USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 786 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 78 THR OG1 : rot 160:sc= 0.469 USER MOD Set 1.2: A 80 SER OG : rot -165:sc= 0.593 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 145:sc= 1.12 (180deg=1.06) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 GLN : amide:sc= -2.06 K(o=-2.1,f=-3) USER MOD Set 3.2: A 105 MET CE :methyl 153:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -175:sc= 0.158 (180deg=0.152) USER MOD Single : A 1 SER OG : rot -170:sc= -0.126 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 130:sc= -0.729! USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4.1!) USER MOD Single : A 23 THR OG1 : rot -57:sc= 1.15 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.211 F(o=-2.2,f=-0.21) USER MOD Single : A 32 THR OG1 : rot 89:sc= 0.0343 USER MOD Single : A 33 SER OG : rot -64:sc= -1.36! USER MOD Single : A 36 SER OG : rot 180:sc= -0.772 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -4.48! C(o=-5.3!,f=-4.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0502 K(o=-0.05,f=-1) USER MOD Single : A 54 GLN :FLIP amide:sc= -9.09! C(o=-10!,f=-9.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 68 GLN : amide:sc= -1.1! X(o=-1.1!,f=-1.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.513 F(o=-4.6,f=-0.51) USER MOD Single : A 72 SER OG : rot -48:sc= 0.478 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -0.0182 (180deg=-0.223) USER MOD Single : A 84 SER OG : rot 21:sc= -5.14! USER MOD Single : A 86 MET CE :methyl 177:sc= -2.82 (180deg=-2.98) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.62! C(o=-6!,f=-3.6!) USER MOD Single : A 96 LYS NZ :NH3+ -131:sc= 0.0701 (180deg=-0.235) USER MOD Single : A 103 GLN : amide:sc= -8.56! C(o=-8.6!,f=-18!) USER MOD Single : A 107 HIS : no HE2:sc= -3.24! C(o=-3.2!,f=-3.7!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.298 -3.741 -10.355 1.00 0.00 N ATOM 2 CA SER A 1 3.397 -2.604 -9.403 1.00 0.00 C ATOM 3 C SER A 1 4.503 -2.846 -8.381 1.00 0.00 C ATOM 4 O SER A 1 5.468 -2.085 -8.303 1.00 0.00 O ATOM 5 CB SER A 1 2.063 -2.401 -8.683 1.00 0.00 C ATOM 6 OG SER A 1 1.692 -3.562 -7.958 1.00 0.00 O ATOM 0 H1 SER A 1 2.598 -3.518 -11.091 1.00 0.00 H new ATOM 0 H2 SER A 1 4.225 -3.905 -10.797 1.00 0.00 H new ATOM 0 H3 SER A 1 3.002 -4.597 -9.844 1.00 0.00 H new ATOM 0 HA SER A 1 3.640 -1.706 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.139 -1.553 -8.003 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.287 -2.159 -9.409 1.00 0.00 H new ATOM 0 HG SER A 1 0.770 -3.468 -7.639 1.00 0.00 H new ATOM 14 N ILE A 2 4.353 -3.909 -7.597 1.00 0.00 N ATOM 15 CA ILE A 2 5.338 -4.254 -6.581 1.00 0.00 C ATOM 16 C ILE A 2 6.349 -5.265 -7.114 1.00 0.00 C ATOM 17 O ILE A 2 7.549 -5.163 -6.859 1.00 0.00 O ATOM 18 CB ILE A 2 4.670 -4.836 -5.330 1.00 0.00 C ATOM 19 CG1 ILE A 2 3.813 -3.791 -4.672 1.00 0.00 C ATOM 20 CG2 ILE A 2 5.718 -5.355 -4.366 1.00 0.00 C ATOM 21 CD1 ILE A 2 3.190 -4.262 -3.393 1.00 0.00 C ATOM 0 H ILE A 2 3.558 -4.546 -7.647 1.00 0.00 H new ATOM 0 HA ILE A 2 5.853 -3.331 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 2 4.035 -5.671 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.418 -2.907 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.026 -3.488 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.229 -5.765 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.304 -6.135 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.376 -4.538 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.584 -3.462 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.559 -5.128 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.973 -4.539 -2.687 1.00 0.00 H new ATOM 33 N THR A 3 5.844 -6.233 -7.857 1.00 0.00 N ATOM 34 CA THR A 3 6.678 -7.278 -8.433 1.00 0.00 C ATOM 35 C THR A 3 7.797 -6.686 -9.283 1.00 0.00 C ATOM 36 O THR A 3 8.767 -7.375 -9.598 1.00 0.00 O ATOM 37 CB THR A 3 5.849 -8.246 -9.296 1.00 0.00 C ATOM 38 OG1 THR A 3 5.248 -7.539 -10.387 1.00 0.00 O ATOM 39 CG2 THR A 3 4.769 -8.917 -8.461 1.00 0.00 C ATOM 0 H THR A 3 4.852 -6.319 -8.078 1.00 0.00 H new ATOM 0 HA THR A 3 7.114 -7.829 -7.599 1.00 0.00 H new ATOM 0 HB THR A 3 6.515 -9.014 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.724 -8.163 -10.932 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.194 -9.597 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.232 -9.477 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.106 -8.158 -8.046 1.00 0.00 H new ATOM 47 N ASP A 4 7.661 -5.409 -9.663 1.00 0.00 N ATOM 48 CA ASP A 4 8.702 -4.727 -10.435 1.00 0.00 C ATOM 49 C ASP A 4 10.068 -5.067 -9.842 1.00 0.00 C ATOM 50 O ASP A 4 10.967 -5.531 -10.543 1.00 0.00 O ATOM 51 CB ASP A 4 8.478 -3.213 -10.427 1.00 0.00 C ATOM 52 CG ASP A 4 7.202 -2.817 -11.144 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.126 -2.869 -10.513 1.00 0.00 O ATOM 54 OD2 ASP A 4 7.280 -2.452 -12.336 1.00 0.00 O ATOM 0 H ASP A 4 6.847 -4.833 -9.450 1.00 0.00 H new ATOM 0 HA ASP A 4 8.660 -5.065 -11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.438 -2.859 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.327 -2.720 -10.901 1.00 0.00 H new ATOM 59 N ILE A 5 10.207 -4.830 -8.538 1.00 0.00 N ATOM 60 CA ILE A 5 11.430 -5.173 -7.825 1.00 0.00 C ATOM 61 C ILE A 5 11.073 -5.704 -6.434 1.00 0.00 C ATOM 62 O ILE A 5 10.928 -4.942 -5.483 1.00 0.00 O ATOM 63 CB ILE A 5 12.337 -3.935 -7.671 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.412 -3.159 -8.989 1.00 0.00 C ATOM 65 CG2 ILE A 5 13.728 -4.343 -7.213 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.860 -1.726 -8.821 1.00 0.00 C ATOM 0 H ILE A 5 9.486 -4.402 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 5 11.963 -5.933 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 5 11.904 -3.285 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.100 -3.669 -9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.431 -3.171 -9.465 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.352 -3.455 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.660 -4.852 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.171 -5.015 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.890 -1.238 -9.795 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.160 -1.200 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 5 13.854 -1.706 -8.374 1.00 0.00 H new ATOM 78 N LEU A 6 10.948 -7.027 -6.340 1.00 0.00 N ATOM 79 CA LEU A 6 10.607 -7.679 -5.075 1.00 0.00 C ATOM 80 C LEU A 6 10.648 -9.202 -5.171 1.00 0.00 C ATOM 81 O LEU A 6 10.687 -9.769 -6.263 1.00 0.00 O ATOM 82 CB LEU A 6 9.213 -7.241 -4.620 1.00 0.00 C ATOM 83 CG LEU A 6 9.178 -6.306 -3.411 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.831 -4.887 -3.834 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.178 -6.816 -2.383 1.00 0.00 C ATOM 0 H LEU A 6 11.077 -7.668 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 6 11.359 -7.372 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.717 -6.746 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.630 -8.132 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 6 10.169 -6.290 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.812 -4.240 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.580 -4.523 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.851 -4.879 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.161 -6.142 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.185 -6.858 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.470 -7.813 -2.055 1.00 0.00 H new ATOM 97 N SER A 7 10.639 -9.854 -4.011 1.00 0.00 N ATOM 98 CA SER A 7 10.583 -11.313 -3.957 1.00 0.00 C ATOM 99 C SER A 7 9.134 -11.734 -4.101 1.00 0.00 C ATOM 100 O SER A 7 8.301 -11.406 -3.255 1.00 0.00 O ATOM 101 CB SER A 7 11.141 -11.877 -2.645 1.00 0.00 C ATOM 102 OG SER A 7 10.538 -13.119 -2.322 1.00 0.00 O ATOM 0 H SER A 7 10.670 -9.398 -3.099 1.00 0.00 H new ATOM 0 HA SER A 7 11.201 -11.707 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.220 -12.005 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.968 -11.165 -1.838 1.00 0.00 H new ATOM 0 HG SER A 7 11.234 -13.777 -2.117 1.00 0.00 H new ATOM 108 N ALA A 8 8.827 -12.456 -5.162 1.00 0.00 N ATOM 109 CA ALA A 8 7.462 -12.896 -5.385 1.00 0.00 C ATOM 110 C ALA A 8 6.965 -13.676 -4.179 1.00 0.00 C ATOM 111 O ALA A 8 5.815 -13.535 -3.764 1.00 0.00 O ATOM 112 CB ALA A 8 7.371 -13.740 -6.646 1.00 0.00 C ATOM 0 H ALA A 8 9.495 -12.748 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 8 6.828 -12.020 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.340 -14.060 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.696 -13.150 -7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.012 -14.616 -6.545 1.00 0.00 H new ATOM 118 N GLU A 9 7.843 -14.506 -3.625 1.00 0.00 N ATOM 119 CA GLU A 9 7.510 -15.318 -2.470 1.00 0.00 C ATOM 120 C GLU A 9 7.318 -14.453 -1.239 1.00 0.00 C ATOM 121 O GLU A 9 6.293 -14.534 -0.561 1.00 0.00 O ATOM 122 CB GLU A 9 8.639 -16.312 -2.222 1.00 0.00 C ATOM 123 CG GLU A 9 8.809 -17.311 -3.346 1.00 0.00 C ATOM 124 CD GLU A 9 10.007 -18.217 -3.149 1.00 0.00 C ATOM 125 OE1 GLU A 9 11.132 -17.799 -3.495 1.00 0.00 O ATOM 126 OE2 GLU A 9 9.822 -19.347 -2.651 1.00 0.00 O ATOM 0 H GLU A 9 8.797 -14.631 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 9 6.577 -15.847 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.572 -15.766 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.445 -16.849 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.908 -17.919 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.915 -16.775 -4.289 1.00 0.00 H new ATOM 133 N ASP A 10 8.315 -13.623 -0.954 1.00 0.00 N ATOM 134 CA ASP A 10 8.236 -12.737 0.190 1.00 0.00 C ATOM 135 C ASP A 10 6.957 -11.933 0.177 1.00 0.00 C ATOM 136 O ASP A 10 6.422 -11.608 1.231 1.00 0.00 O ATOM 137 CB ASP A 10 9.444 -11.808 0.223 1.00 0.00 C ATOM 138 CG ASP A 10 10.757 -12.563 0.289 1.00 0.00 C ATOM 139 OD1 ASP A 10 10.733 -13.768 0.617 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.810 -11.950 0.013 1.00 0.00 O ATOM 0 H ASP A 10 9.176 -13.549 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 10 8.235 -13.352 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.436 -11.176 -0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.366 -11.146 1.086 1.00 0.00 H new ATOM 145 N ILE A 11 6.452 -11.626 -1.003 1.00 0.00 N ATOM 146 CA ILE A 11 5.220 -10.863 -1.097 1.00 0.00 C ATOM 147 C ILE A 11 4.050 -11.719 -0.613 1.00 0.00 C ATOM 148 O ILE A 11 3.196 -11.253 0.138 1.00 0.00 O ATOM 149 CB ILE A 11 4.999 -10.370 -2.551 1.00 0.00 C ATOM 150 CG1 ILE A 11 5.706 -9.026 -2.763 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.520 -10.253 -2.922 1.00 0.00 C ATOM 152 CD1 ILE A 11 5.646 -8.535 -4.192 1.00 0.00 C ATOM 0 H ILE A 11 6.867 -11.888 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 11 5.288 -9.982 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 11 5.430 -11.123 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.254 -8.279 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.750 -9.121 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.429 -9.904 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.043 -11.228 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.032 -9.543 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.165 -7.580 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.124 -9.263 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.605 -8.408 -4.490 1.00 0.00 H new ATOM 164 N ALA A 12 4.020 -12.968 -1.059 1.00 0.00 N ATOM 165 CA ALA A 12 2.953 -13.870 -0.667 1.00 0.00 C ATOM 166 C ALA A 12 2.931 -14.024 0.835 1.00 0.00 C ATOM 167 O ALA A 12 1.896 -13.864 1.461 1.00 0.00 O ATOM 168 CB ALA A 12 3.118 -15.222 -1.328 1.00 0.00 C ATOM 0 H ALA A 12 4.715 -13.373 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 12 2.005 -13.443 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.306 -15.880 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.095 -15.103 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.072 -15.658 -1.031 1.00 0.00 H new ATOM 174 N ALA A 13 4.077 -14.340 1.414 1.00 0.00 N ATOM 175 CA ALA A 13 4.165 -14.475 2.860 1.00 0.00 C ATOM 176 C ALA A 13 3.878 -13.131 3.509 1.00 0.00 C ATOM 177 O ALA A 13 3.030 -13.010 4.392 1.00 0.00 O ATOM 178 CB ALA A 13 5.537 -14.981 3.271 1.00 0.00 C ATOM 0 H ALA A 13 4.950 -14.506 0.913 1.00 0.00 H new ATOM 0 HA ALA A 13 3.426 -15.203 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.580 -15.074 