USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 709 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 72 SER OG : rot 180:sc= -0.0678 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.95 K(o=-1.5,f=-3.8) USER MOD Set 1.3: A 83 SER OG : rot -87:sc= -0.478 USER MOD Set 2.1: A 39 SER OG : rot 85:sc= 0.659 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -3.54 K(o=-2.9,f=-4.3) USER MOD Set 3.1: A 33 MET CE :methyl 156:sc= -4.26 (180deg=-3.47!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -1.34 K(o=-5.6,f=-6.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0633 USER MOD Single : A 11 SER OG : rot 37:sc= 0.559 USER MOD Single : A 14 THR OG1 : rot -162:sc= -0.913 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -133:sc= -0.2 USER MOD Single : A 22 ASN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.426 K(o=-0.43,f=-3!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0797 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -19:sc= 0.651 USER MOD Single : A 36 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.27) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 157:sc= -0.0969 (180deg=-0.648) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.343 K(o=-0.34,f=-0.96) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 0:sc= -1.31 USER MOD Single : A 64 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.35) USER MOD Single : A 66 MET CE :methyl -115:sc= -0.695 (180deg=-3.76!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.26 K(o=-0.26,f=-3.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 52:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.857 -2.355 10.914 1.00 0.00 N ATOM 2 CA GLY A 1 -26.388 -2.281 9.566 1.00 0.00 C ATOM 3 C GLY A 1 -25.680 -3.221 8.611 1.00 0.00 C ATOM 4 O GLY A 1 -24.730 -2.828 7.933 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.374 -1.694 11.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.967 -3.323 11.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.848 -2.101 10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.451 -2.520 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.297 -1.259 9.199 1.00 0.00 H new ATOM 8 N SER A 2 -26.141 -4.466 8.558 1.00 0.00 N ATOM 9 CA SER A 2 -25.541 -5.466 7.683 1.00 0.00 C ATOM 10 C SER A 2 -25.780 -5.119 6.216 1.00 0.00 C ATOM 11 O SER A 2 -26.920 -5.090 5.752 1.00 0.00 O ATOM 12 CB SER A 2 -26.113 -6.852 7.990 1.00 0.00 C ATOM 13 OG SER A 2 -25.457 -7.854 7.232 1.00 0.00 O ATOM 0 H SER A 2 -26.928 -4.806 9.110 1.00 0.00 H new ATOM 0 HA SER A 2 -24.467 -5.475 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.004 -7.066 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.180 -6.865 7.770 1.00 0.00 H new ATOM 0 HG SER A 2 -25.839 -8.730 7.448 1.00 0.00 H new ATOM 19 N SER A 3 -24.696 -4.855 5.493 1.00 0.00 N ATOM 20 CA SER A 3 -24.787 -4.506 4.081 1.00 0.00 C ATOM 21 C SER A 3 -25.214 -5.711 3.249 1.00 0.00 C ATOM 22 O SER A 3 -26.225 -5.670 2.549 1.00 0.00 O ATOM 23 CB SER A 3 -23.443 -3.975 3.578 1.00 0.00 C ATOM 24 OG SER A 3 -23.621 -3.080 2.494 1.00 0.00 O ATOM 0 H SER A 3 -23.745 -4.876 5.862 1.00 0.00 H new ATOM 0 HA SER A 3 -25.542 -3.727 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.922 -3.468 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.813 -4.808 3.266 1.00 0.00 H new ATOM 0 HG SER A 3 -22.748 -2.754 2.192 1.00 0.00 H new ATOM 30 N GLY A 4 -24.434 -6.785 3.330 1.00 0.00 N ATOM 31 CA GLY A 4 -24.747 -7.988 2.581 1.00 0.00 C ATOM 32 C GLY A 4 -23.519 -8.612 1.948 1.00 0.00 C ATOM 33 O GLY A 4 -22.413 -8.086 2.072 1.00 0.00 O ATOM 0 H GLY A 4 -23.591 -6.843 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.218 -8.713 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.472 -7.750 1.803 1.00 0.00 H new ATOM 37 N SER A 5 -23.713 -9.739 1.270 1.00 0.00 N ATOM 38 CA SER A 5 -22.611 -10.439 0.620 1.00 0.00 C ATOM 39 C SER A 5 -22.422 -9.945 -0.811 1.00 0.00 C ATOM 40 O SER A 5 -23.358 -9.444 -1.435 1.00 0.00 O ATOM 41 CB SER A 5 -22.866 -11.948 0.622 1.00 0.00 C ATOM 42 OG SER A 5 -22.336 -12.553 1.788 1.00 0.00 O ATOM 0 H SER A 5 -24.623 -10.187 1.157 1.00 0.00 H new ATOM 0 HA SER A 5 -21.700 -10.231 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.938 -12.139 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.414 -12.398 -0.262 1.00 0.00 H new ATOM 0 HG SER A 5 -22.513 -13.517 1.766 1.00 0.00 H new ATOM 48 N SER A 6 -21.205 -10.091 -1.325 1.00 0.00 N ATOM 49 CA SER A 6 -20.891 -9.656 -2.681 1.00 0.00 C ATOM 50 C SER A 6 -20.528 -10.848 -3.562 1.00 0.00 C ATOM 51 O SER A 6 -21.065 -11.011 -4.657 1.00 0.00 O ATOM 52 CB SER A 6 -19.738 -8.651 -2.663 1.00 0.00 C ATOM 53 OG SER A 6 -18.591 -9.201 -2.037 1.00 0.00 O ATOM 0 H SER A 6 -20.420 -10.507 -0.823 1.00 0.00 H new ATOM 0 HA SER A 6 -21.776 -9.174 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.493 -8.356 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.046 -7.748 -2.135 1.00 0.00 H new ATOM 0 HG SER A 6 -17.868 -8.540 -2.040 1.00 0.00 H new ATOM 59 N GLY A 7 -19.610 -11.678 -3.076 1.00 0.00 N ATOM 60 CA GLY A 7 -19.190 -12.844 -3.831 1.00 0.00 C ATOM 61 C GLY A 7 -17.682 -12.947 -3.947 1.00 0.00 C ATOM 62 O GLY A 7 -16.980 -13.031 -2.940 1.00 0.00 O ATOM 0 H GLY A 7 -19.150 -11.564 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.577 -13.743 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.626 -12.803 -4.829 1.00 0.00 H new ATOM 66 N ARG A 8 -17.183 -12.941 -5.179 1.00 0.00 N ATOM 67 CA ARG A 8 -15.749 -13.038 -5.423 1.00 0.00 C ATOM 68 C ARG A 8 -15.196 -11.714 -5.944 1.00 0.00 C ATOM 69 O ARG A 8 -15.576 -11.251 -7.019 1.00 0.00 O ATOM 70 CB ARG A 8 -15.455 -14.155 -6.425 1.00 0.00 C ATOM 71 CG ARG A 8 -15.874 -15.534 -5.941 1.00 0.00 C ATOM 72 CD ARG A 8 -14.979 -16.024 -4.814 1.00 0.00 C ATOM 73 NE ARG A 8 -15.684 -16.928 -3.909 1.00 0.00 N ATOM 74 CZ ARG A 8 -15.910 -18.209 -4.178 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.488 -18.734 -5.320 1.00 0.00 N ATOM 76 NH2 ARG A 8 -16.559 -18.968 -3.304 1.00 0.00 N ATOM 0 H ARG A 8 -17.751 -12.870 -6.023 1.00 0.00 H new ATOM 0 HA ARG A 8 -15.260 -13.270 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.969 -13.936 -7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.387 -14.165 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.908 -15.502 -5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.835 -16.240 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.113 -16.535 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.603 -15.169 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.021 -16.555 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.989 -18.154 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.663 -19.718 -5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.885 -18.568 -2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.732 -19.951 -3.512 1.00 0.00 H new ATOM 90 N ALA A 9 -14.297 -11.111 -5.174 1.00 0.00 N ATOM 91 CA ALA A 9 -13.691 -9.842 -5.557 1.00 0.00 C ATOM 92 C ALA A 9 -12.445 -10.064 -6.408 1.00 0.00 C ATOM 93 O ALA A 9 -11.777 -11.095 -6.317 1.00 0.00 O ATOM 94 CB ALA A 9 -13.349 -9.025 -4.320 1.00 0.00 C ATOM 0 H ALA A 9 -13.972 -11.481 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.414 -9.288 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.897 -8.080 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.258 -8.828 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.647 -9.581 -3.699 1.00 0.00 H new ATOM 100 N PRO A 10 -12.123 -9.076 -7.256 1.00 0.00 N ATOM 101 CA PRO A 10 -10.955 -9.141 -8.140 1.00 0.00 C ATOM 102 C PRO A 10 -9.641 -9.043 -7.372 1.00 0.00 C ATOM 103 O PRO A 10 -9.623 -9.106 -6.143 1.00 0.00 O ATOM 104 CB PRO A 10 -11.133 -7.925 -9.053 1.00 0.00 C ATOM 105 CG PRO A 10 -11.959 -6.973 -8.259 1.00 0.00 C ATOM 106 CD PRO A 10 -12.873 -7.820 -7.418 1.00 0.00 C ATOM 0 HA PRO A 10 -10.901 -10.089 -8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.172 -7.487 -9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.629 -8.198 -9.984 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.331 -6.338 -7.634 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.530 -6.313 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.084 -7.351 -6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.832 -7.985 -7.909 1.00 0.00 H new ATOM 114 N SER A 11 -8.543 -8.888 -8.105 1.00 0.00 N ATOM 115 CA SER A 11 -7.224 -8.784 -7.493 1.00 0.00 C ATOM 116 C SER A 11 -6.697 -7.355 -7.576 1.00 0.00 C ATOM 117 O SER A 11 -6.433 -6.840 -8.662 1.00 0.00 O ATOM 118 CB SER A 11 -6.244 -9.741 -8.176 1.00 0.00 C ATOM 119 OG SER A 11 -6.107 -9.433 -9.553 1.00 0.00 O ATOM 0 H SER A 11 -8.541 -8.832 -9.123 1.00 0.00 H new ATOM 0 HA SER A 11 -7.316 -9.058 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.271 -9.680 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.594 -10.767 -8.063 1.00 0.00 H new ATOM 0 HG SER A 11 -6.144 -8.461 -9.676 1.00 0.00 H new ATOM 125 N VAL A 12 -6.546 -6.719 -6.418 1.00 0.00 N ATOM 126 CA VAL A 12 -6.050 -5.349 -6.358 1.00 0.00 C ATOM 127 C VAL A 12 -4.528 -5.318 -6.282 1.00 0.00 C ATOM 128 O VAL A 12 -3.886 -4.434 -6.848 1.00 0.00 O ATOM 129 CB VAL A 12 -6.629 -4.596 -5.145 1.00 0.00 C ATOM 130 CG1 VAL A 12 -8.140 -4.468 -5.267 1.00 0.00 C ATOM 131 CG2 VAL A 12 -6.247 -5.298 -3.851 1.00 0.00 C ATOM 0 H VAL A 12 -6.760 -7.130 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.375 -4.854 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.205 -3.592 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.531 -3.933 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.386 -3.918 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.587 -5.461 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.664 -4.753 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.641 -6.314 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.161 -5.331 -3.762 1.00 0.00 H new ATOM 141 N ALA A 13 -3.956 -6.291 -5.580 1.00 0.00 N ATOM 142 CA ALA A 13 -2.509 -6.377 -5.432 1.00 0.00 C ATOM 143 C ALA A 13 -2.018 -7.804 -5.655 1.00 0.00 C ATOM 144 O ALA A 13 -2.806 -8.704 -5.950 1.00 0.00 O ATOM 145 CB ALA A 13 -2.088 -5.881 -4.057 1.00 0.00 C ATOM 0 H ALA A 13 -4.473 -7.031 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.053 -5.741 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.005 -5.951 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.397 -4.843 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.561 -6.493 -3.289 1.00 0.00 H new ATOM 151 N THR A 14 -0.712 -8.005 -5.513 1.00 0.00 N ATOM 152 CA THR A 14 -0.116 -9.322 -5.700 1.00 0.00 C ATOM 153 C THR A 14 0.427 -9.872 -4.386 1.00 0.00 C ATOM 154 O THR A 14 0.552 -9.144 -3.401 1.00 0.00 O ATOM 155 CB THR A 14 1.023 -9.281 -6.736 1.00 0.00 C ATOM 156 OG1 THR A 14 1.644 -7.991 -6.730 1.00 0.00 O ATOM 157 CG2 THR A 14 0.498 -9.591 -8.130 1.00 0.00 C ATOM 0 H THR A 14 -0.046 -7.272 -5.269 1.00 0.00 H new ATOM 0 HA THR A 14 -0.907 -9.977 -6.066 1.00 0.00 H new ATOM 0 HB THR A 14 1.758 -10.039 