.00 C ATOM 33 O GLY A 4 -21.207 -0.725 -29.992 1.00 0.00 O ATOM 0 H GLY A 4 -23.286 0.655 -30.079 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.100 -1.662 -28.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.676 -2.180 -30.564 1.00 0.00 H new ATOM 37 N SER A 5 -21.695 -2.275 -28.437 1.00 0.00 N ATOM 38 CA SER A 5 -20.321 -2.392 -27.964 1.00 0.00 C ATOM 39 C SER A 5 -19.987 -3.840 -27.616 1.00 0.00 C ATOM 40 O SER A 5 -20.739 -4.509 -26.908 1.00 0.00 O ATOM 41 CB SER A 5 -20.102 -1.499 -26.741 1.00 0.00 C ATOM 42 OG SER A 5 -18.755 -1.067 -26.659 1.00 0.00 O ATOM 0 H SER A 5 -22.360 -2.878 -27.953 1.00 0.00 H new ATOM 0 HA SER A 5 -19.658 -2.067 -28.766 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.762 -0.633 -26.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.368 -2.045 -25.836 1.00 0.00 H new ATOM 0 HG SER A 5 -18.642 -0.497 -25.870 1.00 0.00 H new ATOM 48 N SER A 6 -18.853 -4.316 -28.121 1.00 0.00 N ATOM 49 CA SER A 6 -18.420 -5.686 -27.868 1.00 0.00 C ATOM 50 C SER A 6 -17.329 -5.722 -26.802 1.00 0.00 C ATOM 51 O SER A 6 -16.928 -6.792 -26.344 1.00 0.00 O ATOM 52 CB SER A 6 -17.910 -6.328 -29.159 1.00 0.00 C ATOM 53 OG SER A 6 -17.067 -5.440 -29.872 1.00 0.00 O ATOM 0 H SER A 6 -18.218 -3.774 -28.707 1.00 0.00 H new ATOM 0 HA SER A 6 -19.278 -6.252 -27.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.365 -7.242 -28.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.755 -6.614 -29.785 1.00 0.00 H new ATOM 0 HG SER A 6 -16.753 -5.875 -30.692 1.00 0.00 H new ATOM 59 N GLY A 7 -16.851 -4.544 -26.412 1.00 0.00 N ATOM 60 CA GLY A 7 -15.811 -4.463 -25.404 1.00 0.00 C ATOM 61 C GLY A 7 -15.047 -3.155 -25.463 1.00 0.00 C ATOM 62 O GLY A 7 -15.021 -2.491 -26.499 1.00 0.00 O ATOM 0 H GLY A 7 -17.166 -3.645 -26.776 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.257 -4.575 -24.416 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.116 -5.292 -25.536 1.00 0.00 H new ATOM 66 N GLU A 8 -14.425 -2.783 -24.348 1.00 0.00 N ATOM 67 CA GLU A 8 -13.660 -1.544 -24.278 1.00 0.00 C ATOM 68 C GLU A 8 -12.285 -1.787 -23.663 1.00 0.00 C ATOM 69 O GLU A 8 -12.130 -2.631 -22.781 1.00 0.00 O ATOM 70 CB GLU A 8 -14.418 -0.495 -23.461 1.00 0.00 C ATOM 71 CG GLU A 8 -14.827 -0.979 -22.080 1.00 0.00 C ATOM 72 CD GLU A 8 -15.288 0.150 -21.179 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.584 1.179 -21.111 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.353 0.005 -20.543 1.00 0.00 O ATOM 0 H GLU A 8 -14.436 -3.322 -23.482 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.524 -1.174 -25.294 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.794 0.392 -23.356 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.310 -0.194 -24.010 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.629 -1.711 -22.178 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.984 -1.490 -21.614 1.00 0.00 H new ATOM 81 N GLU A 9 -11.291 -1.042 -24.136 1.00 0.00 N ATOM 82 CA GLU A 9 -9.929 -1.179 -23.633 1.00 0.00 C ATOM 83 C GLU A 9 -9.573 -0.021 -22.705 1.00 0.00 C ATOM 84 O GLU A 9 -10.199 1.040 -22.726 1.00 0.00 O ATOM 85 CB GLU A 9 -8.936 -1.239 -24.795 1.00 0.00 C ATOM 86 CG GLU A 9 -8.703 -2.644 -25.325 1.00 0.00 C ATOM 87 CD GLU A 9 -7.486 -2.734 -26.224 1.00 0.00 C ATOM 88 OE1 GLU A 9 -7.559 -2.247 -27.372 1.00 0.00 O ATOM 89 OE2 GLU A 9 -6.460 -3.291 -25.781 1.00 0.00 O ATOM 0 H GLU A 9 -11.403 -0.338 -24.866 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.870 -2.108 -23.066 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.301 -0.610 -25.607 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.984 -0.820 -24.470 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.582 -3.329 -24.486 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.584 -2.970 -25.878 1.00 0.00 H new ATOM 96 N PRO A 10 -8.545 -0.227 -21.869 1.00 0.00 N ATOM 97 CA PRO A 10 -8.082 0.788 -20.918 1.00 0.00 C ATOM 98 C PRO A 10 -7.410 1.968 -21.610 1.00 0.00 C ATOM 99 O PRO A 10 -6.457 1.794 -22.370 1.00 0.00 O ATOM 100 CB PRO A 10 -7.071 0.029 -20.054 1.00 0.00 C ATOM 101 CG PRO A 10 -6.587 -1.080 -20.923 1.00 0.00 C ATOM 102 CD PRO A 10 -7.754 -1.466 -21.790 1.00 0.00 C ATOM 0 HA PRO A 10 -8.906 1.222 -20.353 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.250 0.676 -19.744 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.535 -0.354 -19.145 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.740 -0.760 -21.529 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.249 -1.926 -20.324 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.429 -1.799 -22.776 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.328 -2.282 -21.351 1.00 0.00 H new ATOM 110 N SER A 11 -7.912 3.169 -21.343 1.00 0.00 N ATOM 111 CA SER A 11 -7.361 4.379 -21.943 1.00 0.00 C ATOM 112 C SER A 11 -5.914 4.591 -21.509 1.00 0.00 C ATOM 113 O SER A 11 -5.009 4.662 -22.339 1.00 0.00 O ATOM 114 CB SER A 11 -8.205 5.595 -21.557 1.00 0.00 C ATOM 115 OG SER A 11 -8.088 6.625 -22.523 1.00 0.00 O ATOM 0 H SER A 11 -8.699 3.331 -20.715 1.00 0.00 H new ATOM 0 HA SER A 11 -7.383 4.260 -23.026 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.250 5.300 -21.460 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.887 5.968 -20.583 1.00 0.00 H new ATOM 0 HG SER A 11 -8.638 7.390 -22.254 1.00 0.00 H new ATOM 121 N GLY A 12 -5.705 4.693 -20.200 1.00 0.00 N ATOM 122 CA GLY A 12 -4.367 4.896 -19.676 1.00 0.00 C ATOM 123 C GLY A 12 -4.169 4.246 -18.321 1.00 0.00 C ATOM 124 O GLY A 12 -4.934 3.364 -17.930 1.00 0.00 O ATOM 0 H GLY A 12 -6.438 4.639 -19.493 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.640 4.491 -20.379 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.171 5.965 -19.595 1.00 0.00 H new ATOM 128 N VAL A 13 -3.138 4.679 -17.603 1.00 0.00 N ATOM 129 CA VAL A 13 -2.841 4.133 -16.284 1.00 0.00 C ATOM 130 C VAL A 13 -3.948 4.465 -15.290 1.00 0.00 C ATOM 131 O VAL A 13 -4.245 3.678 -14.392 1.00 0.00 O ATOM 132 CB VAL A 13 -1.502 4.668 -15.744 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.312 4.261 -14.290 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.346 4.173 -16.600 1.00 0.00 C ATOM 0 H VAL A 13 -2.494 5.407 -17.913 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.772 3.051 -16.397 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.520 5.757 -15.793 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.360 4.648 -13.925 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.124 4.669 -13.689 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.315 3.174 -14.213 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.592 4.561 -16.204 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.323 3.083 -16.586 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.478 4.520 -17.625 1.00 0.00 H new ATOM 144 N GLU A 14 -4.554 5.637 -15.457 1.00 0.00 N ATOM 145 CA GLU A 14 -5.628 6.073 -14.573 1.00 0.00 C ATOM 146 C GLU A 14 -6.819 5.123 -14.654 1.00 0.00 C ATOM 147 O GLU A 14 -7.322 4.653 -13.634 1.00 0.00 O ATOM 148 CB GLU A 14 -6.069 7.493 -14.933 1.00 0.00 C ATOM 149 CG GLU A 14 -4.967 8.529 -14.787 1.00 0.00 C ATOM 150 CD GLU A 14 -4.054 8.583 -15.996 1.00 0.00 C ATOM 151 OE1 GLU A 14 -4.528 8.277 -17.111 1.00 0.00 O ATOM 152 OE2 GLU A 14 -2.866 8.930 -15.829 1.00 0.00 O ATOM 0 H GLU A 14 -4.319 6.300 -16.196 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.249 6.066 -13.551 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.431 7.502 -15.961 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.908 7.776 -14.297 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.415 9.510 -14.630 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.376 8.303 -13.900 1.00 0.00 H new ATOM 159 N GLY A 15 -7.266 4.846 -15.875 1.00 0.00 N ATOM 160 CA GLY A 15 -8.395 3.954 -16.067 1.00 0.00 C ATOM 161 C GLY A 15 -8.414 2.818 -15.064 1.00 0.00 C ATOM 162 O GLY A 15 -9.440 2.546 -14.443 1.00 0.00 O ATOM 0 H GLY A 15 -6.867 5.223 -16.735 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.321 4.523 -15.985 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.362 3.543 -17.076 1.00 0.00 H new ATOM 166 N ALA A 16 -7.275 2.151 -14.907 1.00 0.00 N ATOM 167 CA ALA A 16 -7.164 1.038 -13.972 1.00 0.00 C ATOM 168 C ALA A 16 -7.900 1.339 -12.670 1.00 0.00 C ATOM 169 O ALA A 16 -8.718 0.543 -12.210 1.00 0.00 O ATOM 170 CB ALA A 16 -5.702 0.725 -13.694 1.00 0.00 C ATOM 0 H ALA A 16 -6.416 2.362 -15.415 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.630 0.165 -14.429 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.635 -0.108 -12.994 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.204 0.457 -14.626 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.218 1.601 -13.262 1.00 0.00 H new ATOM 176 N ALA A 17 -7.602 2.492 -12.081 1.00 0.00 N ATOM 177 CA ALA A 17 -8.235 2.899 -10.833 1.00 0.00 C ATOM 178 C ALA A 17 -9.708 2.504 -10.811 1.00 0.00 C ATOM 179 O ALA A 17 -10.237 2.098 -9.776 1.00 0.00 O ATOM 180 CB ALA A 17 -8.086 4.399 -10.630 1.00 0.00 C ATOM 0 H ALA A 17 -6.926 3.161 -12.448 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.734 2.382 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.564 4.689 -9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.028 4.658 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.560 4.927 -11.458 1.00 0.00 H new ATOM 186 N PHE A 18 -10.366 2.625 -11.960 1.00 0.00 N ATOM 187 CA PHE A 18 -11.778 2.282 -12.071 1.00 0.00 C ATOM 188 C PHE A 18 -12.119 1.086 -11.188 1.00 0.00 C ATOM 189 O PHE A 18 -13.172 1.052 -10.550 1.00 0.00 O ATOM 190 CB PHE A 18 -12.137 1.974 -13.527 1.00 0.00 C ATOM 191 CG PHE A 18 -13.392 1.163 -13.676 1.00 0.00 C ATOM 192 CD1 PHE A 18 -13.363 -0.215 -13.540 1.00 0.00 C ATOM 193 CD2 PHE A 18 -14.602 1.780 -13.953 1.00 0.00 C ATOM 194 CE1 PHE A 18 -14.516 -0.965 -13.677 1.00 0.00 C ATOM 195 CE2 PHE A 18 -15.759 1.036 -14.091 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.715 -0.338 -13.954 1.00 0.00 C ATOM 0 H PHE A 18 -9.943 2.958 -12.827 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.361 3.138 -11.733 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.253 2.912 -14.070 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.310 1.437 -13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.428 -0.710 -13.324 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.641 2.854 -14.062 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.479 -2.039 -13.568 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -16.696 1.528 -14.306 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.617 -0.921 -14.063 1.00 0.00 H new ATOM 206 N GLN A 19 -11.222 0.106 -11.156 1.00 0.00 N ATOM 207 CA GLN A 19 -11.428 -1.092 -10.352 1.00 0.00 C ATOM 208 C GLN A 19 -11.177 -0.807 -8.875 1.00 0.00 C ATOM 209 O GLN A 19 -11.920 -1.269 -8.009 1.00 0.00 O ATOM 210 CB GLN A 19 -10.508 -2.217 -10.830 1.00 0.00 C ATOM 211 CG GLN A 19 -9.043 -1.989 -10.493 1.00 0.00 C ATOM 212 CD GLN A 19 -8.686 -2.455 -9.095 1.00 0.00 C ATOM 213 OE1 GLN A 19 -9.200 -3.465 -8.615 1.00 0.00 O ATOM 214 NE2 GLN A 19 -7.799 -1.720 -8.434 1.00 0.00 N ATOM 0 H GLN A 19 -10.346 0.118 -11.678 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.465 -1.405 -10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.833 -3.156 -10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.611 -2.326 -11.910 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.421 -2.516 -11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.813 -0.928 -10.588 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.398 -0.890 -8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.519 -1.986 -7.490 1.00 0.00 H new ATOM 223 N SER A 20 -10.126 -0.043 -8.595 1.00 0.00 N ATOM 224 CA SER A 20 -9.774 0.300 -7.222 1.00 0.00 C ATOM 225 C SER A 20 -10.903 1.077 -6.551 1.00 0.00 C ATOM 226 O SER A 20 -10.998 1.119 -5.324 1.00 0.00 O ATOM 227 CB SER A 20 -8.486 1.124 -7.194 1.00 0.00 C ATOM 228 OG SER A 20 -8.622 2.310 -7.958 1.00 0.00 O ATOM 0 H SER A 20 -9.503 0.350 -9.301 1.00 0.00 H new ATOM 0 HA SER A 20 -9.615 -0.627 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.236 1.378 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.661 0.528 -7.585 1.00 0.00 H new ATOM 0 HG SER A 20 -9.517 2.342 -8.356 1.00 0.00 H new ATOM 234 N ARG A 21 -11.756 1.691 -7.365 1.00 0.00 N ATOM 235 CA ARG A 21 -12.878 2.467 -6.851 1.00 0.00 C ATOM 236 C ARG A 21 -12.387 3.619 -5.978 1.00 0.00 C ATOM 237 O ARG A 21 -12.950 3.891 -4.917 1.00 0.00 O ATOM 238 CB ARG A 21 -13.821 1.571 -6.048 1.00 0.00 C ATOM 239 CG ARG A 21 -14.612 0.596 -6.905 1.00 0.00 C ATOM 240 CD ARG A 21 -15.699 1.305 -7.697 1.00 0.00 C ATOM 241 NE ARG A 21 -16.936 1.436 -6.933 1.00 0.00 N ATOM 242 CZ ARG A 21 -18.054 1.958 -7.426 1.00 0.00 C ATOM 243 NH1 ARG A 21 -18.089 2.395 -8.677 1.00 0.00 N ATOM 244 NH2 ARG A 21 -19.139 2.043 -6.668 1.00 0.00 N ATOM 0 H ARG A 21 -11.691 1.666 -8.383 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.420 2.882 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.240 1.010 -5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.516 2.198 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.938 0.082 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.062 -0.166 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.347 2.294 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.897 0.752 -8.615 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.942 1.109 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.257 2.331 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.948 2.795 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.116 1.707 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.996 2.444 -7.048 1.00 0.00 H new ATOM 258 N LEU A 22 -11.334 4.291 -6.431 1.00 0.00 N ATOM 259 CA LEU A 22 -10.767 5.413 -5.691 1.00 0.00 C ATOM 260 C LEU A 22 -10.133 6.425 -6.639 1.00 0.00 C ATOM 261 O LEU A 22 -9.702 6.093 -7.744 1.00 0.00 O ATOM 262 CB LEU A 22 -9.724 4.913 -4.689 1.00 0.00 C ATOM 263 CG LEU A 22 -8.598 4.055 -5.264 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.511 4.933 -5.865 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.019 3.145 -4.190 1.00 0.00 C ATOM 0 H LEU A 22 -10.856 4.078 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.575 5.906 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.279 5.778 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.236 4.336 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.011 3.431 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.718 4.304 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.935 5.541 