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.717 -15.955 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.299 -14.277 2.937 1.00 0.00 H new ATOM 184 N ALA A 14 4.611 -12.124 3.047 1.00 0.00 N ATOM 185 CA ALA A 14 4.439 -10.766 3.546 1.00 0.00 C ATOM 186 C ALA A 14 2.964 -10.387 3.540 1.00 0.00 C ATOM 187 O ALA A 14 2.444 -9.844 4.515 1.00 0.00 O ATOM 188 CB ALA A 14 5.230 -9.777 2.701 1.00 0.00 C ATOM 0 H ALA A 14 5.329 -12.223 2.329 1.00 0.00 H new ATOM 0 HA ALA A 14 4.814 -10.728 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.087 -8.769 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.289 -10.033 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.881 -9.819 1.669 1.00 0.00 H new ATOM 194 N LEU A 15 2.298 -10.681 2.432 1.00 0.00 N ATOM 195 CA LEU A 15 0.883 -10.385 2.286 1.00 0.00 C ATOM 196 C LEU A 15 0.033 -11.358 3.076 1.00 0.00 C ATOM 197 O LEU A 15 -0.656 -10.992 4.022 1.00 0.00 O ATOM 198 CB LEU A 15 0.468 -10.465 0.818 1.00 0.00 C ATOM 199 CG LEU A 15 -1.021 -10.207 0.555 1.00 0.00 C ATOM 200 CD1 LEU A 15 -1.531 -9.043 1.393 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.269 -9.949 -0.922 1.00 0.00 C ATOM 0 H LEU A 15 2.720 -11.127 1.617 1.00 0.00 H new ATOM 0 HA LEU A 15 0.725 -9.376 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.053 -9.742 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.724 -11.453 0.436 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.572 -11.101 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.589 -8.882 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.398 -9.270 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.971 -8.142 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.331 -9.768 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.699 -9.076 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.955 -10.817 -1.501 1.00 0.00 H new ATOM 213 N GLN A 16 0.128 -12.612 2.680 1.00 0.00 N ATOM 214 CA GLN A 16 -0.639 -13.708 3.247 1.00 0.00 C ATOM 215 C GLN A 16 -0.291 -14.027 4.697 1.00 0.00 C ATOM 216 O GLN A 16 -0.921 -14.899 5.295 1.00 0.00 O ATOM 217 CB GLN A 16 -0.369 -14.949 2.396 1.00 0.00 C ATOM 218 CG GLN A 16 -0.581 -14.709 0.916 1.00 0.00 C ATOM 219 CD GLN A 16 -2.036 -14.788 0.518 1.00 0.00 C ATOM 220 OE1 GLN A 16 -2.734 -13.668 0.641 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -2.529 -15.841 0.116 1.00 0.00 N flip ATOM 0 H GLN A 16 0.758 -12.907 1.934 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.687 -13.408 3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.656 -15.280 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.022 -15.757 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.188 -13.727 0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.012 -15.444 0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.951 -16.678 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.516 -15.877 -0.140 1.00 0.00 H new ATOM 230 N GLU A 17 0.691 -13.350 5.281 1.00 0.00 N ATOM 231 CA GLU A 17 1.089 -13.697 6.633 1.00 0.00 C ATOM 232 C GLU A 17 -0.035 -13.468 7.632 1.00 0.00 C ATOM 233 O GLU A 17 -0.688 -14.414 8.073 1.00 0.00 O ATOM 234 CB GLU A 17 2.323 -12.866 7.027 1.00 0.00 C ATOM 235 CG GLU A 17 2.601 -12.807 8.521 1.00 0.00 C ATOM 236 CD GLU A 17 3.938 -12.169 8.842 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.966 -12.873 8.762 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.956 -10.964 9.173 1.00 0.00 O ATOM 0 H GLU A 17 1.210 -12.583 4.854 1.00 0.00 H new ATOM 0 HA GLU A 17 1.331 -14.760 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.198 -13.280 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.193 -11.850 6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.807 -12.244 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.577 -13.817 8.931 1.00 0.00 H new ATOM 245 N CYS A 18 -0.258 -12.217 7.988 1.00 0.00 N ATOM 246 CA CYS A 18 -1.299 -11.846 8.929 1.00 0.00 C ATOM 247 C CYS A 18 -2.450 -11.100 8.266 1.00 0.00 C ATOM 248 O CYS A 18 -3.401 -10.729 8.942 1.00 0.00 O ATOM 249 CB CYS A 18 -0.699 -10.988 10.033 1.00 0.00 C ATOM 250 SG CYS A 18 -0.021 -11.930 11.418 1.00 0.00 S ATOM 0 H CYS A 18 0.279 -11.427 7.632 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.710 -12.767 9.342 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.091 -10.369 9.608 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.466 -10.311 10.409 1.00 0.00 H new ATOM 0 HG CYS A 18 0.467 -11.111 12.302 1.00 0.00 H new ATOM 256 N GLN A 19 -2.388 -10.923 6.946 1.00 0.00 N ATOM 257 CA GLN A 19 -3.372 -10.094 6.246 1.00 0.00 C ATOM 258 C GLN A 19 -4.804 -10.366 6.699 1.00 0.00 C ATOM 259 O GLN A 19 -5.185 -11.495 7.002 1.00 0.00 O ATOM 260 CB GLN A 19 -3.240 -10.277 4.735 1.00 0.00 C ATOM 261 CG GLN A 19 -4.402 -9.726 3.920 1.00 0.00 C ATOM 262 CD GLN A 19 -4.289 -10.065 2.446 1.00 0.00 C ATOM 263 OE1 GLN A 19 -3.767 -11.117 2.078 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.769 -9.167 1.592 1.00 0.00 N ATOM 0 H GLN A 19 -1.676 -11.337 6.345 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.156 -9.057 6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.321 -9.793 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.136 -11.340 4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.338 -10.126 4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.444 -8.643 4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.194 -8.308 1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.713 -9.337 0.588 1.00 0.00 H new ATOM 273 N ASP A 20 -5.580 -9.278 6.719 1.00 0.00 N ATOM 274 CA ASP A 20 -6.973 -9.308 7.157 1.00 0.00 C ATOM 275 C ASP A 20 -7.483 -7.883 7.324 1.00 0.00 C ATOM 276 O ASP A 20 -6.708 -6.987 7.651 1.00 0.00 O ATOM 277 CB ASP A 20 -7.102 -10.072 8.483 1.00 0.00 C ATOM 278 CG ASP A 20 -8.488 -9.993 9.093 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.776 -8.998 9.788 1.00 0.00 O ATOM 280 OD2 ASP A 20 -9.287 -10.929 8.874 1.00 0.00 O ATOM 0 H ASP A 20 -5.258 -8.354 6.432 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.571 -9.821 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.846 -11.118 8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.377 -9.675 9.194 1.00 0.00 H new ATOM 285 N PRO A 21 -8.780 -7.647 7.077 1.00 0.00 N ATOM 286 CA PRO A 21 -9.390 -6.326 7.238 1.00 0.00 C ATOM 287 C PRO A 21 -9.271 -5.814 8.673 1.00 0.00 C ATOM 288 O PRO A 21 -10.263 -5.742 9.398 1.00 0.00 O ATOM 289 CB PRO A 21 -10.853 -6.567 6.867 1.00 0.00 C ATOM 290 CG PRO A 21 -11.053 -8.030 7.017 1.00 0.00 C ATOM 291 CD PRO A 21 -9.755 -8.634 6.601 1.00 0.00 C ATOM 0 HA PRO A 21 -8.906 -5.567 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.523 -6.008 7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.060 -6.243 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.300 -8.292 8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.873 -8.384 6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.598 -9.612 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.699 -8.772 5.521 1.00 0.00 H new ATOM 299 N ASP A 22 -8.041 -5.457 9.071 1.00 0.00 N ATOM 300 CA ASP A 22 -7.749 -4.962 10.425 1.00 0.00 C ATOM 301 C ASP A 22 -6.265 -5.128 10.794 1.00 0.00 C ATOM 302 O ASP A 22 -5.786 -4.505 11.741 1.00 0.00 O ATOM 303 CB ASP A 22 -8.605 -5.676 11.473 1.00 0.00 C ATOM 304 CG ASP A 22 -9.722 -4.800 12.005 1.00 0.00 C ATOM 305 OD1 ASP A 22 -9.429 -3.880 12.797 1.00 0.00 O ATOM 306 OD2 ASP A 22 -10.891 -5.035 11.632 1.00 0.00 O ATOM 0 H ASP A 22 -7.222 -5.503 8.465 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.990 -3.899 10.420 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.032 -6.578 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.971 -5.993 12.301 1.00 0.00 H new ATOM 311 N THR A 23 -5.540 -5.964 10.046 1.00 0.00 N ATOM 312 CA THR A 23 -4.118 -6.209 10.311 1.00 0.00 C ATOM 313 C THR A 23 -3.214 -5.467 9.323 1.00 0.00 C ATOM 314 O THR A 23 -2.041 -5.808 9.179 1.00 0.00 O ATOM 315 CB THR A 23 -3.799 -7.705 10.197 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.428 -7.943 10.537 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.069 -8.181 8.780 1.00 0.00 C ATOM 0 H THR A 23 -5.914 -6.483 9.252 1.00 0.00 H new ATOM 0 HA THR A 23 -3.926 -5.846 11.321 1.00 0.00 H new ATOM 0 HB THR A 23 -4.435 -8.257 10.889 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.849 -7.409 9.954 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.841 -9.244 8.704 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.118 -8.016 8.535 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.442 -7.625 8.084 1.00 0.00 H new ATOM 325 N PHE A 24 -3.770 -4.449 8.665 1.00 0.00 N ATOM 326 CA PHE A 24 -3.034 -3.652 7.673 1.00 0.00 C ATOM 327 C PHE A 24 -2.059 -4.530 6.874 1.00 0.00 C ATOM 328 O PHE A 24 -0.935 -4.795 7.290 1.00 0.00 O ATOM 329 CB PHE A 24 -2.302 -2.489 8.373 1.00 0.00 C ATOM 330 CG PHE A 24 -1.037 -2.865 9.089 1.00 0.00 C ATOM 331 CD1 PHE A 24 -1.071 -3.574 10.277 1.00 0.00 C ATOM 332 CD2 PHE A 24 0.193 -2.494 8.566 1.00 0.00 C ATOM 333 CE1 PHE A 24 0.098 -3.911 10.932 1.00 0.00 C ATOM 334 CE2 PHE A 24 1.366 -2.829 9.216 1.00 0.00 C ATOM 335 CZ PHE A 24 1.319 -3.539 10.401 1.00 0.00 C ATOM 0 H PHE A 24 -4.736 -4.152 8.801 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.745 -3.232 6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.066 -1.729 7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.984 -2.032 9.090 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.022 -3.867 10.697 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.235 -1.938 7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.058 -4.465 11.858 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.318 -2.536 8.798 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.234 -3.803 10.911 1.00 0.00 H new ATOM 345 N GLU A 25 -2.533 -4.975 5.714 1.00 0.00 N ATOM 346 CA GLU A 25 -1.770 -5.878 4.851 1.00 0.00 C ATOM 347 C GLU A 25 -0.795 -5.201 3.870 1.00 0.00 C ATOM 348 O GLU A 25 0.240 -5.789 3.554 1.00 0.00 O ATOM 349 CB GLU A 25 -2.694 -6.825 4.085 1.00 0.00 C ATOM 350 CG GLU A 25 -4.035 -6.236 3.770 1.00 0.00 C ATOM 351 CD GLU A 25 -5.045 -6.409 4.889 1.00 0.00 C ATOM 352 OE1 GLU A 25 -4.944 -5.682 5.900 1.00 0.00 O ATOM 353 OE2 GLU A 25 -5.939 -7.270 4.755 1.00 0.00 O ATOM 0 H GLU A 25 -3.450 -4.723 5.345 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.144 -6.434 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.208 -7.118 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.835 -7.733 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.917 -5.173 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.424 -6.700 2.864 1.00 0.00 H new ATOM 360 N PRO A 26 -1.072 -3.977 3.362 1.00 0.00 N ATOM 361 CA PRO A 26 -0.185 -3.346 2.376 1.00 0.00 C ATOM 362 C PRO A 26 1.211 -3.032 2.907 1.00 0.00 C ATOM 363 O PRO A 26 2.211 -3.426 2.319 1.00 0.00 O ATOM 364 CB PRO A 26 -0.907 -2.061 1.985 1.00 0.00 C ATOM 365 CG PRO A 26 -1.863 -1.792 3.079 1.00 0.00 C ATOM 366 CD PRO A 26 -2.217 -3.113 3.701 1.00 0.00 C ATOM 0 HA PRO A 26 -0.007 -4.023 1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.204 -1.237 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.424 -2.177 1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.421 -1.125 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.755 -1.297 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.347 -3.026 4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.150 -3.508 3.298 1.00 0.00 H new ATOM 374 N GLN A 27 1.282 -2.310 4.006 1.00 0.00 N ATOM 375 CA GLN A 27 2.573 -1.951 4.582 1.00 0.00 C ATOM 376 C GLN A 27 3.432 -3.184 4.825 1.00 0.00 C ATOM 377 O GLN A 27 4.606 -3.229 4.460 1.00 0.00 O ATOM 378 CB GLN A 27 2.370 -1.232 5.904 1.00 0.00 C ATOM 379 CG GLN A 27 1.456 -0.023 5.816 1.00 0.00 C ATOM 380 CD GLN A 27 1.325 0.704 7.139 1.00 0.00 C ATOM 381 OE1 GLN A 27 2.242 0.693 7.960 1.00 0.00 O ATOM 382 NE2 GLN A 27 0.181 1.343 7.353 1.00 0.00 N ATOM 0 H GLN A 27 0.473 -1.960 4.519 1.00 0.00 H new ATOM 0 HA GLN A 27 3.081 -1.299 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.957 -1.934 6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.340 -0.914 6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.841 0.665 5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.469 -0.342 5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.553 1.326 6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.036 1.851 8.226 1.00 0.00 H new ATOM 391 N LYS A 28 2.824 -4.179 5.449 1.00 0.00 N ATOM 392 CA LYS A 28 3.498 -5.407 5.754 1.00 0.00 C ATOM 393 C LYS A 28 3.875 -6.088 4.453 1.00 0.00 C ATOM 394 O LYS A 28 4.968 -6.636 4.308 1.00 0.00 O ATOM 395 CB LYS A 28 2.576 -6.269 6.592 1.00 0.00 C ATOM 396 CG LYS A 28 2.015 -5.532 7.793 1.00 0.00 C ATOM 397 CD LYS A 28 1.510 -6.491 8.852 1.00 0.00 C ATOM 398 CE LYS A 28 2.636 -7.355 9.389 1.00 0.00 C ATOM 399 NZ LYS A 28 2.235 -8.097 10.616 1.00 0.00 N ATOM 0 H LYS A 28 1.851 -4.148 5.753 1.00 0.00 H new ATOM 0 HA LYS A 28 4.410 -5.229 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.753 -6.623 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.120 -7.150 6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.787 -4.891 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.201 -4.881 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.057 -5.929 9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.730 -7.125 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.946 -8.064 8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.500 -6.728 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.033 -8.674 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.964 -7.420 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.427 -8.715 10.399 1.00 0.00 H new ATOM 413 N PHE A 29 2.947 -6.040 3.510 1.00 0.00 N ATOM 414 CA PHE A 29 3.170 -6.595 2.179 1.00 0.00 C ATOM 415 C PHE A 29 4.452 -6.010 1.603 1.00 0.00 C ATOM 416 O PHE A 29 5.335 -6.725 1.142 1.00 0.00 O ATOM 417 CB PHE A 29 1.968 -6.245 1.273 1.00 0.00 C ATOM 418 CG PHE A 29 2.025 -6.771 -0.144 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.099 -6.497 -0.984 1.00 0.00 C ATOM 420 CD2 PHE A 29 0.980 -7.535 -0.640 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.120 -6.979 -2.277 1.00 0.00 C ATOM 422 CE2 PHE A 29 1.004 -8.015 -1.935 1.00 0.00 C ATOM 423 CZ PHE A 29 2.073 -7.736 -2.752 1.00 0.00 C ATOM 0 H PHE A 29 2.026 -5.620 3.641 1.00 0.00 H new ATOM 0 HA PHE A 29 3.267 -7.679 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.062 -6.626 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.874 -5.160 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.924 -5.902 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.135 -7.758 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.961 -6.761 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.182 -8.610 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.092 -8.110 -3.765 1.00 0.00 H new ATOM 433 N PHE A 30 4.525 -4.688 1.654 1.00 0.00 N ATOM 434 CA PHE A 30 5.654 -3.938 1.117 1.00 0.00 C ATOM 435 C PHE A 30 6.927 -4.131 1.930 1.00 0.00 C ATOM 436 O PHE A 30 7.939 -4.592 1.418 1.00 0.00 O ATOM 437 CB PHE A 30 5.301 -2.452 1.070 1.00 0.00 C ATOM 438 CG PHE A 30 3.885 -2.185 0.656 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.209 -3.073 -0.164 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.224 -1.053 1.102 1.00 0.00 C ATOM 441 CE1 PHE A 30 1.905 -2.837 -0.526 1.00 0.00 C ATOM 442 CE2 PHE A 30 1.915 -0.809 0.736 1.00 0.00 C ATOM 443 CZ PHE A 30 1.253 -1.704 -0.080 1.00 0.00 C ATOM 0 H PHE A 30 3.801 -4.102 2.070 1.00 0.00 H new ATOM 0 HA PHE A 30 5.849 -4.319 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.472 -2.015 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.975 -1.949 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.712 -3.959 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.738 -0.353 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.388 -3.540 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.411 0.079 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.229 -1.519 -0.369 1.00 0.00 H new ATOM 453 N GLN A 31 6.841 -3.814 3.214 1.00 0.00 N ATOM 454 CA GLN A 31 7.989 -3.881 4.112 1.00 0.00 C ATOM 455 C GLN A 31 8.642 -5.248 4.136 1.00 0.00 C ATOM 456 O GLN A 31 9.779 -5.407 3.700 1.00 0.00 O ATOM 457 CB GLN A 31 7.543 -3.511 5.525 1.00 0.00 C ATOM 458 CG GLN A 31 8.686 -3.152 6.460 1.00 0.00 C ATOM 459 CD GLN A 31 9.006 -1.667 6.464 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.797 -1.000 5.333 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 9.442 -1.122 7.478 1.00 0.00 N flip ATOM 0 H GLN A 31 5.979 -3.504 3.663 1.00 0.00 H new ATOM 0 HA GLN A 31 8.732 -3.177 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.855 -2.668 5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.988 -4.347 5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.432 -3.466 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.576 -3.709 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.589 -1.668 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.656 -0.125 7.469 1.00 0.00 H new ATOM 470 N THR A 32 7.921 -6.233 4.629 1.00 0.00 N ATOM 471 CA THR A 32 8.456 -7.582 4.739 1.00 0.00 C ATOM 472 C THR A 32 9.177 -8.017 3.464 1.00 0.00 C ATOM 473 O THR A 32 10.362 -8.347 3.491 1.00 0.00 O ATOM 474 CB THR A 32 7.342 -8.593 5.068 1.00 0.00 C ATOM 475 OG1 THR A 32 6.710 -8.240 6.305 1.00 0.00 O ATOM 476 CG2 THR A 32 7.896 -10.008 5.165 1.00 0.00 C ATOM 0 H THR A 32 6.962 -6.129 4.961 1.00 0.00 H new ATOM 0 HA THR A 32 9.180 -7.565 5.553 1.00 0.00 H new ATOM 0 HB THR A 32 6.610 -8.563 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.964 -7.630 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.087 -10.700 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.350 -10.287 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.649 -10.051 5.952 1.00 0.00 H new ATOM 484 N SER A 33 8.455 -8.015 2.353 1.00 0.00 N ATOM 485 CA SER A 33 9.010 -8.441 1.076 1.00 0.00 C ATOM 486 C SER A 33 9.885 -7.395 0.392 1.00 0.00 C ATOM 487 O SER A 33 11.068 -7.630 0.148 1.00 0.00 O ATOM 488 CB SER A 33 7.881 -8.864 0.142 1.00 0.00 C ATOM 489 OG SER A 33 7.035 -7.775 -0.166 1.00 0.00 O ATOM 0 H SER A 33 7.479 -7.722 2.310 1.00 0.00 H new ATOM 0 HA SER A 33 9.667 -9.282 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.300 -9.273 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.299 -9.659 0.608 1.00 0.00 H new ATOM 0 HG SER A 33 6.596 -7.460 0.652 1.00 0.00 H new ATOM 495 N GLY A 34 9.302 -6.243 0.087 1.00 0.00 N ATOM 496 CA GLY A 34 10.046 -5.249 -0.660 1.00 0.00 C ATOM 497 C GLY A 34 10.703 -4.126 0.130 1.00 0.00 C ATOM 498 O GLY A 34 11.919 -4.087 0.251 1.00 0.00 O ATOM 0 H GLY A 34 8.348 -5.983 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.824 -5.764 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.370 -4.799 -1.387 1.00 0.00 H new ATOM 502 N LEU A 35 9.900 -3.256 0.714 1.00 0.00 N ATOM 503 CA LEU A 35 10.407 -2.079 1.417 1.00 0.00 C ATOM 504 C LEU A 35 11.488 -2.405 2.450 1.00 0.00 C ATOM 505 O LEU A 35 12.356 -1.576 2.718 1.00 0.00 O ATOM 506 CB LEU A 35 9.240 -1.355 2.077 1.00 0.00 C ATOM 507 CG LEU A 35 8.663 -0.201 1.266 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.155 -0.695 -0.080 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.552 0.489 2.042 1.00 0.00 C ATOM 0 H LEU A 35 8.883 -3.339 0.718 1.00 0.00 H new ATOM 0 HA LEU A 35 10.886 -1.438 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.446 -2.076 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.568 -0.973 3.044 1.00 0.00 H new ATOM 0 HG LEU A 35 9.455 0.525 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.747 0.143 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.978 -1.142 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.376 -1.441 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.150 1.311 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.758 -0.227 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.950 0.878 2.979 1.00 0.00 H new ATOM 521 N SER A 36 11.418 -3.599 3.033 1.00 0.00 N ATOM 522 CA SER A 36 12.389 -4.039 4.048 1.00 0.00 C ATOM 523 C SER A 36 13.798 -3.455 3.868 1.00 0.00 C ATOM 524 O SER A 36 14.360 -2.915 4.822 1.00 0.00 O ATOM 525 CB SER A 36 12.477 -5.567 4.062 1.00 0.00 C ATOM 526 OG SER A 36 13.683 -6.004 4.665 1.00 0.00 O ATOM 0 H SER A 36 10.696 -4.288 2.822 1.00 0.00 H new ATOM 0 HA SER A 36 12.013 -3.659 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.626 -5.978 4.605 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.418 -5.947 3.042 1.00 0.00 H new ATOM 0 HG SER A 36 13.714 -6.984 4.663 1.00 0.00 H new ATOM 532 N LYS A 37 14.376 -3.547 2.673 1.00 0.00 N ATOM 533 CA LYS A 37 15.731 -3.019 2.468 1.00 0.00 C ATOM 534 C LYS A 37 15.973 -2.532 1.039 1.00 0.00 C ATOM 535 O LYS A 37 17.015 -2.826 0.453 1.00 0.00 O ATOM 536 CB LYS A 37 16.773 -4.088 2.807 1.00 0.00 C ATOM 537 CG LYS A 37 16.686 -4.608 4.228 1.00 0.00 C ATOM 538 CD LYS A 37 17.149 -3.560 5.222 1.00 0.00 C ATOM 539 CE LYS A 37 16.546 -3.791 6.597 1.00 0.00 C ATOM 540 NZ LYS A 37 16.979 -2.754 7.575 1.00 0.00 N ATOM 0 H LYS A 37 13.946 -3.969 1.850 1.00 0.00 H new ATOM 0 HA LYS A 37 15.828 -2.161 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.657 -4.924 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.768 -3.675 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.659 -4.896 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.298 -5.505 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.237 -3.580 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.871 -2.569 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.459 -3.787 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.837 -4.777 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.546 -2.947 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.015 -2.774 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.679 -1.816 7.242 1.00 0.00 H new ATOM 554 N MET A 38 15.025 -1.792 0.474 1.00 0.00 N ATOM 555 CA MET A 38 15.181 -1.285 -0.877 1.00 0.00 C ATOM 556 C MET A 38 15.339 0.227 -0.929 1.00 0.00 C ATOM 557 O MET A 38 15.086 0.929 0.051 1.00 0.00 O ATOM 558 CB MET A 38 13.977 -1.675 -1.693 1.00 0.00 C ATOM 559 CG MET A 38 13.620 -3.129 -1.535 1.00 0.00 C ATOM 560 SD MET A 38 14.637 -4.212 -2.556 1.00 0.00 S ATOM 561 CE MET A 38 14.190 -5.811 -1.891 1.00 0.00 C ATOM 0 H MET A 38 14.149 -1.534 0.929 1.00 0.00 H new ATOM 0 HA MET A 38 16.094 -1.723 -1.280 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.127 -1.061 -1.396 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.171 -1.464 -2.745 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.731 -3.414 -0.489 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.571 -3.271 -1.795 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.737 -6.591 -2.420 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.441 -5.847 -0.831 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.119 -5.971 -2.016 1.00 0.00 H new ATOM 571 N SER A 39 15.765 0.716 -2.092 1.00 0.00 N ATOM 572 CA SER A 39 15.949 2.140 -2.313 1.00 0.00 C ATOM 573 C SER A 39 14.609 2.840 -2.511 1.00 0.00 C ATOM 574 O SER A 39 13.580 2.192 -2.692 1.00 0.00 O ATOM 575 CB SER A 39 16.838 2.369 -3.534 1.00 0.00 C ATOM 576 OG SER A 39 18.115 1.781 -3.356 1.00 0.00 O ATOM 0 H SER A 39 15.990 0.136 -2.900 1.00 0.00 H new ATOM 0 HA SER A 39 16.430 2.562 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.361 1.947 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.949 3.439 -3.711 1.00 0.00 H new ATOM 0 HG SER A 39 18.663 1.941 -4.153 1.00 0.00 H new ATOM 582 N ALA A 40 14.636 4.163 -2.478 1.00 0.00 N ATOM 583 CA ALA A 40 13.430 4.964 -2.657 1.00 0.00 C ATOM 584 C ALA A 40 12.806 4.752 -4.041 1.00 0.00 C ATOM 585 O ALA A 40 11.587 4.653 -4.175 1.00 0.00 O ATOM 586 CB ALA A 40 13.750 6.437 -2.443 1.00 0.00 C ATOM 0 H ALA A 40 15.484 4.710 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 40 12.700 4.639 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.845 7.029 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.132 6.583 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.503 6.754 -3.165 1.00 0.00 H new ATOM 592 N SER A 41 13.659 4.680 -5.063 1.00 0.00 N ATOM 593 CA SER A 41 13.220 4.539 -6.449 1.00 0.00 C ATOM 594 C SER A 41 12.190 3.439 -6.657 1.00 0.00 C ATOM 595 O SER A 41 11.078 3.707 -7.110 1.00 0.00 O ATOM 596 CB SER A 41 14.428 4.274 -7.347 1.00 0.00 C ATOM 597 OG SER A 41 15.295 5.394 -7.384 1.00 0.00 O ATOM 0 H SER A 41 14.672 4.718 -4.952 1.00 0.00 H new ATOM 0 HA SER A 41 12.734 5.478 -6.713 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.971 3.402 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.090 4.039 -8.356 1.00 0.00 H new ATOM 0 HG SER A 41 16.060 5.197 -7.964 1.00 0.00 H new ATOM 603 N GLN A 42 12.543 2.205 -6.332 1.00 0.00 N ATOM 604 CA GLN A 42 11.613 1.099 -6.544 1.00 0.00 C ATOM 605 C GLN A 42 10.357 1.268 -5.711 1.00 0.00 C ATOM 606 O GLN A 42 9.286 0.786 -6.078 1.00 0.00 O ATOM 607 CB GLN A 42 12.251 -0.250 -6.269 1.00 0.00 C ATOM 608 CG