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.156 -7.871 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.320 -9.556 -8.845 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.052 -10.586 -8.138 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.255 -8.854 -8.407 1.00 0.00 H new ATOM 165 N VAL A 15 0.749 -11.161 -4.377 1.00 0.00 N ATOM 166 CA VAL A 15 1.281 -11.809 -3.184 1.00 0.00 C ATOM 167 C VAL A 15 2.787 -12.016 -3.296 1.00 0.00 C ATOM 168 O VAL A 15 3.260 -12.754 -4.159 1.00 0.00 O ATOM 169 CB VAL A 15 0.604 -13.169 -2.935 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.683 -14.041 -4.178 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.238 -13.869 -1.742 1.00 0.00 C ATOM 0 H VAL A 15 0.651 -11.778 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 15 1.070 -11.147 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.448 -12.995 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.199 -14.998 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.179 -13.542 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.728 -14.209 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.747 -14.829 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.298 -14.032 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.123 -13.249 -0.853 1.00 0.00 H new ATOM 181 N GLY A 16 3.537 -11.359 -2.416 1.00 0.00 N ATOM 182 CA GLY A 16 4.982 -11.485 -2.433 1.00 0.00 C ATOM 183 C GLY A 16 5.643 -10.458 -3.331 1.00 0.00 C ATOM 184 O GLY A 16 6.729 -9.965 -3.027 1.00 0.00 O ATOM 0 H GLY A 16 3.169 -10.742 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.365 -11.376 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.252 -12.486 -2.770 1.00 0.00 H new ATOM 188 N SER A 17 4.988 -10.137 -4.442 1.00 0.00 N ATOM 189 CA SER A 17 5.521 -9.166 -5.390 1.00 0.00 C ATOM 190 C SER A 17 5.517 -7.763 -4.792 1.00 0.00 C ATOM 191 O SER A 17 4.715 -7.455 -3.910 1.00 0.00 O ATOM 192 CB SER A 17 4.704 -9.183 -6.684 1.00 0.00 C ATOM 193 OG SER A 17 4.683 -10.479 -7.256 1.00 0.00 O ATOM 0 H SER A 17 4.087 -10.535 -4.708 1.00 0.00 H new ATOM 0 HA SER A 17 6.551 -9.443 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.685 -8.856 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.129 -8.475 -7.395 1.00 0.00 H new ATOM 0 HG SER A 17 4.154 -10.464 -8.081 1.00 0.00 H new ATOM 199 N ILE A 18 6.420 -6.917 -5.277 1.00 0.00 N ATOM 200 CA ILE A 18 6.521 -5.546 -4.792 1.00 0.00 C ATOM 201 C ILE A 18 5.235 -4.772 -5.061 1.00 0.00 C ATOM 202 O ILE A 18 4.877 -4.525 -6.213 1.00 0.00 O ATOM 203 CB ILE A 18 7.701 -4.803 -5.445 1.00 0.00 C ATOM 204 CG1 ILE A 18 9.013 -5.540 -5.166 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.773 -3.372 -4.935 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.358 -5.625 -3.696 1.00 0.00 C ATOM 0 H ILE A 18 7.092 -7.157 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 18 6.690 -5.603 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 18 7.543 -4.776 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.948 -6.549 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.823 -5.035 -5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.612 -2.860 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.847 -2.852 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.912 -3.378 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.300 -6.160 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.456 -4.620 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.567 -6.157 -3.167 1.00 0.00 H new ATOM 218 N CYS A 19 4.546 -4.390 -3.991 1.00 0.00 N ATOM 219 CA CYS A 19 3.300 -3.642 -4.112 1.00 0.00 C ATOM 220 C CYS A 19 3.542 -2.148 -3.919 1.00 0.00 C ATOM 221 O CYS A 19 4.005 -1.715 -2.863 1.00 0.00 O ATOM 222 CB CYS A 19 2.279 -4.142 -3.088 1.00 0.00 C ATOM 223 SG CYS A 19 0.570 -3.693 -3.470 1.00 0.00 S ATOM 0 H CYS A 19 4.829 -4.586 -3.031 1.00 0.00 H new ATOM 0 HA CYS A 19 2.905 -3.801 -5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.351 -5.227 -3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.538 -3.742 -2.108 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.000 -3.210 -2.406 1.00 0.00 H new ATOM 229 N ASP A 20 3.227 -1.366 -4.945 1.00 0.00 N ATOM 230 CA ASP A 20 3.410 0.080 -4.890 1.00 0.00 C ATOM 231 C ASP A 20 2.080 0.788 -4.656 1.00 0.00 C ATOM 232 O ASP A 20 1.035 0.344 -5.136 1.00 0.00 O ATOM 233 CB ASP A 20 4.051 0.584 -6.184 1.00 0.00 C ATOM 234 CG ASP A 20 4.954 -0.451 -6.825 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.964 -0.829 -6.195 1.00 0.00 O ATOM 236 OD2 ASP A 20 4.651 -0.883 -7.956 1.00 0.00 O ATOM 0 H ASP A 20 2.843 -1.709 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 20 4.072 0.306 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.268 0.865 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.628 1.484 -5.973 1.00 0.00 H new ATOM 241 N LEU A 21 2.124 1.890 -3.915 1.00 0.00 N ATOM 242 CA LEU A 21 0.921 2.659 -3.617 1.00 0.00 C ATOM 243 C LEU A 21 0.938 4.000 -4.343 1.00 0.00 C ATOM 244 O LEU A 21 1.997 4.591 -4.551 1.00 0.00 O ATOM 245 CB LEU A 21 0.797 2.885 -2.109 1.00 0.00 C ATOM 246 CG LEU A 21 -0.621 3.084 -1.574 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.409 1.785 -1.655 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.584 3.599 -0.142 1.00 0.00 C ATOM 0 H LEU A 21 2.979 2.271 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 21 0.060 2.089 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.241 2.031 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.390 3.760 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.121 3.828 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.416 1.946 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.465 1.458 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.911 1.020 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.602 3.735 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.065 2.879 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.058 4.553 -0.112 1.00 0.00 H new ATOM 260 N ASN A 22 -0.242 4.476 -4.725 1.00 0.00 N ATOM 261 CA ASN A 22 -0.363 5.749 -5.427 1.00 0.00 C ATOM 262 C ASN A 22 -0.869 6.841 -4.490 1.00 0.00 C ATOM 263 O ASN A 22 -2.031 6.835 -4.082 1.00 0.00 O ATOM 264 CB ASN A 22 -1.308 5.608 -6.622 1.00 0.00 C ATOM 265 CG ASN A 22 -0.691 4.812 -7.756 1.00 0.00 C ATOM 266 OD1 ASN A 22 -0.302 5.371 -8.782 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.601 3.500 -7.577 1.00 0.00 N ATOM 0 H ASN A 22 -1.129 4.000 -4.560 1.00 0.00 H new ATOM 0 HA ASN A 22 0.626 6.033 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.228 5.121 -6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.582 6.599 -6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.197 2.912 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.936 3.079 -6.710 1.00 0.00 H new ATOM 274 N LEU A 23 0.010 7.778 -4.153 1.00 0.00 N ATOM 275 CA LEU A 23 -0.347 8.878 -3.264 1.00 0.00 C ATOM 276 C LEU A 23 0.109 10.214 -3.841 1.00 0.00 C ATOM 277 O LEU A 23 1.269 10.375 -4.223 1.00 0.00 O ATOM 278 CB LEU A 23 0.276 8.667 -1.883 1.00 0.00 C ATOM 279 CG LEU A 23 -0.553 7.850 -0.891 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.283 7.480 0.325 1.00 0.00 C ATOM 281 CD2 LEU A 23 -1.795 8.623 -0.471 1.00 0.00 C ATOM 0 H LEU A 23 0.975 7.798 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.433 8.896 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.240 8.175 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.474 9.644 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.870 6.930 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.323 6.899 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.142 6.888 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.630 8.388 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.373 8.027 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.498 9.559 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.404 8.838 -1.349 1.00 0.00 H new ATOM 293 N LYS A 24 -0.810 11.172 -3.900 1.00 0.00 N ATOM 294 CA LYS A 24 -0.503 12.496 -4.427 1.00 0.00 C ATOM 295 C LYS A 24 -1.002 13.586 -3.484 1.00 0.00 C ATOM 296 O LYS A 24 -2.145 14.033 -3.587 1.00 0.00 O ATOM 297 CB LYS A 24 -1.133 12.676 -5.810 1.00 0.00 C ATOM 298 CG LYS A 24 -2.617 12.358 -5.849 1.00 0.00 C ATOM 299 CD LYS A 24 -3.131 12.266 -7.275 1.00 0.00 C ATOM 300 CE LYS A 24 -4.394 11.421 -7.360 1.00 0.00 C ATOM 301 NZ LYS A 24 -5.066 11.559 -8.681 1.00 0.00 N ATOM 0 H LYS A 24 -1.774 11.056 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 24 0.580 12.583 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.982 13.705 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.614 12.035 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.802 11.416 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.169 13.129 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.336 13.267 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.360 11.835 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.143 10.374 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.083 11.718 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.922 10.968 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.329 12.553 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.418 11.252 -9.434 1.00 0.00 H new ATOM 315 N ILE A 25 -0.139 14.010 -2.568 1.00 0.00 N ATOM 316 CA ILE A 25 -0.492 15.050 -1.609 1.00 0.00 C ATOM 317 C ILE A 25 0.611 16.097 -1.502 1.00 0.00 C ATOM 318 O ILE A 25 1.573 15.947 -0.748 1.00 0.00 O ATOM 319 CB ILE A 25 -0.761 14.459 -0.212 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.607 13.189 -0.326 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.452 15.486 0.673 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.700 12.408 0.966 1.00 0.00 C ATOM 0 H ILE A 25 0.810 13.650 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.403 15.522 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 25 0.193 14.197 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.612 13.459 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.183 12.548 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.636 15.054 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.815 16.365 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.401 15.776 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.314 11.521 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.701 12.107 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.152 13.032 1.737 1.00 0.00 H new ATOM 334 N PRO A 26 0.470 17.186 -2.272 1.00 0.00 N ATOM 335 CA PRO A 26 1.444 18.281 -2.280 1.00 0.00 C ATOM 336 C PRO A 26 1.430 19.079 -0.981 1.00 0.00 C ATOM 337 O PRO A 26 2.334 19.872 -0.720 1.00 0.00 O ATOM 338 CB PRO A 26 0.985 19.156 -3.450 1.00 0.00 C ATOM 339 CG PRO A 26 -0.471 18.872 -3.586 1.00 0.00 C ATOM 340 CD PRO A 26 -0.651 17.431 -3.195 1.00 0.00 C ATOM 0 HA PRO A 26 2.466 17.916 -2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.165 20.212 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.524 