USER MOD reduce.3.24.130724 H: found=0, std=0, add=1100, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1100 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 98 LYS NZ :NH3+ 154:sc= -0.0766 (180deg=0) USER MOD Set 1.2: A 102 LYS NZ :NH3+ 155:sc= 0.386 (180deg=0.83) USER MOD Set 2.1: A 15 ASN : amide:sc= -6.61! C(o=-6.7!,f=-3.3!) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.121 K(o=-6.7,f=-4.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.0454 (180deg=-0.932) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0264 (180deg=-0.384) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -120:sc= -1.9! USER MOD Single : A 14 TYR OH : rot -109:sc= -3.35! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 31 TYR OH : rot -176:sc= -4.02 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 41 GLN : amide:sc= -12.9! C(o=-13!,f=-4.3!) USER MOD Single : A 45 TYR OH : rot 147:sc= -0.743! USER MOD Single : A 46 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 47 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0071) USER MOD Single : A 50 GLN : amide:sc= 0.204 X(o=0.2,f=0) USER MOD Single : A 51 GLN : amide:sc= -12.5! C(o=-13!,f=-7.9!) USER MOD Single : A 52 CYS SG : rot 154:sc= -1.99 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00438 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -166:sc= -2.25 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 64:sc= -4! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -116:sc= 0.286 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.443 (180deg=-1.27!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4!) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= -0.0319 (180deg=-0.446) USER MOD Single : A 94 THR OG1 : rot -163:sc= -2.14 USER MOD Single : A 96 THR OG1 : rot -18:sc= 0.339 USER MOD Single : A 99 THR OG1 : rot -49:sc= -1.15! USER MOD Single : A 106 GLN : amide:sc= -0.897 K(o=-0.9,f=-0.15) USER MOD Single : A 110 LYS NZ :NH3+ -135:sc= -4.52! (180deg=-7.03!) USER MOD Single : A 115 SER OG : rot 39:sc= 0.595 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -153:sc= -0.115 (180deg=-0.76) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN : amide:sc= -3.38! C(o=-3.4!,f=-1.4!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.041 -21.045 8.681 1.00 0.00 N ATOM 2 CA MET A 1 -7.990 -20.660 7.243 1.00 0.00 C ATOM 3 C MET A 1 -9.083 -19.631 6.950 1.00 0.00 C ATOM 4 O MET A 1 -9.481 -18.873 7.813 1.00 0.00 O ATOM 5 CB MET A 1 -8.211 -21.900 6.374 1.00 0.00 C ATOM 6 CG MET A 1 -7.332 -23.044 6.882 1.00 0.00 C ATOM 7 SD MET A 1 -6.676 -23.972 5.473 1.00 0.00 S ATOM 8 CE MET A 1 -5.244 -22.915 5.151 1.00 0.00 C ATOM 0 H1 MET A 1 -7.097 -21.349 8.993 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.347 -20.229 9.248 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.716 -21.826 8.807 1.00 0.00 H new ATOM 0 HA MET A 1 -7.015 -20.228 7.018 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.260 -22.194 6.402 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.970 -21.676 5.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.514 -22.649 7.484 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.912 -23.704 7.527 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.684 -23.310 4.303 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.582 -21.904 4.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.602 -22.894 6.032 1.00 0.00 H new ATOM 20 N ALA A 2 -9.571 -19.596 5.741 1.00 0.00 N ATOM 21 CA ALA A 2 -10.638 -18.617 5.394 1.00 0.00 C ATOM 22 C ALA A 2 -10.018 -17.230 5.208 1.00 0.00 C ATOM 23 O ALA A 2 -10.706 -16.229 5.187 1.00 0.00 O ATOM 24 CB ALA A 2 -11.671 -18.566 6.523 1.00 0.00 C ATOM 0 H ALA A 2 -9.276 -20.204 4.977 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.125 -18.924 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.452 -17.849 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.113 -19.553 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.184 -18.259 7.448 1.00 0.00 H new ATOM 30 N THR A 3 -8.721 -17.163 5.074 1.00 0.00 N ATOM 31 CA THR A 3 -8.060 -15.841 4.888 1.00 0.00 C ATOM 32 C THR A 3 -8.338 -14.957 6.107 1.00 0.00 C ATOM 33 O THR A 3 -9.450 -14.886 6.591 1.00 0.00 O ATOM 34 CB THR A 3 -8.612 -15.165 3.631 1.00 0.00 C ATOM 35 OG1 THR A 3 -8.736 -16.129 2.595 1.00 0.00 O ATOM 36 CG2 THR A 3 -7.660 -14.054 3.186 1.00 0.00 C ATOM 0 H THR A 3 -8.092 -17.966 5.085 1.00 0.00 H new ATOM 0 HA THR A 3 -6.985 -15.985 4.779 1.00 0.00 H new ATOM 0 HB THR A 3 -9.590 -14.735 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.091 -15.699 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.055 -13.574 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.565 -13.316 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.681 -14.480 2.968 1.00 0.00 H new ATOM 44 N LYS A 4 -7.333 -14.284 6.604 1.00 0.00 N ATOM 45 CA LYS A 4 -7.534 -13.404 7.791 1.00 0.00 C ATOM 46 C LYS A 4 -6.970 -12.013 7.495 1.00 0.00 C ATOM 47 O LYS A 4 -5.814 -11.861 7.150 1.00 0.00 O ATOM 48 CB LYS A 4 -6.809 -14.003 8.997 1.00 0.00 C ATOM 49 CG LYS A 4 -7.760 -14.930 9.756 1.00 0.00 C ATOM 50 CD LYS A 4 -6.948 -15.956 10.550 1.00 0.00 C ATOM 51 CE LYS A 4 -7.873 -16.701 11.515 1.00 0.00 C ATOM 52 NZ LYS A 4 -8.972 -17.351 10.748 1.00 0.00 N ATOM 