GLN A 42 12.484 -0.525 -4.816 1.00 0.00 C ATOM 609 CD GLN A 42 12.842 -1.978 -4.572 1.00 0.00 C ATOM 610 OE1 GLN A 42 11.848 -2.782 -4.216 1.00 0.00 O flip ATOM 611 NE2 GLN A 42 14.003 -2.372 -4.694 1.00 0.00 N flip ATOM 0 H GLN A 42 13.443 1.944 -5.930 1.00 0.00 H new ATOM 0 HA GLN A 42 11.337 1.123 -7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.613 -1.033 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.203 -0.305 -6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.287 0.114 -4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.589 -0.270 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.737 -1.719 -4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.230 -3.351 -4.519 1.00 0.00 H new ATOM 620 N VAL A 43 10.486 1.975 -4.601 1.00 0.00 N ATOM 621 CA VAL A 43 9.339 2.210 -3.742 1.00 0.00 C ATOM 622 C VAL A 43 8.259 2.928 -4.542 1.00 0.00 C ATOM 623 O VAL A 43 7.066 2.785 -4.275 1.00 0.00 O ATOM 624 CB VAL A 43 9.706 3.029 -2.497 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.505 3.167 -1.581 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.865 2.367 -1.768 1.00 0.00 C ATOM 0 H VAL A 43 11.359 2.390 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 43 8.972 1.245 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 43 10.012 4.028 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.782 3.750 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.698 3.672 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.170 2.178 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.121 2.952 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.577 1.360 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.729 2.313 -2.431 1.00 0.00 H new ATOM 636 N LYS A 44 8.700 3.703 -5.531 1.00 0.00 N ATOM 637 CA LYS A 44 7.785 4.406 -6.419 1.00 0.00 C ATOM 638 C LYS A 44 6.876 3.396 -7.093 1.00 0.00 C ATOM 639 O LYS A 44 5.656 3.550 -7.123 1.00 0.00 O ATOM 640 CB LYS A 44 8.554 5.182 -7.487 1.00 0.00 C ATOM 641 CG LYS A 44 9.341 6.361 -6.944 1.00 0.00 C ATOM 642 CD LYS A 44 10.472 6.765 -7.880 1.00 0.00 C ATOM 643 CE LYS A 44 9.998 6.903 -9.319 1.00 0.00 C ATOM 644 NZ LYS A 44 11.094 7.344 -10.224 1.00 0.00 N ATOM 0 H LYS A 44 9.687 3.858 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 44 7.198 5.112 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.240 4.502 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.850 5.542 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.671 7.208 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.751 6.105 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.898 7.711 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.267 6.021 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.604 5.947 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.179 7.621 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.731 7.426 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.453 8.268 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.865 6.647 -10.201 1.00 0.00 H new ATOM 658 N ASP A 45 7.496 2.354 -7.639 1.00 0.00 N ATOM 659 CA ASP A 45 6.769 1.298 -8.304 1.00 0.00 C ATOM 660 C ASP A 45 5.897 0.573 -7.295 1.00 0.00 C ATOM 661 O ASP A 45 4.739 0.265 -7.565 1.00 0.00 O ATOM 662 CB ASP A 45 7.745 0.331 -8.964 1.00 0.00 C ATOM 663 CG ASP A 45 7.838 0.528 -10.463 1.00 0.00 C ATOM 664 OD1 ASP A 45 6.935 0.048 -11.182 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.811 1.163 -10.919 1.00 0.00 O ATOM 0 H ASP A 45 8.508 2.226 -7.629 1.00 0.00 H new ATOM 0 HA ASP A 45 6.132 1.724 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.733 0.460 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.434 -0.692 -8.755 1.00 0.00 H new ATOM 670 N ILE A 46 6.468 0.298 -6.125 1.00 0.00 N ATOM 671 CA ILE A 46 5.736 -0.354 -5.060 1.00 0.00 C ATOM 672 C ILE A 46 4.469 0.456 -4.757 1.00 0.00 C ATOM 673 O ILE A 46 3.361 -0.077 -4.769 1.00 0.00 O ATOM 674 CB ILE A 46 6.645 -0.515 -3.815 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.499 -1.778 -3.951 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.850 -0.555 -2.521 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.164 -1.940 -5.301 1.00 0.00 C ATOM 0 H ILE A 46 7.437 0.520 -5.897 1.00 0.00 H new ATOM 0 HA ILE A 46 5.431 -1.356 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 46 7.292 0.361 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.269 -1.766 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.871 -2.649 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.532 -0.669 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.288 0.372 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.159 -1.397 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.749 -2.860 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.402 -1.986 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.821 -1.090 -5.487 1.00 0.00 H new ATOM 689 N PHE A 47 4.656 1.747 -4.474 1.00 0.00 N ATOM 690 CA PHE A 47 3.547 2.674 -4.211 1.00 0.00 C ATOM 691 C PHE A 47 2.350 2.391 -5.118 1.00 0.00 C ATOM 692 O PHE A 47 1.198 2.431 -4.688 1.00 0.00 O ATOM 693 CB PHE A 47 4.050 4.113 -4.431 1.00 0.00 C ATOM 694 CG PHE A 47 3.004 5.119 -4.855 1.00 0.00 C ATOM 695 CD1 PHE A 47 1.904 5.394 -4.055 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.128 5.782 -6.065 1.00 0.00 C ATOM 697 CE1 PHE A 47 0.950 6.313 -4.461 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.180 6.700 -6.472 1.00 0.00 C ATOM 699 CZ PHE A 47 1.089 6.965 -5.670 1.00 0.00 C ATOM 0 H PHE A 47 5.577 2.181 -4.420 1.00 0.00 H new ATOM 0 HA PHE A 47 3.212 2.541 -3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.509 4.463 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.834 4.092 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.791 4.887 -3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.978 5.578 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.097 6.519 -3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.292 7.210 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.345 7.681 -5.987 1.00 0.00 H new ATOM 709 N ARG A 48 2.650 2.105 -6.369 1.00 0.00 N ATOM 710 CA ARG A 48 1.614 1.839 -7.362 1.00 0.00 C ATOM 711 C ARG A 48 0.656 0.750 -6.890 1.00 0.00 C ATOM 712 O ARG A 48 -0.469 0.653 -7.379 1.00 0.00 O ATOM 713 CB ARG A 48 2.235 1.453 -8.703 1.00 0.00 C ATOM 714 CG ARG A 48 3.104 2.549 -9.299 1.00 0.00 C ATOM 715 CD ARG A 48 2.390 3.893 -9.288 1.00 0.00 C ATOM 716 NE ARG A 48 3.002 4.849 -10.208 1.00 0.00 N ATOM 717 CZ ARG A 48 4.173 5.438 -9.993 1.00 0.00 C ATOM 718 NH1 ARG A 48 4.869 5.159 -8.899 1.00 0.00 N ATOM 719 NH2 ARG A 48 4.653 6.305 -10.875 1.00 0.00 N ATOM 0 H ARG A 48 3.603 2.049 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 48 1.042 2.758 -7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.836 0.553 -8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.440 1.206 -9.406 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.034 2.625 -8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.372 2.286 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.344 3.749 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.405 4.302 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 48 2.500 5.078 -11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.505 4.490 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.768 5.613 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.123 6.520 -11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.552 6.757 -10.709 1.00 0.00 H new ATOM 733 N PHE A 49 1.100 -0.073 -5.941 1.00 0.00 N ATOM 734 CA PHE A 49 0.261 -1.141 -5.411 1.00 0.00 C ATOM 735 C PHE A 49 -1.081 -0.578 -4.962 1.00 0.00 C ATOM 736 O PHE A 49 -2.128 -0.963 -5.482 1.00 0.00 O ATOM 737 CB PHE A 49 0.951 -1.844 -4.245 1.00 0.00 C ATOM 738 CG PHE A 49 0.262 -3.111 -3.822 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.334 -4.249 -4.610 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.452 -3.164 -2.636 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.297 -5.417 -4.223 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.082 -4.330 -2.244 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.004 -5.458 -3.038 1.00 0.00 C ATOM 0 H PHE A 49 2.031 -0.020 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 49 0.094 -1.872 -6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.979 -2.074 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.997 -1.163 -3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.889 -4.223 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.517 -2.285 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.237 -6.296 -4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.635 -4.359 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.495 -6.370 -2.732 1.00 0.00 H new ATOM 753 N ILE A 50 -1.047 0.323 -3.980 1.00 0.00 N ATOM 754 CA ILE A 50 -2.266 0.952 -3.495 1.00 0.00 C ATOM 755 C ILE A 50 -2.942 1.708 -4.642 1.00 0.00 C ATOM 756 O ILE A 50 -2.766 1.340 -5.803 1.00 0.00 O ATOM 757 CB ILE A 50 -1.990 1.875 -2.281 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.870 2.879 -2.570 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.641 1.034 -1.066 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.554 3.768 -1.380 1.00 0.00 C ATOM 0 H ILE A 50 -0.194 0.629 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.945 0.176 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.896 2.447 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.030 2.338 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.157 3.502 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.448 1.687 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.473 0.370 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.751 0.441 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.247 4.459 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.443 4.333 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.238 3.151 -0.539 1.00 0.00 H new ATOM 772 N ASP A 51 -3.706 2.757 -4.352 1.00 0.00 N ATOM 773 CA ASP A 51 -4.387 3.479 -5.413 1.00 0.00 C ATOM 774 C ASP A 51 -3.390 4.060 -6.410 1.00 0.00 C ATOM 775 O ASP A 51 -2.301 4.502 -6.045 1.00 0.00 O ATOM 776 CB ASP A 51 -5.272 4.582 -4.829 1.00 0.00 C ATOM 777 CG ASP A 51 -6.550 4.037 -4.226 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.497 3.518 -3.090 1.00 0.00 O ATOM 779 OD2 ASP A 51 -7.606 4.128 -4.888 1.00 0.00 O ATOM 0 H ASP A 51 -3.865 3.118 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.022 2.773 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.715 5.125 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.520 5.299 -5.612 1.00 0.00 H new ATOM 784 N ASN A 52 -3.774 4.029 -7.675 1.00 0.00 N ATOM 785 CA ASN A 52 -2.945 4.550 -8.754 1.00 0.00 C ATOM 786 C ASN A 52 -3.678 5.629 -9.555 1.00 0.00 C ATOM 787 O ASN A 52 -3.052 6.419 -10.262 1.00 0.00 O ATOM 788 CB ASN A 52 -2.525 3.413 -9.684 1.00 0.00 C ATOM 789 CG ASN A 52 -1.581 3.874 -10.776 1.00 0.00 C ATOM 790 OD1 ASN A 52 -0.802 4.809 -10.586 1.00 0.00 O ATOM 791 ND2 ASN A 52 -1.646 3.219 -11.930 1.00 0.00 N ATOM 0 H ASN A 52 -4.666 3.644 -7.985 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.061 5.004 -8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.044 2.629 -9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.413 2.973 -10.138 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.035 3.485 -12.702 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.307 2.450 -12.044 1.00 0.00 H new ATOM 798 N ASP A 53 -5.006 5.661 -9.440 1.00 0.00 N ATOM 799 CA ASP A 53 -5.814 6.632 -10.166 1.00 0.00 C ATOM 800 C ASP A 53 -5.836 7.984 -9.461 1.00 0.00 C ATOM 801 O ASP A 53 -6.892 8.464 -9.056 1.00 0.00 O ATOM 802 CB ASP A 53 -7.242 6.109 -10.328 1.00 0.00 C ATOM 803 CG ASP A 53 -8.095 7.013 -11.197 1.00 0.00 C ATOM 804 OD1 ASP A 53 -8.112 6.810 -12.429 1.00 0.00 O ATOM 805 OD2 ASP A 53 -8.748 7.923 -10.643 1.00 0.00 O ATOM 0 H ASP A 53 -5.542 5.024 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.362 6.772 -11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.213 5.111 -10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.704 6.013 -9.346 1.00 0.00 H new ATOM 810 N GLN A 54 -4.664 8.594 -9.329 1.00 0.00 N ATOM 811 CA GLN A 54 -4.531 9.880 -8.702 1.00 0.00 C ATOM 812 C GLN A 54 -3.227 10.518 -9.157 1.00 0.00 C ATOM 813 O GLN A 54 -2.371 9.853 -9.740 1.00 0.00 O ATOM 814 CB GLN A 54 -4.567 9.731 -7.187 1.00 0.00 C ATOM 815 CG GLN A 54 -5.855 9.111 -6.656 1.00 0.00 C ATOM 816 CD GLN A 54 -6.050 9.359 -5.171 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.559 