18.909 -4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.058 19.527 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.808 19.044 -4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.614 17.263 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.610 16.771 -4.062 1.00 0.00 H new ATOM 348 N GLU A 27 0.399 18.863 -0.170 1.00 0.00 N ATOM 349 CA GLU A 27 0.269 19.563 1.102 1.00 0.00 C ATOM 350 C GLU A 27 1.056 18.851 2.198 1.00 0.00 C ATOM 351 O GLU A 27 1.187 19.358 3.313 1.00 0.00 O ATOM 352 CB GLU A 27 -1.204 19.668 1.503 1.00 0.00 C ATOM 353 CG GLU A 27 -1.413 19.977 2.976 1.00 0.00 C ATOM 354 CD GLU A 27 -2.769 20.597 3.255 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.755 20.179 2.614 1.00 0.00 O ATOM 356 OE2 GLU A 27 -2.843 21.501 4.114 1.00 0.00 O ATOM 0 H GLU A 27 -0.358 18.209 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 27 0.677 20.566 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.680 20.446 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.705 18.730 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.312 19.059 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.630 20.655 3.316 1.00 0.00 H new ATOM 363 N ILE A 28 1.576 17.672 1.874 1.00 0.00 N ATOM 364 CA ILE A 28 2.350 16.890 2.830 1.00 0.00 C ATOM 365 C ILE A 28 3.713 16.514 2.258 1.00 0.00 C ATOM 366 O ILE A 28 3.867 16.357 1.048 1.00 0.00 O ATOM 367 CB ILE A 28 1.606 15.605 3.240 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.278 15.953 3.915 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.473 14.764 4.165 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.616 14.754 4.142 1.00 0.00 C ATOM 0 H ILE A 28 1.475 17.237 0.957 1.00 0.00 H new ATOM 0 HA ILE A 28 2.489 17.517 3.711 1.00 0.00 H new ATOM 0 HB ILE A 28 1.394 15.022 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.481 16.431 4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.253 16.681 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.934 13.859 4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.395 14.492 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.712 15.337 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.540 15.075 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.849 14.288 3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.104 14.034 4.781 1.00 0.00 H new ATOM 382 N ASN A 29 4.699 16.370 3.138 1.00 0.00 N ATOM 383 CA ASN A 29 6.049 16.011 2.720 1.00 0.00 C ATOM 384 C ASN A 29 6.228 14.496 2.700 1.00 0.00 C ATOM 385 O ASN A 29 5.327 13.750 3.081 1.00 0.00 O ATOM 386 CB ASN A 29 7.080 16.645 3.656 1.00 0.00 C ATOM 387 CG ASN A 29 8.388 16.953 2.953 1.00 0.00 C ATOM 388 OD1 ASN A 29 8.457 16.964 1.724 1.00 0.00 O ATOM 389 ND2 ASN A 29 9.434 17.204 3.732 1.00 0.00 N ATOM 0 H ASN A 29 4.588 16.496 4.144 1.00 0.00 H new ATOM 0 HA ASN A 29 6.203 16.390 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.670 17.565 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.270 15.972 4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.341 17.417 3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.331 17.184 4.747 1.00 0.00 H new ATOM 396 N SER A 30 7.397 14.050 2.253 1.00 0.00 N ATOM 397 CA SER A 30 7.693 12.624 2.180 1.00 0.00 C ATOM 398 C SER A 30 8.352 12.139 3.468 1.00 0.00 C ATOM 399 O SER A 30 8.511 10.937 3.682 1.00 0.00 O ATOM 400 CB SER A 30 8.605 12.331 0.986 1.00 0.00 C ATOM 401 OG SER A 30 8.427 11.004 0.522 1.00 0.00 O ATOM 0 H SER A 30 8.155 14.655 1.936 1.00 0.00 H new ATOM 0 HA SER A 30 6.752 12.089 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.391 13.033 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.645 12.483 1.273 1.00 0.00 H new ATOM 0 HG SER A 30 9.019 10.842 -0.242 1.00 0.00 H new ATOM 407 N SER A 31 8.733 13.083 4.322 1.00 0.00 N ATOM 408 CA SER A 31 9.378 12.754 5.588 1.00 0.00 C ATOM 409 C SER A 31 8.377 12.812 6.738 1.00 0.00 C ATOM 410 O SER A 31 8.414 11.985 7.650 1.00 0.00 O ATOM 411 CB SER A 31 10.539 13.713 5.857 1.00 0.00 C ATOM 412 OG SER A 31 11.426 13.180 6.826 1.00 0.00 O ATOM 0 H SER A 31 8.606 14.082 4.160 1.00 0.00 H new ATOM 0 HA SER A 31 9.765 11.738 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.080 13.904 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.151 14.671 6.202 1.00 0.00 H new ATOM 0 HG SER A 31 12.160 13.811 6.979 1.00 0.00 H new ATOM 418 N ASP A 32 7.485 13.794 6.688 1.00 0.00 N ATOM 419 CA ASP A 32 6.473 13.961 7.725 1.00 0.00 C ATOM 420 C ASP A 32 5.434 12.846 7.655 1.00 0.00 C ATOM 421 O ASP A 32 4.573 12.731 8.527 1.00 0.00 O ATOM 422 CB ASP A 32 5.788 15.322 7.586 1.00 0.00 C ATOM 423 CG ASP A 32 5.607 15.733 6.137 1.00 0.00 C ATOM 424 OD1 ASP A 32 5.500 14.835 5.276 1.00 0.00 O ATOM 425 OD2 ASP A 32 5.572 16.951 5.866 1.00 0.00 O ATOM 0 H ASP A 32 7.442 14.487 5.941 1.00 0.00 H new ATOM 0 HA ASP A 32 6.970 13.910 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.815 15.287 8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.379 16.078 8.104 1.00 0.00 H new ATOM 430 N MET A 33 5.521 12.027 6.612 1.00 0.00 N ATOM 431 CA MET A 33 4.589 10.921 6.428 1.00 0.00 C ATOM 432 C MET A 33 5.032 9.699 7.226 1.00 0.00 C ATOM 433 O MET A 33 6.151 9.652 7.736 1.00 0.00 O ATOM 434 CB MET A 33 4.474 10.563 4.945 1.00 0.00 C ATOM 435 CG MET A 33 3.411 11.362 4.208 1.00 0.00 C ATOM 436 SD MET A 33 2.919 10.594 2.653 1.00 0.00 S ATOM 437 CE MET A 33 4.461 10.653 1.744 1.00 0.00 C ATOM 0 H MET A 33 6.228 12.109 5.881 1.00 0.00 H new ATOM 0 HA MET A 33 3.612 11.237 6.794 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.438 10.727 4.464 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.248 9.501 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.535 11.471 4.848 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.788 12.365 4.010 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.462 9.877 0.979 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.567 11.629 1.271 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.293 10.489 2.428 1.00 0.00 H new ATOM 447 N SER A 34 4.148 8.712 7.328 1.00 0.00 N ATOM 448 CA SER A 34 4.447 7.491 8.066 1.00 0.00 C ATOM 449 C SER A 34 3.542 6.348 7.617 1.00 0.00 C ATOM 450 O SER A 34 2.340 6.354 7.879 1.00 0.00 O ATOM 451 CB SER A 34 4.283 7.725 9.569 1.00 0.00 C ATOM 452 OG SER A 34 5.103 8.793 10.012 1.00 0.00 O ATOM 0 H SER A 34 3.218 8.734 6.909 1.00 0.00 H new ATOM 0 HA SER A 34 5.481 7.215 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.240 7.946 9.794 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.540 6.816 10.112 1.00 0.00 H new ATOM 0 HG SER A 34 5.810 8.957 9.354 1.00 0.00 H new ATOM 458 N ALA A 35 4.130 5.368 6.938 1.00 0.00 N ATOM 459 CA ALA A 35 3.378 4.217 6.453 1.00 0.00 C ATOM 460 C ALA A 35 3.723 2.962 7.247 1.00 0.00 C ATOM 461 O ALA A 35 4.885 2.721 7.573 1.00 0.00 O ATOM 462 CB ALA A 35 3.647 3.997 4.971 1.00 0.00 C ATOM 0 H ALA A 35 5.124 5.348 6.712 1.00 0.00 H new ATOM 0 HA ALA A 35 2.317 4.423 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.079 3.134 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.344 4.882 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.711 3.817 4.817 1.00 0.00 H new ATOM 468 N HIS A 36 2.705 2.165 7.556 1.00 0.00 N ATOM 469 CA HIS A 36 2.901 0.933 8.313 1.00 0.00 C ATOM 470 C HIS A 36 1.960 -0.162 7.821 1.00 0.00 C ATOM 471 O HIS A 36 0.739 -0.026 7.897 1.00 0.00 O ATOM 472 CB HIS A 36 2.675 1.185 9.804 1.00 0.00 C ATOM 473 CG HIS A 36 3.592 2.217 10.383 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.186 3.500 10.685 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.902 2.150 10.718 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.207 4.177 11.178 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.260 3.381 11.209 1.00 0.00 N ATOM 0 H HIS A 36 1.737 2.350 7.294 1.00 0.00 H new ATOM 0 HA HIS A 36 3.928 0.600 8.160 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.643 1.500 9.958 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.807 0.249 10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.546 1.289 10.618 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.185 5.207 11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.189 3.639 11.543 1.00 0.00 H new ATOM 486 N VAL A 37 2.536 -1.248 7.315 1.00 0.00 N ATOM 487 CA VAL A 37 1.749 -2.367 6.811 1.00 0.00 C ATOM 488 C VAL A 37 1.338 -3.304 7.942 1.00 0.00 C ATOM 489 O VAL A 37 2.102 -4.182 8.345 1.00 0.00 O ATOM 490 CB VAL A 37 2.529 -3.170 5.753 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.718 -4.370 5.288 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.900 -2.280 4.576 1.00 0.00 C ATOM 0 H VAL A 37 3.545 -1.376 7.243 1.00 0.00 H new ATOM 0 HA VAL A 37 0.856 -1.944 6.351 1.00 0.00 H new ATOM 0 HB VAL A 37 3.449 -3.537 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.285 -4.925 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.507 -5.018 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.780 -4.028 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.451 -2.863 3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.993 -1.882 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.522 -1.456 4.925 1.00 0.00 H new ATOM 502 N THR A 38 0.125 -3.111 8.451 1.00 0.00 N ATOM 503 CA THR A 38 -0.388 -3.937 9.536 1.00 0.00 C ATOM 504 C THR A 38 -0.975 -5.240 9.005 1.00 0.00 C ATOM 505 O THR A 38 -1.652 -5.254 7.977 1.00 0.00 O ATOM 506 CB THR A 38 -1.468 -3.194 10.345 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.014 -1.877 10.674 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.806 -3.952 11.620 1.00 0.00 C ATOM 0 H THR A 38 -0.520 -2.390 8.129 1.00 0.00 H new ATOM 0 HA THR A 38 0.456 -4.161 10.189 1.00 0.00 H new ATOM 0 HB THR A 38 -2.367 -3.126 9.732 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.707 -1.411 11.187 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.571 -3.408 12.175 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.179 -4.944 11.365 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.911 -4.047 12.235 1.00 0.00 H new ATOM 516 N SER A 39 -0.710 -6.335 9.712 1.00 0.00 N ATOM 517 CA SER A 39 -1.210 -7.644 9.309 1.00 0.00 C ATOM 518 C SER A 39 -2.429 -8.039 10.137 1.00 0.00 C ATOM 519 O SER A 39 -2.593 -7.623 11.284 1.00 0.00 O ATOM 520 CB SER A 39 -0.113 -8.700 9.460 1.00 0.00 C ATOM 521 OG SER A 39 0.974 -8.435 8.590 1.00 0.00 O ATOM 0 H SER A 39 -0.152 -6.341 10.566 1.00 0.00 H new ATOM 0 HA SER A 39 -1.508 -7.586 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.239 -8.718 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.522 -9.687 9.245 1.00 0.00 H new ATOM 0 HG SER A 39 1.588 -7.801 9.017 1.00 0.00 H new ATOM 527 N PRO A 40 -3.306 -8.861 9.542 1.00 0.00 N ATOM 528 CA PRO A 40 -4.526 -9.331 10.205 1.00 0.00 C ATOM 529 C PRO A 40 -4.230 -10.307 11.338 1.00 0.00 C ATOM 530 O PRO A 40 -5.133 -10.717 12.068 1.00 0.00 O ATOM 531 CB PRO A 40 -5.293 -10.032 9.081 1.00 0.00 C ATOM 532 CG PRO A 40 -4.244 -10.450 8.110 1.00 0.00 C ATOM 533 CD PRO A 40 -3.174 -9.395 