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.100 5.583 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.218 2.541 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.622 3.751 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.802 2.491 -3.807 1.00 0.00 H new ATOM 277 N PRO A 23 -10.072 7.691 -6.199 1.00 0.00 N ATOM 278 CA PRO A 23 -9.490 8.778 -6.993 1.00 0.00 C ATOM 279 C PRO A 23 -7.977 8.649 -7.129 1.00 0.00 C ATOM 280 O PRO A 23 -7.276 8.375 -6.154 1.00 0.00 O ATOM 281 CB PRO A 23 -9.850 10.032 -6.193 1.00 0.00 C ATOM 282 CG PRO A 23 -10.017 9.554 -4.792 1.00 0.00 C ATOM 283 CD PRO A 23 -10.567 8.159 -4.893 1.00 0.00 C ATOM 0 HA PRO A 23 -9.868 8.785 -8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.065 10.785 -6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.766 10.490 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.065 9.561 -4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.696 10.202 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.212 7.527 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.656 8.152 -4.850 1.00 0.00 H new ATOM 291 N HIS A 24 -7.478 8.848 -8.345 1.00 0.00 N ATOM 292 CA HIS A 24 -6.046 8.756 -8.609 1.00 0.00 C ATOM 293 C HIS A 24 -5.366 10.104 -8.394 1.00 0.00 C ATOM 294 O HIS A 24 -4.140 10.207 -8.445 1.00 0.00 O ATOM 295 CB HIS A 24 -5.800 8.269 -10.037 1.00 0.00 C ATOM 296 CG HIS A 24 -6.238 9.243 -11.086 1.00 0.00 C ATOM 297 ND1 HIS A 24 -7.557 9.413 -11.452 1.00 0.00 N ATOM 298 CD2 HIS A 24 -5.524 10.104 -11.849 1.00 0.00 C ATOM 299 CE1 HIS A 24 -7.635 10.335 -12.395 1.00 0.00 C ATOM 300 NE2 HIS A 24 -6.415 10.771 -12.653 1.00 0.00 N ATOM 0 H HIS A 24 -8.044 9.074 -9.163 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.618 8.038 -7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -4.737 8.064 -10.164 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.326 7.326 -10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.453 10.241 -11.829 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.542 10.674 -12.873 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.174 11.487 -13.338 1.00 0.00 H new ATOM 309 N ASP A 25 -6.169 11.135 -8.155 1.00 0.00 N ATOM 310 CA ASP A 25 -5.644 12.478 -7.933 1.00 0.00 C ATOM 311 C ASP A 25 -5.433 12.738 -6.444 1.00 0.00 C ATOM 312 O ASP A 25 -4.585 13.544 -6.060 1.00 0.00 O ATOM 313 CB ASP A 25 -6.596 13.523 -8.516 1.00 0.00 C ATOM 314 CG ASP A 25 -7.877 13.651 -7.716 1.00 0.00 C ATOM 315 OD1 ASP A 25 -8.710 12.723 -7.777 1.00 0.00 O ATOM 316 OD2 ASP A 25 -8.046 14.679 -7.028 1.00 0.00 O ATOM 0 H ASP A 25 -7.186 11.067 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.681 12.554 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.094 14.490 -8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.839 13.255 -9.544 1.00 0.00 H new ATOM 321 N ARG A 26 -6.210 12.053 -5.612 1.00 0.00 N ATOM 322 CA ARG A 26 -6.109 12.212 -4.167 1.00 0.00 C ATOM 323 C ARG A 26 -6.133 10.856 -3.467 1.00 0.00 C ATOM 324 O ARG A 26 -6.310 9.820 -4.107 1.00 0.00 O ATOM 325 CB ARG A 26 -7.253 13.086 -3.648 1.00 0.00 C ATOM 326 CG ARG A 26 -8.619 12.427 -3.754 1.00 0.00 C ATOM 327 CD ARG A 26 -9.735 13.460 -3.780 1.00 0.00 C ATOM 328 NE ARG A 26 -10.119 13.884 -2.437 1.00 0.00 N ATOM 329 CZ ARG A 26 -11.117 14.726 -2.189 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.827 15.230 -3.189 1.00 0.00 N ATOM 331 NH2 ARG A 26 -11.406 15.064 -0.939 1.00 0.00 N ATOM 0 H ARG A 26 -6.917 11.382 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.159 12.699 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.061 13.340 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.266 14.022 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.662 11.820 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.765 11.753 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.413 14.328 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.603 13.043 -4.291 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.593 13.514 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.608 14.972 -4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.592 15.876 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.862 14.678 -0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.172 15.710 -0.750 1.00 0.00 H new ATOM 345 N MET A 27 -5.953 10.872 -2.151 1.00 0.00 N ATOM 346 CA MET A 27 -5.954 9.644 -1.365 1.00 0.00 C ATOM 347 C MET A 27 -7.254 9.503 -0.578 1.00 0.00 C ATOM 348 O MET A 27 -7.942 10.490 -0.313 1.00 0.00 O ATOM 349 CB MET A 27 -4.761 9.624 -0.408 1.00 0.00 C ATOM 350 CG MET A 27 -3.425 9.850 -1.097 1.00 0.00 C ATOM 351 SD MET A 27 -2.148 10.431 0.035 1.00 0.00 S ATOM 352 CE MET A 27 -1.926 8.983 1.066 1.00 0.00 C ATOM 0 H MET A 27 -5.805 11.721 -1.606 1.00 0.00 H new ATOM 0 HA MET A 27 -5.873 8.802 -2.053 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.903 10.392 0.352 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.736 8.665 0.109 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.098 8.919 -1.560 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.553 10.578 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.488 9.279 2.019 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.892 8.510 1.242 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.262 8.278 0.565 1.00 0.00 H new ATOM 362 N THR A 28 -7.586 8.270 -0.208 1.00 0.00 N ATOM 363 CA THR A 28 -8.803 8.000 0.547 1.00 0.00 C ATOM 364 C THR A 28 -8.502 7.816 2.029 1.00 0.00 C ATOM 365 O THR A 28 -7.392 7.439 2.405 1.00 0.00 O ATOM 366 CB THR A 28 -9.523 6.744 0.021 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.669 5.602 0.146 1.00 0.00 O ATOM 368 CG2 THR A 28 -9.931 6.923 -1.434 1.00 0.00 C ATOM 0 H THR A 28 -7.029 7.442 -0.419 1.00 0.00 H new ATOM 0 HA THR A 28 -9.454 8.865 0.417 1.00 0.00 H new ATOM 0 HB THR A 28 -10.423 6.591 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.211 5.442 -0.705 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.438 6.023 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.605 7.776 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.043 7.099 -2.042 1.00 0.00 H new ATOM 376 N SER A 29 -9.497 8.084 2.869 1.00 0.00 N ATOM 377 CA SER A 29 -9.337 7.951 4.312 1.00 0.00 C ATOM 378 C SER A 29 -8.404 6.792 4.650 1.00 0.00 C ATOM 379 O SER A 29 -7.577 6.892 5.556 1.00 0.00 O ATOM 380 CB SER A 29 -10.696 7.737 4.980 1.00 0.00 C ATOM 381 OG SER A 29 -11.374 8.968 5.163 1.00 0.00 O ATOM 0 H SER A 29 -10.423 8.395 2.575 1.00 0.00 H new ATOM 0 HA SER A 29 -8.896 8.873 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.304 7.071 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.558 7.248 5.944 1.00 0.00 H new ATOM 0 HG SER A 29 -12.241 8.804 5.590 1.00 0.00 H new ATOM 387 N GLN A 30 -8.543 5.694 3.915 1.00 0.00 N ATOM 388 CA GLN A 30 -7.714 4.516 4.137 1.00 0.00 C ATOM 389 C GLN A 30 -6.254 4.808 3.806 1.00 0.00 C ATOM 390 O GLN A 30 -5.398 4.816 4.690 1.00 0.00 O ATOM 391 CB GLN A 30 -8.216 3.345 3.290 1.00 0.00 C ATOM 392 CG GLN A 30 -9.250 2.483 3.996 1.00 0.00 C ATOM 393 CD GLN A 30 -9.599 1.232 3.214 1.00 0.00 C ATOM 394 OE1 GLN A 30 -10.771 0.946 2.969 1.00 0.00 O ATOM 395 NE2 GLN A 30 -8.580 0.479 2.817 1.00 0.00 N ATOM 0 H GLN A 30 -9.222 5.596 3.160 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.783 4.248 5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.648 3.733 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.368 2.722 3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.871 2.199 4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.155 3.069 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.624 0.754 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.753 -0.375 2.287 1.00 0.00 H new ATOM 404 N GLU A 31 -5.978 5.047 2.528 1.00 0.00 N ATOM 405 CA GLU A 31 -4.620 5.339 2.082 1.00 0.00 C ATOM 406 C GLU A 31 -3.981 6.416 2.953 1.00 0.00 C ATOM 407 O GLU A 31 -2.797 6.343 3.280 1.00 0.00 O ATOM 408 CB GLU A 31 -4.626 5.787 0.619 1.00 0.00 C ATOM 409 CG GLU A 31 -4.897 4.659 -0.362 1.00 0.00 C ATOM 410 CD GLU A 31 -6.085 3.808 0.041 1.00 0.00 C ATOM 411 OE1 GLU A 31 -5.983 3.093 1.060 1.00 0.00 O ATOM 412 OE2 GLU A 31 -7.116 3.856 -0.661 1.00 0.00 O ATOM 0 H GLU A 31 -6.675 5.044 1.784 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.031 4.427 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.382 6.561 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.663 6.239 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.075 5.079 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.012 4.028 -0.438 1.00 0.00 H new ATOM 419 N ALA A 32 -4.774 7.416 3.325 1.00 0.00 N ATOM 420 CA ALA A 32 -4.286 8.508 4.158 1.00 0.00 C ATOM 421 C ALA A 32 -3.838 7.998 5.524 1.00 0.00 C ATOM 422 O ALA A 32 -2.810 8.425 6.049 1.00 0.00 O ATOM 423 CB ALA A 32 -5.363 9.571 4.318 1.00 0.00 C ATOM 0 H ALA A 32 -5.757 7.492 3.063 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.422 8.952 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.985 10.381 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.634 9.964 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.242 9.130 4.788 1.00 0.00 H new ATOM 429 N ALA A 33 -4.615 7.083 6.093 1.00 0.00 N ATOM 430 CA ALA A 33 -4.297 6.514 7.397 1.00 0.00 C ATOM 431 C ALA A 33 -3.077 5.602 7.315 1.00 0.00 C ATOM 432 O ALA A 33 -2.204 5.637 8.183 1.00 0.00 O ATOM 433 CB ALA A 33 -5.493 5.751 7.946 1.00 0.00 C ATOM 0 H ALA A 33 -5.470 6.720 5.671 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.061 7.333 8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.241 5.332 8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.340 6.429 8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.756 4.945 7.261 1.00 0.00 H new ATOM 439 N CYS A 34 -3.023 4.787 6.267 1.00 0.00 N ATOM 440 CA CYS A 34 -1.910 3.864 6.073 1.00 0.00 C ATOM 441 C CYS A 34 -0.628 4.621 5.740 1.00 0.00 C ATOM 442 O CYS A 34 0.458 4.247 6.181 1.00 0.00 O ATOM 443 CB CYS A 34 -2.234 2.870 4.958 1.00 0.00 C ATOM 444 SG CYS A 34 -1.446 1.255 5.157 1.00 0.00 S ATOM 0 H CYS A 34 -3.736 4.747 5.539 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.756 3.317 7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.314 2.732 4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.926 3.298 4.004 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.782 0.483 4.166 1.00 0.00 H new ATOM 450 N PHE A 35 -0.763 5.686 4.957 1.00 0.00 N ATOM 451 CA PHE A 35 0.385 6.494 4.562 1.00 0.00 C ATOM 452 C PHE A 35 0.219 7.938 5.025 1.00 0.00 C ATOM 453 O PHE A 35 -0.227 8.809 4.277 1.00 0.00 O ATOM 454 CB PHE A 35 0.567 6.451 3.043 1.00 0.00 C ATOM 455 CG PHE A 35 0.639 5.058 2.487 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.509 4.294 2.347 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.853 4.513 2.103 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.445 3.011 1.836 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.923 3.231 1.591 1.00 0.00 C ATOM 460 CZ PHE A 35 0.772 2.479 1.457 1.00 0.00 C ATOM 0 H PHE A 35 -1.655 6.010 4.584 1.00 0.00 H new ATOM 0 HA PHE A 35 1.272 6.078 5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.261 6.980 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.479 6.987 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.464 4.705 2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.756 5.097 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.346 2.425 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.876 2.818 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.824 1.477 1.057 1.00 0.00 H new ATOM 470 N PRO A 36 0.584 8.200 6.289 1.00 0.00 N ATOM 471 CA PRO A 36 0.485 9.537 6.881 1.00 0.00 C ATOM 472 C PRO A 36 1.494 10.512 6.284 1.00 0.00 C ATOM 473 O PRO A 36 1.190 11.687 6.079 1.00 0.00 O ATOM 474 CB PRO A 36 0.789 9.293 8.361 1.00 0.00 C ATOM 475 CG PRO A 36 1.617 8.054 8.378 1.00 0.00 C ATOM 476 CD PRO A 36 1.123 7.210 7.236 1.00 0.00 C ATOM 0 HA PRO A 36 -0.489 9.991 6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.326 10.134 8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.127 9.165 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.675 8.290 8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.512 7.527 9.327 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.928 6.625 6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.357 6.505 7.559 1.00 0.00 H new ATOM 484 N ASP A 37 2.695 10.017 6.006 1.00 0.00 N ATOM 485 CA ASP A 37 3.749 10.844 5.430 1.00 0.00 C ATOM 486 C ASP A 37 3.370 11.309 4.028 1.00 0.00 C ATOM 487 O ASP A 37 3.776 12.385 3.589 1.00 0.00 O ATOM 488 CB ASP A 37 5.067 10.071 5.386 1.00 0.00 C ATOM 489 CG ASP A 37 5.370 9.366 6.694 1.00 0.00 C ATOM 490 OD1 ASP A 37 5.012 9.913 7.758 1.00 0.00 O ATOM 491 OD2 ASP A 37 5.965 8.269 6.653 1.00 0.00 O ATOM 0 H ASP A 37 2.963 9.047 6.170 1.00 0.00 H new ATOM 0 HA ASP A 37 3.874 11.723 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.027 9.336 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.880 10.758 5.150 1.00 0.00 H new ATOM 496 N ILE A 38 2.590 10.490 3.329 1.00 0.00 N ATOM 497 CA ILE A 38 2.157 10.818 1.977 1.00 0.00 C ATOM 498 C ILE A 38 1.043 11.859 1.993 1.00 0.00 C ATOM 499 O ILE A 38 1.133 12.889 1.324 1.00 0.00 O ATOM 500 CB ILE A 38 1.663 9.567 1.225 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.745 8.485 1.227 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.268 9.927 -0.199 1.00 0.00 C ATOM 503 CD1 ILE A 38 3.945 8.828 0.372 1.00 0.00 C ATOM 0 H ILE A 38 2.246 9.595 3.677 1.00 0.00 H new ATOM 0 HA ILE A 38 3.025 11.226 1.459 1.00 0.00 H new ATOM 0 HB ILE A 38 0.784 9.176 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.076 8.315 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.312 7.549 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.921 9.033 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.469 10.668 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.131 10.339 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.671 8.016 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.627 8.969 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.403 9.747 0.739 1.00 0.00 H new ATOM 515 N ILE A 39 -0.005 11.585 2.763 1.00 0.00 N ATOM 516 CA ILE A 39 -1.135 12.500 2.869 1.00 0.00 C ATOM 517 C ILE A 39 -0.716 13.818 3.512 1.00 0.00 C ATOM 518 O ILE A 39 -1.268 14.874 3.202 1.00 0.00 O ATOM 519 CB ILE A 39 -2.283 11.883 3.690 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.476 12.840 3.736 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.809 11.551 5.097 