8.355 -4.452 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -5.726 10.433 -4.666 1.00 0.00 N flip ATOM 0 H GLN A 54 -3.783 8.200 -9.659 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.362 10.523 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.723 9.117 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.434 10.713 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.704 9.520 -7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.842 8.037 -6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.341 11.175 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.843 10.581 -3.664 1.00 0.00 H new ATOM 827 N SER A 55 -3.078 11.801 -8.894 1.00 0.00 N ATOM 828 CA SER A 55 -1.896 12.540 -9.329 1.00 0.00 C ATOM 829 C SER A 55 -0.800 12.568 -8.274 1.00 0.00 C ATOM 830 O SER A 55 -0.503 13.619 -7.708 1.00 0.00 O ATOM 831 CB SER A 55 -2.278 13.970 -9.716 1.00 0.00 C ATOM 832 OG SER A 55 -3.225 13.977 -10.770 1.00 0.00 O ATOM 0 H SER A 55 -3.759 12.360 -8.380 1.00 0.00 H new ATOM 0 HA SER A 55 -1.498 12.014 -10.197 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.690 14.487 -8.849 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.386 14.518 -10.020 1.00 0.00 H new ATOM 0 HG SER A 55 -3.454 14.902 -10.998 1.00 0.00 H new ATOM 838 N GLY A 56 -0.200 11.417 -8.015 1.00 0.00 N ATOM 839 CA GLY A 56 0.878 11.358 -7.047 1.00 0.00 C ATOM 840 C GLY A 56 0.402 11.413 -5.613 1.00 0.00 C ATOM 841 O GLY A 56 1.170 11.761 -4.716 1.00 0.00 O ATOM 0 H GLY A 56 -0.437 10.527 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.443 10.438 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.563 12.187 -7.227 1.00 0.00 H new ATOM 845 N TYR A 57 -0.859 11.076 -5.383 1.00 0.00 N ATOM 846 CA TYR A 57 -1.399 11.084 -4.031 1.00 0.00 C ATOM 847 C TYR A 57 -2.627 10.211 -3.909 1.00 0.00 C ATOM 848 O TYR A 57 -3.269 9.872 -4.895 1.00 0.00 O ATOM 849 CB TYR A 57 -1.730 12.499 -3.549 1.00 0.00 C ATOM 850 CG TYR A 57 -1.916 13.510 -4.649 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.029 13.484 -5.479 1.00 0.00 C ATOM 852 CD2 TYR A 57 -0.969 14.494 -4.848 1.00 0.00 C ATOM 853 CE1 TYR A 57 -3.187 14.421 -6.482 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.117 15.437 -5.846 1.00 0.00 C ATOM 855 CZ TYR A 57 -2.227 15.396 -6.661 1.00 0.00 C ATOM 856 OH TYR A 57 -2.380 16.331 -7.658 1.00 0.00 O ATOM 0 H TYR A 57 -1.521 10.796 -6.107 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.614 10.677 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.641 12.461 -2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.931 12.841 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.781 12.721 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.097 14.527 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.056 14.391 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.367 16.202 -5.987 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.617 16.946 -7.649 1.00 0.00 H new ATOM 866 N LEU A 58 -2.946 9.861 -2.677 1.00 0.00 N ATOM 867 CA LEU A 58 -4.091 9.026 -2.391 1.00 0.00 C ATOM 868 C LEU A 58 -4.762 9.516 -1.124 1.00 0.00 C ATOM 869 O LEU A 58 -4.153 10.251 -0.359 1.00 0.00 O ATOM 870 CB LEU A 58 -3.635 7.575 -2.264 1.00 0.00 C ATOM 871 CG LEU A 58 -2.718 7.114 -3.400 1.00 0.00 C ATOM 872 CD1 LEU A 58 -2.109 5.753 -3.094 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.477 7.085 -4.715 1.00 0.00 C ATOM 0 H LEU A 58 -2.420 10.147 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.818 9.082 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.114 7.449 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.513 6.929 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.901 7.830 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.462 5.450 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.524 5.814 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.904 5.018 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.811 6.755 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.317 6.395 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.849 8.084 -4.943 1.00 0.00 H new ATOM 885 N ASP A 59 -6.014 9.136 -0.904 1.00 0.00 N ATOM 886 CA ASP A 59 -6.720 9.587 0.285 1.00 0.00 C ATOM 887 C ASP A 59 -7.659 8.523 0.808 1.00 0.00 C ATOM 888 O ASP A 59 -8.183 7.695 0.063 1.00 0.00 O ATOM 889 CB ASP A 59 -7.492 10.859 -0.024 1.00 0.00 C ATOM 890 CG ASP A 59 -7.985 11.559 1.227 1.00 0.00 C ATOM 891 OD1 ASP A 59 -9.109 11.250 1.677 1.00 0.00 O ATOM 892 OD2 ASP A 59 -7.248 12.416 1.757 1.00 0.00 O ATOM 0 H ASP A 59 -6.552 8.528 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.981 9.790 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.854 11.539 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.343 10.618 -0.660 1.00 0.00 H new ATOM 897 N GLY A 60 -7.854 8.574 2.119 1.00 0.00 N ATOM 898 CA GLY A 60 -8.664 7.591 2.827 1.00 0.00 C ATOM 899 C GLY A 60 -9.905 7.162 2.074 1.00 0.00 C ATOM 900 O GLY A 60 -10.356 6.026 2.213 1.00 0.00 O ATOM 0 H GLY A 60 -7.457 9.296 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.053 6.712 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.961 8.005 3.791 1.00 0.00 H new ATOM 904 N ASP A 61 -10.459 8.070 1.287 1.00 0.00 N ATOM 905 CA ASP A 61 -11.653 7.776 0.510 1.00 0.00 C ATOM 906 C ASP A 61 -11.310 6.829 -0.630 1.00 0.00 C ATOM 907 O ASP A 61 -11.968 5.812 -0.850 1.00 0.00 O ATOM 908 CB ASP A 61 -12.234 9.067 -0.066 1.00 0.00 C ATOM 909 CG ASP A 61 -12.477 10.118 0.999 1.00 0.00 C ATOM 910 OD1 ASP A 61 -13.470 9.990 1.744 1.00 0.00 O ATOM 911 OD2 ASP A 61 -11.674 11.071 1.086 1.00 0.00 O ATOM 0 H ASP A 61 -10.101 9.018 1.169 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.389 7.308 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.552 9.466 -0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.172 8.845 -0.574 1.00 0.00 H new ATOM 916 N GLU A 62 -10.260 7.200 -1.340 1.00 0.00 N ATOM 917 CA GLU A 62 -9.768 6.464 -2.491 1.00 0.00 C ATOM 918 C GLU A 62 -8.961 5.236 -2.098 1.00 0.00 C ATOM 919 O GLU A 62 -8.905 4.256 -2.842 1.00 0.00 O ATOM 920 CB GLU A 62 -8.895 7.382 -3.320 1.00 0.00 C ATOM 921 CG GLU A 62 -9.649 8.549 -3.933 1.00 0.00 C ATOM 922 CD GLU A 62 -10.712 8.106 -4.919 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.346 7.652 -6.023 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.910 8.214 -4.586 1.00 0.00 O ATOM 0 H GLU A 62 -9.715 8.036 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.633 6.120 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.091 7.769 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.428 6.803 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.116 9.132 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.942 9.208 -4.438 1.00 0.00 H new ATOM 931 N LEU A 63 -8.339 5.289 -0.928 1.00 0.00 N ATOM 932 CA LEU A 63 -7.476 4.209 -0.471 1.00 0.00 C ATOM 933 C LEU A 63 -8.103 2.837 -0.676 1.00 0.00 C ATOM 934 O LEU A 63 -7.469 1.930 -1.203 1.00 0.00 O ATOM 935 CB LEU A 63 -7.151 4.391 1.015 1.00 0.00 C ATOM 936 CG LEU A 63 -6.329 5.632 1.364 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.680 5.494 2.733 1.00 0.00 C ATOM 938 CD2 LEU A 63 -5.287 5.934 0.287 1.00 0.00 C ATOM 0 H LEU A 63 -8.416 6.070 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.566 4.256 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.088 4.429 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.610 3.510 1.361 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.014 6.479 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.102 6.391 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.453 5.364 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.019 4.627 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.721 6.822 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.608 5.087 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.788 6.109 -0.665 1.00 0.00 H new ATOM 950 N LYS A 64 -9.349 2.691 -0.257 1.00 0.00 N ATOM 951 CA LYS A 64 -10.044 1.408 -0.362 1.00 0.00 C ATOM 952 C LYS A 64 -10.178 0.862 -1.782 1.00 0.00 C ATOM 953 O LYS A 64 -10.365 -0.342 -1.955 1.00 0.00 O ATOM 954 CB LYS A 64 -11.447 1.526 0.258 1.00 0.00 C ATOM 955 CG LYS A 64 -12.044 2.930 0.226 1.00 0.00 C ATOM 956 CD LYS A 64 -13.542 2.917 0.471 1.00 0.00 C ATOM 957 CE LYS A 64 -14.308 3.117 -0.820 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.770 3.259 -0.588 1.00 0.00 N ATOM 0 H LYS A 64 -9.903 3.440 0.159 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.419 0.698 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.120 0.848 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.401 1.189 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.558 3.548 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.839 3.389 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.831 1.969 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.805 3.703 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.934 4.006 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.127 2.271 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.167 3.932 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.231 2.334 -0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.936 3.610 0.377 1.00 0.00 H new ATOM 972 N TYR A 65 -10.091 1.701 -2.793 1.00 0.00 N ATOM 973 CA TYR A 65 -10.206 1.203 -4.159 1.00 0.00 C ATOM 974 C TYR A 65 -8.924 0.506 -4.616 1.00 0.00 C ATOM 975 O TYR A 65 -8.928 -0.184 -5.629 1.00 0.00 O ATOM 976 CB TYR A 65 -10.568 2.327 -5.125 1.00 0.00 C ATOM 977 CG TYR A 65 -11.773 3.109 -4.675 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.871 2.454 -4.145 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.805 4.495 -4.758 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.976 3.157 -3.708 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.908 5.206 -4.327 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.991 4.532 -3.802 1.00 0.00 C ATOM 983 OH TYR A 65 -15.089 5.237 -3.368 1.00 0.00 O ATOM 0 H TYR A 65 -9.945 2.707 -2.706 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.010 0.467 -4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.718 3.002 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.760 1.906 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.863 1.376 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.956 5.024 -5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.824 2.632 -3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.922 6.283 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.937 6.196 -3.504 1.00 0.00 H new ATOM 993 N PHE A 66 -7.838 0.664 -3.856 1.00 0.00 N ATOM 994 CA PHE A 66 -6.549 0.071 -4.222 1.00 0.00 C ATOM 995 C PHE A 66 -6.706 -1.384 -4.666 1.00 0.00 C ATOM 996 O PHE A 66 -6.276 -1.754 -5.760 1.00 0.00 O ATOM 997 CB PHE A 66 -5.557 0.186 -3.034 1.00 0.00 C ATOM 998 CG PHE A 66 -4.970 -1.119 -2.535 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.173 -1.906 -3.354 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.241 -1.558 -1.254 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.658 -3.105 -2.898 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.733 -2.755 -0.792 1.00 0.00 C ATOM 1003 CZ PHE A 66 -3.940 -3.531 -1.615 1.00 0.00 C ATOM 0 H PHE A 66 -7.825 1.196 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.147 0.624 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.738 0.841 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.069 0.673 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.953 -1.578 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.859 -0.956 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.036 -3.707 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.955 -3.085 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.542 -4.468 -1.256 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.321 -2.203 -3.822 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.503 -3.608 -4.157 1.00 0.00 C ATOM 1015 C LEU A 67 -8.245 -3.709 -5.469 1.00 0.00 C ATOM 1016 O LEU A 67 -7.961 -4.574 -6.296 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.261 -4.346 -3.062 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.435 -4.672 -1.817 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.328 -5.222 -0.720 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.331 -5.666 -2.156 1.00 0.00 C ATOM 0 H LEU A 67 -7.696 -1.924 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.523 -4.077 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.119 -3.743 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.653 -5.276 