0 H LYS A 4 -6.381 -14.307 6.238 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.599 -13.325 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.930 -14.557 8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.457 -13.208 9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.390 -14.349 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.424 -15.438 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.469 -16.661 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.153 -15.457 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.309 -17.451 12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.287 -16.008 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.446 -18.054 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.660 -16.631 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.578 -17.823 9.909 1.00 0.00 H new ATOM 66 N ILE A 5 -7.780 -10.997 7.625 1.00 0.00 N ATOM 67 CA ILE A 5 -7.302 -9.613 7.351 1.00 0.00 C ATOM 68 C ILE A 5 -7.158 -8.851 8.673 1.00 0.00 C ATOM 69 O ILE A 5 -8.054 -8.836 9.493 1.00 0.00 O ATOM 70 CB ILE A 5 -8.318 -8.905 6.450 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.778 -7.534 6.036 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.638 -8.731 7.203 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.920 -7.685 4.780 1.00 0.00 C ATOM 0 H ILE A 5 -8.757 -11.068 7.911 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.333 -9.646 6.852 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.487 -9.508 5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.603 -6.848 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.186 -7.104 6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.360 -8.227 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.026 -9.709 7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.470 -8.133 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.534 -6.710 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.087 -8.357 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.526 -8.096 3.973 1.00 0.00 H new ATOM 85 N ASP A 6 -6.033 -8.218 8.888 1.00 0.00 N ATOM 86 CA ASP A 6 -5.835 -7.457 10.156 1.00 0.00 C ATOM 87 C ASP A 6 -6.005 -5.960 9.884 1.00 0.00 C ATOM 88 O ASP A 6 -5.095 -5.179 10.077 1.00 0.00 O ATOM 89 CB ASP A 6 -4.429 -7.726 10.699 1.00 0.00 C ATOM 90 CG ASP A 6 -3.475 -8.009 9.538 1.00 0.00 C ATOM 91 OD1 ASP A 6 -3.591 -7.336 8.526 1.00 0.00 O ATOM 92 OD2 ASP A 6 -2.646 -8.891 9.680 1.00 0.00 O ATOM 0 H ASP A 6 -5.245 -8.196 8.241 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.573 -7.776 10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.078 -6.866 11.270 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.449 -8.575 11.382 1.00 0.00 H new ATOM 97 N LYS A 7 -7.159 -5.551 9.434 1.00 0.00 N ATOM 98 CA LYS A 7 -7.373 -4.103 9.150 1.00 0.00 C ATOM 99 C LYS A 7 -6.826 -3.269 10.309 1.00 0.00 C ATOM 100 O LYS A 7 -6.655 -2.071 10.196 1.00 0.00 O ATOM 101 CB LYS A 7 -8.870 -3.823 8.986 1.00 0.00 C ATOM 102 CG LYS A 7 -9.619 -5.140 8.782 1.00 0.00 C ATOM 103 CD LYS A 7 -9.698 -5.895 10.110 1.00 0.00 C ATOM 104 CE LYS A 7 -11.150 -5.933 10.591 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.191 -6.380 12.012 1.00 0.00 N ATOM 0 H LYS A 7 -7.961 -6.154 9.251 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.852 -3.837 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.253 -3.308 9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.036 -3.163 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.622 -4.945 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.109 -5.749 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.318 -6.909 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.070 -5.408 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.602 -4.946 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.733 -6.611 9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.178 -6.406 12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.775 -7.330 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.648 -5.716 12.601 1.00 0.00 H new ATOM 119 N GLU A 8 -6.548 -3.889 11.422 1.00 0.00 N ATOM 120 CA GLU A 8 -6.010 -3.129 12.585 1.00 0.00 C ATOM 121 C GLU A 8 -4.749 -2.375 12.161 1.00 0.00 C ATOM 122 O GLU A 8 -4.618 -1.188 12.388 1.00 0.00 O ATOM 123 CB GLU A 8 -5.669 -4.100 13.717 1.00 0.00 C ATOM 124 CG GLU A 8 -6.786 -4.080 14.762 1.00 0.00 C ATOM 125 CD GLU A 8 -6.644 -5.292 15.684 1.00 0.00 C ATOM 126 OE1 GLU A 8 -6.288 -6.349 15.190 1.00 0.00 O ATOM 127 OE2 GLU A 8 -6.894 -5.143 16.869 1.00 0.00 O ATOM 0 H GLU A 8 -6.670 -4.890 11.577 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.759 -2.418 12.932 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.546 -5.108 13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.721 -3.820 14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.738 -3.160 15.344 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.759 -4.096 14.270 1.00 0.00 H new ATOM 134 N ALA A 9 -3.819 -3.051 11.547 1.00 0.00 N ATOM 135 CA ALA A 9 -2.569 -2.371 11.109 1.00 0.00 C ATOM 136 C ALA A 9 -2.904 -1.337 10.032 1.00 0.00 C ATOM 137 O ALA A 9 -2.623 -0.163 10.175 1.00 0.00 O ATOM 138 CB ALA A 9 -1.598 -3.406 10.538 1.00 0.00 C ATOM 0 H ALA A 9 -3.871 -4.046 11.329 