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.248 12.906 2.436 1.00 0.00 C ATOM 0 H ILE A 39 -0.095 10.737 3.322 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.485 12.689 1.854 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.600 10.959 3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.150 12.529 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.121 13.839 3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.631 11.116 5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.987 10.838 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.469 12.461 5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.079 13.603 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.588 13.246 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.634 11.916 2.191 1.00 0.00 H new ATOM 534 N SER A 40 0.264 13.749 4.407 1.00 0.00 N ATOM 535 CA SER A 40 0.756 14.937 5.095 1.00 0.00 C ATOM 536 C SER A 40 2.045 15.441 4.454 1.00 0.00 C ATOM 537 O SER A 40 2.876 16.066 5.112 1.00 0.00 O ATOM 538 CB SER A 40 0.994 14.632 6.575 1.00 0.00 C ATOM 539 OG SER A 40 -0.174 14.109 7.183 1.00 0.00 O ATOM 0 H SER A 40 0.733 12.883 4.673 1.00 0.00 H new ATOM 0 HA SER A 40 -0.001 15.717 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.811 13.917 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.301 15.541 7.092 1.00 0.00 H new ATOM 0 HG SER A 40 0.005 13.921 8.128 1.00 0.00 H new ATOM 545 N GLY A 41 2.204 15.164 3.163 1.00 0.00 N ATOM 546 CA GLY A 41 3.394 15.597 2.453 1.00 0.00 C ATOM 547 C GLY A 41 3.078 16.557 1.323 1.00 0.00 C ATOM 548 O GLY A 41 1.927 16.938 1.107 1.00 0.00 O ATOM 0 H GLY A 41 1.531 14.648 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.077 16.078 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.911 14.725 2.051 1.00 0.00 H new ATOM 552 N PRO A 42 4.117 16.964 0.580 1.00 0.00 N ATOM 553 CA PRO A 42 3.970 17.892 -0.546 1.00 0.00 C ATOM 554 C PRO A 42 3.247 17.258 -1.729 1.00 0.00 C ATOM 555 O PRO A 42 3.412 16.069 -2.004 1.00 0.00 O ATOM 556 CB PRO A 42 5.416 18.227 -0.920 1.00 0.00 C ATOM 557 CG PRO A 42 6.210 17.055 -0.455 1.00 0.00 C ATOM 558 CD PRO A 42 5.516 16.550 0.780 1.00 0.00 C ATOM 0 HA PRO A 42 3.371 18.763 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.522 18.376 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.747 19.146 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.252 16.282 -1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.238 17.342 -0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.605 15.468 0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.939 16.986 1.685 1.00 0.00 H new ATOM 566 N GLN A 43 2.446 18.058 -2.425 1.00 0.00 N ATOM 567 CA GLN A 43 1.698 17.573 -3.579 1.00 0.00 C ATOM 568 C GLN A 43 2.517 16.562 -4.373 1.00 0.00 C ATOM 569 O GLN A 43 2.017 15.500 -4.745 1.00 0.00 O ATOM 570 CB GLN A 43 1.296 18.742 -4.480 1.00 0.00 C ATOM 571 CG GLN A 43 0.178 18.404 -5.453 1.00 0.00 C ATOM 572 CD GLN A 43 -1.069 17.895 -4.755 1.00 0.00 C ATOM 573 OE1 GLN A 43 -1.238 18.078 -3.549 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.950 17.252 -5.512 1.00 0.00 N ATOM 0 H GLN A 43 2.298 19.044 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 43 0.798 17.078 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.983 19.579 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.169 19.073 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.072 19.291 -6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.530 17.649 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.769 17.123 -6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.808 16.887 -5.098 1.00 0.00 H new ATOM 583 N GLN A 44 3.777 16.899 -4.630 1.00 0.00 N ATOM 584 CA GLN A 44 4.664 16.019 -5.381 1.00 0.00 C ATOM 585 C GLN A 44 4.668 14.614 -4.789 1.00 0.00 C ATOM 586 O GLN A 44 4.367 13.637 -5.477 1.00 0.00 O ATOM 587 CB GLN A 44 6.086 16.584 -5.393 1.00 0.00 C ATOM 588 CG GLN A 44 7.055 15.773 -6.238 1.00 0.00 C ATOM 589 CD GLN A 44 8.499 16.182 -6.024 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.780 17.245 -5.470 1.00 0.00 O ATOM 591 NE2 GLN A 44 9.425 15.338 -6.463 1.00 0.00 N ATOM 0 H GLN A 44 4.206 17.774 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 44 4.294 15.960 -6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.058 17.607 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.459 16.629 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.942 14.715 -6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.800 15.892 -7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.148 14.468 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.414 15.560 -6.347 1.00 0.00 H new ATOM 600 N THR A 45 5.010 14.517 -3.508 1.00 0.00 N ATOM 601 CA THR A 45 5.054 13.231 -2.823 1.00 0.00 C ATOM 602 C THR A 45 3.761 12.452 -3.033 1.00 0.00 C ATOM 603 O THR A 45 3.785 11.292 -3.443 1.00 0.00 O ATOM 604 CB THR A 45 5.294 13.408 -1.312 1.00 0.00 C ATOM 605 OG1 THR A 45 6.584 13.987 -1.085 1.00 0.00 O ATOM 606 CG2 THR A 45 5.199 12.072 -0.590 1.00 0.00 C ATOM 0 H THR A 45 5.261 15.314 -2.924 1.00 0.00 H new ATOM 0 HA THR A 45 5.885 12.672 -3.252 1.00 0.00 H new ATOM 0 HB THR A 45 4.524 14.072 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.795 13.951 -0.129 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.372 12.221 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.207 11.647 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.950 11.389 -0.987 1.00 0.00 H new ATOM 614 N GLN A 46 2.634 13.098 -2.750 1.00 0.00 N ATOM 615 CA GLN A 46 1.331 12.463 -2.909 1.00 0.00 C ATOM 616 C GLN A 46 1.192 11.842 -4.294 1.00 0.00 C ATOM 617 O GLN A 46 0.750 10.701 -4.434 1.00 0.00 O ATOM 618 CB GLN A 46 0.213 13.482 -2.680 1.00 0.00 C ATOM 619 CG GLN A 46 0.065 13.908 -1.228 1.00 0.00 C ATOM 620 CD GLN A 46 -1.047 14.918 -1.026 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.460 15.599 -1.965 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.538 15.021 0.204 1.00 0.00 N ATOM 0 H GLN A 46 2.597 14.059 -2.410 1.00 0.00 H new ATOM 0 HA GLN A 46 1.249 11.670 -2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.406 14.364 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.730 13.057 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.132 13.029 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.006 14.335 -0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.166 14.437 0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.287 15.685 0.400 1.00 0.00 H new ATOM 631 N LYS A 47 1.573 12.599 -5.318 1.00 0.00 N ATOM 632 CA LYS A 47 1.493 12.124 -6.694 1.00 0.00 C ATOM 633 C LYS A 47 2.389 10.907 -6.902 1.00 0.00 C ATOM 634 O LYS A 47 1.969 9.906 -7.483 1.00 0.00 O ATOM 635 CB LYS A 47 1.894 13.237 -7.664 1.00 0.00 C ATOM 636 CG LYS A 47 1.017 14.473 -7.567 1.00 0.00 C ATOM 637 CD LYS A 47 1.737 15.710 -8.079 1.00 0.00 C ATOM 638 CE LYS A 47 1.732 15.767 -9.599 1.00 0.00 C ATOM 639 NZ LYS A 47 2.508 16.930 -10.113 1.00 0.00 N ATOM 0 H LYS A 47 1.941 13.545 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 47 0.462 11.832 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.929 13.520 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.853 12.852 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.104 14.318 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.718 14.628 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.258 16.603 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.765 15.710 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.153 14.844 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.704 15.829 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.480 16.934 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.091 17.812 -9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.495 16.858 -9.793 1.00 0.00 H new ATOM 653 N VAL A 48 3.626 10.999 -6.422 1.00 0.00 N ATOM 654 CA VAL A 48 4.580 9.904 -6.554 1.00 0.00 C ATOM 655 C VAL A 48 3.977 8.589 -6.075 1.00 0.00 C ATOM 656 O VAL A 48 4.164 7.544 -6.699 1.00 0.00 O ATOM 657 CB VAL A 48 5.869 10.185 -5.759 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.824 9.006 -5.856 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.532 11.462 -6.253 1.00 0.00 C ATOM 0 H VAL A 48 3.990 11.820 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 48 4.825 9.823 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 48 5.606 10.322 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.729 9.223 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.345 8.115 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.084 8.833 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.441 11.645 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.783 11.357 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.847 12.300 -6.125 1.00 0.00 H new ATOM 669 N PHE A 49 3.251 8.647 -4.963 1.00 0.00 N ATOM 670 CA PHE A 49 2.620 7.460 -4.399 1.00 0.00 C ATOM 671 C PHE A 49 1.317 7.140 -5.125 1.00 0.00 C ATOM 672 O PHE A 49 0.994 5.975 -5.361 1.00 0.00 O ATOM 673 CB PHE A 49 2.350 7.660 -2.906 1.00 0.00 C ATOM 674 CG PHE A 49 1.149 6.908 -2.408 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.132 7.340 -2.714 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.301 5.769 -1.634 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.239 6.650 -2.257 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.197 5.074 -1.175 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.074 5.516 -1.486 1.00 0.00 C ATOM 0 H PHE A 49 3.085 9.504 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 49 3.303 6.620 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.227 7.344 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.210 8.723 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.267 8.226 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.293 5.420 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.232 6.997 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.329 4.186 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.937 4.976 -1.127 1.00 0.00 H new ATOM 689 N LEU A 50 0.571 8.182 -5.475 1.00 0.00 N ATOM 690 CA LEU A 50 -0.698 8.013 -6.174 1.00 0.00 C ATOM 691 C LEU A 50 -0.480 7.424 -7.564 1.00 0.00 C ATOM 692 O LEU A 50 -1.422 6.961 -8.209 1.00 0.00 O ATOM 693 CB LEU A 50 -1.424 9.355 -6.285 1.00 0.00 C ATOM 694 CG LEU A 50 -2.235 9.782 -5.061 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.710 11.219 -5.211 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.418 8.847 -4.852 1.00 0.00 C ATOM 0 H LEU A 50 0.823 9.152 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.312 7.321 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.685 10.129 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.094 9.313 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.591 9.723 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.285 11.506 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.848 11.878 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.338 11.304 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.984 9.166 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.063 8.874 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.056 7.830 -4.699 1.00 0.00 H new ATOM 708 N PHE A 51 0.768 7.442 -8.020 1.00 0.00 N ATOM 709 CA PHE A 51 1.110 6.909 -9.334 1.00 0.00 C ATOM 710 C PHE A 51 1.557 5.454 -9.230 1.00 0.00 C ATOM 711 O PHE A 51 1.327 4.656 -10.140 1.00 0.00 O ATOM 712 CB PHE A 51 2.215 7.749 -9.977 1.00 0.00 C ATOM 713 CG PHE A 51 2.733 7.174 -11.264 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.638 6.125 -11.256 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.315 7.684 -12.483 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.116 5.593 -12.439 1.00 0.00 C ATOM 717 CE2 PHE A 51 2.789 7.156 -13.669 1.00 0.00 C ATOM 718 CZ PHE A 51 3.692 6.110 -13.647 1.00 0.00 C ATOM 0 H PHE A 51 1.559 7.820 -7.499 1.00 0.00 H new ATOM 0 HA PHE A 51 0.219 6.954 -9.960 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.835 8.753 -10.164 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.042 7.847 -9.273 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.974 5.718 -10.314 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.611 8.503 -12.506 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.820 4.774 -12.418 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.454 7.561 -14.613 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.065 5.698 -14.573 1.00 0.00 H new ATOM 728 N ILE A 52 2.197 5.116 -8.116 1.00 0.00 N ATOM 729 CA ILE A 52 2.676 3.757 -7.892 1.00 0.00 C ATOM 730 C ILE A 52 1.516 2.770 -7.825 1.00 0.00 C ATOM 731 O ILE A 52 1.601 1.660 -8.350 1.00 0.00 O ATOM 732 CB ILE A 52 3.498 3.656 -6.594 1.00 0.00 C ATOM 733 CG1 ILE A 52 4.795 4.457 -6.722 1.00 0.00 C ATOM 734 CG2 ILE A 52 3.797 2.201 -6.268 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.290 5.021 -5.409 1.00 0.00 C ATOM 0 H ILE A 52 2.396 5.764 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 52 3.316 3.505 -8.737 1.00 0.00 H new ATOM 0 HB ILE A 52 2.912 4.078 -5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.568 3.816 -7.147 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.639 5.276 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.379 2.146 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.861 1.657 -6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.366 1.755 -7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.213 5.576 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.536 5.688 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.479 4.206 -4.711 1.00 0.00 H new ATOM 747 N ARG A 53 0.432 3.182 -7.176 1.00 0.00 N ATOM 748 CA ARG A 53 -0.746 2.334 -7.040 1.00 0.00 C ATOM 749 C ARG A 53 -1.367 2.043 -8.403 1.00 0.00 C ATOM 750 O ARG A 53 -1.852 0.941 -8.653 1.00 0.00 O ATOM 751 CB ARG A 53 -1.779 3.001 -6.130 1.00 0.00 C ATOM 752 CG ARG A 53 -2.064 4.450 -6.491 1.00 0.00 C ATOM 753 CD ARG A 53 -3.490 4.842 -6.136 1.00 0.00 C ATOM 754 NE ARG A 53 -3.607 5.283 -4.749 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.515 6.157 -4.330 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.381 6.681 -5.187 1.00 0.00 N ATOM 757 NH2 ARG A 53 -4.559 6.509 -3.051 1.00 0.00 N ATOM 0 H ARG A 53 0.345 4.098 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.433 1.390 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.709 2.435 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.427 2.955 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.365 5.101 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.899 