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.972 -3.753 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.726 -5.449 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.084 -4.481 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.816 -6.131 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.753 -5.887 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.774 -6.586 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.675 -5.237 -2.914 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.202 -2.815 -5.653 1.00 0.00 N ATOM 1033 CA GLN A 68 -9.944 -2.763 -6.890 1.00 0.00 C ATOM 1034 C GLN A 68 -9.029 -2.287 -8.021 1.00 0.00 C ATOM 1035 O GLN A 68 -9.080 -2.807 -9.124 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.166 -1.862 -6.741 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.379 -2.608 -6.215 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.618 -1.742 -6.135 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.760 -0.767 -6.873 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.529 -2.108 -5.244 1.00 0.00 N ATOM 0 H GLN A 68 -9.479 -2.119 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.303 -3.762 -7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.927 -1.041 -6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.407 -1.419 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.581 -3.463 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.154 -3.003 -5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.366 -2.924 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.392 -1.573 -5.148 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.188 -1.288 -7.764 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.261 -0.824 -8.785 1.00 0.00 C ATOM 1051 C LYS A 69 -6.395 -1.971 -9.280 1.00 0.00 C ATOM 1052 O LYS A 69 -6.419 -2.330 -10.457 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.342 0.254 -8.209 1.00 0.00 C ATOM 1054 CG LYS A 69 -7.070 1.395 -7.521 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.257 1.881 -8.331 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.848 2.271 -9.743 1.00 0.00 C ATOM 1057 NZ LYS A 69 -8.992 2.825 -10.519 1.00 0.00 N ATOM 0 H LYS A 69 -8.131 -0.794 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.846 -0.420 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.661 -0.209 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.731 0.662 -9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.411 1.068 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.378 2.222 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.014 1.098 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.712 2.738 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.048 3.010 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.448 1.398 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.672 3.079 -11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.746 2.111 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.358 3.673 -10.040 1.00 0.00 H new ATOM 1071 N PHE A 70 -5.631 -2.537 -8.359 1.00 0.00 N ATOM 1072 CA PHE A 70 -4.735 -3.638 -8.666 1.00 0.00 C ATOM 1073 C PHE A 70 -5.512 -4.878 -9.128 1.00 0.00 C ATOM 1074 O PHE A 70 -5.143 -5.516 -10.114 1.00 0.00 O ATOM 1075 CB PHE A 70 -3.854 -3.915 -7.428 1.00 0.00 C ATOM 1076 CG PHE A 70 -3.661 -5.367 -7.065 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -2.873 -6.198 -7.845 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.274 -5.892 -5.939 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -2.702 -7.528 -7.508 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -4.107 -7.218 -5.596 1.00 0.00 C ATOM 1081 CZ PHE A 70 -3.320 -8.039 -6.381 1.00 0.00 C ATOM 0 H PHE A 70 -5.615 -2.247 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.087 -3.369 -9.500 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.874 -3.470 -7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.293 -3.402 -6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.387 -5.803 -8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.890 -5.255 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.087 -8.167 -8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.591 -7.614 -4.715 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.188 -9.077 -6.115 1.00 0.00 H new ATOM 1091 N GLN A 71 -6.583 -5.211 -8.417 1.00 0.00 N ATOM 1092 CA GLN A 71 -7.387 -6.376 -8.770 1.00 0.00 C ATOM 1093 C GLN A 71 -8.403 -6.040 -9.861 1.00 0.00 C ATOM 1094 O GLN A 71 -8.284 -6.512 -10.992 1.00 0.00 O ATOM 1095 CB GLN A 71 -8.110 -6.932 -7.545 1.00 0.00 C ATOM 1096 CG GLN A 71 -8.678 -8.328 -7.765 1.00 0.00 C ATOM 1097 CD GLN A 71 -9.386 -8.883 -6.543 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.089 -8.021 -5.818 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -9.320 -10.080 -6.265 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.913 -4.697 -7.600 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.706 -7.136 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.418 -6.957 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.920 -6.256 -7.272 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.377 -8.302 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.869 -9.002 -8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.769 -10.709 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.817 -10.443 -5.451 1.00 0.00 H new ATOM 1108 N SER A 72 -9.402 -5.229 -9.481 1.00 0.00 N ATOM 1109 CA SER A 72 -10.501 -4.778 -10.360 1.00 0.00 C ATOM 1110 C SER A 72 -11.801 -5.465 -9.973 1.00 0.00 C ATOM 1111 O SER A 72 -12.770 -5.459 -10.733 1.00 0.00 O ATOM 1112 CB SER A 72 -10.210 -4.995 -11.845 1.00 0.00 C ATOM 1113 OG SER A 72 -11.141 -4.302 -12.657 1.00 0.00 O ATOM 0 H SER A 72 -9.473 -4.858 -8.534 1.00 0.00 H new ATOM 0 HA SER A 72 -10.596 -3.702 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.200 -4.655 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.247 -6.060 -12.073 1.00 0.00 H new ATOM 0 HG SER A 72 -12.050 -4.477 -12.335 1.00 0.00 H new ATOM 1119 N ASP A 73 -11.818 -6.053 -8.781 1.00 0.00 N ATOM 1120 CA ASP A 73 -12.990 -6.749 -8.295 1.00 0.00 C ATOM 1121 C ASP A 73 -12.966 -6.865 -6.775 1.00 0.00 C ATOM 1122 O ASP A 73 -13.698 -7.669 -6.200 1.00 0.00 O ATOM 1123 CB ASP A 73 -13.068 -8.140 -8.918 1.00 0.00 C ATOM 1124 CG ASP A 73 -13.350 -8.095 -10.406 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -12.387 -7.958 -11.190 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -14.535 -8.196 -10.790 1.00 0.00 O ATOM 0 H ASP A 73 -11.027 -6.058 -8.137 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.870 -6.173 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.128 -8.665 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.850 -8.714 -8.421 1.00 0.00 H new ATOM 1131 N ALA A 74 -12.123 -6.065 -6.118 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.014 -6.108 -4.683 1.00 0.00 C ATOM 1133 C ALA A 74 -13.230 -5.493 -4.033 1.00 0.00 C ATOM 1134 O ALA A 74 -14.254 -5.259 -4.676 1.00 0.00 O ATOM 1135 CB ALA A 74 -10.772 -5.360 -4.252 1.00 0.00 C ATOM 0 H ALA A 74 -11.512 -5.384 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.947 -7.150 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.687 -5.391 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.893 -5.826 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.839 -4.323 -4.581 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.098 -5.237 -2.754 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.143 -4.594 -1.997 1.00 0.00 C ATOM 1143 C ARG A 75 -13.820 -3.107 -1.842 1.00 0.00 C ATOM 1144 O ARG A 75 -13.961 -2.345 -2.796 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.352 -5.296 -0.657 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.067 -5.737 0.013 1.00 0.00 C ATOM 1147 CD ARG A 75 -13.125 -5.446 1.489 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.791 -5.366 2.084 1.00 0.00 N ATOM 1149 CZ ARG A 75 -11.173 -6.381 2.691 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -11.743 -7.579 2.765 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -9.968 -6.199 3.214 1.00 0.00 N ATOM 0 H ARG A 75 -12.266 -5.468 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.088 -4.673 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.888 -4.625 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.988 -6.168 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.911 -6.804 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.219 -5.219 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.652 -4.506 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.699 -6.225 1.990 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.300 -4.474 2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.664 -7.732 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.259 -8.346 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.517 -5.286 3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.492 -6.972 3.679 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.363 -2.701 -0.666 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.039 -1.317 -0.365 1.00 0.00 C ATOM 1167 C GLU A 76 -12.269 -1.276 0.946 1.00 0.00 C ATOM 1168 O GLU A 76 -12.608 -0.529 1.866 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.304 -0.477 -0.196 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.459 -0.883 -1.083 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.724 -0.096 -0.802 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -16.642 0.927 -0.093 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.798 -0.506 -1.290 1.00 0.00 O ATOM 0 H GLU A 76 -13.205 -3.335 0.117 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.452 -0.912 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.625 -0.535 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.060 0.566 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.175 -0.745 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.660 -1.945 -0.946 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.224 -2.083 1.005 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.375 -2.213 2.202 1.00 0.00 C ATOM 1182 C LEU A 77 -11.168 -2.067 3.494 1.00 0.00 C ATOM 1183 O LEU A 77 -10.633 -1.613 4.501 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.295 -1.146 2.187 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.060 -1.470 1.365 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.159 -0.258 1.327 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.324 -2.663 1.951 1.00 0.00 C ATOM 0 H LEU A 77 -10.930 -2.674 0.227 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.941 -3.212 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.729 -0.221 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.985 -0.954 3.214 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.361 -1.729 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.270 -0.484 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.692 0.578 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.864 0.008 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.442 -2.879 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.018 -2.436 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.983 -3.531 1.954 1.00 0.00 H new ATOM 1199 N THR A 78 -12.428 -2.477 3.464 1.00 0.00 N ATOM 1200 CA THR A 78 -13.315 -2.359 4.622 1.00 0.00 C ATOM 1201 C THR A 78 -13.108 -1.035 5.356 1.00 0.00 C ATOM 1202 O THR A 78 -12.397 -0.148 4.886 1.00 0.00 O ATOM 1203 CB THR A 78 -13.096 -3.509 5.622 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.868 -3.313 6.333 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.056 -4.850 4.907 1.00 0.00 C ATOM 0 H THR A 78 -12.866 -2.898 2.645 1.00 0.00 H new ATOM 0 HA THR A 78 -14.332 -2.404 4.232 1.00 0.00 H new ATOM 0 HB THR A 78 -13.930 -3.511 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.882 -3.837 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.900 -5.646 5.635 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.000 -5.013 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.239 -4.853 4.185 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.793 -0.871 6.468 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.635 0.310 7.273 1.00 0.00 C ATOM 1215 C GLU A 79 -12.232 0.347 7.880 1.00 0.00 C ATOM 1216 O GLU A 79 -11.511 1.339 7.778 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.688 0.312 8.375 1.00 0.00 C ATOM 1218 CG GLU A 79 -14.520 1.451 9.349 1.00 0.00 C ATOM 1219 CD GLU A 79 -15.631 1.513 10.379 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -15.494 0.866 11.438 