USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 902 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 27 ASN : amide:sc= -1.71! X(o=-4!,f=-3.5) USER MOD Set 1.2: A 59 ASN : amide:sc= -2.26! C(o=-4!,f=-3.9!) 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 26:sc= 0.196 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= -2.42 (180deg=-3.55!) USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= -0.0617 (180deg=-0.565) USER MOD Single : A 16 ASN : amide:sc= -0.181 K(o=-0.18,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= 0.998 (180deg=0.9) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 110:sc= -1.34 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 40 CYS SG : rot -153:sc= -0.925 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= -0.255 (180deg=-1.1) USER MOD Single : A 53 THR OG1 : rot 72:sc= 0.545 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.361 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -4.96! C(o=-5!,f=-8.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -145:sc= -0.259 (180deg=-2.57!) USER MOD Single : A 67 SER OG : rot -40:sc= 0 USER MOD Single : A 68 THR OG1 : rot -81:sc= -1.63 USER MOD Single : A 70 ASN : amide:sc= -0.0245 K(o=-0.025,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 90:sc= 1.03 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc=-0.000786 (180deg=-0.142) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -87:sc= 0.619 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -137:sc= -0.5 USER MOD Single : A 107 LYS NZ :NH3+ -140:sc= 0.0734 (180deg=-2.28!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 80:sc= 1.22 USER MOD Single : A 115 GLN : amide:sc=-0.00334 X(o=-0.0033,f=-0.11) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.760 -28.023 1.624 1.00 0.00 N ATOM 2 CA GLY A 1 -10.739 -28.856 1.017 1.00 0.00 C ATOM 3 C GLY A 1 -9.433 -28.114 0.809 1.00 0.00 C ATOM 4 O GLY A 1 -8.802 -27.675 1.770 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.632 -28.576 1.745 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.430 -27.690 2.552 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.951 -27.205 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.562 -29.727 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.100 -29.226 0.057 1.00 0.00 H new ATOM 8 N SER A 2 -9.027 -27.976 -0.449 1.00 0.00 N ATOM 9 CA SER A 2 -7.785 -27.286 -0.779 1.00 0.00 C ATOM 10 C SER A 2 -7.977 -25.773 -0.742 1.00 0.00 C ATOM 11 O SER A 2 -7.338 -25.074 0.044 1.00 0.00 O ATOM 12 CB SER A 2 -7.291 -27.716 -2.161 1.00 0.00 C ATOM 13 OG SER A 2 -5.995 -27.204 -2.422 1.00 0.00 O ATOM 0 H SER A 2 -9.539 -28.332 -1.256 1.00 0.00 H new ATOM 0 HA SER A 2 -7.038 -27.557 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.275 -28.804 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.985 -27.364 -2.924 1.00 0.00 H new ATOM 0 HG SER A 2 -5.701 -27.494 -3.311 1.00 0.00 H new ATOM 19 N SER A 3 -8.862 -25.275 -1.600 1.00 0.00 N ATOM 20 CA SER A 3 -9.137 -23.844 -1.669 1.00 0.00 C ATOM 21 C SER A 3 -9.333 -23.260 -0.274 1.00 0.00 C ATOM 22 O SER A 3 -10.082 -23.802 0.539 1.00 0.00 O ATOM 23 CB SER A 3 -10.379 -23.583 -2.523 1.00 0.00 C ATOM 24 OG SER A 3 -11.516 -24.233 -1.982 1.00 0.00 O ATOM 0 H SER A 3 -9.400 -25.840 -2.256 1.00 0.00 H new ATOM 0 HA SER A 3 -8.278 -23.356 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.564 -22.510 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.205 -23.934 -3.540 1.00 0.00 H new ATOM 0 HG SER A 3 -11.392 -24.361 -1.018 1.00 0.00 H new ATOM 30 N GLY A 4 -8.654 -22.150 -0.003 1.00 0.00 N ATOM 31 CA GLY A 4 -8.766 -21.509 1.295 1.00 0.00 C ATOM 32 C GLY A 4 -9.403 -20.136 1.210 1.00 0.00 C ATOM 33 O GLY A 4 -10.595 -19.981 1.472 1.00 0.00 O ATOM 0 H GLY A 4 -8.028 -21.683 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.357 -22.140 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.775 -21.419 1.739 1.00 0.00 H new ATOM 37 N SER A 5 -8.605 -19.137 0.846 1.00 0.00 N ATOM 38 CA SER A 5 -9.097 -17.769 0.733 1.00 0.00 C ATOM 39 C SER A 5 -8.885 -17.230 -0.678 1.00 0.00 C ATOM 40 O SER A 5 -7.760 -16.924 -1.075 1.00 0.00 O ATOM 41 CB SER A 5 -8.392 -16.867 1.748 1.00 0.00 C ATOM 42 OG SER A 5 -8.807 -17.164 3.070 1.00 0.00 O ATOM 0 H SER A 5 -7.616 -19.249 0.624 1.00 0.00 H new ATOM 0 HA SER A 5 -10.167 -17.774 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.313 -16.995 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.607 -15.823 1.522 1.00 0.00 H new ATOM 0 HG SER A 5 -8.341 -16.575 3.699 1.00 0.00 H new ATOM 48 N SER A 6 -9.974 -17.116 -1.431 1.00 0.00 N ATOM 49 CA SER A 6 -9.908 -16.618 -2.800 1.00 0.00 C ATOM 50 C SER A 6 -9.456 -15.161 -2.826 1.00 0.00 C ATOM 51 O SER A 6 -10.261 -14.246 -2.653 1.00 0.00 O ATOM 52 CB SER A 6 -11.271 -16.753 -3.481 1.00 0.00 C ATOM 53 OG SER A 6 -11.538 -18.101 -3.825 1.00 0.00 O ATOM 0 H SER A 6 -10.913 -17.362 -1.116 1.00 0.00 H new ATOM 0 HA SER A 6 -9.178 -17.217 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.051 -16.383 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.296 -16.134 -4.378 1.00 0.00 H new ATOM 0 HG SER A 6 -12.416 -18.161 -4.257 1.00 0.00 H new ATOM 59 N GLY A 7 -8.161 -14.953 -3.045 1.00 0.00 N ATOM 60 CA GLY A 7 -7.623 -13.606 -3.090 1.00 0.00 C ATOM 61 C GLY A 7 -6.454 -13.417 -2.144 1.00 0.00 C ATOM 62 O GLY A 7 -6.563 -13.632 -0.937 1.00 0.00 O ATOM 0 H GLY A 7 -7.475 -15.693 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.304 -13.379 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.410 -12.895 -2.837 1.00 0.00 H new ATOM 66 N PRO A 8 -5.302 -13.005 -2.696 1.00 0.00 N ATOM 67 CA PRO A 8 -4.085 -12.779 -1.911 1.00 0.00 C ATOM 68 C PRO A 8 -4.199 -11.560 -1.003 1.00 0.00 C ATOM 69 O PRO A 8 -3.885 -11.627 0.186 1.00 0.00 O ATOM 70 CB PRO A 8 -3.012 -12.552 -2.979 1.00 0.00 C ATOM 71 CG PRO A 8 -3.759 -12.051 -4.166 1.00 0.00 C ATOM 72 CD PRO A 8 -5.100 -12.729 -4.128 1.00 0.00 C ATOM 0 HA PRO A 8 -3.871 -13.612 -1.242 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.268 -11.829 -2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.479 -13.475 -3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.869 -10.967 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.229 -12.287 -5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.886 -12.088 -4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.104 -13.645 -4.718 1.00 0.00 H new ATOM 80 N VAL A 9 -4.650 -10.445 -1.569 1.00 0.00 N ATOM 81 CA VAL A 9 -4.807 -9.211 -0.810 1.00 0.00 C ATOM 82 C VAL A 9 -6.264 -8.761 -0.786 1.00 0.00 C ATOM 83 O VAL A 9 -6.954 -8.802 -1.805 1.00 0.00 O ATOM 84 CB VAL A 9 -3.941 -8.079 -1.393 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.931 -8.143 -2.913 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.441 -6.725 -0.912 1.00 0.00 C ATOM 0 H VAL A 9 -4.913 -10.372 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.479 -9.422 0.208 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.918 -8.209 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.314 -7.335 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.523 -9.101 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.949 -8.038 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.818 -5.936 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.473 -6.583 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.391 -6.684 0.176 1.00 0.00 H new ATOM 96 N LYS A 10 -6.726 -8.332 0.383 1.00 0.00 N ATOM 97 CA LYS A 10 -8.101 -7.872 0.541 1.00 0.00 C ATOM 98 C LYS A 10 -8.353 -6.616 -0.287 1.00 0.00 C ATOM 99 O LYS A 10 -7.446 -5.813 -0.507 1.00 0.00 O ATOM 100 CB LYS A 10 -8.401 -7.593 2.015 1.00 0.00 C ATOM 101 CG LYS A 10 -8.976 -8.788 2.755 1.00 0.00 C ATOM 102 CD LYS A 10 -9.870 -8.354 3.905 1.00 0.00 C ATOM 103 CE LYS A 10 -11.292 -8.086 3.436 1.00 0.00 C ATOM 104 NZ LYS A 10 -11.369 -6.884 2.560 1.00 0.00 N ATOM 0 H LYS A 10 -6.168 -8.293 1.236 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.765 -8.660 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.483 -7.277 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.103 -6.762 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.547 -9.406 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.163 -9.406 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.879 -9.128 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.462 -7.454 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.666 -8.955 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.940 -7.947 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.333 -6.494 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.695 -6.167 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.133 -7.151 1.583 1.00 0.00 H new ATOM 118 N VAL A 11 -9.591 -6.451 -0.743 1.00 0.00 N ATOM 119 CA VAL A 11 -9.962 -5.291 -1.544 1.00 0.00 C ATOM 120 C VAL A 11 -10.960 -4.408 -0.803 1.00 0.00 C ATOM 121 O VAL A 11 -12.161 -4.680 -0.796 1.00 0.00 O ATOM 122 CB VAL A 11 -10.571 -5.714 -2.894 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.981 -4.491 -3.701 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.590 -6.574 -3.675 1.00 0.00 C ATOM 0 H VAL A 11 -10.354 -7.106 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.048 -4.726 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.464 -6.308 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.409 -4.809 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.722 -3.918 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.106 -3.868 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.037 -6.864 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.677 -6.008 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.351 -7.468 -3.099 1.00 0.00 H new ATOM 134 N LEU A 12 -10.455 -3.349 -0.179 1.00 0.00 N ATOM 135 CA LEU A 12 -11.302 -2.424 0.566 1.00 0.00 C ATOM 136 C LEU A 12 -12.004 -1.451 -0.376 1.00 0.00 C ATOM 137 O LEU A 12 -11.444 -1.040 -1.392 1.00 0.00 O ATOM 138 CB LEU A 12 -10.469 -1.651 1.589 1.00 0.00 C ATOM 139 CG LEU A 12 -9.507 -2.483 2.438 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.454 -1.592 3.080 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.269 -3.261 3.500 1.00 0.00 C ATOM 0 H LEU A 12 -9.463 -3.110 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.061 -3.005 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.892 -0.893 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.149 -1.124 2.258 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.002 -3.196 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.778 -2.202 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.887 -1.080 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.941 -0.855 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.568 -3.847 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.802 -2.565 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.984 -3.929 3.019 1.00 0.00 H new ATOM 153 N VAL A 13 -13.233 -1.083 -0.029 1.00 0.00 N ATOM 154 CA VAL A 13 -14.011 -0.154 -0.841 1.00 0.00 C ATOM 155 C VAL A 13 -14.532 1.007 -0.001 1.00 0.00 C ATOM 156 O VAL A 13 -14.546 0.941 1.227 1.00 0.00 O ATOM 157 CB VAL A 13 -15.202 -0.860 -1.515 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.727 -1.713 -2.682 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.964 -1.703 -0.504 1.00 0.00 C ATOM 0 H VAL A 13 -13.712 -1.414 0.809 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.342 0.230 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.879 -0.100 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.583 -2.204 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.230 -1.080 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.028 -2.467 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.802 -2.194 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.298 -2.457 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.338 -1.063 0.295 1.00 0.00 H new ATOM 169 N GLY A 14 -14.961 2.071 -0.673 1.00 0.00 N ATOM 170 CA GLY A 14 -15.478 3.232 0.027 1.00 0.00 C ATOM 171 C GLY A 14 -16.770 2.938 0.763 1.00 0.00 C ATOM 172 O GLY A 14 -17.325 3.810 1.432 1.00 0.00 O ATOM 0 H GLY A 14 -14.960 2.149 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.731 3.586 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.646 4.038 -0.687 1.00 0.00 H new ATOM 176 N LYS A 15 -17.253 1.706 0.638 1.00 0.00 N ATOM 177 CA LYS A 15 -18.489 1.298 1.295 1.00 0.00 C ATOM 178 C LYS A 15 -18.202 0.702 2.670 1.00 0.00 C ATOM 179 O LYS A 15 -18.777 1.125 3.672 1.00 0.00 O ATOM 180 CB LYS A 15 -19.238 0.280 0.432 1.00 0.00 C ATOM 181 CG LYS A 15 -20.518 -0.232 1.069 1.00 0.00 C ATOM 182 CD LYS A 15 -20.878 -1.618 0.560 1.00 0.00 C ATOM 183 CE LYS A 15 -21.328 -1.579 -0.892 1.00 0.00 C ATOM 184 NZ LYS A 15 -20.183 -1.732 -1.832 1.00 0.00 N ATOM 0 H LYS A 15 -16.807 0.973 0.087 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.112 2.183 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.477 0.737 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.580 -0.565 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.400 -0.260 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.334 0.459 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.016 -2.278 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.672 -2.038 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -22.052 -2.374 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.836 -0.635 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.498 -2.241 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.828 -0.793 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.423 -2.270 -1.369 1.00 0.00 H new ATOM 198 N ASN A 16 -17.309 -0.282 2.709 1.00 0.00 N ATOM 199 CA ASN A 16 -16.946 -0.935 3.961 1.00 0.00 C ATOM 200 C ASN A 16 -15.436 -0.902 4.175 1.00 0.00 C ATOM 201 O ASN A 16 -14.864 -1.805 4.784 1.00 0.00 O ATOM 202 CB ASN A 16 -17.442 -2.383 3.968 1.00 0.00 C ATOM 203 CG ASN A 16 -16.772 -3.228 2.901 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.350 -3.487 1.846 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.547 -3.662 3.174 1.00 0.00 N ATOM 0 H ASN A 16 -16.824 -0.644 1.888 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.422 -0.391 4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.255 -2.824 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.521 -2.396 3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.046 -4.235 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.107 -3.422 4.062 1.00 0.00 H new ATOM 212 N PHE A 17 -14.796 0.147 3.668 1.00 0.00 N ATOM 213 CA PHE A 17 -13.352 0.299 3.803 1.00 0.00 C ATOM 214 C PHE A 17 -12.930 0.216 5.267 1.00 0.00 C ATOM 215 O PHE A 17 -12.217 -0.705 5.666 1.00 0.00 O ATOM 216 CB PHE A 17 -12.900 1.633 3.205 1.00 0.00 C ATOM 217 CG PHE A 17 -11.703 2.224 3.894 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.460 1.619 3.792 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.820 3.384 4.642 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.358 2.160 4.426 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.721 3.930 5.278 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.488 3.318 5.168 1.00 0.00 C ATOM 0 H PHE A 17 -15.254 0.904 3.160 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.874 -0.516 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.667 1.489 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.726 2.343 3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.352 0.715 3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.782 3.868 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.395 1.678 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.826 4.834 5.860 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.627 3.744 5.661 1.00 0.00 H new ATOM 232 N GLU A 18 -13.375 1.185 6.060 1.00 0.00 N ATOM 233 CA GLU A 18 -13.042 1.222 7.480 1.00 0.00 C ATOM 234 C GLU A 18 -13.474 -0.067 8.174 1.00 0.00 C ATOM 235 O GLU A 18 -12.802 -0.549 9.086 1.00 0.00 O ATOM 236 CB GLU A 18 -13.710 2.424 8.151 1.00 0.00 C ATOM 237 CG GLU A 18 -13.072 3.755 7.791 1.00 0.00 C ATOM 238 CD GLU A 18 -13.830 4.938 8.360 1.00 0.00 C ATOM 239 OE1 GLU A 18 -13.957 5.023 9.599 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.297 5.781 7.564 1.00 0.00 O ATOM 0 H GLU A 18 -13.966 1.954 5.745 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.960 1.318 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.763 2.448 7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.672 2.293 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.047 3.774 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.022 3.848 6.706 1.00 0.00 H new ATOM 247 N ASP A 19 -14.600 -0.620 7.735 1.00 0.00 N ATOM 248 CA ASP A 19 -15.121 -1.853 8.313 1.00 0.00 C ATOM 249 C ASP A 19 -14.030 -2.915 8.404 1.00 0.00 C ATOM 250 O ASP A 19 -13.808 -3.502 9.463 1.00 0.00 O ATOM 251 CB ASP A 19 -16.292 -2.376 7.479 1.00 0.00 C ATOM 252 CG ASP A 19 -17.251 -3.221 8.293 1.00 0.00 C ATOM 253 OD1 ASP A 19 -17.510 -2.865 9.461 1.00 0.00 O ATOM 254 OD2 ASP A 19 -17.742 -4.240 7.763 1.00 0.00 O ATOM 0 H ASP A 19 -15.169 -0.234 6.981 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.472 -1.633 9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.832 -1.533 7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.907 -2.967 6.648 1.00 0.00 H new ATOM 259 N VAL A 20 -13.353 -3.157 7.286 1.00 0.00 N ATOM 260 CA VAL A 20 -12.284 -4.148 7.239 1.00 0.00 C ATOM 261 C VAL A 20 -10.950 -3.538 7.653 1.00 0.00 C ATOM 262 O VAL A 20 -10.091 -4.219 8.212 1.00 0.00 O ATOM 263 CB VAL A 20 -12.144 -4.756 5.831 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.006 -5.765 5.796 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.452 -5.400 5.396 1.00 0.00 C ATOM 0 H VAL A 20 -13.526 -2.681 6.401 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.552 -4.937 7.942 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.909 -3.955 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.922 -6.184 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.072 -5.270 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.207 -6.565 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.335 -5.824 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.719 -6.190 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.240 -4.647 5.379 1.00 0.00 H new ATOM 275 N ALA A 21 -10.783 -2.249 7.375 1.00 0.00 N ATOM 276 CA ALA A 21 -9.554 -1.546 7.720 1.00 0.00 C ATOM 277 C ALA A 21 -9.399 -1.423 9.232 1.00 0.00 C ATOM 278 O ALA A 21 -8.469 -1.977 9.818 1.00 0.00 O ATOM 279 CB ALA A 21 -9.534 -0.170 7.072 1.00 0.00 C ATOM 0 H ALA A 21 -11.484 -1.671 6.912 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.713 -2.126 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.610 0.344 7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.591 -0.277 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.387 0.410 7.424 1.00 0.00 H new ATOM 285 N PHE A 22 -10.315 -0.692 9.859 1.00 0.00 N ATOM 286 CA PHE A 22 -10.278 -0.494 11.303 1.00 0.00 C ATOM 287 C PHE A 22 -10.903 -1.681 12.030 1.00 0.00 C ATOM 288 O PHE A 22 -12.125 -1.788 12.130 1.00 0.00 O ATOM 289 CB PHE A 22 -11.011 0.794 11.682 1.00 0.00 C ATOM 290 CG PHE A 22 -10.287 2.042 11.264 1.00 0.00 C ATOM 291 CD1 PHE A 22 -9.059 2.364 11.819 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.833 2.891 10.315 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.390 3.512 11.436 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.169 4.040 9.928 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.946 4.350 10.489 1.00 0.00 C ATOM 0 H PHE A 22 -11.092 -0.227 9.389 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.234 -0.412 11.607 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.000 0.787 11.225 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.159 0.814 12.762 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.620 1.711 12.559 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.789 2.652 9.872 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.434 3.753 11.877 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.606 4.694 9.188 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.425 5.247 10.188 1.00 0.00 H new ATOM 305 N ASP A 23 -10.055 -2.570 12.536 1.00 0.00 N ATOM 306 CA ASP A 23 -10.523 -3.749 13.255 1.00 0.00 C ATOM 307 C ASP A 23 -9.713 -3.966 14.530 1.00 0.00 C ATOM 308 O ASP A 23 -8.546 -3.583 14.607 1.00 0.00 O ATOM 309 CB ASP A 23 -10.431 -4.987 12.361 1.00 0.00 C ATOM 310 CG ASP A 23 -11.346 -6.104 12.824 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.534 -5.826 13.088 1.00 0.00 O ATOM 312 OD2 ASP A 23 -10.874 -7.256 12.922 1.00 0.00 O ATOM 0 H ASP A 23 -9.040 -2.496 12.461 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.565 -3.586 13.531 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.687 -4.712 11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.402 -5.346 12.347 1.00 0.00 H new ATOM 317 N GLU A 24 -10.341 -4.581 15.527 1.00 0.00 N ATOM 318 CA GLU A 24 -9.679 -4.846 16.798 1.00 0.00 C ATOM 319 C GLU A 24 -8.878 -6.143 16.735 1.00 0.00 C ATOM 320 O GLU A 24 -9.225 -7.065 15.996 1.00 0.00 O ATOM 321 CB GLU A 24 -10.707 -4.923 17.929 1.00 0.00 C ATOM 322 CG GLU A 24 -10.135 -5.441 19.238 1.00 0.00 C ATOM 323 CD GLU A 24 -9.385 -4.373 20.010 1.00 0.00 C ATOM 324 OE1 GLU A 24 -10.042 -3.457 20.547 1.00 0.00 O ATOM 325 OE2 GLU A 24 -8.141 -4.454 20.076 1.00 0.00 O ATOM 0 H GLU A 24 -11.307 -4.905 15.479 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.992 -4.024 16.997 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.128 -3.931 18.094 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.527 -5.570 17.619 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.945 -5.829 19.856 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.463 -6.274 19.032 1.00 0.00 H new ATOM 332 N LYS A 25 -7.803 -6.207 17.514 1.00 0.00 N ATOM 333 CA LYS A 25 -6.952 -7.390 17.548 1.00 0.00 C ATOM 334 C LYS A 25 -6.606 -7.853 16.136 1.00 0.00 C ATOM 335 O LYS A 25 -6.540 -9.052 15.863 1.00 0.00 O ATOM 336 CB LYS A 25 -7.646 -8.521 18.311 1.00 0.00 C ATOM 337 CG LYS A 25 -7.298 -8.561 19.789 1.00 0.00 C ATOM 338 CD LYS A 25 -6.040 -9.375 20.044 1.00 0.00 C ATOM 339 CE LYS A 25 -4.827 -8.479 20.237 1.00 0.00 C ATOM 340 NZ LYS A 25 -3.554 -9.201 19.962 1.00 0.00 N ATOM 0 H LYS A 25 -7.501 -5.453 18.130 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.027 -7.127 18.062 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.725 -8.412 18.203 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.375 -9.474 17.857 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.156 -7.545 20.158 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.130 -8.990 20.348 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.180 -9.996 20.929 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.866 -10.050 19.206 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.905 -7.616 19.576 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.815 -8.099 21.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.751 -8.556 20.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.467 -10.010 20.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.554 -9.542 18.979 1.00 0.00 H new ATOM 354 N LYS A 26 -6.384 -6.895 15.243 1.00 0.00 N ATOM 355 CA LYS A 26 -6.041 -7.203 13.859 1.00 0.00 C ATOM 356 C LYS A 26 -5.287 -6.044 13.215 1.00 0.00 C ATOM 357 O LYS A 26 -5.818 -4.942 13.084 1.00 0.00 O ATOM 358 CB LYS A 26 -7.306 -7.512 13.056 1.00 0.00 C ATOM 359 CG LYS A 26 -7.069 -7.599 11.558 1.00 0.00 C ATOM 360 CD LYS A 26 -6.482 -8.944 11.164 1.00 0.00 C ATOM 361 CE LYS A 26 -7.544 -10.033 11.147 1.00 0.00 C ATOM 362 NZ LYS A 26 -6.945 -11.393 11.233 1.00 0.00 N ATOM 0 H LYS A 26 -6.435 -5.898 15.453 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.394 -8.080 13.857 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.726 -8.456 13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.049 -6.740 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.010 -7.443 11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.394 -6.801 11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.023 -8.867 10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.692 -9.216 11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.230 -9.885 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.132 -9.952 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.688 -12.086 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.506 -11.637 10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.222 -11.407 11.981 1.00 0.00 H new ATOM 376 N ASN A 27 -4.047 -6.302 12.813 1.00 0.00 N ATOM 377 CA ASN A 27 -3.220 -5.280 12.181 1.00 0.00 C ATOM 378 C ASN A 27 -3.399 -5.296 10.666 1.00 0.00 C ATOM 379 O ASN A 27 -2.730 -6.050 9.959 1.00 0.00 O ATOM 380 CB ASN A 27 -1.747 -5.496 12.534 1.00 0.00 C ATOM 381 CG ASN A 27 -1.521 -5.602 14.030 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.244 -4.607 14.700 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.638 -6.814 14.561 1.00 0.00 N ATOM 0 H ASN A 27 -3.593 -7.210 12.913 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.538 -4.307 12.557 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.390 -6.405 12.050 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.156 -4.670 12.138 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.497 -6.948 15.562 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.869 -7.611 13.967 1.00 0.00 H new ATOM 390 N VAL A 28 -4.306 -4.458 10.174 1.00 0.00 N ATOM 391 CA VAL A 28 -4.572 -4.374 8.743 1.00 0.00 C ATOM 392 C VAL A 28 -3.702 -3.309 8.083 1.00 0.00 C ATOM 393 O VAL A 28 -3.630 -2.173 8.552 1.00 0.00 O ATOM 394 CB VAL A 28 -6.053 -4.055 8.465 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.329 -4.060 6.969 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.955 -5.046 9.185 1.00 0.00 C ATOM 0 H VAL A 28 -4.869 -3.828 10.745 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.332 -5.349 8.319 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.270 -3.057 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.380 -3.833 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.708 -3.308 6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.097 -5.043 6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.998 -4.806 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.739 -6.055 8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.776 -4.988 10.259 1.00 0.00 H new ATOM 406 N PHE A 29 -3.043 -3.684 6.992 1.00 0.00 N ATOM 407 CA PHE A 29 -2.176 -2.762 6.268 1.00 0.00 C ATOM 408 C PHE A 29 -2.779 -2.400 4.913 1.00 0.00 C ATOM 409 O PHE A 29 -2.675 -3.162 3.952 1.00 0.00 O ATOM 410 CB PHE A 29 -0.789 -3.378 6.073 1.00 0.00 C ATOM 411 CG PHE A 29 0.199 -2.441 5.439 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.006 -1.070 5.491 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.321 -2.932 4.790 1.00 0.00 C ATOM 414 CE1 PHE A 29 0.913 -0.205 4.909 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.232 -2.072 4.207 1.00 0.00 C ATOM 416 CZ PHE A 29 2.027 -0.707 4.265 1.00 0.00 C ATOM 0 H PHE A 29 -3.093 -4.620 6.590 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.081 -1.852 6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.404 -3.699 7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.880 -4.270 5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.864 -0.672 5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.485 -3.998 4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.751 0.862 4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.104 -2.467 3.706 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.737 -0.034 3.808 1.00 0.00 H new ATOM 426 N VAL A 30 -3.409 -1.232 4.845 1.00 0.00 N ATOM 427 CA VAL A 30 -4.029 -0.768 3.610 1.00 0.00 C ATOM 428 C VAL A 30 -3.001 -0.114 2.692 1.00 0.00 C ATOM 429 O VAL A 30 -1.983 0.401 3.153 1.00 0.00 O ATOM 430 CB VAL A 30 -5.162 0.236 3.893 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.904 0.579 2.610 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.116 -0.319 4.939 1.00 0.00 C ATOM 0 H VAL A 30 -3.504 -0.589 5.631 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.447 -1.645 3.116 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.722 1.153 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.701 1.290 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.210 1.021 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.334 -0.328 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.910 0.403 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.551 -1.251 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.572 -0.508 5.864 1.00 0.00 H new ATOM 442 N GLU A 31 -3.277 -0.138 1.392 1.00 0.00 N ATOM 443 CA GLU A 31 -2.376 0.453 0.410 1.00 0.00 C ATOM 444 C GLU A 31 -3.146 1.313 -0.587 1.00 0.00 C ATOM 445 O GLU A 31 -3.791 0.797 -1.501 1.00 0.00 O ATOM 446 CB GLU A 31 -1.606 -0.642 -0.332 1.00 0.00 C ATOM 447 CG GLU A 31 -1.011 -0.180 -1.652 1.00 0.00 C ATOM 448 CD GLU A 31 -0.524 -1.333 -2.508 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.366 -1.974 -3.172 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.697 -1.595 -2.513 1.00 0.00 O ATOM 0 H GLU A 31 -4.116 -0.560 0.995 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.668 1.089 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.805 -1.009 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.275 -1.482 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.760 0.387 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.180 0.497 -1.454 1.00 0.00 H new ATOM 457 N PHE A 32 -3.076 2.627 -0.405 1.00 0.00 N ATOM 458 CA PHE A 32 -3.767 3.560 -1.287 1.00 0.00 C ATOM 459 C PHE A 32 -2.972 3.787 -2.570 1.00 0.00 C ATOM 460 O PHE A 32 -2.034 4.584 -2.598 1.00 0.00 O ATOM 461 CB PHE A 32 -3.998 4.894 -0.574 1.00 0.00 C ATOM 462 CG PHE A 32 -4.831 4.772 0.671 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.214 4.763 0.597 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.229 4.666 1.914 1.00 0.00 C ATOM 465 CE1 PHE A 32 -6.983 4.650 1.740 1.00 0.00 C ATOM 466 CE2 PHE A 32 -4.993 4.553 3.061 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.371 4.546 2.973 1.00 0.00 C ATOM 0 H PHE A 32 -2.547 3.070 0.346 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.731 3.125 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.033 5.330 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.486 5.585 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.697 4.845 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.152 4.672 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.061 4.643 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.512 4.470 4.025 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.969 4.459 3.868 1.00 0.00 H new ATOM 477 N TYR A 33 -3.354 3.081 -3.628 1.00 0.00 N ATOM 478 CA TYR A 33 -2.676 3.203 -4.913 1.00 0.00 C ATOM 479 C TYR A 33 -3.533 3.975 -5.910 1.00 0.00 C ATOM 480 O TYR A 33 -4.690 4.292 -5.637 1.00 0.00 O ATOM 481 CB TYR A 33 -2.346 1.818 -5.472 1.00 0.00 C ATOM 482 CG TYR A 33 -3.565 1.027 -5.889 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.198 1.275 -7.100 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.084 0.030 -5.070 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.313 0.555 -7.484 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.197 -0.695 -5.447 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.809 -0.429 -6.654 1.00 0.00 C ATOM 488 OH TYR A 33 -6.918 -1.149 -7.034 1.00 0.00 O ATOM 0 H TYR A 33 -4.129 2.418 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.749 3.755 -4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.685 1.930 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.797 1.253 -4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.812 2.044 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.609 -0.181 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.794 0.761 -8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.587 -1.467 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.137 -1.803 -6.338 1.00 0.00 H new ATOM 498 N ALA A 34 -2.955 4.276 -7.069 1.00 0.00 N ATOM 499 CA ALA A 34 -3.666 5.009 -8.110 1.00 0.00 C ATOM 500 C ALA A 34 -3.584 4.281 -9.447 1.00 0.00 C ATOM 501 O ALA A 34 -2.530 3.792 -9.852 1.00 0.00 O ATOM 502 CB ALA A 34 -3.106 6.418 -8.238 1.00 0.00 C ATOM 0 H ALA A 34 -1.997 4.024 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.716 5.072 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.646 6.954 -9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.222 6.943 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.049 6.367 -8.497 1.00 0.00 H new ATOM 508 N PRO A 35 -4.724 4.205 -10.151 1.00 0.00 N ATOM 509 CA PRO A 35 -4.807 3.538 -11.453 1.00 0.00 C ATOM 510 C PRO A 35 -4.068 4.305 -12.545 1.00 0.00 C ATOM 511 O PRO A 35 -3.967 3.841 -13.681 1.00 0.00 O ATOM 512 CB PRO A 35 -6.310 3.511 -11.742 1.00 0.00 C ATOM 513 CG PRO A 35 -6.866 4.654 -10.966 1.00 0.00 C ATOM 514 CD PRO A 35 -6.019 4.766 -9.729 1.00 0.00 C ATOM 0 HA PRO A 35 -4.344 2.551 -11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.510 3.622 -12.808 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.756 2.567 -11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.830 5.575 -11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.911 4.480 -10.709 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.921 5.801 -9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.447 4.207 -8.897 1.00 0.00 H new ATOM 522 N TRP A 36 -3.555 5.478 -12.194 1.00 0.00 N ATOM 523 CA TRP A 36 -2.825 6.308 -13.145 1.00 0.00 C ATOM 524 C TRP A 36 -1.407 6.581 -12.654 1.00 0.00 C ATOM 525 O TRP A 36 -0.539 6.985 -13.428 1.00 0.00 O ATOM 526 CB TRP A 36 -3.562 7.629 -13.372 1.00 0.00 C ATOM 527 CG TRP A 36 -4.354 8.079 -12.182 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.676 7.835 -11.937 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.875 8.852 -11.076 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.047 8.410 -10.745 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.960 9.039 -10.197 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.635 9.402 -10.742 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.840 9.754 -9.009 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.517 10.112 -9.562 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.614 10.282 -8.707 1.00 0.00 C ATOM 0 H TRP A 36 -3.631 5.876 -11.258 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.765 5.767 -14.089 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.838 8.401 -13.630 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.231 7.521 -14.225 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.333 7.273 -12.585 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.980 8.374 -10.335 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.784 9.275 -11.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.684 9.887 -8.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.563 10.543 -9.295 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.490 10.841 -7.791 1.00 0.00 H new ATOM 546 N CYS A 37 -1.180 6.359 -11.364 1.00 0.00 N ATOM 547 CA CYS A 37 0.133 6.582 -10.769 1.00 0.00 C ATOM 548 C CYS A 37 1.146 5.569 -11.293 1.00 0.00 C ATOM 549 O CYS A 37 1.052 4.377 -11.004 1.00 0.00 O ATOM 550 CB CYS A 37 0.047 6.495 -9.245 1.00 0.00 C ATOM 551 SG CYS A 37 1.652 6.521 -8.413 1.00 0.00 S ATOM 0 H CYS A 37 -1.888 6.025 -10.710 1.00 0.00 H new ATOM 0 HA CYS A 37 0.467 7.581 -11.049 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.554 7.327 -8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.477 5.578 -8.973 1.00 0.00 H new ATOM 0 HG CYS A 37 1.795 7.648 -7.781 1.00 0.00 H new ATOM 557 N GLY A 38 2.114 6.053 -12.065 1.00 0.00 N ATOM 558 CA GLY A 38 3.130 5.176 -12.618 1.00 0.00 C ATOM 559 C GLY A 38 3.796 4.320 -11.559 1.00 0.00 C ATOM 560 O GLY A 38 4.099 3.150 -11.795 1.00 0.00 O ATOM 0 H GLY A 38 2.213 7.036 -12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.678 4.531 -13.371 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.886 5.775 -13.125 1.00 0.00 H new ATOM 564 N HIS A 39 4.028 4.905 -10.388 1.00 0.00 N ATOM 565 CA HIS A 39 4.665 4.189 -9.288 1.00 0.00 C ATOM 566 C HIS A 39 3.795 3.024 -8.823 1.00 0.00 C ATOM 567 O HIS A 39 4.305 1.974 -8.432 1.00 0.00 O ATOM 568 CB HIS A 39 4.933 5.138 -8.120 1.00 0.00 C ATOM 569 CG HIS A 39 6.220 5.894 -8.247 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.208 5.864 -7.285 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.680 6.702 -9.231 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.219 6.622 -7.672 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.923 7.142 -8.849 1.00 0.00 N ATOM 0 H HIS A 39 3.785 5.873 -10.176 1.00 0.00 H new ATOM 0 HA HIS A 39 5.614 3.791 -9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.110 5.848 -8.043 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.947 4.565 -7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.165 6.954 -10.146 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.132 6.788 -7.120 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.521 7.769 -9.387 1.00 0.00 H new ATOM 582 N CYS A 40 2.482 3.219 -8.867 1.00 0.00 N ATOM 583 CA CYS A 40 1.542 2.185 -8.448 1.00 0.00 C ATOM 584 C CYS A 40 1.677 0.941 -9.320 1.00 0.00 C ATOM 585 O CYS A 40 1.756 -0.179 -8.815 1.00 0.00 O ATOM 586 CB CYS A 40 0.108 2.714 -8.512 1.00 0.00 C ATOM 587 SG CYS A 40 -1.137 1.439 -8.816 1.00 0.00 S ATOM 0 H CYS A 40 2.044 4.082 -9.188 1.00 0.00 H new ATOM 0 HA CYS A 40 1.776 1.912 -7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.124 3.217 -7.573 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.044 3.464 -9.300 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.167 1.970 -9.405 1.00 0.00 H new ATOM 593 N LYS A 41 1.702 1.145 -10.633 1.00 0.00 N ATOM 594 CA LYS A 41 1.827 0.041 -11.577 1.00 0.00 C ATOM 595 C LYS A 41 2.934 -0.918 -11.149 1.00 0.00 C ATOM 596 O LYS A 41 2.906 -2.101 -11.487 1.00 0.00 O ATOM 597 CB LYS A 41 2.115 0.575 -12.982 1.00 0.00 C ATOM 598 CG LYS A 41 0.875 1.053 -13.717 1.00 0.00 C ATOM 599 CD LYS A 41 1.226 2.036 -14.821 1.00 0.00 C ATOM 600 CE LYS A 41 -0.003 2.786 -15.311 1.00 0.00 C ATOM 601 NZ LYS A 41 -0.698 2.057 -16.408 1.00 0.00 N ATOM 0 H LYS A 41 1.637 2.066 -11.068 1.00 0.00 H new ATOM 0 HA LYS A 41 0.883 -0.504 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.825 1.399 -12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.595 -0.209 -13.568 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.351 0.197 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.192 1.526 -13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.966 2.748 -14.454 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.683 1.502 -15.654 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.693 2.935 -14.480 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.291 3.775 -15.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.530 2.601 -16.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.048 1.937 -17.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.002 1.123 -16.066 1.00 0.00 H new ATOM 615 N GLN A 42 3.904 -0.400 -10.402 1.00 0.00 N ATOM 616 CA GLN A 42 5.018 -1.211 -9.928 1.00 0.00 C ATOM 617 C GLN A 42 4.694 -1.846 -8.580 1.00 0.00 C ATOM 618 O GLN A 42 5.217 -2.908 -8.240 1.00 0.00 O ATOM 619 CB GLN A 42 6.284 -0.360 -9.814 1.00 0.00 C ATOM 620 CG GLN A 42 6.919 -0.031 -11.155 1.00 0.00 C ATOM 621 CD GLN A 42 7.872 -1.111 -11.630 1.00 0.00 C ATOM 622 OE1 GLN A 42 9.043 -1.132 -11.250 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.374 -2.015 -12.465 1.00 0.00 N ATOM 0 H GLN A 42 3.940 0.577 -10.112 1.00 0.00 H new ATOM 0 HA GLN A 42 5.189 -2.008 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.042 0.569 -9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.011 -0.887 -9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.135 0.110 -11.899 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.457 0.914 -11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.397 -1.959 -12.754 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.968 -2.765 -12.818 1.00 0.00 H new ATOM 632 N LEU A 43 3.830 -1.188 -7.814 1.00 0.00 N ATOM 633 CA LEU A 43 3.437 -1.688 -6.501 1.00 0.00 C ATOM 634 C LEU A 43 2.355 -2.756 -6.627 1.00 0.00 C ATOM 635 O LEU A 43 2.104 -3.513 -5.690 1.00 0.00 O ATOM 636 CB LEU A 43 2.935 -0.538 -5.626 1.00 0.00 C ATOM 637 CG LEU A 43 2.999 -0.768 -4.115 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.444 -0.852 -3.648 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.261 0.339 -3.376 1.00 0.00 C ATOM 0 H LEU A 43 3.389 -0.308 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 43 4.313 -2.138 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.516 0.353 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.901 -0.326 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 43 2.511 -1.716 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.469 -1.016 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.942 -1.680 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.958 0.079 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.317 0.160 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.720 1.300 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.217 0.351 -3.688 1.00 0.00 H new ATOM 651 N ALA A 44 1.718 -2.811 -7.793 1.00 0.00 N ATOM 652 CA ALA A 44 0.667 -3.789 -8.042 1.00 0.00 C ATOM 653 C ALA A 44 1.149 -5.204 -7.742 1.00 0.00 C ATOM 654 O ALA A 44 0.532 -5.947 -6.978 1.00 0.00 O ATOM 655 CB ALA A 44 0.184 -3.689 -9.482 1.00 0.00 C ATOM 0 H ALA A 44 1.912 -2.190 -8.579 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.165 -3.568 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.601 -4.425 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.210 -2.689 -9.665 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.016 -3.881 -10.159 1.00 0.00 H new ATOM 661 N PRO A 45 2.279 -5.587 -8.355 1.00 0.00 N ATOM 662 CA PRO A 45 2.869 -6.916 -8.168 1.00 0.00 C ATOM 663 C PRO A 45 3.450 -7.101 -6.770 1.00 0.00 C ATOM 664 O PRO A 45 3.198 -8.111 -6.112 1.00 0.00 O ATOM 665 CB PRO A 45 3.981 -6.961 -9.219 1.00 0.00 C ATOM 666 CG PRO A 45 4.340 -5.535 -9.452 1.00 0.00 C ATOM 667 CD PRO A 45 3.067 -4.753 -9.278 1.00 0.00 C ATOM 0 HA PRO A 45 2.129 -7.709 -8.276 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.839 -7.532 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.639 -7.438 -10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.101 -5.204 -8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.751 -5.394 -10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.257 -3.763 -8.863 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.552 -4.607 -10.227 1.00 0.00 H new ATOM 675 N ILE A 46 4.226 -6.120 -6.322 1.00 0.00 N ATOM 676 CA ILE A 46 4.840 -6.175 -5.001 1.00 0.00 C ATOM 677 C ILE A 46 