4.600 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.822 5.640 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.152 3.992 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.956 4.899 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.351 6.413 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.077 7.352 -4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.895 6.108 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.257 7.180 -2.731 1.00 0.00 H new ATOM 771 N ASN A 54 -1.347 3.041 -9.282 1.00 0.00 N ATOM 772 CA ASN A 54 -1.908 2.892 -10.619 1.00 0.00 C ATOM 773 C ASN A 54 -1.041 1.974 -11.475 1.00 0.00 C ATOM 774 O ASN A 54 -1.537 1.028 -12.087 1.00 0.00 O ATOM 775 CB ASN A 54 -2.043 4.259 -11.293 1.00 0.00 C ATOM 776 CG ASN A 54 -2.766 5.266 -10.420 1.00 0.00 C ATOM 777 OD1 ASN A 54 -3.464 4.897 -9.475 1.00 0.00 O ATOM 778 ND2 ASN A 54 -2.602 6.546 -10.733 1.00 0.00 N ATOM 0 H ASN A 54 -0.948 3.960 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.896 2.442 -10.523 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.051 4.640 -11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.581 4.145 -12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.064 7.269 -10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.014 6.806 -11.525 1.00 0.00 H new ATOM 785 N ARG A 55 0.256 2.259 -11.511 1.00 0.00 N ATOM 786 CA ARG A 55 1.193 1.460 -12.292 1.00 0.00 C ATOM 787 C ARG A 55 1.170 0.002 -11.842 1.00 0.00 C ATOM 788 O ARG A 55 1.184 -0.914 -12.665 1.00 0.00 O ATOM 789 CB ARG A 55 2.609 2.023 -12.161 1.00 0.00 C ATOM 790 CG ARG A 55 3.600 1.412 -13.138 1.00 0.00 C ATOM 791 CD ARG A 55 3.384 1.933 -14.550 1.00 0.00 C ATOM 792 NE ARG A 55 3.909 1.016 -15.558 1.00 0.00 N ATOM 793 CZ ARG A 55 4.228 1.386 -16.794 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.076 2.648 -17.171 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.700 0.493 -17.654 1.00 0.00 N ATOM 0 H ARG A 55 0.682 3.037 -11.008 1.00 0.00 H new ATOM 0 HA ARG A 55 0.887 1.505 -13.337 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.578 3.102 -12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.964 1.856 -11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.616 1.639 -12.817 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.498 0.327 -13.130 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.319 2.087 -14.720 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.868 2.904 -14.656 1.00 0.00 H new ATOM 0 HE ARG A 55 4.038 0.038 -15.299 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.714 3.337 -16.512 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.321 2.930 -18.120 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.818 -0.479 -17.367 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.945 0.778 -18.602 1.00 0.00 H new ATOM 809 N THR A 56 1.135 -0.206 -10.529 1.00 0.00 N ATOM 810 CA THR A 56 1.112 -1.552 -9.969 1.00 0.00 C ATOM 811 C THR A 56 -0.139 -2.306 -10.404 1.00 0.00 C ATOM 812 O THR A 56 -0.079 -3.494 -10.727 1.00 0.00 O ATOM 813 CB THR A 56 1.170 -1.521 -8.430 1.00 0.00 C ATOM 814 OG1 THR A 56 2.389 -0.904 -7.999 1.00 0.00 O ATOM 815 CG2 THR A 56 1.077 -2.926 -7.857 1.00 0.00 C ATOM 0 H THR A 56 1.122 0.540 -9.834 1.00 0.00 H new ATOM 0 HA THR A 56 1.994 -2.068 -10.348 1.00 0.00 H new ATOM 0 HB THR A 56 0.321 -0.941 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.251 0.062 -7.904 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.120 -2.879 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.136 -3.382 -8.163 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.908 -3.526 -8.227 1.00 0.00 H new ATOM 823 N LEU A 57 -1.271 -1.611 -10.411 1.00 0.00 N ATOM 824 CA LEU A 57 -2.538 -2.217 -10.808 1.00 0.00 C ATOM 825 C LEU A 57 -2.574 -2.469 -12.311 1.00 0.00 C ATOM 826 O LEU A 57 -3.022 -3.523 -12.762 1.00 0.00 O ATOM 827 CB LEU A 57 -3.705 -1.315 -10.402 1.00 0.00 C ATOM 828 CG LEU A 57 -4.216 -1.481 -8.971 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.036 -0.271 -8.553 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.040 -2.755 -8.843 1.00 0.00 C ATOM 0 H LEU A 57 -1.338 -0.628 -10.147 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.631 -3.175 -10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.401 -0.277 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.534 -1.498 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.356 -1.559 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.391 -0.407 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.416 0.624 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.889 -0.161 -9.222 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.396 -2.857 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.893 -2.706 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.422 -3.615 -9.100 1.00 0.00 H new ATOM 842 N GLN A 58 -2.097 -1.497 -13.081 1.00 0.00 N ATOM 843 CA GLN A 58 -2.073 -1.615 -14.534 1.00 0.00 C ATOM 844 C GLN A 58 -1.378 -2.903 -14.964 1.00 0.00 C ATOM 845 O GLN A 58 -1.990 -3.774 -15.584 1.00 0.00 O ATOM 846 CB GLN A 58 -1.366 -0.408 -15.154 1.00 0.00 C ATOM 847 CG GLN A 58 -2.272 0.798 -15.340 1.00 0.00 C ATOM 848 CD GLN A 58 -3.171 0.672 -16.554 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.396 0.649 -16.435 1.00 0.00 O ATOM 850 NE2 GLN A 58 -2.565 0.589 -17.733 1.00 0.00 N ATOM 0 H GLN A 58 -1.722 -0.619 -12.723 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.104 -1.644 -14.888 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.525 -0.126 -14.521 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.955 -0.696 -16.122 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.887 0.926 -14.449 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.661 1.695 -15.437 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.547 0.612 -17.786 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.118 0.502 -18.586 1.00 0.00 H new ATOM 859 N LEU A 59 -0.097 -3.017 -14.632 1.00 0.00 N ATOM 860 CA LEU A 59 0.682 -4.199 -14.984 1.00 0.00 C ATOM 861 C LEU A 59 -0.057 -5.475 -14.594 1.00 0.00 C ATOM 862 O LEU A 59 0.125 -6.523 -15.213 1.00 0.00 O ATOM 863 CB LEU A 59 2.048 -4.157 -14.296 1.00 0.00 C ATOM 864 CG LEU A 59 2.901 -2.918 -14.573 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.883 -2.682 -13.436 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.638 -3.063 -15.896 1.00 0.00 C ATOM 0 H LEU A 59 0.424 -2.306 -14.120 1.00 0.00 H new ATOM 0 HA LEU A 59 0.826 -4.200 -16.065 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.893 -4.234 -13.220 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.613 -5.038 -14.600 1.00 0.00 H new ATOM 0 HG LEU A 59 2.241 -2.053 -14.641 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.482 -1.797 -13.650 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.334 -2.533 -12.506 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.538 -3.547 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.240 -2.172 -16.077 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.287 -3.938 -15.857 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.916 -3.183 -16.704 1.00 0.00 H new ATOM 878 N TRP A 60 -0.892 -5.377 -13.566 1.00 0.00 N ATOM 879 CA TRP A 60 -1.661 -6.524 -13.095 1.00 0.00 C ATOM 880 C TRP A 60 -2.889 -6.752 -13.969 1.00 0.00 C ATOM 881 O TRP A 60 -3.272 -7.892 -14.234 1.00 0.00 O ATOM 882 CB TRP A 60 -2.087 -6.315 -11.640 1.00 0.00 C ATOM 883 CG TRP A 60 -3.366 -7.014 -11.290 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.617 -6.466 -11.260 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.518 -8.388 -10.919 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.537 -7.418 -10.892 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.889 -8.605 -10.678 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.631 -9.457 -10.769 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.390 -9.846 -10.295 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -3.129 -10.688 -10.388 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.498 -10.875 -10.155 1.00 0.00 C ATOM 0 H TRP A 60 -1.054 -4.516 -13.043 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.025 -7.407 -13.157 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.295 -6.671 -10.982 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.201 -5.247 -11.452 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.849 -5.437 -11.491 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.541 -7.265 -10.794 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.574 -9.323 -10.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.445 -9.992 -10.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.452 -11.520 -10.268 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.856 -11.850 -9.859 1.00 0.00 H new ATOM 902 N LEU A 61 -3.503 -5.662 -14.416 1.00 0.00 N ATOM 903 CA LEU A 61 -4.688 -5.743 -15.262 1.00 0.00 C ATOM 904 C LEU A 61 -4.312 -6.118 -16.692 1.00 0.00 C ATOM 905 O LEU A 61 -5.116 -6.694 -17.425 1.00 0.00 O ATOM 906 CB LEU A 61 -5.439 -4.411 -15.252 1.00 0.00 C ATOM 907 CG LEU A 61 -6.457 -4.222 -14.126 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.975 -2.792 -14.110 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.607 -5.206 -14.277 1.00 0.00 C ATOM 0 H LEU A 61 -3.199 -4.711 -14.206 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.337 -6.521 -14.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.708 -3.605 -15.192 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.957 -4.302 -16.205 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.960 -4.417 -13.176 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.698 -2.676 -13.303 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.143 -2.105 -13.953 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.456 -2.568 -15.062 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.322 -5.057 -13.468 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.103 -5.042 -15.234 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.222 -6.225 -14.238 1.00 0.00 H new ATOM 921 N ASP A 62 -3.085 -5.788 -17.081 1.00 0.00 N ATOM 922 CA ASP A 62 -2.601 -6.093 -18.422 1.00 0.00 C ATOM 923 C ASP A 62 -1.990 -7.490 -18.475 1.00 0.00 C ATOM 924 O ASP A 62 -2.028 -8.155 -19.509 1.00 0.00 O ATOM 925 CB ASP A 62 -1.568 -5.054 -18.862 1.00 0.00 C ATOM 926 CG ASP A 62 -1.325 -5.077 -20.359 1.00 0.00 C ATOM 927 OD1 ASP A 62 -2.253 -4.723 -21.116 1.00 0.00 O ATOM 928 OD2 ASP A 62 -0.208 -5.451 -20.773 1.00 0.00 O ATOM 0 H ASP A 62 -2.408 -5.310 -16.487 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.450 -6.062 -19.104 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.907 -4.061 -18.567 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.628 -5.237 -18.341 1.00 0.00 H new ATOM 933 N ASN A 63 -1.427 -7.927 -17.354 1.00 0.00 N ATOM 934 CA ASN A 63 -0.807 -9.244 -17.273 1.00 0.00 C ATOM 935 C ASN A 63 -1.249 -9.977 -16.010 1.00 0.00 C ATOM 936 O ASN A 63 -0.432 -10.462 -15.226 1.00 0.00 O ATOM 937 CB ASN A 63 0.718 -9.115 -17.294 1.00 0.00 C ATOM 938 CG ASN A 63 1.390 -10.312 -17.937 1.00 0.00 C ATOM 939 OD1 ASN A 63 2.053 -10.187 -18.967 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.222 -11.482 -17.331 1.00 0.00 N ATOM 0 H ASN A 63 -1.387 -7.388 -16.489 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.128 -9.823 -18.139 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.996 -8.211 -17.836 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.084 -9.001 -16.274 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.651 -12.323 -17.718 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.664 -11.540 -16.479 1.00 0.00 H new ATOM 947 N PRO A 64 -2.572 -10.062 -15.807 1.00 0.00 N ATOM 948 CA PRO A 64 -3.153 -10.735 -14.642 1.00 0.00 C ATOM 949 C PRO A 64 -2.965 -12.247 -14.693 1.00 0.00 C ATOM 950 O PRO A 64 -3.349 -12.963 -13.767 1.00 0.00 O ATOM 951 CB PRO A 64 -4.638 -10.377 -14.729 1.00 0.00 C ATOM 952 CG PRO A 64 -4.878 -10.105 -16.174 1.00 0.00 C ATOM 953 CD PRO A 64 -3.603 -9.506 -16.700 1.00 0.00 C ATOM 0 HA PRO A 64 -2.679 -10.421 -13.712 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.264 -11.194 -14.371 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.872 -9.505 -14.118 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.127 -11.022 -16.708 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.715 -9.420 -16.308 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.427 -9.784 -17.739 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.624 -8.417 -16.660 1.00 0.00 H new ATOM 961 N LYS A 65 -2.372 -12.729 -15.780 1.00 0.00 N ATOM 962 CA LYS A 65 -2.132 -14.157 -15.952 1.00 0.00 C ATOM 963 C LYS A 65 -1.030 -14.640 -15.015 1.00 0.00 C ATOM 964 O LYS A 65 -0.777 -15.840 -14.906 1.00 0.00 O ATOM 965 CB LYS A 65 -1.750 -14.459 -17.403 1.00 0.00 C ATOM 966 CG LYS A 65 -0.565 -13.650 -17.902 1.00 0.00 C ATOM 967 CD LYS A 65 0.269 -14.439 -18.897 1.00 0.00 C ATOM 968 CE LYS A 65 -0.201 -14.208 -20.325 1.00 0.00 C ATOM 969 NZ LYS A 65 0.179 -15.333 -21.224 1.00 0.00 N ATOM 0 H LYS A 65 -2.049 -12.151 -16.556 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.052 -14.687 -15.706 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.519 -15.520 -17.496 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.609 -14.262 -18.044 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.921 -12.733 -18.371 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.057 -13.355 -17.057 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.316 -14.150 -18.806 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.210 -15.501 -18.661 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.284 -14.085 -20.335 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.229 -13.280 -20.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.160 -15.137 -22.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.214 -15.435 -21.