8.176 1.00 0.00 C ATOM 0 HA PRO A 40 -5.078 -8.514 10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.849 -10.891 9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.017 -9.362 8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.842 -11.430 8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.653 -10.528 7.103 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.183 -9.816 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.327 -8.620 7.425 1.00 0.00 H new ATOM 541 N SER A 41 -2.961 -10.675 11.480 1.00 0.00 N ATOM 542 CA SER A 41 -2.547 -11.606 12.523 1.00 0.00 C ATOM 543 C SER A 41 -2.007 -10.857 13.737 1.00 0.00 C ATOM 544 O SER A 41 -1.838 -11.433 14.811 1.00 0.00 O ATOM 545 CB SER A 41 -1.483 -12.566 11.986 1.00 0.00 C ATOM 546 OG SER A 41 -0.241 -11.906 11.815 1.00 0.00 O ATOM 0 H SER A 41 -2.202 -10.343 10.886 1.00 0.00 H new ATOM 0 HA SER A 41 -3.421 -12.180 12.832 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.362 -13.402 12.675 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.811 -12.982 11.034 1.00 0.00 H new ATOM 0 HG SER A 41 0.422 -12.541 11.473 1.00 0.00 H new ATOM 552 N GLY A 42 -1.738 -9.567 13.557 1.00 0.00 N ATOM 553 CA GLY A 42 -1.219 -8.759 14.646 1.00 0.00 C ATOM 554 C GLY A 42 0.231 -8.371 14.439 1.00 0.00 C ATOM 555 O GLY A 42 0.931 -8.029 15.392 1.00 0.00 O ATOM 0 H GLY A 42 -1.870 -9.067 12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.823 -7.857 14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.314 -9.311 15.581 1.00 0.00 H new ATOM 559 N ARG A 43 0.685 -8.424 13.191 1.00 0.00 N ATOM 560 CA ARG A 43 2.062 -8.078 12.863 1.00 0.00 C ATOM 561 C ARG A 43 2.111 -6.885 11.912 1.00 0.00 C ATOM 562 O ARG A 43 1.645 -6.964 10.776 1.00 0.00 O ATOM 563 CB ARG A 43 2.776 -9.275 12.233 1.00 0.00 C ATOM 564 CG ARG A 43 4.239 -9.015 11.916 1.00 0.00 C ATOM 565 CD ARG A 43 4.767 -9.994 10.879 1.00 0.00 C ATOM 566 NE ARG A 43 5.240 -11.234 11.488 1.00 0.00 N ATOM 567 CZ ARG A 43 6.337 -11.317 12.231 1.00 0.00 C ATOM 568 NH1 ARG A 43 7.072 -10.236 12.456 1.00 0.00 N ATOM 569 NH2 ARG A 43 6.702 -12.481 12.752 1.00 0.00 N ATOM 0 H ARG A 43 0.118 -8.704 12.390 1.00 0.00 H new ATOM 0 HA ARG A 43 2.571 -7.806 13.787 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.706 -10.126 12.910 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.258 -9.554 11.315 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.357 -7.996 11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.830 -9.096 12.828 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.979 -10.221 10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.582 -9.529 10.323 1.00 0.00 H new ATOM 0 HE ARG A 43 4.697 -12.084 11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.795 -9.339 12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.914 -10.302 13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.139 -13.315 12.582 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.545 -12.542 13.323 1.00 0.00 H new ATOM 583 N VAL A 44 2.680 -5.781 12.385 1.00 0.00 N ATOM 584 CA VAL A 44 2.790 -4.572 11.578 1.00 0.00 C ATOM 585 C VAL A 44 4.244 -4.130 11.446 1.00 0.00 C ATOM 586 O VAL A 44 5.039 -4.289 12.372 1.00 0.00 O ATOM 587 CB VAL A 44 1.967 -3.417 12.179 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.387 -3.156 13.618 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.116 -2.161 11.335 1.00 0.00 C ATOM 0 H VAL A 44 3.072 -5.699 13.323 1.00 0.00 H new ATOM 0 HA VAL A 44 2.395 -4.814 10.591 1.00 0.00 H new ATOM 0 HB VAL A 44 0.915 -3.704 12.178 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.795 -2.337 14.027 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.223 -4.054 14.213 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.444 -2.890 13.646 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.528 -1.355 11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.165 -1.868 11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.762 -2.358 10.323 1.00 0.00 H new ATOM 599 N THR A 45 4.585 -3.574 10.287 1.00 0.00 N ATOM 600 CA THR A 45 5.943 -3.110 10.033 1.00 0.00 C ATOM 601 C THR A 45 5.941 -1.713 9.423 1.00 0.00 C ATOM 602 O THR A 45 4.882 -1.139 9.168 1.00 0.00 O ATOM 603 CB THR A 45 6.697 -4.067 9.091 1.00 0.00 C ATOM 604 OG1 THR A 45 5.776 -4.695 8.191 1.00 0.00 O ATOM 605 CG2 THR A 45 7.443 -5.130 9.883 1.00 0.00 C ATOM 0 H THR A 45 3.939 -3.434 9.510 1.00 0.00 H new ATOM 0 HA THR A 45 6.453 -3.083 10.996 1.00 0.00 H new ATOM 0 HB THR A 45 7.422 -3.485 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.263 -5.301 7.594 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.968 -5.794 9.196 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.163 -4.651 10.546 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.733 -5.708 10.475 1.00 0.00 H new ATOM 613 N GLU A 46 7.133 -1.171 9.193 1.00 0.00 N ATOM 614 CA GLU A 46 7.267 0.160 8.613 1.00 0.00 C ATOM 615 C GLU A 46 7.498 0.077 7.107 1.00 0.00 C ATOM 616 O GLU A 46 8.376 -0.650 6.642 1.00 0.00 O ATOM 617 CB GLU A 46 8.420 0.916 9.276 1.00 0.00 C ATOM 618 CG GLU A 46 8.371 2.418 9.054 1.00 0.00 C ATOM 619 CD GLU A 46 9.682 3.101 9.392 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.737 2.439 9.301 1.00 0.00 O ATOM 621 OE2 GLU A 46 9.653 4.299 9.746 1.00 0.00 O ATOM 0 H GLU A 46 8.019 -1.633 9.399 1.00 0.00 H new ATOM 0 HA GLU A 46 6.338 0.701 8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.407 0.715 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.364 0.531 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.119 2.620 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.575 2.846 9.664 1.00 0.00 H new ATOM 628 N ALA A 47 6.703 0.827 6.350 1.00 0.00 N ATOM 629 CA ALA A 47 6.821 0.839 4.897 1.00 0.00 C ATOM 630 C ALA A 47 7.806 1.908 4.436 1.00 0.00 C ATOM 631 O ALA A 47 8.152 2.814 5.194 1.00 0.00 O ATOM 632 CB ALA A 47 5.459 1.063 4.259 1.00 0.00 C ATOM 0 H ALA A 47 5.971 1.434 6.719 1.00 0.00 H new ATOM 0 HA ALA A 47 7.203 -0.131 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.562 1.070 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.783 0.261 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.055 2.019 4.591 1.00 0.00 H new ATOM 638 N GLU A 48 8.253 1.797 3.189 1.00 0.00 N ATOM 639 CA GLU A 48 9.199 2.754 2.628 1.00 0.00 C ATOM 640 C GLU A 48 8.499 3.712 1.668 1.00 0.00 C ATOM 641 O GLU A 48 7.624 3.309 0.901 1.00 0.00 O ATOM 642 CB GLU A 48 10.330 2.022 1.902 1.00 0.00 C ATOM 643 CG GLU A 48 11.321 2.953 1.226 1.00 0.00 C ATOM 644 CD GLU A 48 12.642 2.275 0.918 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.704 1.523 -0.077 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.613 2.496 1.672 1.00 0.00 O ATOM 0 H GLU A 48 7.975 1.054 2.548 1.00 0.00 H new ATOM 0 HA GLU A 48 9.620 3.334 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.863 1.395 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.899 1.357 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.886 3.330 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.500 3.815 1.869 1.00 0.00 H new ATOM 653 N ILE A 49 8.891 4.981 1.717 1.00 0.00 N ATOM 654 CA ILE A 49 8.302 5.995 0.852 1.00 0.00 C ATOM 655 C ILE A 49 9.286 6.436 -0.226 1.00 0.00 C ATOM 656 O ILE A 49 10.047 7.385 -0.037 1.00 0.00 O ATOM 657 CB ILE A 49 7.853 7.229 1.657 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.887 6.816 2.769 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.204 8.253 0.737 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.685 7.884 3.821 1.00 0.00 C ATOM 0 H ILE A 49 9.614 5.331 2.346 1.00 0.00 H new ATOM 0 HA ILE A 49 7.430 5.541 0.381 1.00 0.00 H new ATOM 0 HB ILE A 49 8.731 7.685 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.923 6.566 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.262 5.912 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.892 9.120 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.921 8.566 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.334 7.808 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.988 7.522 4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.641 8.118 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.280 8.782 3.355 1.00 0.00 H new ATOM 672 N VAL A 50 9.263 5.741 -1.360 1.00 0.00 N ATOM 673 CA VAL A 50 10.151 6.063 -2.471 1.00 0.00 C ATOM 674 C VAL A 50 9.668 7.299 -3.221 1.00 0.00 C ATOM 675 O VAL A 50 8.502 7.409 -3.601 1.00 0.00 O ATOM 676 CB VAL A 50 10.261 4.886 -3.459 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.040 5.301 -4.698 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.911 3.686 -2.788 1.00 0.00 C ATOM 0 H VAL A 50 8.640 4.952 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 50 11.134 6.263 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 50 9.256 4.599 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.108 4.457 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.528 6.129 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.043 5.615 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.981 2.864 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.910 3.957 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.308 3.376 -1.934 1.00 0.00 H new ATOM 688 N PRO A 51 10.584 8.253 -3.440 1.00 0.00 N ATOM 689 CA PRO A 51 10.276 9.499 -4.148 1.00 0.00 C ATOM 690 C PRO A 51 10.012 9.273 -5.633 1.00 0.00 C ATOM 691 O PRO A 51 10.907 8.875 -6.378 1.00 0.00 O ATOM 692 CB PRO A 51 11.539 10.341 -3.951 1.00 0.00 C ATOM 693 CG PRO A 51 12.627 9.347 -3.735 1.00 0.00 C ATOM 694 CD PRO A 51 11.993 8.189 -3.016 1.00 0.00 C ATOM 0 HA PRO A 51 9.370 9.970 -3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.739 10.964 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.439 11.011 -3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.058 9.028 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.437 9.777 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.454 7.242 -3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.092 8.285 -1.935 1.00 0.00 H new ATOM 702 N MET A 52 8.779 9.530 -6.056 1.00 0.00 N ATOM 703 CA MET A 52 8.400 9.356 -7.453 1.00 0.00 C ATOM 704 C MET A 52 8.555 10.662 -8.226 1.00 0.00 C ATOM 705 O MET A 52 8.652 10.661 -9.453 1.00 0.00 O ATOM 706 CB MET A 52 6.956 8.859 -7.554 1.00 0.00 C ATOM 707 CG MET A 52 6.822 7.351 -7.426 1.00 0.00 C ATOM 708 SD MET A 52 7.070 6.496 -8.995 1.00 0.00 S ATOM 709 CE MET A 52 8.741 5.884 -8.786 1.00 0.00 C ATOM 0 H MET A 52 8.026 9.859 -5.452 1.00 0.00 H new ATOM 0 HA MET A 52 9.065 8.613 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.361 9.336 -6.775 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.539 9.173 -8.511 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.548 6.986 -6.699 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.833 7.110 -7.038 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.899 5.027 -9.441 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.451 6.671 -9.040 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.891 