3.784 -6.310 -3.909 1.00 0.00 C ATOM 678 O ILE A 46 3.928 -7.115 -2.989 1.00 0.00 O ATOM 679 CB ILE A 46 5.692 -4.922 -4.724 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.742 -4.739 -5.822 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.356 -5.025 -3.359 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.086 -3.292 -6.094 1.00 0.00 C ATOM 0 H ILE A 46 4.444 -5.278 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 46 5.485 -7.053 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 46 5.039 -4.049 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.649 -5.273 -5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.378 -5.196 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.955 -4.132 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.591 -5.112 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.999 -5.905 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.836 -3.238 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.189 -2.758 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.481 -2.835 -5.187 1.00 0.00 H new ATOM 694 N TRP A 47 2.724 -5.519 -4.019 1.00 0.00 N ATOM 695 CA TRP A 47 1.642 -5.551 -3.041 1.00 0.00 C ATOM 696 C TRP A 47 0.925 -6.897 -3.067 1.00 0.00 C ATOM 697 O TRP A 47 0.484 -7.396 -2.031 1.00 0.00 O ATOM 698 CB TRP A 47 0.646 -4.424 -3.314 1.00 0.00 C ATOM 699 CG TRP A 47 -0.271 -4.148 -2.161 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.629 -4.292 -2.140 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.105 -3.679 -0.861 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.120 -3.941 -0.906 1.00 0.00 N ATOM 703 CE2 TRP A 47 -1.077 -3.562 -0.103 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.324 -3.348 -0.263 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -1.072 -3.127 1.220 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.327 -2.917 1.049 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.136 -2.810 1.780 1.00 0.00 C ATOM 0 H TRP A 47 2.590 -4.848 -4.775 1.00 0.00 H new ATOM 0 HA TRP A 47 2.076 -5.410 -2.051 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.195 -3.515 -3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.050 -4.680 -4.190 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.229 -4.632 -2.971 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.102 -3.960 -0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.248 -3.428 -0.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.989 -3.043 1.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.264 -2.658 1.520 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.172 -2.471 2.805 1.00 0.00 H new ATOM 718 N ASP A 48 0.813 -7.480 -4.256 1.00 0.00 N ATOM 719 CA ASP A 48 0.150 -8.769 -4.416 1.00 0.00 C ATOM 720 C ASP A 48 0.954 -9.879 -3.747 1.00 0.00 C ATOM 721 O ASP A 48 0.389 -10.832 -3.208 1.00 0.00 O ATOM 722 CB ASP A 48 -0.045 -9.086 -5.899 1.00 0.00 C ATOM 723 CG ASP A 48 -0.253 -10.566 -6.152 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.752 -11.283 -6.341 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.421 -11.007 -6.162 1.00 0.00 O ATOM 0 H ASP A 48 1.173 -7.080 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.826 -8.710 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.904 -8.532 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.826 -8.744 -6.458 1.00 0.00 H new ATOM 730 N LYS A 49 2.276 -9.752 -3.786 1.00 0.00 N ATOM 731 CA LYS A 49 3.159 -10.744 -3.184 1.00 0.00 C ATOM 732 C LYS A 49 3.082 -10.688 -1.662 1.00 0.00 C ATOM 733 O LYS A 49 2.895 -11.712 -1.002 1.00 0.00 O ATOM 734 CB LYS A 49 4.602 -10.516 -3.641 1.00 0.00 C ATOM 735 CG LYS A 49 4.795 -10.663 -5.140 1.00 0.00 C ATOM 736 CD LYS A 49 5.922 -9.778 -5.646 1.00 0.00 C ATOM 737 CE LYS A 49 6.676 -10.435 -6.792 1.00 0.00 C ATOM 738 NZ LYS A 49 7.241 -11.755 -6.399 1.00 0.00 N ATOM 0 H LYS A 49 2.760 -8.971 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 49 2.832 -11.731 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.917 -9.517 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.253 -11.224 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.013 -11.704 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.869 -10.405 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.515 -8.823 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.612 -9.564 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.005 -10.565 -7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.482 -9.778 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.258 -11.776 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.102 -11.902 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.759 -12.510 -6.927 1.00 0.00 H new ATOM 752 N LEU A 50 3.224 -9.489 -1.110 1.00 0.00 N ATOM 753 CA LEU A 50 3.169 -9.300 0.336 1.00 0.00 C ATOM 754 C LEU A 50 1.795 -9.675 0.882 1.00 0.00 C ATOM 755 O LEU A 50 1.680 -10.225 1.976 1.00 0.00 O ATOM 756 CB LEU A 50 3.494 -7.848 0.693 1.00 0.00 C ATOM 757 CG LEU A 50 2.900 -7.331 2.004 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.652 -7.905 3.194 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.927 -5.809 2.037 1.00 0.00 C ATOM 0 H LEU A 50 3.378 -8.632 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 50 3.912 -9.955 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.578 -7.740 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.145 -7.209 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 50 1.862 -7.658 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.215 -7.526 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.581 -8.993 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.700 -7.609 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.501 -5.458 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.957 -5.461 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.343 -5.417 1.205 1.00 0.00 H new ATOM 771 N GLY A 51 0.755 -9.374 0.110 1.00 0.00 N ATOM 772 CA GLY A 51 -0.597 -9.689 0.532 1.00 0.00 C ATOM 773 C GLY A 51 -0.806 -11.175 0.748 1.00 0.00 C ATOM 774 O GLY A 51 -1.300 -11.592 1.795 1.00 0.00 O ATOM 0 H GLY A 51 0.825 -8.918 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.819 -9.156 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.301 -9.332 -0.219 1.00 0.00 H new ATOM 778 N GLU A 52 -0.430 -11.975 -0.245 1.00 0.00 N ATOM 779 CA GLU A 52 -0.582 -13.422 -0.158 1.00 0.00 C ATOM 780 C GLU A 52 0.248 -13.989 0.990 1.00 0.00 C ATOM 781 O GLU A 52 -0.023 -15.082 1.488 1.00 0.00 O ATOM 782 CB GLU A 52 -0.167 -14.081 -1.476 1.00 0.00 C ATOM 783 CG GLU A 52 1.324 -13.991 -1.757 1.00 0.00 C ATOM 784 CD GLU A 52 1.791 -15.029 -2.759 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.994 -16.193 -2.357 1.00 0.00 O ATOM 786 OE2 GLU A 52 1.955 -14.675 -3.946 1.00 0.00 O ATOM 0 H GLU A 52 -0.018 -11.645 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.633 -13.640 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.462 -15.130 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.712 -13.611 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.560 -12.996 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.874 -14.118 -0.825 1.00 0.00 H new ATOM 793 N THR A 53 1.262 -13.237 1.407 1.00 0.00 N ATOM 794 CA THR A 53 2.134 -13.663 2.494 1.00 0.00 C ATOM 795 C THR A 53 1.420 -13.572 3.838 1.00 0.00 C ATOM 796 O THR A 53 1.684 -14.360 4.747 1.00 0.00 O ATOM 797 CB THR A 53 3.418 -12.815 2.550 1.00 0.00 C ATOM 798 OG1 THR A 53 4.177 -12.996 1.349 1.00 0.00 O ATOM 799 CG2 THR A 53 4.267 -13.196 3.754 1.00 0.00 C ATOM 0 H THR A 53 1.499 -12.329 1.008 1.00 0.00 H new ATOM 0 HA THR A 53 2.402 -14.701 2.296 1.00 0.00 H new ATOM 0 HB THR A 53 3.131 -11.768 2.645 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.725 -12.545 0.605 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.168 -12.583 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.697 -13.030 4.668 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.544 -14.248 3.685 1.00 0.00 H new ATOM 807 N TYR A 54 0.515 -12.608 3.958 1.00 0.00 N ATOM 808 CA TYR A 54 -0.236 -12.413 5.193 1.00 0.00 C ATOM 809 C TYR A 54 -1.737 -12.520 4.940 1.00 0.00 C ATOM 810 O TYR A 54 -2.543 -11.911 5.644 1.00 0.00 O ATOM 811 CB TYR A 54 0.093 -11.051 5.805 1.00 0.00 C ATOM 812 CG TYR A 54 1.560 -10.868 6.121 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.462 -10.491 5.134 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.045 -11.070 7.408 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.804 -10.324 5.418 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.384 -10.904 7.701 1.00 0.00 C ATOM 817 CZ TYR A 54 4.260 -10.531 6.703 1.00 0.00 C ATOM 818 OH TYR A 54 5.595 -10.364 6.990 1.00 0.00 O ATOM 0 H TYR A 54 0.283 -11.949 3.215 1.00 0.00 H new ATOM 0 HA TYR A 54 0.054 -13.197 5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.222 -10.267 5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.486 -10.924 6.720 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.108 -10.326 4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.362 -11.362 8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.492 -10.033 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.744 -11.065 8.706 1.00 0.00 H new ATOM 0 HH TYR A 54 5.751 -10.547 7.940 1.00 0.00 H new ATOM 828 N LYS A 55 -2.106 -13.300 3.929 1.00 0.00 N ATOM 829 CA LYS A 55 -3.509 -13.491 3.583 1.00 0.00 C ATOM 830 C LYS A 55 -4.203 -14.392 4.599 1.00 0.00 C ATOM 831 O LYS A 55 -5.371 -14.185 4.931 1.00 0.00 O ATOM 832 CB LYS A 55 -3.632 -14.095 2.182 1.00 0.00 C ATOM 833 CG LYS A 55 -3.321 -15.580 2.130 1.00 0.00 C ATOM 834 CD LYS A 55 -3.159 -16.067 0.700 1.00 0.00 C ATOM 835 CE LYS A 55 -2.186 -17.233 0.615 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.730 -18.459 1.262 1.00 0.00 N ATOM 0 H LYS A 55 -1.452 -13.810 3.335 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.996 -12.516 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.644 -13.931 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.958 -13.567 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.407 -15.781 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.121 -16.137 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.129 -16.372 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.803 -15.249 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.962 -17.443 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.246 -16.957 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.037 -19.230 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.920 -18.266 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.614 -18.738 0.790 1.00 0.00 H new ATOM 850 N ASP A 56 -3.478 -15.391 5.090 1.00 0.00 N ATOM 851 CA ASP A 56 -4.023 -16.322 6.070 1.00 0.00 C ATOM 852 C ASP A 56 -3.382 -16.108 7.438 1.00 0.00 C ATOM 853 O ASP A 56 -3.327 -17.024 8.259 1.00 0.00 O ATOM 854 CB ASP A 56 -3.806 -17.764 5.611 1.00 0.00 C ATOM 855 CG ASP A 56 -4.538 -18.766 6.483 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.751 -18.965 6.267 1.00 0.00 O ATOM 857 OD2 ASP A 56 -3.897 -19.350 7.382 1.00 0.00 O ATOM 0 H ASP A 56 -2.511 -15.577 4.825 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.093 -16.134 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.144 -17.869 4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.739 -17.989 5.621 1.00 0.00 H new ATOM 862 N HIS A 57 -2.898 -14.893 7.676 1.00 0.00 N ATOM 863 CA HIS A 57 -2.260 -14.559 8.944 1.00 0.00 C ATOM 864 C HIS A 57 -3.278 -14.557 10.080 1.00 0.00 C ATOM 865 O HIS A 57 -4.439 -14.915 9.886 1.00 0.00 O ATOM 866 CB HIS A 57 -1.578 -13.194 8.852 1.00 0.00 C ATOM 867 CG HIS A 57 -0.280 -13.121 9.596 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.183 -12.678 10.898 1.00 0.00 N ATOM 869 CD2 HIS A 57 0.979 -13.440 9.214 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.080 -12.726 11.284 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.805 -13.186 10.281 1.00 0.00 N ATOM 0 H HIS A 57 -2.936 -14.124 7.007 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.508 -15.319 9.155 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.400 -12.956 7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.254 -12.433 9.241 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.278 -13.823 8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.455 -12.438 12.255 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.815 -13.329 10.296 1.00 0.00 H new ATOM 880 N GLU A 58 -2.833 -14.152 11.266 1.00 0.00 N ATOM 881 CA GLU A 58 -3.706 -14.105 12.433 1.00 0.00 C ATOM 882 C GLU A 58 -4.143 -12.673 12.729 1.00 0.00 C ATOM 883 O GLU A 58 -5.328 -12.402 12.920 1.00 0.00 O ATOM 884 CB GLU A 58 -2.996 -14.695 13.653 1.00 0.00 C ATOM 885 CG GLU A 58 -1.960 -13.766 14.263 1.00 0.00 C ATOM 886 CD GLU A 58 -1.145 -14.435 15.353 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.234 -15.218 15.017 1.00 0.00 O ATOM 888 OE2 GLU A 58 -1.421 -14.173 16.543 1.00 0.00 O ATOM 0 H GLU A 58 -1.874 -13.852 11.443 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.593 -14.700 12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.739 -14.944 14.410 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.511 -15.627 13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.290 -13.411 13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.461 -12.890 14.675 1.00 0.00 H new ATOM 895 N ASN A 59 -3.177 -11.761 12.765 1.00 0.00 N ATOM 896 CA ASN A 59 -3.461 -10.357 13.038 1.00 0.00 C ATOM 897 C ASN A 59 -3.083 -9.484 11.846 1.00 0.00 C ATOM 898 O ASN A 59 -3.681 -8.431 11.620 1.00 0.00 O ATOM 899 CB ASN A 59 -2.703 -9.895 14.284 1.00 0.00 C ATOM 900 CG ASN A 59 -1.205 -9.828 14.057 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.691 -8.849 13.514 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.496 -10.871 14.472 1.00 0.00 N ATOM 0 H ASN A 59 -2.191 -11.969 12.609 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.532 -10.256 13.214 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.067 -8.912 14.584 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.913 -10.577 15.108 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.516 -10.882 14.346 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.963 -11.661 14.917 1.00 0.00 H new ATOM 909 N ILE A 60 -2.088 -9.928 11.085 1.00 0.00 N ATOM 910 CA ILE A 60 -1.632 -9.188 