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.252 -16.214 -20.878 1.00 0.00 H new ATOM 983 N ILE A 66 -0.380 -13.699 -14.339 1.00 0.00 N ATOM 984 CA ILE A 66 0.693 -14.030 -13.409 1.00 0.00 C ATOM 985 C ILE A 66 0.662 -13.117 -12.188 1.00 0.00 C ATOM 986 O ILE A 66 0.216 -11.973 -12.267 1.00 0.00 O ATOM 987 CB ILE A 66 2.074 -13.923 -14.081 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.426 -12.457 -14.342 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.095 -14.717 -15.378 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.773 -12.268 -15.004 1.00 0.00 C ATOM 0 H ILE A 66 -0.577 -12.701 -14.418 1.00 0.00 H new ATOM 0 HA ILE A 66 0.531 -15.061 -13.094 1.00 0.00 H new ATOM 0 HB ILE A 66 2.822 -14.343 -13.409 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.655 -12.013 -14.972 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.416 -11.915 -13.396 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.078 -14.631 -15.841 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.884 -15.765 -15.166 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.338 -14.324 -16.057 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.956 -11.205 -15.159 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.553 -12.682 -14.365 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.781 -12.781 -15.966 1.00 0.00 H new ATOM 1002 N GLN A 67 1.141 -13.632 -11.059 1.00 0.00 N ATOM 1003 CA GLN A 67 1.169 -12.862 -9.821 1.00 0.00 C ATOM 1004 C GLN A 67 2.148 -11.697 -9.927 1.00 0.00 C ATOM 1005 O GLN A 67 3.173 -11.793 -10.602 1.00 0.00 O ATOM 1006 CB GLN A 67 1.554 -13.762 -8.645 1.00 0.00 C ATOM 1007 CG GLN A 67 3.046 -14.033 -8.550 1.00 0.00 C ATOM 1008 CD GLN A 67 3.623 -14.582 -9.839 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.255 -15.670 -10.284 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.533 -13.831 -10.448 1.00 0.00 N ATOM 0 H GLN A 67 1.514 -14.578 -10.977 1.00 0.00 H new ATOM 0 HA GLN A 67 0.171 -12.459 -9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.218 -13.298 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.026 -14.711 -8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.563 -13.110 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.232 -14.741 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.809 -12.936 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.956 -14.149 -11.320 1.00 0.00 H new ATOM 1019 N LEU A 68 1.824 -10.597 -9.256 1.00 0.00 N ATOM 1020 CA LEU A 68 2.675 -9.412 -9.274 1.00 0.00 C ATOM 1021 C LEU A 68 3.414 -9.252 -7.949 1.00 0.00 C ATOM 1022 O LEU A 68 2.830 -8.839 -6.946 1.00 0.00 O ATOM 1023 CB LEU A 68 1.838 -8.164 -9.559 1.00 0.00 C ATOM 1024 CG LEU A 68 2.616 -6.914 -9.974 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.226 -7.100 -11.355 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.713 -5.690 -9.947 1.00 0.00 C ATOM 0 H LEU A 68 0.979 -10.501 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 68 3.413 -9.536 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.124 -8.402 -10.348 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.259 -7.928 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 68 3.425 -6.758 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.776 -6.201 -11.634 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.906 -7.952 -11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.434 -7.281 -12.081 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.283 -4.810 -10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.883 -5.835 -10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.325 -5.546 -8.939 1.00 0.00 H new ATOM 1038 N THR A 69 4.703 -9.578 -7.952 1.00 0.00 N ATOM 1039 CA THR A 69 5.522 -9.469 -6.752 1.00 0.00 C ATOM 1040 C THR A 69 6.025 -8.044 -6.557 1.00 0.00 C ATOM 1041 O THR A 69 5.843 -7.187 -7.422 1.00 0.00 O ATOM 1042 CB THR A 69 6.729 -10.425 -6.807 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.635 -10.010 -7.835 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.276 -11.854 -7.068 1.00 0.00 C ATOM 0 H THR A 69 5.202 -9.920 -8.773 1.00 0.00 H new ATOM 0 HA THR A 69 4.887 -9.745 -5.910 1.00 0.00 H new ATOM 0 HB THR A 69 7.235 -10.392 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.400 -10.621 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.145 -12.511 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.609 -12.176 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.748 -11.900 -8.021 1.00 0.00 H new ATOM 1052 N PHE A 70 6.659 -7.796 -5.416 1.00 0.00 N ATOM 1053 CA PHE A 70 7.189 -6.473 -5.107 1.00 0.00 C ATOM 1054 C PHE A 70 8.331 -6.110 -6.052 1.00 0.00 C ATOM 1055 O PHE A 70 8.443 -4.969 -6.497 1.00 0.00 O ATOM 1056 CB PHE A 70 7.675 -6.420 -3.657 1.00 0.00 C ATOM 1057 CG PHE A 70 8.723 -5.372 -3.414 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.362 -4.060 -3.155 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.069 -5.699 -3.444 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.324 -3.093 -2.931 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.036 -4.737 -3.221 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.663 -3.432 -2.963 1.00 0.00 C ATOM 0 H PHE A 70 6.818 -8.494 -4.690 1.00 0.00 H new ATOM 0 HA PHE A 70 6.386 -5.748 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.824 -6.229 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.077 -7.395 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.317 -3.789 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.366 -6.718 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.029 -2.073 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.082 -5.005 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.416 -2.679 -2.787 1.00 0.00 H new ATOM 1072 N GLU A 71 9.177 -7.091 -6.352 1.00 0.00 N ATOM 1073 CA GLU A 71 10.311 -6.875 -7.243 1.00 0.00 C ATOM 1074 C GLU A 71 9.843 -6.383 -8.609 1.00 0.00 C ATOM 1075 O GLU A 71 10.135 -5.256 -9.008 1.00 0.00 O ATOM 1076 CB GLU A 71 11.116 -8.167 -7.402 1.00 0.00 C ATOM 1077 CG GLU A 71 12.095 -8.417 -6.267 1.00 0.00 C ATOM 1078 CD GLU A 71 13.352 -7.577 -6.384 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.750 -7.263 -7.525 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.937 -7.235 -5.335 1.00 0.00 O ATOM 0 H GLU A 71 9.099 -8.042 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 71 10.949 -6.110 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.427 -9.009 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.665 -8.130 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.606 -8.202 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.368 -9.472 -6.254 1.00 0.00 H new ATOM 1087 N ALA A 72 9.117 -7.237 -9.323 1.00 0.00 N ATOM 1088 CA ALA A 72 8.608 -6.889 -10.643 1.00 0.00 C ATOM 1089 C ALA A 72 8.022 -5.481 -10.653 1.00 0.00 C ATOM 1090 O ALA A 72 8.415 -4.638 -11.460 1.00 0.00 O ATOM 1091 CB ALA A 72 7.562 -7.901 -11.089 1.00 0.00 C ATOM 0 H ALA A 72 8.868 -8.175 -9.009 1.00 0.00 H new ATOM 0 HA ALA A 72 9.442 -6.912 -11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.190 -7.629 -12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.011 -8.893 -11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.735 -7.906 -10.379 1.00 0.00 H new ATOM 1097 N THR A 73 7.078 -5.232 -9.750 1.00 0.00 N ATOM 1098 CA THR A 73 6.436 -3.927 -9.656 1.00 0.00 C ATOM 1099 C THR A 73 7.470 -2.813 -9.538 1.00 0.00 C ATOM 1100 O THR A 73 7.326 -1.750 -10.145 1.00 0.00 O ATOM 1101 CB THR A 73 5.482 -3.855 -8.449 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.527 -4.920 -8.517 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.757 -2.518 -8.410 1.00 0.00 C ATOM 0 H THR A 73 6.741 -5.917 -9.074 1.00 0.00 H new ATOM 0 HA THR A 73 5.862 -3.791 -10.572 1.00 0.00 H new ATOM 0 HB THR A 73 6.074 -3.955 -7.539 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.912 -5.731 -8.124 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.089 -2.491 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.486 -1.711 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.176 -2.392 -9.324 1.00 0.00 H new ATOM 1111 N LEU A 74 8.514 -3.061 -8.755 1.00 0.00 N ATOM 1112 CA LEU A 74 9.574 -2.079 -8.558 1.00 0.00 C ATOM 1113 C LEU A 74 10.374 -1.876 -9.841 1.00 0.00 C ATOM 1114 O LEU A 74 10.496 -0.756 -10.336 1.00 0.00 O ATOM 1115 CB LEU A 74 10.505 -2.524 -7.428 1.00 0.00 C ATOM 1116 CG LEU A 74 11.855 -1.809 -7.350 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.698 -0.443 -6.699 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.862 -2.654 -6.585 1.00 0.00 C ATOM 0 H LEU A 74 8.649 -3.934 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 74 9.111 -1.130 -8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.986 -2.383 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.688 -3.593 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 74 12.228 -1.665 -8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.668 0.051 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.010 0.164 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.303 -0.564 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.817 -2.130 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.496 -2.830 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.996 -3.609 -7.093 1.00 0.00 H new ATOM 1130 N GLN A 75 10.914 -2.967 -10.374 1.00 0.00 N ATOM 1131 CA GLN A 75 11.700 -2.908 -11.601 1.00 0.00 C ATOM 1132 C GLN A 75 10.949 -2.153 -12.693 1.00 0.00 C ATOM 1133 O GLN A 75 11.484 -1.224 -13.297 1.00 0.00 O ATOM 1134 CB GLN A 75 12.041 -4.319 -12.081 1.00 0.00 C ATOM 1135 CG GLN A 75 12.968 -5.075 -11.142 1.00 0.00 C ATOM 1136 CD GLN A 75 13.802 -6.117 -11.860 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.479 -7.305 -11.846 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.884 -5.677 -12.493 1.00 0.00 N ATOM 0 H GLN A 75 10.822 -3.902 -9.976 1.00 0.00 H new ATOM 0 HA GLN A 75 12.624 -2.372 -11.385 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.118 -4.886 -12.201 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.506 -4.256 -13.065 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.629 -4.367 -10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.376 -5.560 -10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.114 -4.683 -12.479 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.484 -6.333 -12.993 1.00 0.00 H new ATOM 1147 N GLN A 76 9.709 -2.560 -12.940 1.00 0.00 N ATOM 1148 CA GLN A 76 8.885 -1.923 -13.961 1.00 0.00 C ATOM 1149 C GLN A 76 8.710 -0.436 -13.669 1.00 0.00 C ATOM 1150 O GLN A 76 8.736 0.394 -14.579 1.00 0.00 O ATOM 1151 CB GLN A 76 7.518 -2.604 -14.042 1.00 0.00 C ATOM 1152 CG GLN A 76 7.582 -4.041 -14.532 1.00 0.00 C ATOM 1153 CD GLN A 76 6.444 -4.890 -14.000 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.770 -5.589 -14.757 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.224 -4.834 -12.692 1.00 0.00 N ATOM 0 H GLN A 76 9.252 -3.328 -12.448 1.00 0.00 H new ATOM 0 HA GLN A 76 9.392 -2.029 -14.920 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.053 -2.586 -13.056 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.874 -2.030 -14.709 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.559 -4.051 -15.622 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.532 -4.482 -14.229 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.807 -4.241 -12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.472 -5.384 -12.277 1.00 0.00 H new ATOM 1164 N LEU A 77 8.531 -0.106 -12.395 1.00 0.00 N ATOM 1165 CA LEU A 77 8.351 1.281 -11.982 1.00 0.00 C ATOM 1166 C LEU A 77 9.521 2.144 -12.445 1.00 0.00 C ATOM 1167 O LEU A 77 10.575 1.629 -12.815 1.00 0.00 O ATOM 1168 CB LEU A 77 8.211 1.367 -10.461 1.00 0.00 C ATOM 1169 CG LEU A 77 6.782 1.348 -9.916 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.779 0.995 -8.437 1.00 0.00 C ATOM 1171 CD2 LEU A 77 6.106 2.692 -10.147 1.00 0.00 C ATOM 0 H LEU A 77 8.507 -0.780 -11.630 1.00 0.00 H new ATOM 0 HA LEU A 77 7.440 1.657 -12.447 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.758 0.535 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.695 2.283 -10.123 1.00 0.00 H new ATOM 0 HG LEU A 77 6.219 0.583 -10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.754 0.986 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.223 0.010 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.358 1.736 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.090 2.661 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.669 3.475 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.074 2.905 -11.216 1.00 0.00 H new ATOM 1183 N GLU A 78 9.326 3.459 -12.420 1.00 0.00 N ATOM 1184 CA GLU A 78 10.366 4.392 -12.837 1.00 0.00 C ATOM 1185 C GLU A 78 10.450 5.576 -11.879 1.00 0.00 C ATOM 1186 O GLU A 78 9.468 6.285 -11.664 1.00 0.00 O ATOM 1187 CB GLU A 78 10.095 4.890 -14.258 1.00 0.00 C ATOM 1188 CG GLU A 78 8.749 5.579 -14.416 1.00 0.00 C ATOM 1189 CD GLU A 78 8.539 6.137 -15.810 1.00 0.00 C ATOM 1190 OE1 GLU A 78 9.543 6.462 -16.477 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.369 6.247 -16.234 1.00 0.00 O ATOM 0 H GLU A 78 8.459 3.901 -12.116 1.00 0.00 H new ATOM 0 HA GLU A 78 11.320 3.865 -12.820 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.885 5.583 -14.548 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.144 4.046 -14.