5.581 -7.750 1.00 0.00 H new ATOM 719 N GLY A 53 8.579 11.775 -7.500 1.00 0.00 N ATOM 720 CA GLY A 53 8.723 13.072 -8.135 1.00 0.00 C ATOM 721 C GLY A 53 8.700 14.212 -7.136 1.00 0.00 C ATOM 722 O GLY A 53 9.466 14.220 -6.172 1.00 0.00 O ATOM 0 H GLY A 53 8.501 11.802 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.660 13.099 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.919 13.210 -8.858 1.00 0.00 H new ATOM 726 N LYS A 54 7.819 15.180 -7.366 1.00 0.00 N ATOM 727 CA LYS A 54 7.699 16.332 -6.480 1.00 0.00 C ATOM 728 C LYS A 54 6.720 16.045 -5.345 1.00 0.00 C ATOM 729 O LYS A 54 7.121 15.896 -4.191 1.00 0.00 O ATOM 730 CB LYS A 54 7.237 17.561 -7.267 1.00 0.00 C ATOM 731 CG LYS A 54 7.443 18.870 -6.525 1.00 0.00 C ATOM 732 CD LYS A 54 8.902 19.297 -6.540 1.00 0.00 C ATOM 733 CE LYS A 54 9.297 19.884 -7.886 1.00 0.00 C ATOM 734 NZ LYS A 54 10.763 20.125 -7.978 1.00 0.00 N ATOM 0 H LYS A 54 7.177 15.190 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 54 8.680 16.532 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.777 17.600 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.180 17.452 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.831 19.648 -6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.105 18.762 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.075 20.034 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.536 18.439 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.990 19.206 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.764 20.822 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.991 20.525 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.052 20.792 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.271 19.226 -7.853 1.00 0.00 H new ATOM 748 N ASN A 55 5.437 15.968 -5.681 1.00 0.00 N ATOM 749 CA ASN A 55 4.402 15.698 -4.690 1.00 0.00 C ATOM 750 C ASN A 55 3.854 14.282 -4.847 1.00 0.00 C ATOM 751 O ASN A 55 2.721 13.998 -4.461 1.00 0.00 O ATOM 752 CB ASN A 55 3.265 16.714 -4.819 1.00 0.00 C ATOM 753 CG ASN A 55 3.088 17.205 -6.243 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.979 16.411 -7.177 1.00 0.00 O ATOM 755 ND2 ASN A 55 3.060 18.522 -6.415 1.00 0.00 N ATOM 0 H ASN A 55 5.089 16.089 -6.632 1.00 0.00 H new ATOM 0 HA ASN A 55 4.850 15.788 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.335 16.260 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.465 17.564 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.944 18.912 -7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.154 19.143 -5.612 1.00 0.00 H new ATOM 762 N SER A 56 4.669 13.399 -5.415 1.00 0.00 N ATOM 763 CA SER A 56 4.265 12.013 -5.626 1.00 0.00 C ATOM 764 C SER A 56 4.983 11.084 -4.652 1.00 0.00 C ATOM 765 O SER A 56 6.210 11.090 -4.560 1.00 0.00 O ATOM 766 CB SER A 56 4.560 11.588 -7.066 1.00 0.00 C ATOM 767 OG SER A 56 3.750 12.300 -7.985 1.00 0.00 O ATOM 0 H SER A 56 5.612 13.618 -5.737 1.00 0.00 H new ATOM 0 HA SER A 56 3.192 11.941 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.612 11.764 -7.292 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.385 10.518 -7.176 1.00 0.00 H new ATOM 0 HG SER A 56 3.959 12.011 -8.898 1.00 0.00 H new ATOM 773 N HIS A 57 4.207 10.285 -3.926 1.00 0.00 N ATOM 774 CA HIS A 57 4.767 9.349 -2.958 1.00 0.00 C ATOM 775 C HIS A 57 4.452 7.909 -3.350 1.00 0.00 C ATOM 776 O HIS A 57 3.331 7.596 -3.753 1.00 0.00 O ATOM 777 CB HIS A 57 4.221 9.640 -1.560 1.00 0.00 C ATOM 778 CG HIS A 57 3.969 11.095 -1.306 1.00 0.00 C ATOM 779 ND1 HIS A 57 4.960 12.052 -1.366 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.829 11.754 -0.993 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.440 13.237 -1.098 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.149 13.084 -0.868 1.00 0.00 N ATOM 0 H HIS A 57 3.189 10.267 -3.990 1.00 0.00 H new ATOM 0 HA HIS A 57 5.849 9.477 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.291 9.089 -1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.927 9.267 -0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.850 11.316 -0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.980 14.172 -1.072 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.495 13.832 -0.635 1.00 0.00 H new ATOM 791 N CYS A 58 5.447 7.037 -3.230 1.00 0.00 N ATOM 792 CA CYS A 58 5.276 5.629 -3.573 1.00 0.00 C ATOM 793 C CYS A 58 5.590 4.736 -2.378 1.00 0.00 C ATOM 794 O CYS A 58 6.741 4.629 -1.954 1.00 0.00 O ATOM 795 CB CYS A 58 6.176 5.258 -4.753 1.00 0.00 C ATOM 796 SG CYS A 58 5.532 3.914 -5.778 1.00 0.00 S ATOM 0 H CYS A 58 6.380 7.280 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 58 4.235 5.473 -3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.320 6.140 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.157 4.973 -4.373 1.00 0.00 H new ATOM 0 HG CYS A 58 4.394 3.509 -5.297 1.00 0.00 H new ATOM 802 N VAL A 59 4.558 4.097 -1.836 1.00 0.00 N ATOM 803 CA VAL A 59 4.723 3.213 -0.688 1.00 0.00 C ATOM 804 C VAL A 59 4.974 1.776 -1.133 1.00 0.00 C ATOM 805 O VAL A 59 4.045 1.061 -1.508 1.00 0.00 O ATOM 806 CB VAL A 59 3.486 3.246 0.229 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.681 2.325 1.423 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.199 4.669 0.684 1.00 0.00 C ATOM 0 H VAL A 59 3.599 4.175 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 59 5.588 3.575 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 59 2.626 2.889 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.797 2.362 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.834 1.304 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.552 2.648 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.322 4.674 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.057 5.055 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.012 5.298 -0.186 1.00 0.00 H new ATOM 818 N ARG A 60 6.236 1.361 -1.088 1.00 0.00 N ATOM 819 CA ARG A 60 6.609 0.009 -1.487 1.00 0.00 C ATOM 820 C ARG A 60 6.594 -0.935 -0.288 1.00 0.00 C ATOM 821 O ARG A 60 7.202 -0.654 0.745 1.00 0.00 O ATOM 822 CB ARG A 60 7.997 0.010 -2.131 1.00 0.00 C ATOM 823 CG ARG A 60 8.695 -1.339 -2.076 1.00 0.00 C ATOM 824 CD ARG A 60 9.825 -1.424 -3.090 1.00 0.00 C ATOM 825 NE ARG A 60 11.092 -0.954 -2.538 1.00 0.00 N ATOM 826 CZ ARG A 60 12.267 -1.148 -3.126 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.336 -1.800 -4.278 1.00 0.00 N ATOM 828 NH2 ARG A 60 13.377 -0.690 -2.561 1.00 0.00 N ATOM 0 H ARG A 60 7.016 1.941 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 60 5.878 -0.343 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.905 0.320 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.619 0.752 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.091 -1.504 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.972 -2.132 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.936 -2.456 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.570 -0.831 -3.968 1.00 0.00 H new ATOM 0 HE ARG A 60 11.074 -0.449 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.485 -2.154 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.240 -1.947 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.328 -0.188 -1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.279 -0.840 -3.014 1.00 0.00 H new ATOM 842 N PHE A 61 5.895 -2.056 -0.434 1.00 0.00 N ATOM 843 CA PHE A 61 5.799 -3.042 0.637 1.00 0.00 C ATOM 844 C PHE A 61 5.494 -4.427 0.075 1.00 0.00 C ATOM 845 O PHE A 61 4.936 -4.559 -1.015 1.00 0.00 O ATOM 846 CB PHE A 61 4.716 -2.635 1.638 1.00 0.00 C ATOM 847 CG PHE A 61 3.326 -2.683 1.070 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.723 -3.896 0.782 1.00 0.00 C ATOM 849 CD2 PHE A 61 2.623 -1.514 0.823 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.444 -3.944 0.260 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.344 -1.556 0.301 1.00 0.00 C ATOM 852 CZ PHE A 61 0.754 -2.773 0.018 1.00 0.00 C ATOM 0 H PHE A 61 5.387 -2.304 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 61 6.761 -3.081 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.768 -3.293 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.921 -1.625 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.258 -4.815 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.080 -0.560 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.985 -4.897 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.806 -0.638 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.245 -2.808 -0.392 1.00 0.00 H new ATOM 862 N VAL A 62 5.864 -5.459 0.828 1.00 0.00 N ATOM 863 CA VAL A 62 5.629 -6.835 0.406 1.00 0.00 C ATOM 864 C VAL A 62 4.468 -7.455 1.175 1.00 0.00 C ATOM 865 O VAL A 62 4.578 -7.783 2.357 1.00 0.00 O ATOM 866 CB VAL A 62 6.885 -7.704 0.606 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.556 -9.174 0.395 1.00 0.00 C ATOM 868 CG2 VAL A 62 7.996 -7.258 -0.333 1.00 0.00 C ATOM 0 H VAL A 62 6.327 -5.368 1.732 1.00 0.00 H new ATOM 0 HA VAL A 62 5.382 -6.804 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 62 7.234 -7.578 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.455 -9.773 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.795 -9.483 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.182 -9.321 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.876 -7.883 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.660 -7.354 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.249 -6.218 -0.129 1.00 0.00 H new ATOM 878 N PRO A 63 3.327 -7.621 0.490 1.00 0.00 N ATOM 879 CA PRO A 63 2.122 -8.204 1.088 1.00 0.00 C ATOM 880 C PRO A 63 2.281 -9.693 1.377 1.00 0.00 C ATOM 881 O PRO A 63 3.338 -10.272 1.130 1.00 0.00 O ATOM 882 CB PRO A 63 1.050 -7.977 0.020 1.00 0.00 C ATOM 883 CG PRO A 63 1.805 -7.889 -1.261 1.00 0.00 C ATOM 884 CD PRO A 63 3.125 -7.253 -0.921 1.00 0.00 C ATOM 0 HA PRO A 63 1.885 -7.752 2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.331 -8.796 0.000 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.487 -7.063 0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.949 -8.877 -1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.262 -7.293 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.928 -7.631 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.096 -6.172 -1.054 1.00 0.00 H new ATOM 892 N GLN A 64 1.223 -10.306 1.899 1.00 0.00 N ATOM 893 CA GLN A 64 1.247 -11.728 2.221 1.00 0.00 C ATOM 894 C GLN A 64 0.237 -12.494 1.373 1.00 0.00 C ATOM 895 O GLN A 64 -0.564 -11.897 0.655 1.00 0.00 O ATOM 896 CB GLN A 64 0.949 -11.941 3.706 1.00 0.00 C ATOM 897 CG GLN A 64 2.081 -11.503 4.622 1.00 0.00 C ATOM 898 CD GLN A 64 3.376 -12.241 4.343 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.658 -13.274 4.951 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.171 -11.713 3.420 1.00 0.00 N ATOM 0 H GLN A 64 0.340 -9.841 2.108 1.00 0.00 H new ATOM 0 HA GLN A 64 2.244 -12.109 2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.046 -11.391 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.741 -12.997 