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.108 -1.873 11.962 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.683 -2.908 10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.360 -4.144 11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.058 -3.905 9.685 1.00 0.00 H new ATOM 144 N CYS A 10 -3.498 -1.763 8.951 1.00 0.00 N ATOM 145 CA CYS A 10 -3.844 -0.805 7.864 1.00 0.00 C ATOM 146 C CYS A 10 -4.734 0.310 8.420 1.00 0.00 C ATOM 147 O CYS A 10 -4.350 1.463 8.441 1.00 0.00 O ATOM 148 CB CYS A 10 -4.590 -1.546 6.753 1.00 0.00 C ATOM 149 SG CYS A 10 -3.880 -3.199 6.548 1.00 0.00 S ATOM 0 H CYS A 10 -3.759 -2.733 8.774 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.929 -0.368 7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.649 -1.621 6.999 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.519 -0.989 5.819 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.426 -3.329 5.337 1.00 0.00 H new ATOM 155 N ARG A 11 -5.925 -0.011 8.855 1.00 0.00 N ATOM 156 CA ARG A 11 -6.833 1.045 9.386 1.00 0.00 C ATOM 157 C ARG A 11 -6.058 1.981 10.316 1.00 0.00 C ATOM 158 O ARG A 11 -6.007 3.176 10.104 1.00 0.00 O ATOM 159 CB ARG A 11 -7.978 0.388 10.162 1.00 0.00 C ATOM 160 CG ARG A 11 -8.954 1.465 10.640 1.00 0.00 C ATOM 161 CD ARG A 11 -8.832 1.629 12.156 1.00 0.00 C ATOM 162 NE ARG A 11 -9.185 0.344 12.824 1.00 0.00 N ATOM 163 CZ ARG A 11 -8.871 0.153 14.076 1.00 0.00 C ATOM 164 NH1 ARG A 11 -8.248 1.085 14.743 1.00 0.00 N ATOM 165 NH2 ARG A 11 -9.181 -0.972 14.660 1.00 0.00 N ATOM 0 H ARG A 11 -6.306 -0.957 8.865 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.237 1.622 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.496 -0.331 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.584 -0.165 11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.740 2.411 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.975 1.189 10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.816 1.922 12.420 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.493 2.424 12.501 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.672 -0.385 12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.006 1.964 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.003 0.935 15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.668 -1.700 14.138 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.936 -1.123 15.639 1.00 0.00 H new ATOM 179 N ALA A 12 -5.458 1.452 11.346 1.00 0.00 N ATOM 180 CA ALA A 12 -4.692 2.320 12.283 1.00 0.00 C ATOM 181 C ALA A 12 -3.674 3.145 11.493 1.00 0.00 C ATOM 182 O ALA A 12 -3.368 4.268 11.841 1.00 0.00 O ATOM 183 CB ALA A 12 -3.957 1.447 13.303 1.00 0.00 C ATOM 0 H ALA A 12 -5.465 0.459 11.579 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.378 2.988 12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.396 2.082 13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.681 0.856 13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.270 0.780 12.783 1.00 0.00 H new ATOM 189 N ALA A 13 -3.145 2.599 10.432 1.00 0.00 N ATOM 190 CA ALA A 13 -2.146 3.355 9.626 1.00 0.00 C ATOM 191 C ALA A 13 -2.867 4.324 8.685 1.00 0.00 C ATOM 192 O ALA A 13 -2.435 5.440 8.478 1.00 0.00 O ATOM 193 CB ALA A 13 -1.309 2.374 8.803 1.00 0.00 C ATOM 0 H ALA A 13 -3.361 1.663 10.089 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.496 3.919 10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.578 2.926 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.791 1.687 9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.961 1.809 8.137 1.00 0.00 H new ATOM 199 N TYR A 14 -3.960 3.904 8.109 1.00 0.00 N ATOM 200 CA TYR A 14 -4.706 4.795 7.177 1.00 0.00 C ATOM 201 C TYR A 14 -4.941 6.159 7.832 1.00 0.00 C ATOM 202 O TYR A 14 -4.691 7.192 7.243 1.00 0.00 O ATOM 203 CB TYR A 14 -6.060 4.166 6.847 1.00 0.00 C ATOM 204 CG TYR A 14 -6.016 3.538 5.475 1.00 0.00 C ATOM 205 CD1 TYR A 14 -5.048 2.572 5.176 1.00 0.00 C ATOM 206 CD2 TYR A 14 -6.947 3.919 4.502 1.00 0.00 C ATOM 207 CE1 TYR A 14 -5.012 1.987 3.904 1.00 0.00 C ATOM 208 CE2 TYR A 14 -6.912 3.335 3.231 1.00 0.00 C ATOM 209 CZ TYR A 14 -5.945 2.368 2.932 1.00 0.00 C ATOM 210 OH TYR A 14 -5.911 1.790 1.679 1.00 0.00 O ATOM 0 H TYR A 14 -4.369 2.980 8.244 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.121 4.924 6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.312 3.412 7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.842 4.925 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.329 2.278 5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.693 4.665 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.265 1.242 3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.631 3.630 2.481 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.600 2.448 1.023 1.00 0.00 H new ATOM 220 N ASN A 15 -5.431 6.169 9.040 1.00 0.00 N ATOM 221 CA ASN A 15 -5.699 7.465 9.725 1.00 0.00 C ATOM 222 C ASN A 15 -4.400 8.034 10.301 1.00 0.00 C ATOM 223 O ASN A 15 -4.316 9.204 10.618 1.00 0.00 O ATOM 224 CB ASN A 15 -6.704 7.239 10.857 1.00 0.00 C ATOM 225 CG ASN A 15 -7.009 5.743 10.980 1.00 0.00 C ATOM 226 OD1 ASN A 15 -6.892 5.174 12.047 1.00 0.00 O ATOM 227 ND2 ASN A 15 -7.398 5.078 9.925 1.00 0.00 N ATOM 0 H ASN A 15 -5.658 5.336 9.583 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.107 