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.953 4.870 -14.189 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.672 6.388 -13.690 1.00 0.00 H new ATOM 1198 N ALA A 79 11.631 5.783 -11.305 1.00 0.00 N ATOM 1199 CA ALA A 79 11.845 6.881 -10.371 1.00 0.00 C ATOM 1200 C ALA A 79 11.159 8.154 -10.854 1.00 0.00 C ATOM 1201 O ALA A 79 10.881 8.326 -12.041 1.00 0.00 O ATOM 1202 CB ALA A 79 13.334 7.123 -10.174 1.00 0.00 C ATOM 0 H ALA A 79 12.454 5.204 -11.471 1.00 0.00 H new ATOM 0 HA ALA A 79 11.404 6.603 -9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.479 7.946 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.800 6.221 -9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.791 7.375 -11.131 1.00 0.00 H new ATOM 1208 N PRO A 80 10.877 9.068 -9.913 1.00 0.00 N ATOM 1209 CA PRO A 80 11.202 8.873 -8.497 1.00 0.00 C ATOM 1210 C PRO A 80 10.341 7.796 -7.847 1.00 0.00 C ATOM 1211 O PRO A 80 10.490 7.500 -6.662 1.00 0.00 O ATOM 1212 CB PRO A 80 10.909 10.241 -7.875 1.00 0.00 C ATOM 1213 CG PRO A 80 9.898 10.859 -8.778 1.00 0.00 C ATOM 1214 CD PRO A 80 10.219 10.362 -10.160 1.00 0.00 C ATOM 0 HA PRO A 80 12.229 8.537 -8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.524 10.140 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.811 10.850 -7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.887 10.574 -8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.948 11.947 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.319 10.246 -10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.875 11.051 -10.693 1.00 0.00 H new ATOM 1222 N TYR A 81 9.440 7.214 -8.631 1.00 0.00 N ATOM 1223 CA TYR A 81 8.553 6.170 -8.130 1.00 0.00 C ATOM 1224 C TYR A 81 9.352 5.017 -7.530 1.00 0.00 C ATOM 1225 O TYR A 81 9.137 4.630 -6.383 1.00 0.00 O ATOM 1226 CB TYR A 81 7.655 5.652 -9.255 1.00 0.00 C ATOM 1227 CG TYR A 81 7.033 6.751 -10.088 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.680 7.967 -9.516 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.798 6.572 -11.445 1.00 0.00 C ATOM 1230 CE1 TYR A 81 6.111 8.973 -10.273 1.00 0.00 C ATOM 1231 CE2 TYR A 81 6.231 7.573 -12.210 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.889 8.772 -11.619 1.00 0.00 C ATOM 1233 OH TYR A 81 5.323 9.771 -12.377 1.00 0.00 O ATOM 0 H TYR A 81 9.305 7.447 -9.615 1.00 0.00 H new ATOM 0 HA TYR A 81 7.931 6.603 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.240 5.002 -9.905 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.862 5.041 -8.824 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.853 8.128 -8.462 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.063 5.634 -11.910 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.841 9.912 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.056 7.418 -13.264 1.00 0.00 H new ATOM 0 HH TYR A 81 5.236 9.468 -13.305 1.00 0.00 H new ATOM 1243 N ASN A 82 10.275 4.474 -8.317 1.00 0.00 N ATOM 1244 CA ASN A 82 11.108 3.365 -7.865 1.00 0.00 C ATOM 1245 C ASN A 82 12.242 3.864 -6.975 1.00 0.00 C ATOM 1246 O ASN A 82 12.782 3.115 -6.161 1.00 0.00 O ATOM 1247 CB ASN A 82 11.681 2.608 -9.065 1.00 0.00 C ATOM 1248 CG ASN A 82 12.695 3.430 -9.836 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.407 4.255 -9.263 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.765 3.208 -11.143 1.00 0.00 N ATOM 0 H ASN A 82 10.465 4.783 -9.270 1.00 0.00 H new ATOM 0 HA ASN A 82 10.484 2.688 -7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.151 1.687 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.868 2.320 -9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.429 3.731 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.155 2.514 -11.576 1.00 0.00 H new ATOM 1257 N SER A 83 12.599 5.134 -7.137 1.00 0.00 N ATOM 1258 CA SER A 83 13.672 5.733 -6.351 1.00 0.00 C ATOM 1259 C SER A 83 13.511 5.401 -4.871 1.00 0.00 C ATOM 1260 O SER A 83 14.480 5.065 -4.190 1.00 0.00 O ATOM 1261 CB SER A 83 13.690 7.250 -6.547 1.00 0.00 C ATOM 1262 OG SER A 83 14.471 7.611 -7.673 1.00 0.00 O ATOM 0 H SER A 83 12.161 5.768 -7.805 1.00 0.00 H new ATOM 0 HA SER A 83 14.619 5.318 -6.697 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.671 7.615 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.090 7.730 -5.654 1.00 0.00 H new ATOM 0 HG SER A 83 14.413 8.579 -7.815 1.00 0.00 H new ATOM 1268 N ASP A 84 12.281 5.499 -4.380 1.00 0.00 N ATOM 1269 CA ASP A 84 11.991 5.208 -2.980 1.00 0.00 C ATOM 1270 C ASP A 84 11.327 3.842 -2.835 1.00 0.00 C ATOM 1271 O ASP A 84 10.101 3.730 -2.851 1.00 0.00 O ATOM 1272 CB ASP A 84 11.089 6.292 -2.388 1.00 0.00 C ATOM 1273 CG ASP A 84 11.581 7.691 -2.706 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.484 8.177 -1.994 1.00 0.00 O ATOM 1275 OD2 ASP A 84 11.061 8.300 -3.665 1.00 0.00 O ATOM 0 H ASP A 84 11.468 5.778 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 84 12.935 5.193 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.077 6.169 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.035 6.166 -1.307 1.00 0.00 H new ATOM 1280 N THR A 85 12.146 2.804 -2.694 1.00 0.00 N ATOM 1281 CA THR A 85 11.639 1.445 -2.549 1.00 0.00 C ATOM 1282 C THR A 85 10.657 1.346 -1.387 1.00 0.00 C ATOM 1283 O THR A 85 9.545 0.841 -1.542 1.00 0.00 O ATOM 1284 CB THR A 85 12.784 0.440 -2.325 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.692 0.942 -1.337 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.534 0.176 -3.622 1.00 0.00 C ATOM 0 H THR A 85 13.163 2.879 -2.677 1.00 0.00 H new ATOM 0 HA THR A 85 11.125 1.198 -3.478 1.00 0.00 H new ATOM 0 HB THR A 85 12.351 -0.498 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.416 0.296 -1.200 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.338 -0.537 -3.439 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.847 -0.234 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.955 1.110 -3.995 1.00 0.00 H new ATOM 1294 N VAL A 86 11.075 1.832 -0.222 1.00 0.00 N ATOM 1295 CA VAL A 86 10.231 1.800 0.966 1.00 0.00 C ATOM 1296 C VAL A 86 8.768 2.035 0.608 1.00 0.00 C ATOM 1297 O VAL A 86 7.891 1.259 0.991 1.00 0.00 O ATOM 1298 CB VAL A 86 10.671 2.857 1.996 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.575 4.254 1.402 1.00 0.00 C ATOM 1300 CG2 VAL A 86 9.835 2.748 3.262 1.00 0.00 C ATOM 0 H VAL A 86 11.993 2.252 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 86 10.340 0.808 1.404 1.00 0.00 H new ATOM 0 HB VAL A 86 11.712 2.671 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.890 4.987 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.222 4.323 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.545 4.454 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.160 3.502 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.784 2.907 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.961 1.756 3.697 1.00 0.00 H new ATOM 1310 N LEU A 87 8.510 3.109 -0.130 1.00 0.00 N ATOM 1311 CA LEU A 87 7.152 3.446 -0.542 1.00 0.00 C ATOM 1312 C LEU A 87 6.554 2.340 -1.405 1.00 0.00 C ATOM 1313 O LEU A 87 5.469 1.833 -1.120 1.00 0.00 O ATOM 1314 CB LEU A 87 7.145 4.769 -1.311 1.00 0.00 C ATOM 1315 CG LEU A 87 5.784 5.450 -1.462 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.256 5.892 -0.106 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.884 6.636 -2.410 1.00 0.00 C ATOM 0 H LEU A 87 9.223 3.761 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 87 6.542 3.551 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.822 5.461 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.552 4.590 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 87 5.083 4.730 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.287 6.375 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.147 5.023 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.956 6.596 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.907 7.109 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.599 7.358 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.218 6.292 -3.389 1.00 0.00 H new ATOM 1329 N VAL A 88 7.270 1.968 -2.461 1.00 0.00 N ATOM 1330 CA VAL A 88 6.813 0.919 -3.365 1.00 0.00 C ATOM 1331 C VAL A 88 6.515 -0.369 -2.605 1.00 0.00 C ATOM 1332 O VAL A 88 5.620 -1.129 -2.977 1.00 0.00 O ATOM 1333 CB VAL A 88 7.855 0.627 -4.460 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.367 -0.480 -5.381 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.167 1.890 -5.249 1.00 0.00 C ATOM 0 H VAL A 88 8.170 2.378 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 88 5.898 1.282 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 88 8.774 0.289 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.117 -0.672 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.200 -1.388 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.434 -0.175 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.905 1.665 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.255 2.261 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.564 2.650 -4.576 1.00 0.00 H new ATOM 1345 N HIS A 89 7.271 -0.609 -1.539 1.00 0.00 N ATOM 1346 CA HIS A 89 7.088 -1.806 -0.725 1.00 0.00 C ATOM 1347 C HIS A 89 5.846 -1.681 0.152 1.00 0.00 C ATOM 1348 O HIS A 89 5.202 -2.678 0.479 1.00 0.00 O ATOM 1349 CB HIS A 89 8.320 -2.049 0.146 1.00 0.00 C ATOM 1350 CG HIS A 89 8.369 -3.422 0.745 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.455 -3.870 1.674 1.00 0.00 N ATOM 1352 CD2 HIS A 89 9.229 -4.447 0.539 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.751 -5.111 2.016 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.823 -5.485 1.341 1.00 0.00 N ATOM 0 H HIS A 89 8.016 0.009 -1.218 1.00 0.00 H new ATOM 0 HA HIS A 89 6.954 -2.655 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.216 -1.891 -0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.339 -1.311 0.948 1.00 0.00 H new ATOM 0 HD1 HIS A 89 6.672 -3.328 2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.076 -4.448 -0.131 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.209 -5.717 2.727 1.00 0.00 H new ATOM 1363 N ARG A 90 5.516 -0.451 0.531 1.00 0.00 N ATOM 1364 CA ARG A 90 4.353 -0.196 1.372 1.00 0.00 C ATOM 1365 C ARG A 90 3.072 -0.200 0.544 1.00 0.00 C ATOM 1366 O ARG A 90 2.078 -0.821 0.922 1.00 0.00 O ATOM 1367 CB ARG A 90 4.502 1.145 2.094 1.00 0.00 C ATOM 1368 CG ARG A 90 5.631 1.167 3.111 1.00 0.00 C ATOM 1369 CD ARG A 90 5.872 2.570 3.646 1.00 0.00 C ATOM 1370 NE ARG A 90 6.574 3.411 2.680 1.00 0.00 N ATOM 1371 CZ ARG A 90 6.494 4.737 2.665 1.00 0.00 C ATOM 1372 NH1 ARG A 90 5.747 5.369 3.560 1.00 0.00 N ATOM 1373 NH2 ARG A 90 7.163 5.432 1.755 1.00 0.00 N ATOM 0 H ARG A 90 6.038 0.385 0.269 1.00 0.00 H new ATOM 0 HA ARG A 90 4.290 -0.994 2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.674 1.928 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.565 1.383 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.391 0.498 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.544 0.790 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.917 3.030 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.453 2.512 4.566 1.00 0.00 H new ATOM 0 HE ARG A 90 7.158 2.955 1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.232 4.837 4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.687 6.387 3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.739 4.948 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.101 6.450 1.744 1.00 0.00 H new ATOM 1387 N VAL A 91 3.102 0.496 -0.588 1.00 0.00 N ATOM 1388 CA VAL A 91 1.944 0.572 -1.470 1.00 0.00 C ATOM 1389 C VAL A 91 1.565 -0.806 -1.999 1.00 0.00 C ATOM 1390 O VAL A 91 0.448 -1.279 -1.788 1.00 0.00 O ATOM 1391 CB VAL A 91 2.206 1.513 -2.661 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.067 1.433 -3.666 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.403 2.942 -2.177 1.00 0.00 C ATOM 0 H VAL A 91 3.916 1.016 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 91 1.120 0.970 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 91 3.121 1.194 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.270 2.105 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.979 0.411 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.135 1.726 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.587 3.593 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.507 3.275 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.256 2.982 -1.500 1.00 0.00 H new ATOM 1403 N HIS A 92 2.503 -1.448 -2.689 1.00 0.00 N ATOM 1404 CA HIS A 92 2.268 -2.774 -3.249 1.00 0.00 C ATOM 1405 C HIS A 92 1.687 -3.713 -2.195 1.00 0.00 C ATOM 1406 O HIS A 92 1.013 -4.689 -2.524 1.00 0.00 O ATOM 1407 CB HIS A 92 3.569 -3.354 -3.804 1.00 0.00 C ATOM 1408 CG HIS A 92 3.410 -4.719 -4.399 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.361 -5.870 -3.641 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.286 -5.114 -5.688 1.00 0.00 C ATOM 1411 CE1 HIS A 92 3.216 -6.914 -4.438 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.167 -6.482 -5.686 1.00 0.00 N ATOM 0 H HIS A 92 3.433 -1.071 -2.874 1.00 0.00 H new ATOM 0 HA HIS A 92 1.547 -2.677 -4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.963 -2.679 -4.564 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.308 -3.399 -3.004 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.282 -4.472 -6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.149 -7.945 -4.123 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.058 -7.069 -6.513 1.00 0.00 H new ATOM 1421 N SER A 93 1.954 -3.411 -0.929 1.00 0.00 N ATOM 1422 CA SER A 93 1.461 -4.230 0.172 1.00 0.00 C ATOM 1423 C SER A 93 -0.022 -3.971 0.422 1.00 0.00 C ATOM 1424 O SER A 93 -0.855 -4.863 0.261 1.00 0.00 O ATOM 1425 CB SER A 93 2.261 -3.946 1.445 1.00 0.00 C ATOM 1426 OG SER A 93 3.384 -4.805 1.544 1.00 0.00 O ATOM 0 H SER A 93 2.509 -2.605 -0.640 1.00 0.00 H new ATOM 0 HA SER A 93 1.588 -5.277 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.592 -2.908 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.621 -4.077 2.317 1.00 0.00 H new ATOM 0 HG SER A 93 4.185 -4.333 1.235 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.343 -2.744 0.815 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.724 -2.366 1.089 1.00 0.00 C ATOM 1434 C TYR A 94 -2.654 -2.860 -0.016 1.00 0.00 C ATOM 1435 O TYR A 94 -3.812 -3.197 0.235 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.842 -0.847 1.228 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.199 -0.307 0.838 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.598 -0.272 -0.493 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.082 0.168 1.799 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.836 0.222 -0.854 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.323 0.663 1.447 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.695 0.688 0.119 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.930 1.180 -0.237 1.00 0.00 O ATOM 0 H TYR A 94 0.335 -1.994 0.951 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.022 -2.834 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.632 -0.568 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.080 -0.374 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.929 -0.637 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.794 0.150 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.130 0.243 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.998 1.028 2.207 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.291 1.720 0.497 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.138 -2.901 -1.239 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.920 -3.354 -2.384 1.00 0.00 C ATOM 1455 C LEU A 95 -3.109 -4.867 -2.350 1.00 0.00 C ATOM 1456 O LEU A 95 -4.236 -5.360 -2.304 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.235 -2.944 -3.689 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.191 -1.444 -3.981 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.156 -1.139 -5.053 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.563 -0.942 -4.404 1.00 0.00 C ATOM 0 H LEU A 95 -1.182 -2.626 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.901 -2.882 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.212 -3.321 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.745 -3.440 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.902 -0.924 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.139 -0.067 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.172 -1.462 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.414 -1.670 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.512 0.128 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.881 -1.468 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.280 -1.125 -3.604 1.00 0.00 H new ATOM 1472 N GLU A 96 -1.999 -5.598 -2.370 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.043 -7.055 -2.339 1.00 0.00 C ATOM 1474 C GLU A 96 -2.686 -7.553 -1.048 1.00 0.00 C ATOM 1475 O GLU A 96 -3.708 -8.239 -1.075 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.633 -7.634 -2.476 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.584 -9.149 -2.372 1.00 0.00 C ATOM 1478 CD GLU A 96 0.724 -9.726 -2.876 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.788 -9.166 -2.541 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.682 -10.739 -3.606 1.00 0.00 O ATOM 0 H GLU A 96 -1.058 -5.205 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.649 -7.392 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.217 -7.331 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.004 -7.204 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.730 -9.443 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.409 -9.576 -2.943 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.080 -7.203 0.082 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.591 -7.615 1.383 1.00 0.00 C ATOM 1489 C ARG A 97 -4.106 -7.446 1.450 1.00 0.00 C ATOM 1490 O ARG A 97 -4.825 -8.358 1.860 1.00 0.00 O ATOM 1491 CB ARG A 97 -1.927 -6.802 2.496 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.425 -7.013 2.592 1.00 0.00 C ATOM 1493 CD ARG A 97 0.197 -6.121 3.654 1.00 0.00 C ATOM 1494 NE ARG A 97 1.587 -6.477 3.923 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.950 -7.441 4.762 1.00 0.00 C ATOM 1496 NH1 ARG A 97 1.029 -8.142 5.410 1.00 0.00 N ATOM 1497 NH2 ARG A 97 3.236 -7.707 4.954 1.00 0.00 N ATOM 0 H ARG A 97 -1.234 -6.635 0.122 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.354 -8.670 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.127 -5.743 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.384 -7.066 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.218 -8.057 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.035 -6.805 1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.145 -5.082 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.381 -6.197 4.575 1.00 0.00 H new ATOM 0 HE ARG A 97 2.320 -5.957 3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.040 -7.941 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.310 -8.882 6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.947 -7.171 4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.513 -8.447 5.599 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.585 -6.274 1.046 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.014 -5.985 1.060 1.00 0.00 C ATOM 1513 C HIS A 98 -6.769 -6.932 0.131 1.00 0.00 C ATOM 1514 O HIS A 98 -7.886 -7.351 0.429 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.268 -4.536 0.645 1.00 0.00 C ATOM 1516 CG HIS A 98 -5.927 -3.540 1.709 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -6.703 -2.433 1.981 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -4.886 -3.489 2.574 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.154 -1.743 2.965 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.050 -2.363 3.343 1.00 0.00 N ATOM 0 H HIS A 98 -4.004 -5.509 0.705 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.379 -6.133 2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.684 -4.315 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.318 -4.423 0.376 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.077 -4.201 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.542 -0.828 3.388 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.422 -2.055 4.085 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.149 -7.266 -0.997 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.777 -8.160 -1.952 1.00 0.00 C ATOM 1531 C GLY A 99 -7.202 -7.447 -3.221 1.00 0.00 C ATOM 1532 O GLY A 99 -8.226 -7.783 -3.817 1.00 0.00 O ATOM 0 H GLY A 99 -5.223 -6.933 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.084 -8.962 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.648 -8.625 -1.491 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.415 -6.460 -3.635 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.716 -5.696 -4.841 1.00 0.00 C ATOM 1538 C LEU A 100 -5.904 -6.209 -6.026 1.00 0.00 C ATOM 1539 O LEU A 100 -6.243 -5.950 -7.181 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.426 -4.212 -4.613 1.00 0.00 C ATOM 1541 CG LEU A 100 -6.900 -3.632 -3.280 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.230 -2.155 -3.427 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.107 -4.401 -2.763 1.00 0.00 C ATOM 0 H LEU A 100 -5.564 -6.170 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.775 -5.822 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.350 -4.056 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.890 -3.644 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.092 -3.732 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.565 -1.760 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.341 -1.614 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.020 -2.031 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.431 -3.975 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.919 -4.333 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.837 -5.447 -2.618 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.832 -6.937 -5.733 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.975 -7.488 -6.774 1.00 0.00 C ATOM 1557 C ILE A 101 -3.531 -8.906 -6.429 1.00 0.00 C ATOM 1558 O ILE A 101 -3.291 -9.225 -5.265 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.728 -6.613 -6.999 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.909 -6.513 -5.711 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.133 -5.229 -7.484 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.454 -6.170 -5.944 1.00 0.00 C ATOM 0 H ILE A 101 -4.536 -7.159 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.566 -7.507 -7.690 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.109 -7.079 -7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.353 -5.755 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.969 -7.462 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.241 -4.622 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.679 -5.318 -8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.770 -4.754 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.065 -6.116 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.007 -6.940 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.384 -5.207 -6.450 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.424 -9.752 -7.448 1.00 0.00 N ATOM 1575 CA ASN A 102 -3.008 -11.136 -7.252 1.00 0.00 C ATOM 1576 C ASN A 102 -4.066 -11.918 -6.481 1.00 0.00 C ATOM 1577 O ASN A 102 -3.778 -12.520 -5.447 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.674 -11.188 -6.505 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.616 -10.313 -7.149 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.906 -9.535 -8.057 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.620 -10.437 -6.679 1.00 0.00 N ATOM 0 H ASN A 102 -3.620 -9.504 -8.418 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.886 -11.595 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.826 -10.870 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.319 -12.218 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.374 -9.874 -7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.815 -11.095 -5.925 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.293 -11.906 -6.993 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.395 -12.614 -6.353 1.00 0.00 C ATOM 1590 C PHE A 103 -7.006 -13.641 -7.302 1.00 0.00 C ATOM 1591 O PHE A 103 -8.205 -13.912 -7.252 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.468 -11.623 -5.895 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.828 -10.605 -6.939 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.254 -11.001 -8.196 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.738 -9.250 -6.663 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.586 -10.066 -9.158 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -8.069 -8.310 -7.621 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.492 -8.719 -8.870 1.00 0.00 C ATOM 0 H PHE A 103 -5.548 -11.414 -7.849 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.001 -13.139 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.364 -12.175 -5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.117 -11.107 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.328 -12.053 -8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.405 -8.925 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.918 -10.389 -10.134 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.997 -7.257 -7.393 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.749 -7.986 -9.621 1.00 0.00 H new ATOM 1608 N GLY A 104 -6.171 -14.208 -8.167 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.647 -15.198 -9.116 1.00 0.00 C ATOM 1610 C GLY A 104 -5.569 -16.189 -9.508 1.00 0.00 C ATOM 1611 O GLY A 104 -5.652 -17.371 -9.173 1.00 0.00 O ATOM 0 H GLY A 104 -5.174 -14.000 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.491 -15.736 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.015 -14.693 -10.009 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.557 -15.709 -10.222 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.459 -16.562 -10.661 1.00 0.00 C ATOM 1617 C ILE A 105 -3.146 -17.633 -9.622 1.00 0.00 C ATOM 1618 O ILE A 105 -2.772 -18.754 -9.965 1.00 0.00 O ATOM 1619 CB ILE A 105 -2.185 -15.742 -10.937 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.647 -15.142 -9.637 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.470 -14.647 -11.954 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.503 -14.023 -9.087 1.00 0.00 C ATOM 0 H ILE A 105 -4.474 -14.734 -10.509 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.781 -17.040 -11.586 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.426 -16.406 -11.350 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.569 -15.930 -8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.639 -14.766 -9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.560 -14.076 -12.139 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.812 -15.096 -12.886 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.243 -13.983 -11.567 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.061 -13.646 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.561 -13.216 -9.818 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.505 -14.399 -8.881 1.00 0.00 H new ATOM 1634 N TYR A 106 -3.303 -17.280 -8.351 1.00 0.00 N ATOM 1635 CA TYR A 106 -3.036 -18.210 -7.261 1.00 0.00 C ATOM 1636 C TYR A 106 -4.080 -18.069 -6.157 1.00 0.00 C ATOM 1637 O TYR A 106 -4.518 -16.964 -5.836 1.00 0.00 O ATOM 1638 CB TYR A 106 -1.638 -17.972 -6.689 1.00 0.00 C ATOM 1639 CG TYR A 106 -1.517 -16.687 -5.901 1.00 0.00 C ATOM 1640 CD1 TYR A 106 -2.191 -16.521 -4.698 1.00 0.00 C ATOM 1641 CD2 TYR A 106 -0.729 -15.639 -6.361 1.00 0.00 C ATOM 1642 CE1 TYR A 106 -2.084 -15.348 -3.975 1.00 0.00 C ATOM 1643 CE2 TYR A 106 -0.615 -14.463 -5.644 1.00 0.00 C ATOM 1644 CZ TYR A 106 -1.295 -14.323 -4.452 1.00 0.00 C ATOM 1645 OH TYR A 106 -1.185 -13.153 -3.736 1.00 0.00 O ATOM 0 H TYR A 106 -3.614 -16.356 -8.050 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.090 -19.223 -7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.371 -18.810 -6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.918 -17.956 -7.507 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.809 -17.322 -4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.197 -15.745 -7.295 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.615 -15.235 -3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.003 -13.658 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.404 -12.650 -4.049 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.475 -19.198 -5.578 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.466 -19.204 -4.508 1.00 0.00 C ATOM 1657 C LYS A 107 -4.825 -18.848 -3.171 1.00 0.00 C ATOM 1658 O LYS A 107 -4.286 -19.713 -2.480 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.138 -20.576 -4.415 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.468 -20.553 -3.681 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.371 -21.690 -4.130 1.00 0.00 C ATOM 1662 CE LYS A 107 -8.968 -21.418 -5.503 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.150 -20.515 -5.425 1.00 0.00 N ATOM 0 H LYS A 107 -4.124 -20.121 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.220 -18.452 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.295 -20.964 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.465 -21.268 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.294 -20.627 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.966 -19.600 -3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.802 -22.619 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.172 -21.828 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.211 -20.970 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.261 -22.361 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.528 -20.354 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.883 -20.953 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.865 -19.606 -5.008 1.00 0.00 H new ATOM 1677 N ARG A 108 -4.888 -17.570 -2.811 1.00 0.00 N ATOM 1678 CA ARG A 108 -4.313 -17.101 -1.556 1.00 0.00 C ATOM 1679 C ARG A 108 -4.471 -18.150 -0.459 1.00 0.00 C ATOM 1680 O ARG A 108 -5.497 -18.826 -0.377 1.00 0.00 O ATOM 1681 CB ARG A 108 -4.978 -15.792 -1.124 1.00 0.00 C ATOM 1682 CG ARG A 108 -4.322 -15.146 0.085 1.00 0.00 C ATOM 1683 CD ARG A 108 -3.080 -14.362 -0.307 1.00 0.00 C ATOM 1684 NE ARG A 108 -2.613 -13.499 0.775 1.00 0.00 N ATOM 1685 CZ ARG A 108 -1.882 -12.407 0.580 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -1.535 -12.047 -0.648 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -1.495 -11.673 1.616 1.00 0.00 N ATOM 0 H ARG A 108 -5.331 -16.841 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.249 -16.926 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.955 -15.090 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.027 -15.984 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.034 -14.481 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.054 -15.915 0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.287 -15.055 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.297 -13.756 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.862 -13.748 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.829 -12.609 -1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.974 -11.208 -0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.759 -11.947 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.934 -10.835 1.466 1.00 0.00 H new ATOM 1701 N ILE A 109 -3.449 -18.281 0.379 1.00 0.00 N ATOM 1702 CA ILE A 109 -3.475 -19.247 1.470 1.00 0.00 C ATOM 1703 C ILE A 109 -4.832 -19.256 2.164 1.00 0.00 C ATOM 1704 O ILE A 109 -5.386 -20.316 2.457 1.00 0.00 O ATOM 1705 CB ILE A 109 -2.380 -18.950 2.511 1.00 0.00 C ATOM 1706 CG1 ILE A 109 -0.996 -19.012 1.861 1.00 0.00 C ATOM 1707 CG2 ILE A 109 -2.471 -19.931 3.670 1.00 0.00 C ATOM 1708 CD1 ILE A 109 0.065 -18.252 2.624 1.00 0.00 C ATOM 0 H ILE A 109 -2.592 -17.730 0.324 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.289 -20.226 1.029 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.533 -17.943 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.692 -20.055 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.061 -18.612 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.690 -19.708 4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.447 -19.842 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.341 -20.947 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 109 1.020 -18.340 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -0.217 -17.201 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.158 -18.666 3.628 1.00 0.00 H new ATOM 1720 N LYS A 110 -5.365 -18.066 2.425 1.00 0.00 N ATOM 1721 CA LYS A 110 -6.660 -17.935 3.082 1.00 0.00 C ATOM 1722 C LYS A 110 -7.555 -16.956 2.329 1.00 0.00 C ATOM 1723 O LYS A 110 -7.142 -15.855 1.964 1.00 0.00 O ATOM 1724 CB LYS A 110 -6.476 -17.466 4.527 1.00 0.00 C ATOM 1725 CG LYS A 110 -7.780 -17.129 5.228 1.00 0.00 C ATOM 1726 CD LYS A 110 -7.553 -16.767 6.686 1.00 0.00 C ATOM 1727 CE LYS A 110 -7.058 -15.336 6.835 1.00 0.00 C ATOM 1728 NZ LYS A 110 -8.128 -14.346 6.533 1.00 0.00 N ATOM 0 H LYS A 110 -4.919 -17.179 2.191 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.141 -18.913 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.961 -18.245 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.831 -16.587 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.264 -16.297 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.458 -17.980 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.482 -16.891 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.826 -17.452 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.696 -15.181 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.213 -15.173 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.858 -13.416 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.255 -14.275 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.019 -14.654 6.971 1.00 0.00 H new ATOM 1742 N PRO A 111 -8.811 -17.363 2.093 1.00 0.00 N ATOM 1743 CA PRO A 111 -9.791 -16.536 1.383 1.00 0.00 C ATOM 1744 C PRO A 111 -10.233 -15.329 2.204 1.00 0.00 C ATOM 1745 O PRO A 111 -9.834 -15.170 3.358 1.00 0.00 O ATOM 1746 CB PRO A 111 -10.967 -17.490 1.161 1.00 0.00 C ATOM 1747 CG PRO A 111 -10.844 -18.501 2.248 1.00 0.00 C ATOM 1748 CD PRO A 111 -9.371 -18.663 2.500 1.00 0.00 C ATOM 0 HA PRO A 111 -9.382 -16.120 0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.920 -16.964 1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.917 -17.958 0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.360 -18.169 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.296 -19.448 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.164 -18.880 3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.951 -19.482 1.916 1.00 0.00 H new ATOM 1756 N LEU A 112 -11.059 -14.480 1.602 1.00 0.00 N ATOM 1757 CA LEU A 112 -11.556 -13.287 2.278 1.00 0.00 C ATOM 1758 C LEU A 112 -12.724 -12.674 1.512 1.00 0.00 C ATOM 1759 O LEU A 112 -12.836 -12.805 0.293 1.00 0.00 O ATOM 1760 CB LEU A 112 -10.434 -12.258 2.428 1.00 0.00 C ATOM 1761 CG LEU A 112 -10.108 -11.434 1.182 1.00 0.00 C ATOM 1762 CD1 LEU A 112 -10.985 -10.193 1.118 1.00 0.00 C ATOM 1763 CD2 LEU A 112 -8.635 -11.050 1.168 1.00 0.00 C ATOM 0 H LEU A 112 -11.399 -14.596 0.647 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.908 -13.580 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.702 -11.573 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.529 -12.779 2.741 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.313 -12.044 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.739 -9.619 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.033 -10.490 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.813 -9.580 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.420 -10.464 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.405 -10.458 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.024 -11.952 1.166 1.00 0.00 H new ATOM 1775 N PRO A 113 -13.616 -11.988 2.242 1.00 0.00 N ATOM 1776 CA PRO A 113 -14.790 -11.339 1.652 1.00 0.00 C ATOM 1777 C PRO A 113 -14.417 -10.134 0.795 1.00 0.00 C ATOM 1778 O PRO A 113 -14.006 -9.094 1.311 1.00 0.00 O ATOM 1779 CB PRO A 113 -15.601 -10.896 2.873 1.00 0.00 C ATOM 1780 CG PRO A 113 -14.596 -10.749 3.962 1.00 0.00 C ATOM 1781 CD PRO A 113 -13.545 -11.792 3.700 1.00 0.00 C ATOM 0 HA PRO A 113 -15.332 -12.007 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.120 -9.956 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.361 -11.633 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -14.162 -9.749 3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.056 -10.895 4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.557 -11.454 4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.752 -12.716 4.240 1.00 0.00 H new ATOM 1789 N THR A 114 -14.564 -10.280 -0.518 1.00 0.00 N ATOM 1790 CA THR A 114 -14.242 -9.204 -1.447 1.00 0.00 C ATOM 1791 C THR A 114 -15.353 -8.161 -1.487 1.00 0.00 C ATOM 1792 O THR A 114 -15.809 -7.765 -2.560 1.00 0.00 O ATOM 1793 CB THR A 114 -14.007 -9.742 -2.871 1.00 0.00 C ATOM 1794 OG1 THR A 114 -13.587 -8.679 -3.734 1.00 0.00 O ATOM 1795 CG2 THR A 114 -15.273 -10.380 -3.424 1.00 0.00 C ATOM 0 H THR A 114 -14.904 -11.133 -0.962 1.00 0.00 H new ATOM 0 HA THR A 114 -13.324 -8.740 -1.086 1.00 0.00 H new ATOM 0 HB THR A 114 -13.226 -10.501 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.248 -7.956 -3.708 1.00 0.00 H new ATOM 0 HG21 THR A 114 -15.083 -10.753 -4.431 1.00 0.00 H new ATOM 0 HG22 THR A 114 -15.574 -11.207 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.070 -9.637 -3.457 1.00 0.00 H new ATOM 1803 N LYS A 115 -15.786 -7.718 -0.311 1.00 0.00 N ATOM 1804 CA LYS A 115 -16.843 -6.719 -0.211 1.00 0.00 C ATOM 1805 C LYS A 115 -16.633 -5.602 -1.228 1.00 0.00 C ATOM 1806 O LYS A 115 -17.511 -5.317 -2.043 1.00 0.00 O ATOM 1807 CB LYS A 115 -16.888 -6.135 1.203 1.00 0.00 C ATOM 1808 CG LYS A 115 -18.161 -5.362 1.501 1.00 0.00 C ATOM 1809 CD LYS A 115 -17.970 -4.398 2.660 1.00 0.00 C ATOM 1810 CE LYS A 115 -17.828 -5.138 3.982 1.00 0.00 C ATOM 1811 NZ LYS A 115 -19.150 -5.404 4.613 1.00 0.00 N ATOM 0 H LYS A 115 -15.420 -8.036 0.587 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.793 -7.208 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -16.787 -6.945 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -16.031 -5.476 1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.468 -4.809 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.965 -6.060 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.083 -3.789 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.819 -3.717 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -17.308 -6.082 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -17.212 -4.550 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.011 -5.909 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.636 -4.502 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.729 -5.986 3.974 1.00 0.00 H new ATOM 1825 N LYS A 116 -15.465 -4.972 -1.176 1.00 0.00 N ATOM 1826 CA LYS A 116 -15.138 -3.887 -2.094 1.00 0.00 C ATOM 1827 C LYS A 116 -16.125 -2.733 -1.946 1.00 0.00 C ATOM 1828 O LYS A 116 -16.581 -2.161 -2.937 1.00 0.00 O ATOM 1829 CB LYS A 116 -15.142 -4.394 -3.537 1.00 0.00 C ATOM 1830 CG LYS A 116 -14.330 -3.531 -4.488 1.00 0.00 C ATOM 1831 CD LYS A 116 -12.864 -3.929 -4.487 1.00 0.00 C ATOM 1832 CE LYS A 116 -12.117 -3.309 -5.658 1.00 0.00 C ATOM 1833 NZ LYS A 116 -12.367 -4.045 -6.927 1.00 0.00 N ATOM 0 H LYS A 116 -14.728 -5.194 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.141 -3.523 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.749 -5.411 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.171 -4.443 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -14.732 -3.622 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -14.424 -2.484 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.401 -3.615 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.781 -5.015 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -12.423 -2.269 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.048 -3.304 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -12.287 -3.389 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.666 -4.807 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -13.323 -4.454 -6.908 1.00 0.00 H new ATOM 1847 N THR A 117 -16.452 -2.395 -0.703 1.00 0.00 N ATOM 1848 CA THR A 117 -17.384 -1.310 -0.426 1.00 0.00 C ATOM 1849 C THR A 117 -16.796 -0.321 0.574 1.00 0.00 C ATOM 1850 O THR A 117 -16.497 -0.678 1.713 1.00 0.00 O ATOM 1851 CB THR A 117 -18.720 -1.844 0.124 1.00 0.00 C ATOM 1852 OG1 THR A 117 -19.201 -2.908 -0.705 1.00 0.00 O ATOM 1853 CG2 THR A 117 -19.761 -0.736 0.189 1.00 0.00 C ATOM 0 H THR A 117 -16.085 -2.858 0.128 1.00 0.00 H new ATOM 0 HA THR A 117 -17.566 -0.801 -1.372 1.00 0.00 H new ATOM 0 HB THR A 117 -18.548 -2.219 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 117 -20.050 -3.243 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 117 -20.696 -1.137 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 117 -19.405 0.059 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 117 -19.929 -0.335 -0.811 1.00 0.00 H new ATOM 1861 N GLY A 118 -16.632 0.925 0.140 1.00 0.00 N ATOM 1862 CA GLY A 118 -16.080 1.947 1.010 1.00 0.00 C ATOM 1863 C GLY A 118 -15.844 3.259 0.288 1.00 0.00 C ATOM 1864 O GLY A 118 -14.750 3.820 0.348 1.00 0.00 O ATOM 0 H GLY A 118 -16.872 1.245 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -16.759 2.113 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -15.139 1.593 1.430 1.00 0.00 H new ATOM 1868 N SER A 119 -16.872 3.747 -0.399 1.00 0.00 N ATOM 1869 CA SER A 119 -16.769 4.998 -1.141 1.00 0.00 C ATOM 1870 C SER A 119 -17.708 6.052 -0.562 1.00 0.00 C ATOM 1871 O SER A 119 -18.784 5.732 -0.058 1.00 0.00 O ATOM 1872 CB SER A 119 -17.093 4.767 -2.619 1.00 0.00 C ATOM 1873 OG SER A 119 -16.581 5.816 -3.423 1.00 0.00 O ATOM 0 H SER A 119 -17.785 3.296 -0.457 1.00 0.00 H new ATOM 0 HA SER A 119 -15.745 5.361 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 119 -16.670 3.816 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 119 -18.173 4.697 -2.751 1.00 0.00 H new ATOM 0 HG SER A 119 -16.799 5.644 -4.363 1.00 0.00 H new ATOM 1879 N GLY A 120 -17.292 7.313 -0.638 1.00 0.00 N ATOM 1880 CA GLY A 120 -18.106 8.395 -0.117 1.00 0.00 C ATOM 1881 C GLY A 120 -18.236 9.546 -1.096 1.00 0.00 C ATOM 1882 O GLY A 120 -17.474 9.660 -2.056 1.00 0.00 O ATOM 0 H GLY A 120 -16.406 7.604 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -19.098 8.015 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -17.668 8.760 0.812 1.00 0.00 H new ATOM 1886 N PRO A 121 -19.222 10.422 -0.857 1.00 0.00 N ATOM 1887 CA PRO A 121 -19.473 11.584 -1.715 1.00 0.00 C ATOM 1888 C PRO A 121 -18.376 12.637 -1.600 1.00 0.00 C ATOM 1889 O PRO A 121 -18.003 13.042 -0.499 1.00 0.00 O ATOM 1890 CB PRO A 121 -20.800 12.135 -1.187 1.00 0.00 C ATOM 1891 CG PRO A 121 -20.861 11.681 0.230 1.00 0.00 C ATOM 1892 CD PRO A 121 -20.168 10.348 0.269 1.00 0.00 C ATOM 0 HA PRO A 121 -19.498 11.313 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.833 13.222 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -21.644 11.753 -1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.369 12.396 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -21.894 11.594 0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.653 10.190 1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -20.873 9.525 0.148 1.00 0.00 H new ATOM 1900 N SER A 122 -17.863 13.078 -2.745 1.00 0.00 N ATOM 1901 CA SER A 122 -16.806 14.083 -2.772 1.00 0.00 C ATOM 1902 C SER A 122 -17.393 15.486 -2.895 1.00 0.00 C ATOM 1903 O SER A 122 -18.289 15.727 -3.704 1.00 0.00 O ATOM 1904 CB SER A 122 -15.849 13.815 -3.935 1.00 0.00 C ATOM 1905 OG SER A 122 -14.843 12.888 -3.564 1.00 0.00 O ATOM 0 H SER A 122 -18.162 12.755 -3.665 1.00 0.00 H new ATOM 0 HA SER A 122 -16.254 14.020 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 122 -16.407 13.429 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 122 -15.387 14.750 -4.253 1.00 0.00 H new ATOM 0 HG SER A 122 -14.245 12.732 -4.325 1.00 0.00 H new ATOM 1911 N SER A 123 -16.881 16.407 -2.085 1.00 0.00 N ATOM 1912 CA SER A 123 -17.356 17.786 -2.099 1.00 0.00 C ATOM 1913 C SER A 123 -16.198 18.758 -2.302 1.00 0.00 C ATOM 1914 O SER A 123 -15.032 18.389 -2.164 1.00 0.00 O ATOM 1915 CB SER A 123 -18.086 18.110 -0.794 1.00 0.00 C ATOM 1916 OG SER A 123 -19.453 17.746 -0.870 1.00 0.00 O ATOM 0 H SER A 123 -16.138 16.224 -1.411 1.00 0.00 H new ATOM 0 HA SER A 123 -18.050 17.896 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 123 -17.611 17.582 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 123 -18.002 19.176 -0.581 1.00 0.00 H new ATOM 0 HG SER A 123 -19.897 17.962 -0.023 1.00 0.00 H new ATOM 1922 N GLY A 124 -16.528 20.003 -2.631 1.00 0.00 N ATOM 1923 CA GLY A 124 -15.505 21.009 -2.848 1.00 0.00 C ATOM 1924 C GLY A 124 -16.041 22.235 -3.560 1.00 0.00 C ATOM 1925 O GLY A 124 -15.827 22.407 -4.760 1.00 0.00 O ATOM 0 H GLY A 124 -17.486 20.333 -2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -15.082 21.306 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -14.694 20.578 -3.434 1.00 0.00 H new TER 1929 GLY A 124