3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.245 -10.432 4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.789 -11.669 5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.897 -10.855 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.056 -12.165 3.190 1.00 0.00 H new ATOM 909 N GLU A 65 0.283 -13.820 1.461 1.00 0.00 N ATOM 910 CA GLU A 65 -0.628 -14.667 0.700 1.00 0.00 C ATOM 911 C GLU A 65 -1.971 -14.799 1.412 1.00 0.00 C ATOM 912 O GLU A 65 -2.027 -15.111 2.601 1.00 0.00 O ATOM 913 CB GLU A 65 -0.014 -16.052 0.487 1.00 0.00 C ATOM 914 CG GLU A 65 0.070 -16.883 1.756 1.00 0.00 C ATOM 915 CD GLU A 65 0.771 -18.210 1.540 1.00 0.00 C ATOM 916 OE1 GLU A 65 1.636 -18.284 0.642 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.454 -19.175 2.267 1.00 0.00 O ATOM 0 H GLU A 65 0.941 -14.330 2.051 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.795 -14.198 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.605 -16.592 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.987 -15.936 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.600 -16.317 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.936 -17.065 2.134 1.00 0.00 H new ATOM 924 N MET A 66 -3.051 -14.559 0.675 1.00 0.00 N ATOM 925 CA MET A 66 -4.394 -14.651 1.235 1.00 0.00 C ATOM 926 C MET A 66 -4.475 -13.929 2.576 1.00 0.00 C ATOM 927 O MET A 66 -4.907 -14.501 3.576 1.00 0.00 O ATOM 928 CB MET A 66 -4.799 -16.117 1.407 1.00 0.00 C ATOM 929 CG MET A 66 -5.032 -16.841 0.091 1.00 0.00 C ATOM 930 SD MET A 66 -3.504 -17.457 -0.642 1.00 0.00 S ATOM 931 CE MET A 66 -3.219 -16.228 -1.913 1.00 0.00 C ATOM 0 H MET A 66 -3.022 -14.299 -0.311 1.00 0.00 H new ATOM 0 HA MET A 66 -5.083 -14.170 0.541 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.021 -16.637 1.966 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.709 -16.166 2.006 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.714 -17.675 0.255 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.520 -16.164 -0.610 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.294 -16.696 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.965 -15.438 -1.829 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.224 -15.801 -1.790 1.00 0.00 H new ATOM 941 N GLY A 67 -4.055 -12.667 2.590 1.00 0.00 N ATOM 942 CA GLY A 67 -4.088 -11.888 3.814 1.00 0.00 C ATOM 943 C GLY A 67 -4.412 -10.428 3.564 1.00 0.00 C ATOM 944 O GLY A 67 -3.806 -9.788 2.705 1.00 0.00 O ATOM 0 H GLY A 67 -3.693 -12.171 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.831 -12.311 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.122 -11.962 4.314 1.00 0.00 H new ATOM 948 N VAL A 68 -5.374 -9.900 4.315 1.00 0.00 N ATOM 949 CA VAL A 68 -5.779 -8.507 4.170 1.00 0.00 C ATOM 950 C VAL A 68 -4.973 -7.602 5.094 1.00 0.00 C ATOM 951 O VAL A 68 -5.035 -7.732 6.317 1.00 0.00 O ATOM 952 CB VAL A 68 -7.278 -8.325 4.470 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.679 -6.865 4.324 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.115 -9.209 3.558 1.00 0.00 C ATOM 0 H VAL A 68 -5.887 -10.416 5.030 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.587 -8.227 3.134 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.463 -8.627 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.742 -6.756 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.103 -6.258 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.480 -6.533 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.172 -9.068 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.927 -8.941 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.847 -10.253 3.717 1.00 0.00 H new ATOM 964 N HIS A 69 -4.217 -6.683 4.502 1.00 0.00 N ATOM 965 CA HIS A 69 -3.399 -5.753 5.273 1.00 0.00 C ATOM 966 C HIS A 69 -3.972 -4.341 5.206 1.00 0.00 C ATOM 967 O HIS A 69 -4.713 -4.003 4.282 1.00 0.00 O ATOM 968 CB HIS A 69 -1.960 -5.758 4.755 1.00 0.00 C ATOM 969 CG HIS A 69 -1.390 -7.132 4.580 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.868 -8.031 3.651 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.376 -7.758 5.221 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.173 -9.152 3.729 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.261 -9.012 4.674 1.00 0.00 N ATOM 0 H HIS A 69 -4.154 -6.562 3.491 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.404 -6.078 6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.925 -5.235 3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.331 -5.199 5.448 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.638 -7.858 3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.230 -7.348 6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.325 -10.033 3.123 1.00 0.00 H new ATOM 982 N THR A 70 -3.624 -3.519 6.191 1.00 0.00 N ATOM 983 CA THR A 70 -4.105 -2.144 6.245 1.00 0.00 C ATOM 984 C THR A 70 -2.944 -1.157 6.283 1.00 0.00 C ATOM 985 O THR A 70 -2.068 -1.245 7.143 1.00 0.00 O ATOM 986 CB THR A 70 -5.002 -1.911 7.475 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.806 -3.070 7.723 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.900 -0.700 7.269 1.00 0.00 C ATOM 0 H THR A 70 -3.011 -3.782 6.962 1.00 0.00 H new ATOM 0 HA THR A 70 -4.690 -1.978 5.341 1.00 0.00 H new ATOM 0 HB THR A 70 -4.359 -1.725 8.335 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.372 -2.914 8.508 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.524 -0.556 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.285 0.186 7.110 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.535 -0.862 6.398 1.00 0.00 H new ATOM 996 N VAL A 71 -2.944 -0.215 5.344 1.00 0.00 N ATOM 997 CA VAL A 71 -1.891 0.791 5.271 1.00 0.00 C ATOM 998 C VAL A 71 -2.233 2.007 6.124 1.00 0.00 C ATOM 999 O VAL A 71 -3.095 2.809 5.762 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.650 1.246 3.819 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.440 2.164 3.742 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.476 0.043 2.906 1.00 0.00 C ATOM 0 H VAL A 71 -3.661 -0.128 4.624 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.982 0.327 5.654 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.523 1.805 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.285 2.476 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.610 3.043 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.443 1.633 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.307 0.383 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.621 -0.546 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.375 -0.572 2.939 1.00 0.00 H new ATOM 1012 N SER A 72 -1.552 2.139 7.257 1.00 0.00 N ATOM 1013 CA SER A 72 -1.786 3.257 8.164 1.00 0.00 C ATOM 1014 C SER A 72 -0.893 4.441 7.809 1.00 0.00 C ATOM 1015 O SER A 72 0.293 4.460 8.139 1.00 0.00 O ATOM 1016 CB SER A 72 -1.533 2.829 9.611 1.00 0.00 C ATOM 1017 OG SER A 72 -2.265 3.635 10.517 1.00 0.00 O ATOM 0 H SER A 72 -0.834 1.486 7.569 1.00 0.00 H new ATOM 0 HA SER A 72 -2.826 3.565 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.816 1.784 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.468 2.901 9.834 1.00 0.00 H new ATOM 0 HG SER A 72 -2.087 3.340 11.434 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.471 5.428 7.132 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.729 6.618 6.732 1.00 0.00 C ATOM 1025 C VAL A 73 -1.188 7.842 7.516 1.00 0.00 C ATOM 1026 O VAL A 73 -2.245 8.410 7.241 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.889 6.898 5.225 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.002 8.059 4.801 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.571 5.650 4.415 1.00 0.00 C ATOM 0 H VAL A 73 -2.451 5.427 6.849 1.00 0.00 H new ATOM 0 HA VAL A 73 0.321 6.424 6.950 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.926 7.174 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.128 8.242 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.282 8.953 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.040 7.815 5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.689 5.866 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.456 5.341 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.252 4.848 4.700 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.386 8.244 8.496 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.707 9.403 9.321 1.00 0.00 C ATOM 1041 C LYS A 74 0.212 10.575 8.994 1.00 0.00 C ATOM 1042 O LYS A 74 1.364 10.384 8.606 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.587 9.046 10.805 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.871 8.498 11.404 1.00 0.00 C ATOM 1045 CD LYS A 74 -1.968 8.804 12.890 1.00 0.00 C ATOM 1046 CE LYS A 74 -0.624 8.634 13.582 1.00 0.00 C ATOM 1047 NZ LYS A 74 -0.779 8.418 15.047 1.00 0.00 N ATOM 0 H LYS A 74 0.492 7.784 8.739 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.734 9.698 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.206 8.309 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.287 9.934 11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.728 8.929 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.914 7.420 11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.324 9.825 13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.702 8.144 13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.094 7.788 13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.011 9.518 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.159 8.307 15.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.262 9.236 15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.342 7.560 15.214 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.306 11.788 9.153 1.00 0.00 N ATOM 1062 CA TYR A 75 0.468 12.992 8.873 1.00 0.00 C ATOM 1063 C TYR A 75 0.390 13.973 10.039 1.00 0.00 C ATOM 1064 O TYR A 75 -0.679 14.494 10.356 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.037 13.662 7.594 1.00 0.00 C ATOM 1066 CG TYR A 75 0.524 15.049 7.375 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.874 15.240 7.107 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.296 16.169 7.438 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.391 16.505 6.907 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.212 17.438 7.238 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.556 17.601 6.973 1.00 0.00 C ATOM 1072 OH TYR A 75 2.066 18.863 6.774 1.00 0.00 O ATOM 0 H TYR A 75 -1.258 11.964 9.474 1.00 0.00 H new ATOM 0 HA TYR A 75 1.509 12.700 8.736 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.221 13.036 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.125 13.721 7.630 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.531 14.384 7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.348 16.045 7.647 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.443 16.635 6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.440 18.298 7.289 1.00 0.00 H new ATOM 0 HH TYR A 75 1.346 19.523 6.853 1.00 0.00 H new ATOM 1082 N ARG A 76 1.532 14.219 10.673 1.00 0.00 N ATOM 1083 CA ARG A 76 1.595 15.137 11.805 1.00 0.00 C ATOM 1084 C ARG A 76 0.648 14.695 12.917 1.00 0.00 C ATOM 1085 O ARG A 76 0.127 15.519 13.667 1.00 0.00 O ATOM 1086 CB ARG A 76 1.244 16.557 11.357 1.00 0.00 C ATOM 1087 CG ARG A 76 2.158 17.096 10.268 1.00 0.00 C ATOM 1088 CD ARG A 76 3.349 17.835 10.856 1.00 0.00 C ATOM 1089 NE ARG A 76 2.958 18.723 11.948 1.00 0.00 N ATOM 1090 CZ ARG A 76 3.808 19.192 12.855 1.00 0.00 C ATOM 1091 NH1 ARG A 76 5.091 18.860 12.800 1.00 0.00 N ATOM 1092 NH2 ARG A 76 3.376 19.995 13.818 1.00 0.00 N ATOM 0 H ARG A 76 2.426 13.796 10.423 1.00 0.00 H new ATOM 0 HA ARG A 76 2.614 15.126 12.193 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.216 16.571 10.996 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.289 17.222 12.