8.174 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.300 7.617 11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.622 7.793 10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.603 4.082 9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.496 5.555 9.029 1.00 0.00 H new ATOM 234 N LEU A 16 -3.387 7.225 10.440 1.00 0.00 N ATOM 235 CA LEU A 16 -2.102 7.736 10.997 1.00 0.00 C ATOM 236 C LEU A 16 -1.433 8.658 9.977 1.00 0.00 C ATOM 237 O LEU A 16 -0.622 9.494 10.321 1.00 0.00 O ATOM 238 CB LEU A 16 -1.174 6.559 11.306 1.00 0.00 C ATOM 239 CG LEU A 16 0.055 7.058 12.070 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.377 7.621 13.426 1.00 0.00 C ATOM 241 CD2 LEU A 16 1.023 5.892 12.289 1.00 0.00 C ATOM 0 H LEU A 16 -3.392 6.235 10.193 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.301 8.292 11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.703 5.812 11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.866 6.073 10.380 1.00 0.00 H new ATOM 0 HG LEU A 16 0.548 7.841 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.499 7.976 13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.069 8.449 13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.870 6.839 14.004 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.900 6.244 12.833 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.527 5.111 12.866 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.332 5.490 11.324 1.00 0.00 H new ATOM 253 N VAL A 17 -1.764 8.512 8.724 1.00 0.00 N ATOM 254 CA VAL A 17 -1.143 9.383 7.685 1.00 0.00 C ATOM 255 C VAL A 17 -2.019 10.617 7.462 1.00 0.00 C ATOM 256 O VAL A 17 -1.683 11.498 6.696 1.00 0.00 O ATOM 257 CB VAL A 17 -1.016 8.603 6.376 1.00 0.00 C ATOM 258 CG1 VAL A 17 0.146 7.615 6.483 1.00 0.00 C ATOM 259 CG2 VAL A 17 -2.312 7.837 6.110 1.00 0.00 C ATOM 0 H VAL A 17 -2.436 7.829 8.374 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.154 9.697 8.018 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.830 9.297 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.237 7.058 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.071 8.160 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.041 6.921 7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.221 7.281 5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.499 7.143 6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.141 8.540 6.034 1.00 0.00 H new ATOM 269 N ARG A 18 -3.141 10.686 8.125 1.00 0.00 N ATOM 270 CA ARG A 18 -4.038 11.863 7.951 1.00 0.00 C ATOM 271 C ARG A 18 -3.318 13.125 8.429 1.00 0.00 C ATOM 272 O ARG A 18 -3.829 14.222 8.318 1.00 0.00 O ATOM 273 CB ARG A 18 -5.312 11.659 8.772 1.00 0.00 C ATOM 274 CG ARG A 18 -6.517 12.173 7.982 1.00 0.00 C ATOM 275 CD ARG A 18 -7.788 11.984 8.815 1.00 0.00 C ATOM 276 NE ARG A 18 -8.854 11.333 7.989 1.00 0.00 N ATOM 277 CZ ARG A 18 -9.105 11.737 6.770 1.00 0.00 C ATOM 278 NH1 ARG A 18 -8.480 12.770 6.276 1.00 0.00 N ATOM 279 NH2 ARG A 18 -10.001 11.116 6.053 1.00 0.00 N ATOM 0 H ARG A 18 -3.475 9.978 8.779 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.299 11.970 6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.441 10.602 9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.234 12.188 9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.383 13.227 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.604 11.635 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.571 11.372 9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.139 12.949 9.181 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.393 10.562 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.791 13.267 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.680 13.080 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.503 10.318 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.199 11.428 5.102 1.00 0.00 H new ATOM 293 N ASP A 19 -2.137 12.978 8.962 1.00 0.00 N ATOM 294 CA ASP A 19 -1.387 14.170 9.447 1.00 0.00 C ATOM 295 C ASP A 19 -0.393 14.623 8.374 1.00 0.00 C ATOM 296 O ASP A 19 -0.014 13.861 7.507 1.00 0.00 O ATOM 297 CB ASP A 19 -0.627 13.808 10.726 1.00 0.00 C ATOM 298 CG ASP A 19 -0.595 15.019 11.659 1.00 0.00 C ATOM 299 OD1 ASP A 19 -1.519 15.163 12.444 1.00 0.00 O ATOM 300 OD2 ASP A 19 0.353 15.782 11.576 1.00 0.00 O ATOM 0 H ASP A 19 -1.659 12.085 9.083 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.088 14.979 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.109 12.966 11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.389 13.496 10.482 1.00 0.00 H new ATOM 305 N ASP A 20 0.035 15.854 8.427 1.00 0.00 N ATOM 306 CA ASP A 20 1.006 16.349 7.409 1.00 0.00 C ATOM 307 C ASP A 20 2.355 15.654 7.608 1.00 0.00 C ATOM 308 O ASP A 20 3.372 16.095 7.111 1.00 0.00 O ATOM 309 CB ASP A 20 1.182 17.860 7.565 1.00 0.00 C ATOM 310 CG ASP A 20 0.587 18.310 8.900 1.00 0.00 C ATOM 311 OD1 ASP A 20 1.073 17.858 9.925 1.00 0.00 O ATOM 312 OD2 ASP A 20 -0.346 19.095 8.877 1.00 0.00 O ATOM 0 H ASP A 20 -0.245 16.538 9.130 1.00 0.00 H new ATOM 0 HA ASP A 20 0.629 16.128 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.240 18.120 7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.691 18.380 6.743 1.00 0.00 H new ATOM 317 N GLY A 21 2.371 14.570 8.336 1.00 0.00 N ATOM 318 CA GLY