9.916 1.00 0.00 C ATOM 911 C ILE A 60 -2.530 -9.454 8.712 1.00 0.00 C ATOM 912 O ILE A 60 -2.597 -10.576 8.210 1.00 0.00 O ATOM 913 CB ILE A 60 -0.181 -9.552 9.550 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.732 -9.386 10.766 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.306 -8.692 8.393 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.154 -9.840 10.521 1.00 0.00 C ATOM 0 H ILE A 60 -1.583 -10.797 11.258 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.679 -8.130 10.174 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.152 -10.596 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.740 -8.337 11.063 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.318 -9.951 11.601 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.333 -8.961 8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.331 -8.857 7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.265 -7.641 8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.744 -9.693 11.426 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.158 -10.897 10.253 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.587 -9.258 9.707 1.00 0.00 H new ATOM 928 N VAL A 61 -3.218 -8.413 8.253 1.00 0.00 N ATOM 929 CA VAL A 61 -4.110 -8.533 7.106 1.00 0.00 C ATOM 930 C VAL A 61 -3.834 -7.441 6.079 1.00 0.00 C ATOM 931 O VAL A 61 -4.068 -6.259 6.336 1.00 0.00 O ATOM 932 CB VAL A 61 -5.588 -8.458 7.534 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.448 -7.931 6.396 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.078 -9.822 7.996 1.00 0.00 C ATOM 0 H VAL A 61 -3.175 -7.478 8.658 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.919 -9.507 6.657 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.671 -7.764 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.489 -7.885 6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.110 -6.933 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.363 -8.597 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.124 -9.751 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.981 -10.539 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.480 -10.155 8.844 1.00 0.00 H new ATOM 944 N ILE A 62 -3.337 -7.844 4.914 1.00 0.00 N ATOM 945 CA ILE A 62 -3.031 -6.899 3.847 1.00 0.00 C ATOM 946 C ILE A 62 -4.277 -6.566 3.034 1.00 0.00 C ATOM 947 O ILE A 62 -5.081 -7.444 2.723 1.00 0.00 O ATOM 948 CB ILE A 62 -1.947 -7.450 2.902 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.677 -7.784 3.687 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.646 -6.445 1.799 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.002 -6.571 4.283 1.00 0.00 C ATOM 0 H ILE A 62 -3.138 -8.818 4.685 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.659 -5.993 4.325 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.318 -8.366 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.927 -8.480 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.024 -8.295 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.878 -6.848 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.553 -6.252 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.292 -5.514 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.895 -6.883 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.284 -5.883 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.682 -6.071 4.969 1.00 0.00 H new ATOM 963 N ALA A 63 -4.430 -5.291 2.691 1.00 0.00 N ATOM 964 CA ALA A 63 -5.576 -4.841 1.911 1.00 0.00 C ATOM 965 C ALA A 63 -5.194 -3.689 0.988 1.00 0.00 C ATOM 966 O ALA A 63 -4.316 -2.887 1.310 1.00 0.00 O ATOM 967 CB ALA A 63 -6.713 -4.427 2.833 1.00 0.00 C ATOM 0 H ALA A 63 -3.774 -4.551 2.941 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.911 -5.673 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.562 -4.093 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.012 -5.277 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.381 -3.614 3.478 1.00 0.00 H new ATOM 973 N LYS A 64 -5.858 -3.611 -0.160 1.00 0.00 N ATOM 974 CA LYS A 64 -5.589 -2.557 -1.130 1.00 0.00 C ATOM 975 C LYS A 64 -6.859 -1.776 -1.451 1.00 0.00 C ATOM 976 O LYS A 64 -7.934 -2.355 -1.599 1.00 0.00 O ATOM 977 CB LYS A 64 -5.006 -3.152 -2.414 1.00 0.00 C ATOM 978 CG LYS A 64 -6.012 -3.950 -3.226 1.00 0.00 C ATOM 979 CD LYS A 64 -5.466 -4.302 -4.599 1.00 0.00 C ATOM 980 CE LYS A 64 -6.516 -4.993 -5.456 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.899 -5.832 -6.520 1.00 0.00 N ATOM 0 H LYS A 64 -6.587 -4.266 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.863 -1.872 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.611 -2.345 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.166 -3.797 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.270 -4.864 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.931 -3.374 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.125 -3.396 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.598 -4.952 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.148 -5.616 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.162 -4.244 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.647 -6.286 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.316 -5.234 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.303 -6.563 -6.083 1.00 0.00 H new ATOM 995 N MET A 65 -6.727 -0.457 -1.558 1.00 0.00 N ATOM 996 CA MET A 65 -7.864 0.402 -1.864 1.00 0.00 C ATOM 997 C MET A 65 -7.465 1.507 -2.836 1.00 0.00 C ATOM 998 O MET A 65 -6.424 2.145 -2.672 1.00 0.00 O ATOM 999 CB MET A 65 -8.428 1.015 -0.580 1.00 0.00 C ATOM 1000 CG MET A 65 -9.804 1.636 -0.756 1.00 0.00 C ATOM 1001 SD MET A 65 -10.532 2.167 0.806 1.00 0.00 S ATOM 1002 CE MET A 65 -10.890 3.884 0.446 1.00 0.00 C ATOM 0 H MET A 65 -5.844 0.039 -1.437 1.00 0.00 H new ATOM 0 HA MET A 65 -8.633 -0.210 -2.334 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.482 0.243 0.188 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.738 1.777 -0.218 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.729 2.492 -1.427 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.466 0.914 -1.234 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.742 4.483 1.345 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.222 4.238 -0.340 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.924 3.978 0.113 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.297 1.729 -3.847 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.030 2.758 -4.846 1.00 0.00 C ATOM 1014 C ASP A 66 -8.523 4.120 -4.367 1.00 0.00 C ATOM 1015 O ASP A 66 -9.704 4.444 -4.496 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.699 2.397 -6.173 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.305 3.337 -7.295 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.580 4.316 -7.020 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -8.722 3.095 -8.447 1.00 0.00 O ATOM 0 H ASP A 66 -9.162 1.210 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.952 2.814 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.430 1.377 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.782 2.418 -6.048 1.00 0.00 H new ATOM 1024 N SER A 67 -7.612 4.913 -3.814 1.00 0.00 N ATOM 1025 CA SER A 67 -7.955 6.238 -3.311 1.00 0.00 C ATOM 1026 C SER A 67 -8.581 7.090 -4.411 1.00 0.00 C ATOM 1027 O SER A 67 -9.328 8.031 -4.135 1.00 0.00 O ATOM 1028 CB SER A 67 -6.711 6.935 -2.757 1.00 0.00 C ATOM 1029 OG SER A 67 -7.053 7.852 -1.733 1.00 0.00 O ATOM 0 H SER A 67 -6.630 4.661 -3.703 1.00 0.00 H new ATOM 0 HA SER A 67 -8.683 6.118 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.017 6.191 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.196 7.459 -3.562 1.00 0.00 H new ATOM 0 HG SER A 67 -7.878 8.322 -1.977 1.00 0.00 H new ATOM 1035 N THR A 68 -8.273 6.755 -5.659 1.00 0.00 N ATOM 1036 CA THR A 68 -8.804 7.489 -6.801 1.00 0.00 C ATOM 1037 C THR A 68 -10.216 7.028 -7.142 1.00 0.00 C ATOM 1038 O THR A 68 -10.977 7.752 -7.783 1.00 0.00 O ATOM 1039 CB THR A 68 -7.907 7.321 -8.043 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.224 6.096 -8.714 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.437 7.325 -7.653 1.00 0.00 C ATOM 0 H THR A 68 -7.658 5.979 -5.905 1.00 0.00 H new ATOM 0 HA THR A 68 -8.827 8.541 -6.518 1.00 0.00 H new ATOM 0 HB THR A 68 -8.091 8.161 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.782 5.349 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.823 7.205 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.192 8.270 -7.168 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.241 6.503 -6.965 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.560 5.820 -6.710 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.883 5.264 -6.967 1.00 0.00 C ATOM 1051 C ALA A 69 -12.764 5.346 -5.725 1.00 0.00 C ATOM 1052 O ALA A 69 -13.990 5.296 -5.818 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.767 3.822 -7.440 1.00 0.00 C ATOM 0 H ALA A 69 -9.941 5.207 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.352 5.856 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.762 3.420 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.182 3.786 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.274 3.226 -6.672 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.131 5.472 -4.563 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.859 5.560 -3.302 1.00 0.00 C ATOM 1061 C ASN A 70 -12.256 6.632 -2.400 1.00 0.00 C ATOM 1062 O ASN A 70 -11.037 6.720 -2.253 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.845 4.208 -2.586 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.214 3.062 -3.508 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.393 2.772 -3.714 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.206 2.402 -4.066 1.00 0.00 N ATOM 0 H ASN A 70 -11.116 5.515 -4.468 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.890 5.835 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.853 4.031 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.542 4.236 -1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.394 1.620 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.244 2.677 -3.867 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.118 7.445 -1.798 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.670 8.511 -0.910 1.00 0.00 C ATOM 1075 C GLU A 71 -13.307 8.374 0.470 1.00 0.00 C ATOM 1076 O GLU A 71 -14.509 8.135 0.590 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.010 9.879 -1.508 1.00 0.00 C ATOM 1078 CG GLU A 71 -12.037 10.975 -1.109 1.00 0.00 C ATOM 1079 CD GLU A 71 -10.622 10.700 -1.580 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -10.463 10.111 -2.669 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -9.674 11.073 -0.858 1.00 0.00 O ATOM 0 H GLU A 71 -14.130 7.386 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.589 8.428 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.027 9.797 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.014 10.164 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.376 11.925 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.040 11.081 -0.024 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.493 8.528 1.509 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.975 8.422 2.881 1.00 0.00 C ATOM 1090 C VAL A 72 -12.317 9.465 3.777 1.00 0.00 C ATOM 1091 O VAL A 72 -11.136 9.773 3.622 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.711 7.021 3.462 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.602 5.987 2.792 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.243 6.650 3.310 1.00 0.00 C ATOM 0 H VAL A 72 -11.496 8.727 1.427 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.050 8.598 2.853 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.951 7.037 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.400 5.003 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.648 6.246 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.397 5.969 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.074 5.657 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.975 6.652 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.627 7.376 3.842 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.090 10.005 4.714 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.581 11.014 5.635 1.00 0.00 C ATOM 1106 C GLU A 73 -11.650 10.387 6.669 1.00 0.00 C ATOM 1107 O GLU A 73 -10.757 11.048 7.198 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.739 11.724 6.340 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.562 10.809 7.231 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.225 11.550 8.375 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -14.533 12.346 9.046 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.434 11.336 8.600 1.00 0.00 O ATOM 0 H GLU A 73 -14.070 9.761 4.855 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.015 11.744 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.341 12.541 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.392 12.170 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.327 10.316 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.919 10.026 7.634 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.866 9.107 6.952 1.00 0.00 N ATOM 1120 CA ALA A 74 -11.046 8.389 7.921 1.00 0.00 C ATOM 1121 C ALA A 74 -9.578 8.395 7.508 1.00 0.00 C ATOM 1122 O ALA A 74 -8.698 8.070 8.306 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.546 6.961 8.080 1.00 0.00 C ATOM 0 H ALA A 74 -12.602 8.545 6.524 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.129 8.900 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.925 6.437 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.579 6.974 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.493 6.448 7.120 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.321 8.766 6.258 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.959 8.814 5.740 1.00 0.00 C ATOM 1131 C VAL A 75 -7.848 9.790 4.574 1.00 0.00 C ATOM 1132 O VAL A 75 -8.481 9.606 3.534 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.484 7.423 5.278 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.187 7.536 4.492 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.315 6.495 6.472 1.00 0.00 C ATOM 0 H VAL A 75 -10.038 9.038 5.585 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.322 9.154 6.557 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.243 