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.510 16.273 9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.596 17.768 9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.080 17.113 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.837 18.416 10.074 1.00 0.00 H new ATOM 0 HE ARG A 76 1.978 18.998 12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.427 18.243 12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.742 19.221 13.497 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.390 20.253 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.030 20.354 14.514 1.00 0.00 H new ATOM 1106 N GLY A 77 0.430 13.387 13.016 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.454 12.857 14.038 1.00 0.00 C ATOM 1108 C GLY A 77 -1.915 12.949 13.645 1.00 0.00 C ATOM 1109 O GLY A 77 -2.788 13.067 14.504 1.00 0.00 O ATOM 0 H GLY A 77 0.850 12.685 12.407 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.198 11.815 14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.296 13.402 14.969 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.181 12.897 12.344 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.547 12.978 11.840 1.00 0.00 C ATOM 1115 C GLN A 78 -3.722 12.107 10.600 1.00 0.00 C ATOM 1116 O GLN A 78 -2.984 12.244 9.624 1.00 0.00 O ATOM 1117 CB GLN A 78 -3.907 14.428 11.514 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.230 15.265 12.742 1.00 0.00 C ATOM 1119 CD GLN A 78 -5.642 15.040 13.247 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -6.124 13.907 13.292 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -6.313 16.119 13.631 1.00 0.00 N ATOM 0 H GLN A 78 -1.469 12.799 11.620 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.217 12.611 12.617 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.077 14.888 10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.765 14.438 10.841 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.522 15.027 13.536 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.098 16.320 12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.875 17.038 13.577 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.267 16.029 13.980 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.702 11.211 10.647 1.00 0.00 N ATOM 1131 CA HIS A 79 -4.974 10.317 9.526 1.00 0.00 C ATOM 1132 C HIS A 79 -5.519 11.094 8.332 1.00 0.00 C ATOM 1133 O HIS A 79 -6.458 11.879 8.464 1.00 0.00 O ATOM 1134 CB HIS A 79 -5.970 9.233 9.941 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.323 8.031 10.559 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -5.008 6.895 9.844 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -4.932 7.793 11.833 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.451 6.010 10.652 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -4.394 6.530 11.864 1.00 0.00 N ATOM 0 H HIS A 79 -5.321 11.084 11.448 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.036 9.845 9.233 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.682 9.657 10.649 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.539 8.920 9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.026 8.470 12.669 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.102 5.028 10.369 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.012 6.068 12.690 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.923 10.870 7.165 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.349 11.548 5.946 1.00 0.00 C ATOM 1150 C VAL A 80 -6.657 10.967 5.422 1.00 0.00 C ATOM 1151 O VAL A 80 -7.186 10.001 5.973 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.277 11.447 4.844 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -3.036 12.236 5.232 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.930 9.992 4.571 1.00 0.00 C ATOM 0 H VAL A 80 -4.144 10.224 7.038 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.498 12.597 6.203 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.681 11.879 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.290 12.153 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.300 13.284 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.627 11.837 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.171 9.939 3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.546 9.533 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.824 9.460 4.245 1.00 0.00 H new ATOM 1164 N THR A 81 -7.177 11.563 4.353 1.00 0.00 N ATOM 1165 CA THR A 81 -8.424 11.106 3.754 1.00 0.00 C ATOM 1166 C THR A 81 -8.278 9.698 3.187 1.00 0.00 C ATOM 1167 O THR A 81 -7.287 9.383 2.531 1.00 0.00 O ATOM 1168 CB THR A 81 -8.889 12.054 2.632 1.00 0.00 C ATOM 1169 OG1 THR A 81 -10.299 11.914 2.426 1.00 0.00 O ATOM 1170 CG2 THR A 81 -8.150 11.760 1.335 1.00 0.00 C ATOM 0 H THR A 81 -6.753 12.364 3.885 1.00 0.00 H new ATOM 0 HA THR A 81 -9.172 11.100 4.547 1.00 0.00 H new ATOM 0 HB THR A 81 -8.666 13.077 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.587 12.521 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.495 12.441 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.079 11.895 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.346 10.732 1.030 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.274 8.856 3.444 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.237 7.491 2.951 1.00 0.00 C ATOM 1180 C GLY A 82 -8.508 6.554 3.894 1.00 0.00 C ATOM 1181 O GLY A 82 -8.911 5.404 4.071 1.00 0.00 O ATOM 0 H GLY A 82 -10.106 9.094 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.256 7.133 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.749 7.473 1.976 1.00 0.00 H new ATOM 1185 N SER A 83 -7.432 7.045 4.499 1.00 0.00 N ATOM 1186 CA SER A 83 -6.641 6.241 5.424 1.00 0.00 C ATOM 1187 C SER A 83 -7.414 5.980 6.713 1.00 0.00 C ATOM 1188 O SER A 83 -8.191 6.813 7.181 1.00 0.00 O ATOM 1189 CB SER A 83 -5.319 6.942 5.741 1.00 0.00 C ATOM 1190 OG SER A 83 -4.680 6.346 6.856 1.00 0.00 O ATOM 0 H SER A 83 -7.087 7.996 4.366 1.00 0.00 H new ATOM 0 HA SER A 83 -6.430 5.284 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.661 6.895 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.503 7.997 5.944 1.00 0.00 H new ATOM 0 HG SER A 83 -5.014 6.755 7.682 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.197 4.795 7.303 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.275 3.796 6.755 1.00 0.00 C ATOM 1198 C PRO A 84 -6.797 3.169 5.467 1.00 0.00 C ATOM 1199 O PRO A 84 -8.006 3.066 5.261 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.190 2.745 7.865 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.471 2.882 8.614 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.835 4.339 8.549 1.00 0.00 C ATOM 0 HA PRO A 84 -5.313 4.233 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.077 1.742 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.331 2.922 8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.251 2.265 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.356 2.554 9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.915 4.482 8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.461 4.885 9.415 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.878 2.752 4.602 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.247 2.136 3.333 1.00 0.00 C ATOM 1212 C PHE A 85 -6.214 0.614 3.438 1.00 0.00 C ATOM 1213 O PHE A 85 -5.153 0.017 3.616 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.303 2.602 2.222 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.400 4.073 1.933 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.468 4.582 1.212 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.422 4.946 2.381 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.559 5.934 0.943 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.508 6.300 2.116 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.578 6.795 1.397 1.00 0.00 C ATOM 0 H PHE A 85 -4.873 2.830 4.757 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.264 2.444 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.278 2.361 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.523 2.045 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.238 3.914 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.583 4.564 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.396 6.318 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.739 6.970 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.648 7.853 1.190 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.384 -0.006 3.326 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.490 -1.458 3.409 1.00 0.00 C ATOM 1232 C GLN A 86 -7.492 -2.084 2.018 1.00 0.00 C ATOM 1233 O GLN A 86 -8.232 -1.654 1.134 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.760 -1.856 4.163 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.667 -3.216 4.836 1.00 0.00 C ATOM 1236 CD GLN A 86 -10.028 -3.820 5.120 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.589 -4.534 4.289 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.567 -3.536 6.300 1.00 0.00 N ATOM 0 H GLN A 86 -8.272 0.474 3.178 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.622 -1.830 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.976 -1.100 4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.599 -1.861 3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.098 -3.894 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.115 -3.118 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.067 -2.940 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.481 -3.914 6.547 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.659 -3.103 1.832 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.564 -3.788 0.548 1.00 0.00 C ATOM 1249 C PHE A 87 -6.355 -5.287 0.745 1.00 0.00 C ATOM 1250 O PHE A 87 -5.852 -5.725 1.780 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.417 -3.207 -0.281 1.00 0.00 C ATOM 1252 CG PHE A 87 -4.057 -3.614 0.210 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.607 -4.914 0.045 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.228 -2.697 0.835 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.356 -5.291 0.496 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.976 -3.068 1.288 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.539 -4.367 1.117 1.00 0.00 C ATOM 0 H PHE A 87 -6.040 -3.472 2.554 