A 21 3.652 13.846 8.572 1.00 0.00 C ATOM 319 C GLY A 21 3.616 13.200 9.958 1.00 0.00 C ATOM 320 O GLY A 21 4.226 13.681 10.893 1.00 0.00 O ATOM 0 H GLY A 21 1.551 14.155 8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.800 13.084 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.492 14.537 8.501 1.00 0.00 H new ATOM 324 N SER A 22 2.900 12.119 10.101 1.00 0.00 N ATOM 325 CA SER A 22 2.820 11.448 11.427 1.00 0.00 C ATOM 326 C SER A 22 3.732 10.220 11.444 1.00 0.00 C ATOM 327 O SER A 22 4.476 10.003 12.380 1.00 0.00 O ATOM 328 CB SER A 22 1.378 11.012 11.690 1.00 0.00 C ATOM 329 OG SER A 22 0.881 11.696 12.832 1.00 0.00 O ATOM 0 H SER A 22 2.367 11.672 9.355 1.00 0.00 H new ATOM 0 HA SER A 22 3.141 12.145 12.201 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.756 11.230 10.822 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.335 9.935 11.850 1.00 0.00 H new ATOM 0 HG SER A 22 -0.044 11.420 13.002 1.00 0.00 H new ATOM 335 N ALA A 23 3.684 9.411 10.421 1.00 0.00 N ATOM 336 CA ALA A 23 4.554 8.201 10.400 1.00 0.00 C ATOM 337 C ALA A 23 4.580 7.587 8.999 1.00 0.00 C ATOM 338 O ALA A 23 4.605 8.280 8.001 1.00 0.00 O ATOM 339 CB ALA A 23 4.013 7.171 11.394 1.00 0.00 C ATOM 0 H ALA A 23 3.085 9.534 9.605 1.00 0.00 H new ATOM 0 HA ALA A 23 5.568 8.490 10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.647 6.285 11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.009 7.600 12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.997 6.894 11.114 1.00 0.00 H new ATOM 345 N VAL A 24 4.589 6.282 8.925 1.00 0.00 N ATOM 346 CA VAL A 24 4.630 5.596 7.602 1.00 0.00 C ATOM 347 C VAL A 24 3.749 6.331 6.590 1.00 0.00 C ATOM 348 O VAL A 24 2.567 6.514 6.802 1.00 0.00 O ATOM 349 CB VAL A 24 4.126 4.156 7.759 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.702 3.545 9.036 1.00 0.00 C ATOM 351 CG2 VAL A 24 2.597 4.153 7.845 1.00 0.00 C ATOM 0 H VAL A 24 4.570 5.658 9.732 1.00 0.00 H new ATOM 0 HA VAL A 24 5.658 5.594 7.240 1.00 0.00 H new ATOM 0 HB VAL A 24 4.446 3.570 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.342 2.522 9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.791 3.542 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.385 4.134 9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.241 3.129 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.280 4.743 8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.181 4.585 6.935 1.00 0.00 H new ATOM 361 N ILE A 25 4.305 6.740 5.481 1.00 0.00 N ATOM 362 CA ILE A 25 3.473 7.440 4.462 1.00 0.00 C ATOM 363 C ILE A 25 2.407 6.456 3.972 1.00 0.00 C ATOM 364 O ILE A 25 1.224 6.725 4.043 1.00 0.00 O ATOM 365 CB ILE A 25 4.360 7.916 3.296 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.558 7.925 1.990 1.00 0.00 C ATOM 367 CG2 ILE A 25 5.565 6.987 3.149 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.421 8.497 0.864 1.00 0.00 C ATOM 0 H ILE A 25 5.289 6.621 5.239 1.00 0.00 H new ATOM 0 HA ILE A 25 2.994 8.319 4.892 1.00 0.00 H new ATOM 0 HB ILE A 25 4.705 8.928 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.239 6.913 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.655 8.523 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.189 7.328 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.146 6.997 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.220 5.973 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.850 8.503 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.718 9.516 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.311 7.880 0.739 1.00 0.00 H new ATOM 380 N TRP A 26 2.820 5.303 3.503 1.00 0.00 N ATOM 381 CA TRP A 26 1.836 4.283 3.041 1.00 0.00 C ATOM 382 C TRP A 26 2.157 2.953 3.715 1.00 0.00 C ATOM 383 O TRP A 26 3.225 2.771 4.265 1.00 0.00 O ATOM 384 CB TRP A 26 1.885 4.122 1.509 1.00 0.00 C ATOM 385 CG TRP A 26 3.277 3.810 1.028 1.00 0.00 C ATOM 386 CD1 TRP A 26 4.063 4.667 0.327 1.00 0.00 C ATOM 387 CD2 TRP A 26 4.051 2.574 1.159 1.00 0.00 C ATOM 388 NE1 TRP A 26 5.270 4.055 0.055 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.312 2.767 0.542 1.00 0.00 C ATOM 390 CE3 TRP A 26 3.797 1.324 1.754 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.277 1.760 0.519 1.00 0.00 C ATOM 392 CZ3 TRP A 26 4.766 0.312 1.729 1.00 0.00 C ATOM 393 CH2 TRP A 26 6.003 0.528 1.116 1.00 0.00 C ATOM 0 H TRP A 26 3.799 5.027 3.421 1.00 0.00 H new ATOM 0 HA TRP A 26 0.831 4.608 3.311 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.207 3.324 1.205 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.533 5.038 1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.788 5.668 0.030 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.038 4.502 -0.446 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.847 1.143 2.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.231 1.932 0.