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -16.638 2.208 10.125 1.00 0.00 O ATOM 0 H GLU A 79 -14.466 -1.546 6.832 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.765 1.195 6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.678 0.371 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.640 -0.632 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.563 1.348 9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.488 2.391 8.799 1.00 0.00 H new ATOM 1228 N SER A 80 -11.872 -0.769 8.512 1.00 0.00 N ATOM 1229 CA SER A 80 -10.593 -0.923 9.204 1.00 0.00 C ATOM 1230 C SER A 80 -9.363 -0.989 8.293 1.00 0.00 C ATOM 1231 O SER A 80 -8.375 -0.301 8.548 1.00 0.00 O ATOM 1232 CB SER A 80 -10.635 -2.180 10.068 1.00 0.00 C ATOM 1233 OG SER A 80 -10.625 -3.349 9.268 1.00 0.00 O ATOM 0 H SER A 80 -12.464 -1.598 8.559 1.00 0.00 H new ATOM 0 HA SER A 80 -10.475 -0.018 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.779 -2.190 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.531 -2.168 10.689 1.00 0.00 H new ATOM 0 HG SER A 80 -10.885 -4.121 9.813 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.404 -1.804 7.239 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.231 -1.976 6.379 1.00 0.00 C ATOM 1241 C GLU A 81 -7.710 -0.665 5.794 1.00 0.00 C ATOM 1242 O GLU A 81 -6.499 -0.458 5.759 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.523 -2.977 5.260 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.448 -4.042 5.107 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.065 -3.455 4.898 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.585 -2.736 5.798 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.461 -3.723 3.839 1.00 0.00 O ATOM 0 H GLU A 81 -10.221 -2.348 6.962 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.440 -2.366 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.479 -3.462 5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.627 -2.438 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.439 -4.673 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.697 -4.684 4.262 1.00 0.00 H new ATOM 1254 N THR A 82 -8.583 0.231 5.339 1.00 0.00 N ATOM 1255 CA THR A 82 -8.101 1.491 4.798 1.00 0.00 C ATOM 1256 C THR A 82 -7.267 2.225 5.839 1.00 0.00 C ATOM 1257 O THR A 82 -6.462 3.092 5.501 1.00 0.00 O ATOM 1258 CB THR A 82 -9.237 2.406 4.328 1.00 0.00 C ATOM 1259 OG1 THR A 82 -10.217 2.561 5.362 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.884 1.854 3.072 1.00 0.00 C ATOM 0 H THR A 82 -9.596 0.112 5.334 1.00 0.00 H new ATOM 0 HA THR A 82 -7.492 1.245 3.928 1.00 0.00 H new ATOM 0 HB THR A 82 -8.814 3.384 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.935 3.149 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.688 2.518 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.139 1.783 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.291 0.864 3.277 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.460 1.871 7.113 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.688 2.476 8.183 1.00 0.00 C ATOM 1270 C LYS A 83 -5.213 2.224 7.905 1.00 0.00 C ATOM 1271 O LYS A 83 -4.353 3.052 8.198 1.00 0.00 O ATOM 1272 CB LYS A 83 -7.086 1.886 9.537 1.00 0.00 C ATOM 1273 CG LYS A 83 -6.512 2.642 10.723 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.946 2.024 12.042 1.00 0.00 C ATOM 1275 CE LYS A 83 -6.451 2.835 13.229 1.00 0.00 C ATOM 1276 NZ LYS A 83 -7.075 4.186 13.274 1.00 0.00 N ATOM 0 H LYS A 83 -8.139 1.174 7.419 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.884 3.548 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.173 1.877 9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.755 0.849 9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.424 2.644 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.836 3.682 10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.034 1.958 12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.563 1.006 12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.674 2.301 14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.367 2.937 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.904 4.616 14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.658 4.786 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.099 4.101 13.114 1.00 0.00 H new ATOM 1290 N SER A 84 -4.947 1.051 7.333 1.00 0.00 N ATOM 1291 CA SER A 84 -3.596 0.652 6.959 1.00 0.00 C ATOM 1292 C SER A 84 -2.989 1.666 6.023 1.00 0.00 C ATOM 1293 O SER A 84 -1.931 2.235 6.285 1.00 0.00 O ATOM 1294 CB SER A 84 -3.642 -0.685 6.238 1.00 0.00 C ATOM 1295 OG SER A 84 -2.382 -1.018 5.681 1.00 0.00 O ATOM 0 H SER A 84 -5.660 0.355 7.117 1.00 0.00 H new ATOM 0 HA SER A 84 -2.996 0.580 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.951 -1.465 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.392 -0.648 5.448 1.00 0.00 H new ATOM 0 HG SER A 84 -1.678 -0.512 6.139 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.690 1.882 4.925 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.266 2.825 3.925 1.00 0.00 C ATOM 1303 C LEU A 85 -3.140 4.206 4.559 1.00 0.00 C ATOM 1304 O LEU A 85 -2.208 4.950 4.283 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.277 2.792 2.780 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.275 1.490 1.970 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.994 1.674 0.643 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.858 0.986 1.741 1.00 0.00 C ATOM 0 H LEU A 85 -4.566 1.406 4.708 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.287 2.569 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.275 2.950 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.073 3.625 2.107 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.812 0.740 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.979 0.736 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.027 1.970 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.493 2.448 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.889 0.062 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.289 1.737 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.379 0.798 2.702 1.00 0.00 H new ATOM 1320 N MET A 86 -4.080 4.508 5.439 1.00 0.00 N ATOM 1321 CA MET A 86 -4.073 5.768 6.171 1.00 0.00 C ATOM 1322 C MET A 86 -2.797 5.856 7.013 1.00 0.00 C ATOM 1323 O MET A 86 -2.057 6.837 6.952 1.00 0.00 O ATOM 1324 CB MET A 86 -5.306 5.862 7.073 1.00 0.00 C ATOM 1325 CG MET A 86 -6.621 5.808 6.313 1.00 0.00 C ATOM 1326 SD MET A 86 -7.399 7.427 6.155 1.00 0.00 S ATOM 1327 CE MET A 86 -6.049 8.386 5.476 1.00 0.00 C ATOM 0 H MET A 86 -4.863 3.895 5.666 1.00 0.00 H new ATOM 0 HA MET A 86 -4.098 6.597 5.463 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.280 5.047 7.796 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.261 6.792 7.640 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.445 5.395 5.320 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.304 5.129 6.824 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.390 9.401 5.272 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.228 8.417 6.192 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.705 7.925 4.550 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.561 4.802 7.793 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.383 4.691 8.657 1.00 0.00 C ATOM 1339 C ASP A 87 -0.114 4.368 7.857 1.00 0.00 C ATOM 1340 O ASP A 87 0.984 4.315 8.412 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.618 3.600 9.693 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.670 3.991 10.713 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.856 4.088 10.335 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.306 4.205 11.889 1.00 0.00 O ATOM 0 H ASP A 87 -3.184 3.996 7.845 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.234 5.654 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.927 2.684 9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.681 3.381 10.206 1.00 0.00 H new ATOM 1349 N ALA A 88 -0.274 4.152 6.557 1.00 0.00 N ATOM 1350 CA ALA A 88 0.837 3.789 5.682 1.00 0.00 C ATOM 1351 C ALA A 88 1.805 4.941 5.402 1.00 0.00 C ATOM 1352 O ALA A 88 2.939 4.706 4.986 1.00 0.00 O ATOM 1353 CB ALA A 88 0.282 3.239 4.389 1.00 0.00 C ATOM 0 H ALA A 88 -1.173 4.223 6.080 1.00 0.00 H new ATOM 0 HA ALA A 88 1.425 3.033 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.104 2.965 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.324 2.358 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.335 3.997 3.906 1.00 0.00 H new ATOM 1359 N ALA A 89 1.371 6.177 5.622 1.00 0.00 N ATOM 1360 CA ALA A 89 2.239 7.326 5.363 1.00 0.00 C ATOM 1361 C ALA A 89 1.742 8.600 6.041 1.00 0.00 C ATOM 1362 O ALA A 89 2.127 8.901 7.170 1.00 0.00 O ATOM 1363 CB ALA A 89 2.403 7.547 3.861 1.00 0.00 C ATOM 0 H ALA A 89 0.442 6.410 5.972 1.00 0.00 H new ATOM 0 HA ALA A 89 3.211 7.093 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.052 8.406 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.847 6.660 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.427 7.733 3.412 1.00 0.00 H new ATOM 1369 N ASP A 90 0.885 9.345 5.350 1.00 0.00 N ATOM 1370 CA ASP A 90 0.359 10.588 5.892 1.00 0.00 C ATOM 1371 C ASP A 90 -0.854 10.304 6.768 1.00 0.00 C ATOM 1372 O ASP A 90 -1.997 10.508 6.363 1.00 0.00 O ATOM 1373 CB ASP A 90 0.007 11.564 4.773 1.00 0.00 C ATOM 1374 CG ASP A 90 0.437 12.979 5.099 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.029 13.518 6.123 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.243 13.548 4.333 1.00 0.00 O ATOM 0 H ASP A 90 0.543 9.109 4.418 1.00 0.00 H new ATOM 0 HA ASP A 90 1.130 11.053 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.486 11.243 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.069 11.543 4.599 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.580 9.834 7.973 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.631 9.489 8.925 1.00 0.00 C ATOM 1383 C ASN A 91 -1.755 10.556 10.006 1.00 0.00 C ATOM 1384 O ASN A 91 -2.857 10.924 10.414 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.371 8.117 9.562 1.00 0.00 C ATOM 1386 CG ASN A 91 0.080 7.680 9.460 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.417 6.990 8.375 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.889 7.960 10.344 1.00 0.00 N flip ATOM 0 H ASN A 91 0.367 9.681 8.320 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.571 9.439 8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.662 8.149 10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.004 7.373 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.588 8.492 11.161 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.860 7.660 10.260 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.609 11.044 10.463 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.552 12.056 11.503 1.00 0.00 C ATOM 1397 C ASP A 92 -0.122 13.408 10.943 1.00 0.00 C ATOM 1398 O ASP A 92 0.448 14.229 11.663 1.00 0.00 O ATOM 1399 CB ASP A 92 0.420 11.613 12.592 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.158 10.527 13.479 1.00 0.00 C ATOM 1401 OD1 ASP A 92 0.015 9.335 13.146 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -0.782 10.868 14.505 1.00 0.00 O ATOM 0 H ASP A 92 0.305 10.748 10.122 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.551 12.171 11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.338 11.250 12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.690 12.473 13.205 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.392 13.645 9.661 1.00 0.00 N ATOM 1408 CA GLY A 93 0.012 14.906 9.053 1.00 0.00 C ATOM 1409 C GLY A 93 -0.853 15.355 7.875 1.00 0.00 C ATOM 1410 O GLY A 93 -0.602 16.416 7.302 1.00 0.00 O ATOM 0 H GLY A 93 -0.876 12.998 9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.006 15.684 9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.044 14.816 8.714 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.870 14.571 7.504 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.735 14.926 6.382 1.00 0.00 C ATOM 1416 C ASP A 94 -3.824 13.876 6.179 1.00 0.00 C ATOM 1417 O ASP A 94 -5.007 14.136 6.403 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.925 15.092 5.093 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.699 15.830 4.018 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.443 15.170 3.261 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -2.561 17.069 3.931 1.00 0.00 O ATOM 0 H ASP A 94 -2.111 13.692 7.963 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.207 15.879 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.005 15.634 5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.635 