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.502 -3.637 0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.531 -3.525 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.487 -2.119 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.241 -5.641 -0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.564 -1.680 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.018 -6.308 0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.340 -2.343 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.560 -4.659 1.468 1.00 0.00 H new ATOM 1267 N THR A 88 -6.747 -6.069 -0.255 1.00 0.00 N ATOM 1268 CA THR A 88 -6.605 -7.519 -0.193 1.00 0.00 C ATOM 1269 C THR A 88 -5.512 -8.005 -1.137 1.00 0.00 C ATOM 1270 O THR A 88 -5.343 -7.473 -2.234 1.00 0.00 O ATOM 1271 CB THR A 88 -7.926 -8.228 -0.545 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.013 -7.620 0.161 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.855 -9.708 -0.199 1.00 0.00 C ATOM 0 H THR A 88 -7.166 -5.723 -1.118 1.00 0.00 H new ATOM 0 HA THR A 88 -6.331 -7.767 0.833 1.00 0.00 H new ATOM 0 HB THR A 88 -8.090 -8.129 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.849 -8.076 -0.070 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.799 -10.188 -0.456 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.046 -10.175 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.669 -9.824 0.869 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.772 -9.021 -0.705 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.696 -9.582 -1.513 1.00 0.00 C ATOM 1283 C VAL A 89 -4.194 -10.747 -2.360 1.00 0.00 C ATOM 1284 O VAL A 89 -4.925 -11.611 -1.877 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.526 -10.063 -0.635 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.380 -10.566 -1.499 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.059 -8.947 0.288 1.00 0.00 C ATOM 0 H VAL A 89 -4.898 -9.473 0.201 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.345 -8.785 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.874 -10.892 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.563 -10.901 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.725 -11.398 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.029 -9.760 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.232 -9.304 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.728 -8.097 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.882 -8.640 0.933 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.792 -10.766 -3.627 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.207 -11.831 -4.522 1.00 0.00 C ATOM 1299 C GLY A 90 -3.048 -12.703 -4.962 1.00 0.00 C ATOM 1300 O GLY A 90 -2.010 -12.771 -4.304 1.00 0.00 O ATOM 0 H GLY A 90 -3.186 -10.063 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.954 -12.449 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.685 -11.398 -5.400 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.220 -13.391 -6.100 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.191 -14.277 -6.652 1.00 0.00 C ATOM 1306 C PRO A 91 -0.987 -13.507 -7.185 1.00 0.00 C ATOM 1307 O PRO A 91 -1.133 -12.427 -7.760 1.00 0.00 O ATOM 1308 CB PRO A 91 -2.915 -14.994 -7.795 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.006 -14.062 -8.195 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.431 -13.358 -6.936 1.00 0.00 C ATOM 0 HA PRO A 91 -1.786 -14.950 -5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.240 -15.194 -8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.314 -15.955 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.656 -13.349 -8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.840 -14.605 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.753 -12.336 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.266 -13.866 -6.454 1.00 0.00 H new ATOM 1318 N LEU A 92 0.201 -14.067 -6.991 1.00 0.00 N ATOM 1319 CA LEU A 92 1.431 -13.433 -7.452 1.00 0.00 C ATOM 1320 C LEU A 92 1.271 -12.904 -8.874 1.00 0.00 C ATOM 1321 O LEU A 92 2.000 -12.010 -9.301 1.00 0.00 O ATOM 1322 CB LEU A 92 2.594 -14.425 -7.393 1.00 0.00 C ATOM 1323 CG LEU A 92 2.421 -15.710 -8.203 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.772 -16.345 -8.493 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.518 -16.688 -7.466 1.00 0.00 C ATOM 0 H LEU A 92 0.339 -14.960 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 92 1.646 -12.592 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.495 -13.919 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.762 -14.696 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 92 1.950 -15.456 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.628 -17.258 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.387 -15.648 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.271 -16.584 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.406 -17.597 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.960 -16.935 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.539 -16.234 -7.311 1.00 0.00 H new ATOM 1337 N GLY A 93 0.308 -13.462 -9.603 1.00 0.00 N ATOM 1338 CA GLY A 93 0.068 -13.033 -10.968 1.00 0.00 C ATOM 1339 C GLY A 93 -0.337 -14.179 -11.873 1.00 0.00 C ATOM 1340 O GLY A 93 -1.111 -15.049 -11.474 1.00 0.00 O ATOM 0 H GLY A 93 -0.310 -14.203 -9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.715 -12.275 -10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.970 -12.564 -11.362 1.00 0.00 H new ATOM 1344 N GLU A 94 0.185 -14.179 -13.096 1.00 0.00 N ATOM 1345 CA GLU A 94 -0.130 -15.227 -14.060 1.00 0.00 C ATOM 1346 C GLU A 94 1.030 -16.209 -14.194 1.00 0.00 C ATOM 1347 O GLU A 94 0.938 -17.357 -13.762 1.00 0.00 O ATOM 1348 CB GLU A 94 -0.454 -14.614 -15.424 1.00 0.00 C ATOM 1349 CG GLU A 94 -0.958 -15.624 -16.441 1.00 0.00 C ATOM 1350 CD GLU A 94 -2.314 -16.195 -16.074 1.00 0.00 C ATOM 1351 OE1 GLU A 94 -3.286 -15.414 -16.005 1.00 0.00 O ATOM 1352 OE2 GLU A 94 -2.403 -17.421 -15.856 1.00 0.00 O ATOM 0 H GLU A 94 0.827 -13.466 -13.442 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.003 -15.770 -13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.206 -13.836 -15.294 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.440 -14.130 -15.817 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.021 -15.148 -17.420 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.237 -16.437 -16.528 1.00 0.00 H new ATOM 1359 N GLY A 95 2.121 -15.749 -14.798 1.00 0.00 N ATOM 1360 CA GLY A 95 3.283 -16.599 -14.980 1.00 0.00 C ATOM 1361 C GLY A 95 3.135 -17.539 -16.160 1.00 0.00 C ATOM 1362 O GLY A 95 2.041 -17.704 -16.698 1.00 0.00 O ATOM 0 H GLY A 95 2.221 -14.802 -15.165 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.166 -15.976 -15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.449 -17.182 -14.074 1.00 0.00 H new ATOM 1366 N GLY A 96 4.241 -18.156 -16.566 1.00 0.00 N ATOM 1367 CA GLY A 96 4.208 -19.075 -17.688 1.00 0.00 C ATOM 1368 C GLY A 96 5.518 -19.815 -17.871 1.00 0.00 C ATOM 1369 O GLY A 96 6.478 -19.582 -17.136 1.00 0.00 O ATOM 0 H GLY A 96 5.159 -18.035 -16.138 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.405 -19.796 -17.539 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.976 -18.523 -18.599 1.00 0.00 H new ATOM 1373 N SER A 97 5.559 -20.710 -18.853 1.00 0.00 N ATOM 1374 CA SER A 97 6.760 -21.490 -19.126 1.00 0.00 C ATOM 1375 C SER A 97 7.893 -20.592 -19.614 1.00 0.00 C ATOM 1376 O SER A 97 7.688 -19.716 -20.453 1.00 0.00 O ATOM 1377 CB SER A 97 6.466 -22.571 -20.169 1.00 0.00 C ATOM 1378 OG SER A 97 7.331 -23.682 -20.010 1.00 0.00 O ATOM 0 H SER A 97 4.774 -20.913 -19.472 1.00 0.00 H new ATOM 0 HA SER A 97 7.072 -21.966 -18.197 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.430 -22.897 -20.077 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.582 -22.156 -21.170 1.00 0.00 H new ATOM 0 HG SER A 97 7.122 -24.359 -20.687 1.00 0.00 H new ATOM 1384 N GLY A 98 9.090 -20.816 -19.081 1.00 0.00 N ATOM 1385 CA GLY A 98 10.238 -20.020 -19.473 1.00 0.00 C ATOM 1386 C GLY A 98 11.529 -20.813 -19.449 1.00 0.00 C ATOM 1387 O GLY A 98 11.906 -21.456 -20.429 1.00 0.00 O ATOM 0 H GLY A 98 9.285 -21.535 -18.384 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.077 -19.625 -20.476 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.328 -19.164 -18.804 1.00 0.00 H new ATOM 1391 N PRO A 99 12.233 -20.772 -18.308 1.00 0.00 N ATOM 1392 CA PRO A 99 13.501 -21.487 -18.133 1.00 0.00 C ATOM 1393 C PRO A 99 13.312 -22.999 -18.078 1.00 0.00 C ATOM 1394 O PRO A 99 12.648 -23.518 -17.180 1.00 0.00 O ATOM 1395 CB PRO A 99 14.021 -20.963 -16.792 1.00 0.00 C ATOM 1396 CG PRO A 99 12.801 -20.531 -16.055 1.00 0.00 C ATOM 1397 CD PRO A 99 11.844 -20.027 -17.099 1.00 0.00 C ATOM 0 HA PRO A 99 14.183 -21.317 -18.966 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.560 -21.738 -16.246 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.713 -20.133 -16.933 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.368 -21.361 -15.497 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.038 -19.750 -15.333 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.808 -20.223 -16.822 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.937 -18.951 -17.243 1.00 0.00 H new ATOM 1405 N SER A 100 13.899 -23.700 -19.042 1.00 0.00 N ATOM 1406 CA SER A 100 13.792 -25.153 -19.104 1.00 0.00 C ATOM 1407 C SER A 100 15.171 -25.802 -19.041 1.00 0.00 C ATOM 1408 O SER A 100 16.171 -25.201 -19.433 1.00 0.00 O ATOM 1409 CB SER A 100 13.074 -25.578 -20.387 1.00 0.00 C ATOM 1410 OG SER A 100 11.667 -25.509 -20.230 1.00 0.00 O ATOM 0 H SER A 100 14.454 -23.286 -19.791 1.00 0.00 H new ATOM 0 HA SER A 100 13.212 -25.487 -18.244 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.383 -24.935 -21.211 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.364 -26.595 -20.650 1.00 0.00 H new ATOM 0 HG SER A 100 11.231 -25.784 -21.064 1.00 0.00 H new ATOM 1416 N SER A 101 15.216 -27.034 -18.544 1.00 0.00 N ATOM 1417 CA SER A 101 16.472 -27.766 -18.425 1.00 0.00 C ATOM 1418 C SER A 101 17.052 -28.076 -19.802 1.00 0.00 C ATOM 1419 O SER A 101 16.826 -29.151 -20.355 1.00 0.00 O ATOM 1420 CB SER A 101 16.258 -29.064 -17.644 1.00 0.00 C ATOM 1421 OG SER A 101 15.387 -29.940 -18.339 1.00 0.00 O ATOM 0 H SER A 101 14.397 -27.547 -18.217 1.00 0.00 H new ATOM 0 HA SER A 101 17.181 -27.139 -17.885 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.217 -29.555 -17.479 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.843 -28.837 -16.662 1.00 0.00 H new ATOM 0 HG SER A 101 15.704 -30.054 -19.259 1.00 0.00 H new ATOM 1427 N GLY A 102 17.802 -27.124 -20.349 1.00 0.00 N ATOM 1428 CA GLY A 102 18.404 -27.314 -21.656 1.00 0.00 C ATOM 1429 C GLY A 102 19.574 -26.380 -21.896 1.00 0.00 C ATOM 1430 O GLY A 102 20.686 -26.636 -21.434 1.00 0.00 O ATOM 0 H GLY A 102 18.003 -26.225 -19.911 1.00 0.00 H new ATOM 0 HA2 GLY A 102 18.741 -28.346 -21.751 1.00 0.00 H new ATOM 0 HA3 GLY A 102 17.650 -27.153 -22.427 1.00 0.00 H new TER 1434 GLY A 102