6.998 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.867 6.544 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.346 8.164 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.417 7.981 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.979 5.517 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.576 6.913 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.269 6.390 6.989 1.00 0.00 H new ATOM 1145 N LYS A 76 -7.041 10.829 4.754 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.844 11.835 3.717 1.00 0.00 C ATOM 1147 C LYS A 76 -5.529 11.607 2.980 1.00 0.00 C ATOM 1148 O LYS A 76 -4.451 11.856 3.521 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.863 13.238 4.328 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.262 13.783 4.558 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.902 14.244 3.260 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.417 14.127 3.313 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.060 14.684 2.090 1.00 0.00 N ATOM 0 H LYS A 76 -6.512 10.997 5.610 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.661 11.747 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.329 13.219 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.321 13.918 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.882 13.013 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.218 14.617 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.623 15.279 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.519 13.647 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.697 13.079 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.791 14.653 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.093 14.585 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.814 15.690 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.723 14.166 1.254 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.623 11.133 1.741 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.441 10.875 0.929 1.00 0.00 C ATOM 1169 C VAL A 77 -4.253 11.956 -0.129 1.00 0.00 C ATOM 1170 O VAL A 77 -5.162 12.240 -0.911 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.525 9.502 0.235 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.162 9.088 -0.297 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -5.074 8.455 1.192 1.00 0.00 C ATOM 0 H VAL A 77 -6.507 10.920 1.278 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.586 10.881 1.605 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.208 9.582 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.241 8.116 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.813 9.827 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.453 9.024 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.127 7.491 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.418 8.374 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.072 8.748 1.519 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.068 12.558 -0.149 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.760 13.608 -1.113 1.00 0.00 C ATOM 1185 C HIS A 78 -1.566 13.218 -1.979 1.00 0.00 C ATOM 1186 O HIS A 78 -0.865 14.079 -2.511 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.472 14.924 -0.390 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.555 15.335 0.560 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -4.829 15.669 0.151 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -3.548 15.463 1.908 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -5.558 15.986 1.206 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -4.805 15.868 2.285 1.00 0.00 N ATOM 0 H HIS A 78 -2.306 12.337 0.491 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.628 13.739 -1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.535 14.830 0.159 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.330 15.712 -1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -2.710 15.281 2.564 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.594 16.290 1.189 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.108 16.048 3.242 1.00 0.00 H new ATOM 1201 N SER A 79 -1.340 11.916 -2.115 1.00 0.00 N ATOM 1202 CA SER A 79 -0.228 11.412 -2.913 1.00 0.00 C ATOM 1203 C SER A 79 -0.321 9.898 -3.079 1.00 0.00 C ATOM 1204 O SER A 79 -1.130 9.239 -2.427 1.00 0.00 O ATOM 1205 CB SER A 79 1.105 11.784 -2.260 1.00 0.00 C ATOM 1206 OG SER A 79 2.120 11.952 -3.234 1.00 0.00 O ATOM 0 H SER A 79 -1.912 11.190 -1.683 1.00 0.00 H new ATOM 0 HA SER A 79 -0.282 11.872 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.989 12.705 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.398 11.006 -1.555 1.00 0.00 H new ATOM 0 HG SER A 79 2.961 12.191 -2.792 1.00 0.00 H new ATOM 1212 N PHE A 80 0.514 9.354 -3.958 1.00 0.00 N ATOM 1213 CA PHE A 80 0.527 7.918 -4.212 1.00 0.00 C ATOM 1214 C PHE A 80 1.824 7.498 -4.898 1.00 0.00 C ATOM 1215 O PHE A 80 2.454 8.273 -5.618 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.672 7.521 -5.077 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.946 8.214 -4.689 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.749 7.705 -3.682 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.342 9.376 -5.333 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.922 8.341 -3.322 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.514 10.016 -4.978 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.306 9.498 -3.972 1.00 0.00 C ATOM 0 H PHE A 80 1.190 9.886 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 80 0.461 7.404 -3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.448 7.746 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.819 6.443 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.455 6.800 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.728 9.786 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.538 7.934 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.811 10.921 -5.487 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.223 9.996 -3.694 1.00 0.00 H new ATOM 1232 N PRO A 81 2.234 6.242 -4.669 1.00 0.00 N ATOM 1233 CA PRO A 81 1.493 5.311 -3.813 1.00 0.00 C ATOM 1234 C PRO A 81 1.553 5.703 -2.341 1.00 0.00 C ATOM 1235 O PRO A 81 2.560 6.233 -1.869 1.00 0.00 O ATOM 1236 CB PRO A 81 2.206 3.975 -4.041 1.00 0.00 C ATOM 1237 CG PRO A 81 3.586 4.349 -4.457 1.00 0.00 C ATOM 1238 CD PRO A 81 3.453 5.634 -5.227 1.00 0.00 C ATOM 0 HA PRO A 81 0.431 5.290 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.216 3.372 -3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.707 3.386 -4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.233 4.479 -3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.032 3.569 -5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.322 6.277 -5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.358 5.453 -6.298 1.00 0.00 H new ATOM 1246 N THR A 82 0.470 5.439 -1.617 1.00 0.00 N ATOM 1247 CA THR A 82 0.400 5.765 -0.198 1.00 0.00 C ATOM 1248 C THR A 82 0.014 4.543 0.628 1.00 0.00 C ATOM 1249 O THR A 82 -0.996 3.892 0.357 1.00 0.00 O ATOM 1250 CB THR A 82 -0.614 6.893 0.069 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.136 8.123 -0.485 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.854 7.062 1.562 1.00 0.00 C ATOM 0 H THR A 82 -0.371 5.000 -1.990 1.00 0.00 H new ATOM 0 HA THR A 82 1.393 6.102 0.099 1.00 0.00 H new ATOM 0 HB THR A 82 -1.557 6.624 -0.406 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.456 8.213 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.573 7.864 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.246 6.133 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.085 7.311 2.056 1.00 0.00 H new ATOM 1260 N LEU A 83 0.822 4.238 1.636 1.00 0.00 N ATOM 1261 CA LEU A 83 0.565 3.093 2.504 1.00 0.00 C ATOM 1262 C LEU A 83 0.267 3.547 3.929 1.00 0.00 C ATOM 1263 O LEU A 83 0.892 4.476 4.441 1.00 0.00 O ATOM 1264 CB LEU A 83 1.765 2.144 2.499 1.00 0.00 C ATOM 1265 CG LEU A 83 2.382 1.850 1.132 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.673 1.062 1.287 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.396 1.093 0.254 1.00 0.00 C ATOM 0 H LEU A 83 1.661 4.767 1.873 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.308 2.566 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.538 2.565 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.458 1.199 2.947 1.00 0.00 H new ATOM 0 HG LEU A 83 2.615 2.799 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.098 0.862 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.383 1.640 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.465 0.118 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.852 0.892 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.132 0.150 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.497 1.694 0.115 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.692 2.884 4.567 1.00 0.00 N ATOM 1280 CA LYS A 84 -1.072 3.216 5.935 1.00 0.00 C ATOM 1281 C LYS A 84 -1.338 1.952 6.748 1.00 0.00 C ATOM 1282 O LYS A 84 -2.179 1.131 6.380 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.315 4.108 5.939 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.174 5.352 5.079 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.986 6.509 5.635 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.841 7.756 4.775 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.448 8.281 4.791 1.00 0.00 N ATOM 0 H LYS A 84 -1.220 2.113 4.158 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.244 3.755 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.169 3.529 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.533 4.408 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.124 5.638 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.501 5.132 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.037 6.224 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.661 6.727 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.131 7.526 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.524 8.526 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.443 9.262 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.078 8.253 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.849 7.695 4.175 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.616 1.803 7.854 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.775 0.639 8.718 1.00 0.00 C ATOM 1303 C PHE A 85 -1.787 0.919 9.826 1.00 0.00 C ATOM 1304 O PHE A 85 -1.691 1.923 10.531 1.00 0.00 O ATOM 1305 CB PHE A 85 0.571 0.244 9.329 1.00 0.00 C ATOM 1306 CG PHE A 85 0.460 -0.809 10.394 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.262 -0.456 11.719 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.554 -2.153 10.070 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.159 -1.423 12.701 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.452 -3.125 11.047 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.255 -2.759 12.365 1.00 0.00 C ATOM 0 H PHE A 85 0.084 2.473 8.173 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.147 -0.186 8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.228 -0.118 8.538 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.042 1.130 9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.187 0.587 11.988 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.709 -2.444 9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.004 -1.134 13.730 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.526 -4.169 10.781 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.176 -3.516 13.131 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.757 0.022 9.972 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.788 0.172 10.993 1.00 0.00 C ATOM 1323 C PHE A 86 -3.569 -0.814 12.136 1.00 0.00 C ATOM 1324 O PHE A 86 -3.711 -2.027 11.979 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.175 -0.039 10.381 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.464 0.874 9.224 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.693 2.004 9.005 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.509 0.602 8.354 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.957 2.845 7.941 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.777 1.440 7.288 1.00 0.00 C ATOM 1331 CZ PHE A 86 -6.001 2.563 7.082 1.00 0.00 C ATOM 0 H PHE A 86 -2.851 -0.815 9.397 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.724 1.184 11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.263 -1.073 10.048 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.931 0.114 11.152 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.876 2.230 9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.120 -0.274 8.511 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.347 3.722 7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.593 1.216 6.617 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.210 3.220 6.251 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.215 -0.283 13.315 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.968 -1.098 14.509 1.00 0.00 C ATOM 1343 C PRO A 87 -4.247 -1.718 15.062 1.00 0.00 C ATOM 1344 O PRO A 87 -5.351 -1.301 14.713 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.385 -0.096 15.508 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.915 1.226 15.073 1.00 0.00 C ATOM 1347 CD PRO A 87 -3.028 1.155 13.575 1.00 0.00 C ATOM 0 HA PRO A 87 -2.311 -1.942 14.298 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.692 -0.329 16.527 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.295 -0.110 15.492 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.885 1.426 15.528 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.248 2.033 15.376 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.869 1.743 13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.133 1.539 13.086 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.090 -2.715 15.926 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.232 -3.391 16.528 1.00 0.00 C ATOM 1357 C ALA A 88 -5.816 -2.568 17.672 1.00 0.00 C ATOM 1358 O ALA A 88 -5.976 -3.063 18.787 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.828 -4.772 17.023 1.00 0.00 C ATOM 0 H ALA A 88 -3.183 -3.073 16.225 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.001 -3.502 15.764 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.691 -5.265 17.470 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.464 -5.367 16.185 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.039 -4.675 17.769 1.00 0.00 H new ATOM 1365 N SER A 89 -6.133 -1.309 17.387 1.00 0.00 N ATOM 1366 CA SER A 89 -6.695 -0.416 18.393 1.00 0.00 C ATOM 1367 C SER A 89 -8.190 -0.214 18.165 1.00 0.00 C ATOM 1368 O SER A 89 -8.613 0.220 17.094 1.00 0.00 O ATOM 1369 CB SER A 89 -5.977 0.935 18.365 1.00 0.00 C ATOM 1370 OG SER A 89 -4.844 0.927 19.217 1.00 0.00 O ATOM 0 H SER A 89 -6.010 -0.885 16.468 1.00 0.00 H new ATOM 0 HA SER A 89 -6.552 -0.875 19.371 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.668 1.165 17.345 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.664 1.722 18.675 1.00 0.00 H new ATOM 0 HG SER A 89 -4.401 1.800 19.181 1.00 0.00 H new ATOM 1376 N ALA A 90 -8.985 -0.531 19.182 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.433 -0.383 19.094 1.00 0.00 C ATOM 1378 C ALA A 90 -10.811 0.922 18.402 1.00 0.00 C ATOM 1379 O ALA A 90 -11.899 1.046 17.841 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.054 -0.446 20.482 1.00 0.00 C ATOM 0 H ALA A 90 -8.651 -0.892 20.076 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.822 -1.206 18.495 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.135 -0.334 20.402 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.821 -1.407 20.941 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.651 0.358 21.098 1.00 0.00 H new ATOM 1386 N ASP A 91 -9.905 1.893 18.446 1.00 0.00 N ATOM 1387 CA ASP A 91 -10.143 3.190 17.823 1.00 0.00 C ATOM 1388 C ASP A 91 -9.731 3.171 16.354 1.00 0.00 C ATOM 1389 O ASP A 91 -9.277 2.148 15.840 1.00 0.00 O ATOM 1390 CB ASP A 91 -9.378 4.286 18.566 1.00 0.00 C ATOM 1391 CG ASP A 91 -9.785 4.390 20.023 1.00 0.00 C ATOM 1392 OD1 ASP A 91 -10.887 4.910 20.295 1.00 0.00 O ATOM 1393 OD2 ASP A 91 -9.001 3.952 20.891 1.00 0.00 O ATOM 0 H ASP A 91 -8.999 1.806 18.907 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.211 3.402 17.880 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.309 4.085 18.504 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.551 5.243 18.074 1.00 0.00 H new ATOM 1398 N ARG A 92 -9.892 4.307 15.685 1.00 0.00 N ATOM 1399 CA ARG A 92 -9.538 4.420 14.275 1.00 0.00 C ATOM 1400 C ARG A 92 -8.170 5.075 14.108 1.00 0.00 C ATOM 1401 O ARG A 92 -8.052 6.150 13.519 1.00 0.00 O ATOM 1402 CB ARG A 92 -10.598 5.229 13.525 1.00 0.00 C ATOM 1403 CG ARG A 92 -10.621 6.701 13.903 1.00 0.00 C ATOM 1404 CD ARG A 92 -12.017 7.289 13.770 1.00 0.00 C ATOM 1405 NE ARG A 92 -12.256 7.835 12.437 1.00 0.00 N ATOM 1406 CZ ARG A 92 -13.313 8.578 12.125 1.00 0.00 C ATOM 1407 NH1 ARG A 92 -14.223 8.861 13.047 1.00 0.00 N ATOM 1408 NH2 ARG A 92 -13.461 9.039 10.890 1.00 0.00 N ATOM 0 H ARG A 92 -10.265 5.163 16.096 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.493 3.415 13.856 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.419 5.141 12.453 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.579 4.797 13.721 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.271 6.820 14.929 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.931 7.252 13.265 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.757 6.518 13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.152 8.075 14.513 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.574 7.635 11.705 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.113 8.508 13.998 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.033 9.431 12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.763 8.823 10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.273 9.609 10.652 1.00 0.00 H new ATOM 1422 N THR A 93 -7.138 4.421 14.632 1.00 0.00 N ATOM 1423 CA THR A 93 -5.779 4.939 14.543 1.00 0.00 C ATOM 1424 C THR A 93 -5.106 4.499 13.248 1.00 0.00 C ATOM 1425 O THR A 93 -5.295 3.371 12.791 1.00 0.00 O ATOM 1426 CB THR A 93 -4.923 4.477 15.737 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.502 4.937 16.963 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.499 5.000 15.616 1.00 0.00 C ATOM 0 H THR A 93 -7.218 3.531 15.123 1.00 0.00 H new ATOM 0 HA THR A 93 -5.853 6.026 14.558 1.00 0.00 H new ATOM 0 HB THR A 93 -4.895 3.387 15.735 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.952 4.637 17.717 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.913 4.661 16.470 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.050 4.624 14.696 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.512 6.090 15.594 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.320 5.395 12.661 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.616 5.097 11.419 1.00 0.00 C ATOM 1438 C VAL A 94 -2.137 5.451 11.526 1.00 0.00 C ATOM 1439 O VAL A 94 -1.779 6.523 12.015 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.230 5.860 10.230 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.272 5.869 9.049 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.567 5.248 9.838 1.00 0.00 C ATOM 0 H VAL A 94 -4.154 6.333 13.025 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.718 4.026 11.247 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.404 6.892 10.534 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.723 6.412 8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.341 6.357 9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.064 4.844 8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.987 5.799 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.421 4.206 9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.253 5.300 10.684 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.283 4.543 11.067 1.00 0.00 N ATOM 1453 CA ILE A 95 0.158 4.760 11.110 1.00 0.00 C ATOM 1454 C ILE A 95 0.723 4.976 9.710 1.00 0.00 C ATOM 1455 O ILE A 95 0.354 4.279 8.766 1.00 0.00 O ATOM 1456 CB ILE A 95 0.886 3.574 11.768 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.486 3.455 13.240 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.393 3.738 11.635 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.261 2.396 13.994 1.00 0.00 C ATOM 0 H ILE A 95 -1.563 3.650 10.661 1.00 0.00 H new ATOM 0 HA ILE A 95 0.325 5.655 11.709 1.00 0.00 H new ATOM 0 HB ILE A 95 0.593 2.657 11.256 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.635 4.419 13.727 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.578 3.228 13.302 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.894 2.892 12.105 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.663 3.779 10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.703 4.661 12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.925 2.368 15.030 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.093 1.423 13.531 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.325 2.633 13.964 1.00 0.00 H new ATOM 1471 N ASP A 96 1.623 5.946 9.585 1.00 0.00 N ATOM 1472 CA ASP A 96 2.242 6.253 8.301 1.00 0.00 C ATOM 1473 C ASP A 96 3.421 5.323 8.031 1.00 0.00 C ATOM 1474 O ASP A 96 4.213 5.031 8.927 1.00 0.00 O ATOM 1475 CB ASP A 96 2.708 7.709 8.270 1.00 0.00 C ATOM 1476 CG ASP A 96 1.553 8.685 8.161 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.664 8.460 7.313 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.536 9.672 8.925 1.00 0.00 O ATOM 0 H ASP A 96 1.940 6.533 10.357 1.00 0.00 H new ATOM 0 HA ASP A 96 1.496 6.102 7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.278 7.924 9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.383 7.853 7.426 1.00 0.00 H new ATOM 1483 N TYR A 97 3.531 4.860 6.790 1.00 0.00 N ATOM 1484 CA TYR A 97 4.610 3.960 6.403 1.00 0.00 C ATOM 1485 C TYR A 97 5.682 4.704 5.611 1.00 0.00 C ATOM 1486 O TYR A 97 5.472 5.073 4.457 1.00 0.00 O ATOM 1487 CB TYR A 97 4.061 2.799 5.573 1.00 0.00 C ATOM 1488 CG TYR A 97 5.101 1.755 5.230 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.986 1.948 4.177 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.196 0.576 5.959 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.936 0.997 3.859 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.145 -0.379 5.650 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.012 -0.165 4.599 1.00 0.00 C ATOM 1494 OH TYR A 97 7.957 -1.115 4.287 1.00 0.00 O ATOM 0 H TYR A 97 2.886 5.094 6.035 1.00 0.00 H new ATOM 0 HA TYR A 97 5.063 3.565 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.248 2.323 6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.635 3.193 4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.930 2.857 3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.517 0.403 6.781 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.615 1.162 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.208 -1.289 6.229 1.00 0.00 H new ATOM 0 HH TYR A 97 7.602 -1.716 3.600 1.00 0.00 H new ATOM 1504 N ASN A 98 6.831 4.921 6.243 1.00 0.00 N ATOM 1505 CA ASN A 98 7.937 5.620 5.599 1.00 0.00 C ATOM 1506 C ASN A 98 9.197 4.760 5.595 1.00 0.00 C ATOM 1507 O ASN A 98 10.190 5.091 6.241 1.00 0.00 O ATOM 1508 CB ASN A 98 8.214 6.946 6.312 1.00 0.00 C ATOM 1509 CG ASN A 98 7.169 7.999 5.999 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.078 8.484 4.871 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.374 8.359 7.000 1.00 0.00 N ATOM 0 H ASN A 98 7.020 4.623 7.200 1.00 0.00 H new ATOM 0 HA ASN A 98 7.653 5.822 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.245 6.777 7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.197 7.315 6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.652 9.064 6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.485 7.931 7.919 1.00 0.00 H new ATOM 1518 N GLY A 99 9.148 3.652 4.860 1.00 0.00 N ATOM 1519 CA GLY A 99 10.290 2.761 4.785 1.00 0.00 C ATOM 1520 C GLY A 99 10.791 2.579 3.366 1.00 0.00 C ATOM 1521 O GLY A 99 10.633 3.465 2.527 1.00 0.00 O ATOM 0 H GLY A 99 8.338 3.357 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.096 3.155 5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.017 1.790 5.198 1.00 0.00 H new ATOM 1525 N GLU A 100 11.399 1.428 3.097 1.00 0.00 N ATOM 1526 CA GLU A 100 11.927 1.135 1.770 1.00 0.00 C ATOM 1527 C GLU A 100 10.796 0.969 0.759 1.00 0.00 C ATOM 1528 O GLU A 100 10.934 1.336 -0.408 1.00 0.00 O ATOM 1529 CB GLU A 100 12.783 -0.133 1.806 1.00 0.00 C ATOM 1530 CG GLU A 100 12.061 -1.339 2.383 1.00 0.00 C ATOM 1531 CD GLU A 100 13.009 -2.337 3.020 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.455 -2.088 4.159 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.304 -3.367 2.378 1.00 0.00 O ATOM 0 H GLU A 100 11.538 0.684 3.780 1.00 0.00 H new ATOM 0 HA GLU A 100 12.548 1.976 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.113 -0.368 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.679 0.060 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.339 -1.004 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.497 -1.833 1.592 1.00 0.00 H new ATOM 1540 N ARG A 101 9.678 0.414 1.216 1.00 0.00 N ATOM 1541 CA ARG A 101 8.524 0.198 0.352 1.00 0.00 C ATOM 1542 C ARG A 101 8.765 -0.973 -0.595 1.00 0.00 C ATOM 1543 O ARG A 101 8.502 -0.881 -1.795 1.00 0.00 O ATOM 1544 CB ARG A 101 8.218 1.464 -0.452 1.00 0.00 C ATOM 1545 CG ARG A 101 6.772 1.558 -0.912 1.00 0.00 C ATOM 1546 CD ARG A 101 6.583 2.672 -1.930 1.00 0.00 C ATOM 1547 NE ARG A 101 6.427 3.976 -1.291 1.00 0.00 N ATOM 1548 CZ ARG A 101 5.265 4.443 -0.849 1.00 0.00 C ATOM 1549 NH1 ARG A 101 4.163 3.716 -0.974 1.00 0.00 N ATOM 1550 NH2 ARG A 101 5.203 5.640 -0.279 1.00 0.00 N ATOM 0 H ARG A 101 9.547 0.106 2.180 1.00 0.00 H new ATOM 0 HA ARG A 101 7.668 -0.039 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.454 2.337 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.871 1.497 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.466 0.608 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.126 1.736 -0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.440 2.698 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.705 2.460 -2.541 1.00 0.00 H new ATOM 0 HE ARG A 101 7.256 4.560 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.206 2.795 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.272 4.078 -0.633 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.048 6.202 -0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.310 5.998 0.060 1.00 0.00 H new ATOM 1564 N THR A 102 9.268 -2.076 -0.048 1.00 0.00 N ATOM 1565 CA THR A 102 9.546 -3.265 -0.843 1.00 0.00 C ATOM 1566 C THR A 102 8.872 -4.495 -0.248 1.00 0.00 C ATOM 1567 O THR A 102 8.404 -4.469 0.891 1.00 0.00 O ATOM 1568 CB THR A 102 11.060 -3.526 -0.953 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.622 -3.704 0.352 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.759 -2.373 -1.658 1.00 0.00 C ATOM 0 H THR A 102 9.491 -2.170 0.943 1.00 0.00 H new ATOM 0 HA THR A 102 9.143 -3.080 -1.839 1.00 0.00 H new ATOM 0 HB THR A 102 11.208 -4.433 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.471 -3.219 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.827 -2.580 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.349 -2.258 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.602 -1.453 -1.095 1.00 0.00 H new ATOM 1578 N LEU A 103 8.825 -5.572 -1.024 1.00 0.00 N ATOM 1579 CA LEU A 103 8.207 -6.815 -0.572 1.00 0.00 C ATOM 1580 C LEU A 103 8.835 -7.291 0.734 1.00 0.00 C ATOM 1581 O LEU A 103 8.132 -7.674 1.669 1.00 0.00 O ATOM 1582 CB LEU A 103 8.349 -7.897 -1.644 1.00 0.00 C ATOM 1583 CG LEU A 103 7.763 -9.266 -1.298 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.251 -9.178 -1.151 1.00 0.00 C ATOM 1585 CD2 LEU A 103 8.139 -10.291 -2.357 1.00 0.00 C ATOM 0 H LEU A 103 9.207 -5.610 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 103 7.148 -6.623 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.872 -7.540 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.409 -8.023 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 103 8.182 -9.588 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.852 -10.162 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.003 -8.476 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.814 -8.833 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.713 -11.259 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.749 -9.974 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.224 -10.375 -2.413 1.00 0.00 H new ATOM 1597 N ASP A 104 10.162 -7.263 0.791 1.00 0.00 N ATOM 