14.110 4.720 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.407 12.684 5.753 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.344 11.602 5.515 1.00 0.00 C ATOM 1428 C GLY A 95 -4.241 11.033 4.107 1.00 0.00 C ATOM 1429 O GLY A 95 -5.054 10.197 3.711 1.00 0.00 O ATOM 0 H GLY A 95 -2.431 12.450 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.164 10.806 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.359 11.962 5.683 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.242 11.482 3.346 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.056 11.012 1.977 1.00 0.00 C ATOM 1435 C LYS A 96 -1.836 10.090 1.859 1.00 0.00 C ATOM 1436 O LYS A 96 -0.924 10.149 2.680 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.948 12.238 1.029 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.714 12.298 0.114 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.422 12.583 0.879 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.593 13.720 1.875 1.00 0.00 C ATOM 1441 NZ LYS A 96 -1.081 14.965 1.220 1.00 0.00 N ATOM 0 H LYS A 96 -2.553 12.168 3.655 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.919 10.415 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.839 12.262 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.964 13.142 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.615 11.351 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.863 13.072 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.106 11.683 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.370 12.834 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.296 13.419 2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.360 13.918 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.489 15.767 1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.029 14.857 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.067 15.141 1.500 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.835 9.234 0.833 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.709 8.339 0.592 1.00 0.00 C ATOM 1457 C ILE A 97 -0.199 8.478 -0.836 1.00 0.00 C ATOM 1458 O ILE A 97 -0.739 7.878 -1.756 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.087 6.866 0.794 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.742 6.646 2.150 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.146 5.987 0.651 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.878 7.057 3.323 1.00 0.00 C ATOM 0 H ILE A 97 -2.598 9.145 0.162 1.00 0.00 H new ATOM 0 HA ILE A 97 0.058 8.625 1.311 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.810 6.592 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.677 7.206 2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.998 5.591 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.132 4.943 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.570 6.114 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.885 6.273 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.414 6.870 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.046 6.479 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.643 8.119 3.247 1.00 0.00 H new ATOM 1474 N GLY A 98 0.858 9.251 -1.002 1.00 0.00 N ATOM 1475 CA GLY A 98 1.465 9.450 -2.304 1.00 0.00 C ATOM 1476 C GLY A 98 2.829 8.802 -2.399 1.00 0.00 C ATOM 1477 O GLY A 98 3.356 8.323 -1.409 1.00 0.00 O ATOM 0 H GLY A 98 1.317 9.755 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.813 9.038 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.557 10.518 -2.502 1.00 0.00 H new ATOM 1481 N ALA A 99 3.392 8.764 -3.595 1.00 0.00 N ATOM 1482 CA ALA A 99 4.703 8.152 -3.777 1.00 0.00 C ATOM 1483 C ALA A 99 5.710 8.760 -2.798 1.00 0.00 C ATOM 1484 O ALA A 99 6.429 8.041 -2.109 1.00 0.00 O ATOM 1485 CB ALA A 99 5.176 8.341 -5.208 1.00 0.00 C ATOM 0 H ALA A 99 2.972 9.142 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 99 4.623 7.084 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.156 7.880 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.466 7.873 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.246 9.406 -5.431 1.00 0.00 H new ATOM 1491 N ASP A 100 5.734 10.088 -2.732 1.00 0.00 N ATOM 1492 CA ASP A 100 6.634 10.799 -1.825 1.00 0.00 C ATOM 1493 C ASP A 100 6.337 10.433 -0.374 1.00 0.00 C ATOM 1494 O ASP A 100 7.233 10.047 0.376 1.00 0.00 O ATOM 1495 CB ASP A 100 6.501 12.310 -2.023 1.00 0.00 C ATOM 1496 CG ASP A 100 6.941 12.751 -3.406 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.150 13.001 -3.591 1.00 0.00 O ATOM 1498 OD2 ASP A 100 6.077 12.848 -4.301 1.00 0.00 O ATOM 0 H ASP A 100 5.140 10.696 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 100 7.657 10.501 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.464 12.605 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.099 12.826 -1.272 1.00 0.00 H new ATOM 1503 N GLU A 101 5.070 10.552 0.006 1.00 0.00 N ATOM 1504 CA GLU A 101 4.624 10.226 1.356 1.00 0.00 C ATOM 1505 C GLU A 101 4.939 8.766 1.651 1.00 0.00 C ATOM 1506 O GLU A 101 5.565 8.437 2.656 1.00 0.00 O ATOM 1507 CB GLU A 101 3.111 10.474 1.453 1.00 0.00 C ATOM 1508 CG GLU A 101 2.677 11.750 2.179 1.00 0.00 C ATOM 1509 CD GLU A 101 3.771 12.799 2.312 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.060 13.484 1.309 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.335 12.931 3.418 1.00 0.00 O ATOM 0 H GLU A 101 4.325 10.876 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 101 5.139 10.852 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.703 10.500 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.656 9.622 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.833 12.188 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.322 11.484 3.175 1.00 0.00 H new ATOM 1518 N PHE A 102 4.489 7.898 0.757 1.00 0.00 N ATOM 1519 CA PHE A 102 4.738 6.472 0.871 1.00 0.00 C ATOM 1520 C PHE A 102 6.234 6.223 1.046 1.00 0.00 C ATOM 1521 O PHE A 102 6.647 5.414 1.876 1.00 0.00 O ATOM 1522 CB PHE A 102 4.202 5.748 -0.374 1.00 0.00 C ATOM 1523 CG PHE A 102 4.355 4.256 -0.303 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.611 3.676 -0.268 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.240 3.435 -0.247 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.753 2.311 -0.182 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.377 2.063 -0.164 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.637 1.500 -0.132 1.00 0.00 C ATOM 0 H PHE A 102 3.944 8.162 -0.063 1.00 0.00 H new ATOM 0 HA PHE A 102 4.219 6.079 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.148 5.993 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.725 6.119 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.490 4.303 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.253 3.873 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.740 1.873 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.501 1.433 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.749 0.428 -0.068 1.00 0.00 H new ATOM 1538 N GLN A 103 7.042 6.926 0.253 1.00 0.00 N ATOM 1539 CA GLN A 103 8.496 6.799 0.329 1.00 0.00 C ATOM 1540 C GLN A 103 9.003 7.140 1.727 1.00 0.00 C ATOM 1541 O GLN A 103 10.035 6.634 2.165 1.00 0.00 O ATOM 1542 CB GLN A 103 9.162 7.713 -0.696 1.00 0.00 C ATOM 1543 CG GLN A 103 8.967 7.259 -2.125 1.00 0.00 C ATOM 1544 CD GLN A 103 10.219 6.661 -2.723 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.985 5.982 -2.041 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.436 6.925 -4.005 1.00 0.00 N ATOM 0 H GLN A 103 6.714 7.589 -0.449 1.00 0.00 H new ATOM 0 HA GLN A 103 8.754 5.763 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.763 8.721 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.230 7.768 -0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.164 6.522 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.649 8.107 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.770 7.494 -4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.268 6.559 -4.467 1.00 0.00 H new ATOM 1555 N GLU A 104 8.267 8.005 2.425 1.00 0.00 N ATOM 1556 CA GLU A 104 8.661 8.421 3.770 1.00 0.00 C ATOM 1557 C GLU A 104 8.649 7.237 4.734 1.00 0.00 C ATOM 1558 O GLU A 104 9.531 7.103 5.581 1.00 0.00 O ATOM 1559 CB GLU A 104 7.739 9.525 4.297 1.00 0.00 C ATOM 1560 CG GLU A 104 7.744 10.785 3.447 1.00 0.00 C ATOM 1561 CD GLU A 104 9.137 11.350 3.252 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.855 10.863 2.352 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.512 12.279 3.998 1.00 0.00 O ATOM 0 H GLU A 104 7.403 8.428 2.085 1.00 0.00 H new ATOM 0 HA GLU A 104 9.676 8.813 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.721 9.140 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.039 9.782 5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.306 10.564 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.113 11.539 3.917 1.00 0.00 H new ATOM 1570 N MET A 105 7.642 6.382 4.594 1.00 0.00 N ATOM 1571 CA MET A 105 7.500 5.211 5.454 1.00 0.00 C ATOM 1572 C MET A 105 8.706 4.279 5.341 1.00 0.00 C ATOM 1573 O MET A 105 9.316 3.918 6.347 1.00 0.00 O ATOM 1574 CB MET A 105 6.215 4.463 5.104 1.00 0.00 C ATOM 1575 CG MET A 105 5.496 3.890 6.313 1.00 0.00 C ATOM 1576 SD MET A 105 6.359 2.484 7.039 1.00 0.00 S ATOM 1577 CE MET A 105 5.267 2.087 8.401 1.00 0.00 C ATOM 0 H MET A 105 6.909 6.478 3.891 1.00 0.00 H new ATOM 0 HA MET A 105 7.448 5.555 6.487 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.542 5.141 4.579 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.453 3.652 4.415 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.384 4.670 7.066 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.492 3.582 6.021 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.358 1.028 8.644 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.539 2.684 9.271 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.238 2.307 8.118 1.00 0.00 H new ATOM 1587 N VAL A 106 9.048 3.894 4.113 1.00 0.00 N ATOM 1588 CA VAL A 106 10.183 3.008 3.879 1.00 0.00 C ATOM 1589 C VAL A 106 11.478 3.650 4.363 1.00 0.00 C ATOM 1590 O VAL A 106 12.386 2.967 4.837 1.00 0.00 O ATOM 1591 CB VAL A 106 10.314 2.648 2.384 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.355 3.904 1.539 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.541 1.771 2.119 1.00 0.00 C ATOM 0 H VAL A 106 8.556 4.182 3.267 1.00 0.00 H new ATOM 0 HA VAL A 106 10.003 2.093 4.444 1.00 0.00 H new ATOM 0 HB VAL A 106 9.435 2.068 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.448 3.632 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.437 4.472 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.210 4.513 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.599 1.539 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.442 2.304 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.457 0.846 2.689 1.00 0.00 H new ATOM 1603 N HIS A 107 11.550 4.969 4.239 1.00 0.00 N ATOM 1604 CA HIS A 107 12.726 5.716 4.668 1.00 0.00 C ATOM 1605 C HIS A 107 12.764 5.872 6.188 1.00 0.00 C ATOM 1606 O HIS A 107 13.812 6.167 6.760 1.00 0.00 O ATOM 1607 CB HIS A 107 12.746 7.093 4.006 1.00 0.00 C ATOM 1608 CG HIS A 107 13.349 7.092 2.636 1.00 0.00 C ATOM 1609 ND1 HIS A 107 13.020 8.017 1.670 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.276 6.278 2.078 1.00 0.00 C ATOM 1611 CE1 HIS A 107 13.719 7.775 0.576 1.00 0.00 C ATOM 1612 NE2 HIS A 107 14.489 6.725 0.796 1.00 0.00 N ATOM 0 H HIS A 107 10.806 5.545 3.844 1.00 0.00 H new ATOM 0 HA HIS A 107 13.608 5.153 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 107 11.726 7.472 3.944 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.304 7.783 4.639 1.00 0.00 H new ATOM 0 HD1 HIS A 107 12.342 8.771 1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.758 5.435 2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.669 8.340 -0.343 1.00 0.00 H new ATOM 1621 N SER A 108 11.621 5.671 6.836 1.00 0.00 N ATOM 1622 CA SER A 108 11.540 5.789 8.288 1.00 0.00 C ATOM 1623 C SER A 108 12.339 4.682 8.969 1.00 0.00 C ATOM 1624 O SER A 108 13.559 4.867 9.162 1.00 0.00 O ATOM 1625 CB SER A 108 10.083 5.737 8.746 1.00 0.00 C ATOM 1626 OG SER A 108 9.989 5.815 10.158 1.00 0.00 O ATOM 1627 OXT SER A 108 11.738 3.639 9.303 1.00 0.00 O ATOM 0 H SER A 108 10.741 5.427 6.381 1.00 0.00 H new ATOM 0 HA SER A 108 11.968 6.750 8.573 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.527 6.559 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.622 4.813 8.398 1.00 0.00 H new ATOM 0 HG SER A 108 9.047 5.781 10.425 1.00 0.00 H new TER 1633 SER A 108