1598 CA ASP A 104 10.885 -7.689 1.983 1.00 0.00 C ATOM 1599 C ASP A 104 10.841 -6.610 3.060 1.00 0.00 C ATOM 1600 O ASP A 104 10.851 -6.909 4.254 1.00 0.00 O ATOM 1601 CB ASP A 104 12.337 -8.019 1.634 1.00 0.00 C ATOM 1602 CG ASP A 104 12.934 -9.059 2.562 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.157 -9.788 3.215 1.00 0.00 O ATOM 1604 OD2 ASP A 104 14.177 -9.146 2.635 1.00 0.00 O ATOM 0 H ASP A 104 10.759 -6.950 0.025 1.00 0.00 H new ATOM 0 HA ASP A 104 10.400 -8.585 2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.387 -8.381 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.935 -7.109 1.681 1.00 0.00 H new ATOM 1609 N GLY A 105 10.792 -5.353 2.630 1.00 0.00 N ATOM 1610 CA GLY A 105 10.748 -4.248 3.570 1.00 0.00 C ATOM 1611 C GLY A 105 9.440 -4.187 4.332 1.00 0.00 C ATOM 1612 O GLY A 105 9.420 -3.874 5.523 1.00 0.00 O ATOM 0 H GLY A 105 10.782 -5.080 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.572 -4.343 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.896 -3.311 3.032 1.00 0.00 H new ATOM 1616 N PHE A 106 8.342 -4.485 3.645 1.00 0.00 N ATOM 1617 CA PHE A 106 7.022 -4.460 4.264 1.00 0.00 C ATOM 1618 C PHE A 106 6.958 -5.420 5.448 1.00 0.00 C ATOM 1619 O PHE A 106 6.492 -5.061 6.529 1.00 0.00 O ATOM 1620 CB PHE A 106 5.947 -4.825 3.238 1.00 0.00 C ATOM 1621 CG PHE A 106 5.816 -3.825 2.125 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.740 -2.469 2.400 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.769 -4.240 0.804 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.619 -1.546 1.378 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.648 -3.322 -0.222 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.574 -1.973 0.065 1.00 0.00 C ATOM 0 H PHE A 106 8.340 -4.747 2.659 1.00 0.00 H new ATOM 0 HA PHE A 106 6.838 -3.449 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.179 -5.802 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.987 -4.918 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.776 -2.129 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.828 -5.293 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.560 -0.492 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.611 -3.659 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.481 -1.254 -0.735 1.00 0.00 H new ATOM 1636 N LYS A 107 7.429 -6.645 5.235 1.00 0.00 N ATOM 1637 CA LYS A 107 7.427 -7.659 6.282 1.00 0.00 C ATOM 1638 C LYS A 107 8.124 -7.145 7.538 1.00 0.00 C ATOM 1639 O LYS A 107 7.643 -7.344 8.653 1.00 0.00 O ATOM 1640 CB LYS A 107 8.116 -8.933 5.788 1.00 0.00 C ATOM 1641 CG LYS A 107 7.799 -9.275 4.343 1.00 0.00 C ATOM 1642 CD LYS A 107 7.948 -10.763 4.076 1.00 0.00 C ATOM 1643 CE LYS A 107 8.275 -11.038 2.617 1.00 0.00 C ATOM 1644 NZ LYS A 107 9.744 -11.049 2.370 1.00 0.00 N ATOM 0 H LYS A 107 7.817 -6.959 4.346 1.00 0.00 H new ATOM 0 HA LYS A 107 6.391 -7.887 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.194 -8.818 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.818 -9.767 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.781 -8.963 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.463 -8.718 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.736 -11.170 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.025 -11.276 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.850 -11.998 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.807 -10.279 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.948 -10.577 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.229 -10.546 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.082 -12.032 2.332 1.00 0.00 H new ATOM 1658 N LYS A 108 9.260 -6.482 7.349 1.00 0.00 N ATOM 1659 CA LYS A 108 10.023 -5.937 8.466 1.00 0.00 C ATOM 1660 C LYS A 108 9.154 -5.023 9.324 1.00 0.00 C ATOM 1661 O LYS A 108 9.140 -5.134 10.550 1.00 0.00 O ATOM 1662 CB LYS A 108 11.240 -5.164 7.950 1.00 0.00 C ATOM 1663 CG LYS A 108 12.089 -5.953 6.969 1.00 0.00 C ATOM 1664 CD LYS A 108 13.551 -5.545 7.044 1.00 0.00 C ATOM 1665 CE LYS A 108 13.821 -4.287 6.232 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.270 -4.119 5.934 1.00 0.00 N ATOM 0 H LYS A 108 9.673 -6.309 6.432 1.00 0.00 H new ATOM 0 HA LYS A 108 10.363 -6.770 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.900 -4.247 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.859 -4.869 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.996 -7.018 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.718 -5.796 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.829 -5.375 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.176 -6.358 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.261 -4.331 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.460 -3.417 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.412 -3.251 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.802 -4.052 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.609 -4.937 5.389 1.00 0.00 H new ATOM 1680 N PHE A 109 8.428 -4.120 8.671 1.00 0.00 N ATOM 1681 CA PHE A 109 7.556 -3.187 9.375 1.00 0.00 C ATOM 1682 C PHE A 109 6.435 -3.930 10.097 1.00 0.00 C ATOM 1683 O PHE A 109 6.167 -3.681 11.273 1.00 0.00 O ATOM 1684 CB PHE A 109 6.962 -2.174 8.395 1.00 0.00 C ATOM 1685 CG PHE A 109 6.082 -1.149 9.052 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.619 0.024 9.556 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.717 -1.359 9.165 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.812 0.968 10.162 1.00 0.00 C ATOM 1689 CE2 PHE A 109 3.904 -0.418 9.769 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.452 0.747 10.267 1.00 0.00 C ATOM 0 H PHE A 109 8.427 -4.015 7.656 1.00 0.00 H new ATOM 0 HA PHE A 109 8.154 -2.658 10.117 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.773 -1.665 7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.384 -2.707 7.640 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.681 0.203 9.474 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.283 -2.269 8.777 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.244 1.877 10.553 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.842 -0.594 9.851 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.819 1.484 10.738 1.00 0.00 H new ATOM 1700 N LEU A 110 5.784 -4.843 9.385 1.00 0.00 N ATOM 1701 CA LEU A 110 4.691 -5.622 9.957 1.00 0.00 C ATOM 1702 C LEU A 110 5.181 -6.468 11.128 1.00 0.00 C ATOM 1703 O LEU A 110 4.760 -6.270 12.267 1.00 0.00 O ATOM 1704 CB LEU A 110 4.067 -6.522 8.888 1.00 0.00 C ATOM 1705 CG LEU A 110 3.404 -5.806 7.712 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.140 -6.780 6.574 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.111 -5.136 8.154 1.00 0.00 C ATOM 0 H LEU A 110 5.994 -5.062 8.411 1.00 0.00 H new ATOM 0 HA LEU A 110 3.935 -4.928 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.843 -7.179 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.323 -7.158 9.367 1.00 0.00 H new ATOM 0 HG LEU A 110 4.084 -5.034 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.668 -6.252 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.083 -7.212 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.480 -7.575 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.653 -4.631 7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.425 -5.889 8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.327 -4.407 8.935 1.00 0.00 H new ATOM 1719 N GLU A 111 6.073 -7.410 10.838 1.00 0.00 N ATOM 1720 CA GLU A 111 6.621 -8.285 11.869 1.00 0.00 C ATOM 1721 C GLU A 111 6.817 -7.527 13.178 1.00 0.00 C ATOM 1722 O GLU A 111 6.616 -8.075 14.262 1.00 0.00 O ATOM 1723 CB GLU A 111 7.952 -8.882 11.407 1.00 0.00 C ATOM 1724 CG GLU A 111 7.801 -9.959 10.346 1.00 0.00 C ATOM 1725 CD GLU A 111 8.905 -10.997 10.407 1.00 0.00 C ATOM 1726 OE1 GLU A 111 8.742 -11.994 11.140 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.932 -10.811 9.720 1.00 0.00 O ATOM 0 H GLU A 111 6.431 -7.587 9.900 1.00 0.00 H new ATOM 0 HA GLU A 111 5.909 -9.092 12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.582 -8.084 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.470 -9.303 12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.837 -10.452 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.798 -9.494 9.360 1.00 0.00 H new ATOM 1734 N SER A 112 7.213 -6.263 13.069 1.00 0.00 N ATOM 1735 CA SER A 112 7.442 -5.430 14.244 1.00 0.00 C ATOM 1736 C SER A 112 6.123 -5.084 14.930 1.00 0.00 C ATOM 1737 O SER A 112 6.008 -5.158 16.152 1.00 0.00 O ATOM 1738 CB SER A 112 8.177 -4.147 13.851 1.00 0.00 C ATOM 1739 OG SER A 112 9.407 -4.440 13.212 1.00 0.00 O ATOM 0 H SER A 112 7.382 -5.793 12.179 1.00 0.00 H new ATOM 0 HA SER A 112 8.059 -5.994 14.944 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.550 -3.554 13.185 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.360 -3.542 14.739 1.00 0.00 H new ATOM 0 HG SER A 112 9.241 -4.679 12.276 1.00 0.00 H new ATOM 1745 N GLY A 113 5.130 -4.705 14.132 1.00 0.00 N ATOM 1746 CA GLY A 113 3.832 -4.353 14.678 1.00 0.00 C ATOM 1747 C GLY A 113 3.512 -2.881 14.510 1.00 0.00 C ATOM 1748 O GLY A 113 2.826 -2.289 15.342 1.00 0.00 O ATOM 0 H GLY A 113 5.201 -4.635 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.061 -4.947 14.187 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.805 -4.609 15.737 1.00 0.00 H new ATOM 1752 N GLY A 114 4.013 -2.287 13.430 1.00 0.00 N ATOM 1753 CA GLY A 114 3.767 -0.880 13.177 1.00 0.00 C ATOM 1754 C GLY A 114 4.608 0.023 14.057 1.00 0.00 C ATOM 1755 O GLY A 114 4.097 0.975 14.647 1.00 0.00 O ATOM 0 H GLY A 114 4.584 -2.756 12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.977 -0.660 12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.712 -0.663 13.343 1.00 0.00 H new ATOM 1759 N GLN A 115 5.899 -0.276 14.148 1.00 0.00 N ATOM 1760 CA GLN A 115 6.811 0.515 14.965 1.00 0.00 C ATOM 1761 C GLN A 115 7.226 1.790 14.239 1.00 0.00 C ATOM 1762 O GLN A 115 8.227 1.810 13.522 1.00 0.00 O ATOM 1763 CB GLN A 115 8.050 -0.307 15.326 1.00 0.00 C ATOM 1764 CG GLN A 115 7.816 -1.294 16.458 1.00 0.00 C ATOM 1765 CD GLN A 115 9.081 -1.600 17.236 1.00 0.00 C ATOM 1766 OE1 GLN A 115 9.724 -0.700 17.777 1.00 0.00 O ATOM 1767 NE2 GLN A 115 9.446 -2.876 17.296 1.00 0.00 N ATOM 0 H GLN A 115 6.337 -1.061 13.666 1.00 0.00 H new ATOM 0 HA GLN A 115 6.289 0.794 15.881 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.384 -0.852 14.443 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.856 0.371 15.607 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.065 -0.891 17.137 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.412 -2.220 16.050 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.883 -3.590 16.833 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.289 -3.142 17.805 1.00 0.00 H new ATOM 1776 N SER A 116 6.451 2.853 14.429 1.00 0.00 N ATOM 1777 CA SER A 116 6.735 4.131 13.789 1.00 0.00 C ATOM 1778 C SER A 116 7.689 4.965 14.639 1.00 0.00 C ATOM 1779 O SER A 116 7.525 5.069 15.854 1.00 0.00 O ATOM 1780 CB SER A 116 5.438 4.906 13.549 1.00 0.00 C ATOM 1781 OG SER A 116 4.714 5.074 14.756 1.00 0.00 O ATOM 0 H SER A 116 5.621 2.854 15.022 1.00 0.00 H new ATOM 0 HA SER A 116 7.212 3.930 12.830 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.667 5.881 13.120 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.822 4.375 12.823 1.00 0.00 H new ATOM 0 HG SER A 116 3.890 5.574 14.577 1.00 0.00 H new ATOM 1787 N GLY A 117 8.688 5.556 13.991 1.00 0.00 N ATOM 1788 CA GLY A 117 9.654 6.373 14.702 1.00 0.00 C ATOM 1789 C GLY A 117 10.093 5.744 16.010 1.00 0.00 C ATOM 1790 O GLY A 117 10.079 4.524 16.172 1.00 0.00 O ATOM 0 H GLY A 117 8.846 5.484 12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.526 6.533 14.068 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.220 7.353 14.901 1.00 0.00 H new ATOM 1794 N PRO A 118 10.496 6.589 16.971 1.00 0.00 N ATOM 1795 CA PRO A 118 10.950 6.131 18.287 1.00 0.00 C ATOM 1796 C PRO A 118 9.812 5.562 19.128 1.00 0.00 C ATOM 1797 O PRO A 118 10.011 5.179 20.281 1.00 0.00 O ATOM 1798 CB PRO A 118 11.508 7.402 18.932 1.00 0.00 C ATOM 1799 CG PRO A 118 10.787 8.517 18.256 1.00 0.00 C ATOM 1800 CD PRO A 118 10.538 8.055 16.847 1.00 0.00 C ATOM 0 HA PRO A 118 11.676 5.322 18.208 1.00 0.00 H new ATOM 0 HB2 PRO A 118 11.331 7.411 20.008 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.585 7.480 18.785 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.849 8.741 18.765 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.382 9.430 18.268 1.00 0.00 H new ATOM 0 HD2 PRO A 118 9.602 8.452 16.453 1.00 0.00 H new ATOM 0 HD3 PRO A 118 11.330 8.379 16.172 1.00 0.00 H new ATOM 1808 N SER A 119 8.620 5.509 18.543 1.00 0.00 N ATOM 1809 CA SER A 119 7.449 4.989 19.240 1.00 0.00 C ATOM 1810 C SER A 119 7.233 3.515 18.914 1.00 0.00 C ATOM 1811 O SER A 119 7.617 3.041 17.845 1.00 0.00 O ATOM 1812 CB SER A 119 6.205 5.795 18.861 1.00 0.00 C ATOM 1813 OG SER A 119 5.165 5.600 19.803 1.00 0.00 O ATOM 0 H SER A 119 8.439 5.820 17.588 1.00 0.00 H new ATOM 0 HA SER A 119 7.622 5.084 20.312 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.457 6.854 18.806 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.863 5.497 17.870 1.00 0.00 H new ATOM 0 HG SER A 119 4.382 6.127 19.539 1.00 0.00 H new ATOM 1819 N SER A 120 6.616 2.794 19.844 1.00 0.00 N ATOM 1820 CA SER A 120 6.351 1.372 19.659 1.00 0.00 C ATOM 1821 C SER A 120 4.858 1.078 19.771 1.00 0.00 C ATOM 1822 O SER A 120 4.339 0.848 20.862 1.00 0.00 O ATOM 1823 CB SER A 120 7.122 0.549 20.693 1.00 0.00 C ATOM 1824 OG SER A 120 8.499 0.885 20.688 1.00 0.00 O ATOM 0 H SER A 120 6.290 3.171 20.734 1.00 0.00 H new ATOM 0 HA SER A 120 6.685 1.093 18.660 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.705 0.723 21.685 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.003 -0.513 20.479 1.00 0.00 H new ATOM 0 HG SER A 120 8.969 0.347 21.358 1.00 0.00 H new ATOM 1830 N GLY A 121 4.173 1.088 18.631 1.00 0.00 N ATOM 1831 CA GLY A 121 2.746 0.821 18.621 1.00 0.00 C ATOM 1832 C GLY A 121 2.042 1.389 19.837 1.00 0.00 C ATOM 1833 O GLY A 121 1.544 0.642 20.680 1.00 0.00 O ATOM 0 H GLY A 121 4.580 1.276 17.715 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.306 1.246 17.719 1.00 0.00 H new ATOM 0 HA3 GLY A 121 2.581 -0.256 18.579 1.00 0.00 H new TER 1837 GLY A 121