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.555 -0.643 2.187 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.745 -0.256 1.104 1.00 0.00 H new ATOM 404 N VAL A 27 1.247 2.017 3.676 1.00 0.00 N ATOM 405 CA VAL A 27 1.511 0.693 4.311 1.00 0.00 C ATOM 406 C VAL A 27 1.100 -0.422 3.345 1.00 0.00 C ATOM 407 O VAL A 27 0.035 -0.385 2.762 1.00 0.00 O ATOM 408 CB VAL A 27 0.709 0.577 5.607 1.00 0.00 C ATOM 409 CG1 VAL A 27 1.204 1.622 6.607 1.00 0.00 C ATOM 410 CG2 VAL A 27 -0.774 0.816 5.316 1.00 0.00 C ATOM 0 H VAL A 27 0.333 2.111 3.233 1.00 0.00 H new ATOM 0 HA VAL A 27 2.573 0.602 4.539 1.00 0.00 H new ATOM 0 HB VAL A 27 0.841 -0.421 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.633 1.540 7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.260 1.453 6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.073 2.619 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.344 0.733 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.906 1.813 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.129 0.072 4.603 1.00 0.00 H new ATOM 420 N THR A 28 1.936 -1.414 3.171 1.00 0.00 N ATOM 421 CA THR A 28 1.591 -2.532 2.242 1.00 0.00 C ATOM 422 C THR A 28 1.707 -3.866 2.978 1.00 0.00 C ATOM 423 O THR A 28 2.649 -4.099 3.709 1.00 0.00 O ATOM 424 CB THR A 28 2.561 -2.548 1.056 1.00 0.00 C ATOM 425 OG1 THR A 28 3.888 -2.705 1.536 1.00 0.00 O ATOM 426 CG2 THR A 28 2.452 -1.243 0.265 1.00 0.00 C ATOM 0 H THR A 28 2.842 -1.498 3.632 1.00 0.00 H new ATOM 0 HA THR A 28 0.572 -2.385 1.885 1.00 0.00 H new ATOM 0 HB THR A 28 2.307 -3.380 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.510 -2.717 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.146 -1.267 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.435 -1.128 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.697 -0.402 0.914 1.00 0.00 H new ATOM 434 N PHE A 29 0.772 -4.753 2.766 1.00 0.00 N ATOM 435 CA PHE A 29 0.840 -6.083 3.422 1.00 0.00 C ATOM 436 C PHE A 29 0.948 -7.136 2.333 1.00 0.00 C ATOM 437 O PHE A 29 0.683 -6.873 1.177 1.00 0.00 O ATOM 438 CB PHE A 29 -0.410 -6.355 4.263 1.00 0.00 C ATOM 439 CG PHE A 29 -1.451 -5.290 4.036 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.177 -3.955 4.350 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.706 -5.649 3.532 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.162 -2.978 4.160 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.687 -4.673 3.339 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.417 -3.340 3.655 1.00 0.00 C ATOM 0 H PHE A 29 -0.038 -4.609 2.163 1.00 0.00 H new ATOM 0 HA PHE A 29 1.703 -6.110 4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.821 -7.332 4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.143 -6.389 5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.208 -3.678 4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.916 -6.681 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.954 -1.946 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.654 -4.950 2.945 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.177 -2.587 3.510 1.00 0.00 H new ATOM 454 N ARG A 30 1.342 -8.318 2.682 1.00 0.00 N ATOM 455 CA ARG A 30 1.476 -9.374 1.656 1.00 0.00 C ATOM 456 C ARG A 30 0.997 -10.703 2.227 1.00 0.00 C ATOM 457 O ARG A 30 1.200 -11.008 3.386 1.00 0.00 O ATOM 458 CB ARG A 30 2.938 -9.477 1.235 1.00 0.00 C ATOM 459 CG ARG A 30 3.824 -9.562 2.480 1.00 0.00 C ATOM 460 CD ARG A 30 5.292 -9.428 2.064 1.00 0.00 C ATOM 461 NE ARG A 30 6.111 -10.519 2.685 1.00 0.00 N ATOM 462 CZ ARG A 30 5.974 -10.837 3.947 1.00 0.00 C ATOM 463 NH1 ARG A 30 5.156 -10.171 4.713 1.00 0.00 N ATOM 464 NH2 ARG A 30 6.675 -11.818 4.448 1.00 0.00 N ATOM 0 H ARG A 30 1.577 -8.600 3.634 1.00 0.00 H new ATOM 0 HA ARG A 30 0.868 -9.126 0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.086 -10.357 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.217 -8.610 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.560 -8.773 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.664 -10.511 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.375 -9.475 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.677 -8.456 2.371 1.00 0.00 H new ATOM 0 HE ARG A 30 6.788 -11.023 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.616 -9.395 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.056 -10.426 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.327 -12.333 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.571 -12.069 5.431 1.00 0.00 H new ATOM 478 N TYR A 31 0.345 -11.488 1.423 1.00 0.00 N ATOM 479 CA TYR A 31 -0.173 -12.791 1.905 1.00 0.00 C ATOM 480 C TYR A 31 0.876 -13.478 2.768 1.00 0.00 C ATOM 481 O TYR A 31 1.777 -14.124 2.271 1.00 0.00 O ATOM 482 CB TYR A 31 -0.503 -13.675 0.705 1.00 0.00 C ATOM 483 CG TYR A 31 -1.946 -13.472 0.320 1.00 0.00 C ATOM 484 CD1 TYR A 31 -2.363 -12.241 -0.199 1.00 0.00 C ATOM 485 CD2 TYR A 31 -2.867 -14.512 0.484 1.00 0.00 C ATOM 486 CE1 TYR A 31 -3.703 -12.050 -0.556 1.00 0.00 C ATOM 487 CE2 TYR A 31 -4.206 -14.321 0.128 1.00 0.00 C ATOM 488 CZ TYR A 31 -4.624 -13.091 -0.391 1.00 0.00 C ATOM 489 OH TYR A 31 -5.944 -12.905 -0.742 1.00 0.00 O ATOM 0 H TYR A 31 0.147 -11.280 0.444 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.071 -12.625 2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.148 -13.427 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.323 -14.722 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.651 -11.439 -0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.544 -15.461 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.026 -11.101 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.918 -15.124 0.254 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.461 -13.703 -0.506 1.00 0.00 H new ATOM 499 N ASP A 32 0.755 -13.368 4.059 1.00 0.00 N ATOM 500 CA ASP A 32 1.736 -14.043 4.943 1.00 0.00 C ATOM 501 C ASP A 32 1.120 -15.358 5.405 1.00 0.00 C ATOM 502 O ASP A 32 0.282 -15.391 6.284 1.00 0.00 O ATOM 503 CB ASP A 32 2.035 -13.158 6.154 1.00 0.00 C ATOM 504 CG ASP A 32 3.534 -13.190 6.454 1.00 0.00 C ATOM 505 OD1 ASP A 32 4.101 -14.269 6.426 1.00 0.00 O ATOM 506 OD2 ASP A 32 4.091 -12.134 6.706 1.00 0.00 O ATOM 0 H ASP A 32 0.023 -12.843 4.537 1.00 0.00 H new ATOM 0 HA ASP A 32 2.668 -14.226 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.715 -12.135 5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.473 -13.507 7.020 1.00 0.00 H new ATOM 511 N GLY A 33 1.519 -16.444 4.810 1.00 0.00 N ATOM 512 CA GLY A 33 0.942 -17.757 5.207 1.00 0.00 C ATOM 513 C GLY A 33 -0.578 -17.710 5.029 1.00 0.00 C ATOM 514 O GLY A 33 -1.077 -17.507 3.940 1.00 0.00 O ATOM 0 H GLY A 33 2.218 -16.481 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.368 -18.554 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.193 -17.980 6.244 1.00 0.00 H new ATOM 518 N ALA A 34 -1.315 -17.913 6.088 1.00 0.00 N ATOM 519 CA ALA A 34 -2.803 -17.899 5.974 1.00 0.00 C ATOM 520 C ALA A 34 -3.373 -16.629 6.614 1.00 0.00 C ATOM 521 O ALA A 34 -4.523 -16.584 7.004 1.00 0.00 O ATOM 522 CB ALA A 34 -3.375 -19.125 6.688 1.00 0.00 C ATOM 0 H ALA A 34 -0.952 -18.088 7.025 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.079 -17.919 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.462 -19.119 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.982 -20.031 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.089 -19.100 7.740 1.00 0.00 H new ATOM 528 N THR A 35 -2.582 -15.595 6.724 1.00 0.00 N ATOM 529 CA THR A 35 -3.092 -14.334 7.336 1.00 0.00 C ATOM 530 C THR A 35 -2.489 -13.123 6.620 1.00 0.00 C ATOM 531 O THR A 35 -1.303 -13.069 6.358 1.00 0.00 O ATOM 532 CB THR A 35 -2.706 -14.293 8.818 1.00 0.00 C ATOM 533 OG1 THR A 35 -2.850 -15.590 9.379 1.00 0.00 O ATOM 534 CG2 THR A 35 -3.616 -13.310 9.558 1.00 0.00 C ATOM 0 H THR A 35 -1.609 -15.569 6.418 1.00 0.00 H new ATOM 0 HA THR A 35 -4.177 -14.304 7.238 1.00 0.00 H new ATOM 0 HB THR A 35 -1.670 -13.968 8.915 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.602 -15.566 10.327 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.340 -13.282 10.612 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.504 -12.315 9.127 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.653 -13.632 9.463 1.00 0.00 H new ATOM 542 N ILE A 36 -3.299 -12.144 6.309 1.00 0.00 N ATOM 543 CA ILE A 36 -2.778 -10.929 5.618 1.00 0.00 C ATOM 544 C ILE A 36 -2.220 -9.962 6.665 1.00 0.00 C ATOM 545 O ILE A 36 -2.953 -9.387 7.445 1.00 0.00 O ATOM 546 CB ILE A 36 -3.917 -10.259 4.841 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.948 -10.812 3.415 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.703 -8.741 4.791 1.00 0.00 C ATOM 549 CD1 ILE A 36 -4.258 -12.310 3.456 1.00 0.00 C ATOM 0 H ILE A 36 -4.300 -12.135 6.505 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.987 -11.206 4.921 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.862 -10.468 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.703 -10.289 2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.989 -10.641 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.518 -8.277 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.681 -8.343 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.757 -8.523 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.280 -12.705 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.487 -12.826 4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.228 -12.468 3.928 1.00 0.00 H new ATOM 561 N VAL A 37 -0.926 -9.791 6.699 1.00 0.00 N ATOM 562 CA VAL A 37 -0.320 -8.874 7.706 1.00 0.00 C ATOM 563 C VAL A 37 0.745 -8.004 7.035 1.00 0.00 C ATOM 564 O VAL A 37 1.274 -8.348 5.997 1.00 0.00 O ATOM 565 CB VAL A 37 0.307 -9.717 8.827 1.00 0.00 C ATOM 566 CG1 VAL A 37 -0.045 -11.188 8.604 1.00 0.00 C ATOM 567 CG2 VAL A 37 1.836 -9.565 8.833 1.00 0.00 C ATOM 0 H VAL A 37 -0.262 -10.247 6.073 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.085 -8.221 8.127 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.085 -9.372 9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.397 -11.792 9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.128 -11.309 8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.345 -11.513 7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.259 -10.171 9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.238 -9.898 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.097 -8.519 8.992 1.00 0.00 H new ATOM 577 N PRO A 38 1.062 -6.885 7.633 1.00 0.00 N ATOM 578 CA PRO A 38 2.090 -5.948 7.098 1.00 0.00 C ATOM 579 C PRO A 38 3.397 -6.673 6.772 1.00 0.00 C ATOM 580 O PRO A 38 3.868 -7.492 7.537 1.00 0.00 O ATOM 581 CB PRO A 38 2.308 -4.927 8.224 1.00 0.00 C ATOM 582 CG PRO A 38 1.527 -5.415 9.406 1.00 0.00 C ATOM 583 CD PRO A 38 0.477 -6.391 8.881 1.00 0.00 C ATOM 0 HA PRO A 38 1.765 -5.484 6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.367 -4.841 8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.970 -3.937 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.183 -5.906 10.125 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.053 -4.582 9.924 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.294 -7.201 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.479 -5.897 8.708 1.00 0.00 H new ATOM 591 N GLY A 39 3.986 -6.383 5.643 1.00 0.00 N ATOM 592 CA GLY A 39 5.262 -7.059 5.268 1.00 0.00 C ATOM 593 C GLY A 39 6.290 -6.016 4.843 1.00 0.00 C ATOM 594 O GLY A 39 7.482 -6.247 4.878 1.00 0.00 O ATOM 0 H GLY A 39 3.638 -5.706 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.641 -7.635 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.086 -7.763 4.455 1.00 0.00 H new ATOM 598 N ASP A 40 5.832 -4.872 4.430 1.00 0.00 N ATOM 599 CA ASP A 40 6.761 -3.807 3.986 1.00 0.00 C ATOM 600 C ASP A 40 6.225 -2.449 4.429 1.00 0.00 C ATOM 601 O ASP A 40 5.204 -2.352 5.082 1.00 0.00 O ATOM 602 CB ASP A 40 6.874 -3.840 2.470 1.00 0.00 C ATOM 603 CG ASP A 40 8.122 -4.628 2.071 1.00 0.00 C ATOM 604 OD1 ASP A 40 9.158 -4.403 2.675 1.00 0.00 O ATOM 605 OD2 ASP A 40 8.021 -5.442 1.169 1.00 0.00 O ATOM 0 H ASP A 40 4.843 -4.628 4.381 1.00 0.00 H new ATOM 0 HA ASP A 40 7.744 -3.969 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.986 -4.301 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.930 -2.825 2.076 1.00 0.00 H new ATOM 610 N GLN A 41 6.913 -1.400 4.086 1.00 0.00 N ATOM 611 CA GLN A 41 6.458 -0.042 4.491 1.00 0.00 C ATOM 612 C GLN A 41 7.166 1.014 3.644 1.00 0.00 C ATOM 613 O GLN A 41 7.941 0.704 2.762 1.00 0.00 O ATOM 614 CB GLN A 41 6.815 0.186 5.957 1.00 0.00 C ATOM 615 CG GLN A 41 8.170 -0.470 6.256 1.00 0.00 C ATOM 616 CD GLN A 41 9.208 0.012 5.233 1.00 0.00 C ATOM 617 OE1 GLN A 41 9.912 0.972 5.473 1.00 0.00 O ATOM 618 NE2 GLN A 41 9.332 -0.622 4.095 1.00 0.00 N ATOM 0 H GLN A 41 7.775 -1.423 3.540 1.00 0.00 H new ATOM 0 HA GLN A 41 5.380 0.035 4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.860 1.254 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.044 -0.236 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.494 -0.217 7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.078 -1.555 6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.741 -1.428 3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.020 -0.310 3.410 1.00 0.00 H new ATOM 627 N GLY A 42 6.920 2.260 3.918 1.00 0.00 N ATOM 628 CA GLY A 42 7.594 3.331 3.134 1.00 0.00 C ATOM 629 C GLY A 42 7.620 4.625 3.939 1.00 0.00 C ATOM 630 O GLY A 42 6.671 4.977 4.612 1.00 0.00 O ATOM 0 H GLY A 42 6.285 2.585 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.611 3.027 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.069 3.489 2.192 1.00 0.00 H new ATOM 634 N ALA A 43 8.699 5.349 3.841 1.00 0.00 N ATOM 635 CA ALA A 43 8.809 6.648 4.554 1.00 0.00 C ATOM 636 C ALA A 43 8.651 7.738 3.501 1.00 0.00 C ATOM 637 O ALA A 43 8.532 8.911 3.794 1.00 0.00 O ATOM 638 CB ALA A 43 10.182 6.762 5.221 1.00 0.00 C ATOM 0 H ALA A 43 9.518 5.092 3.290 1.00 0.00 H new ATOM 0 HA ALA A 43 8.049 6.737 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.255 7.717 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.308 5.948 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.962 6.702 4.462 1.00 0.00 H new ATOM 644 N ASP A 44 8.645 7.325 2.262 1.00 0.00 N ATOM 645 CA ASP A 44 8.489 8.274 1.131 1.00 0.00 C ATOM 646 C ASP A 44 7.966 7.489 -0.074 1.00 0.00 C ATOM 647 O ASP A 44 7.833 6.282 -0.025 1.00 0.00 O ATOM 648 CB ASP A 44 9.845 8.900 0.792 1.00 0.00 C ATOM 649 CG ASP A 44 10.174 9.989 1.814 1.00 0.00 C ATOM 650 OD1 ASP A 44 9.268 10.712 2.193 1.00 0.00 O ATOM 651 OD2 ASP A 44 11.327 10.081 2.202 1.00 0.00 O ATOM 0 H ASP A 44 8.744 6.348 1.985 1.00 0.00 H new ATOM 0 HA ASP A 44 7.794 9.071 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.622 8.135 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.821 9.324 -0.212 1.00 0.00 H new ATOM 656 N TYR A 45 7.660 8.153 -1.150 1.00 0.00 N ATOM 657 CA TYR A 45 7.135 7.429 -2.342 1.00 0.00 C ATOM 658 C TYR A 45 8.265 6.656 -3.035 1.00 0.00 C ATOM 659 O TYR A 45 8.023 5.863 -3.919 1.00 0.00 O ATOM 660 CB TYR A 45 6.532 8.435 -3.320 1.00 0.00 C ATOM 661 CG TYR A 45 5.682 7.707 -4.334 1.00 0.00 C ATOM 662 CD1 TYR A 45 4.486 7.099 -3.935 1.00 0.00 C ATOM 663 CD2 TYR A 45 6.089 7.641 -5.672 1.00 0.00 C ATOM 664 CE1 TYR A 45 3.697 6.423 -4.874 1.00 0.00 C ATOM 665 CE2 TYR A 45 5.301 6.965 -6.611 1.00 0.00 C ATOM 666 CZ TYR A 45 4.104 6.357 -6.212 1.00 0.00 C ATOM 667 OH TYR A 45 3.327 5.691 -7.137 1.00 0.00 O ATOM 0 H TYR A 45 7.750 9.163 -1.258 1.00 0.00 H new ATOM 0 HA TYR A 45 6.370 6.722 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.928 9.165 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.325 8.988 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.172 7.151 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.011 8.112 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.775 5.953 -4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.616 6.912 -7.643 1.00 0.00 H new ATOM 0 HH TYR A 45 3.406 6.132 -8.009 1.00 0.00 H new ATOM 677 N GLN A 46 9.493 6.893 -2.656 1.00 0.00 N ATOM 678 CA GLN A 46 10.635 6.185 -3.309 1.00 0.00 C ATOM 679 C GLN A 46 10.726 4.731 -2.814 1.00 0.00 C ATOM 680 O GLN A 46 11.160 3.837 -3.528 1.00 0.00 O ATOM 681 CB GLN A 46 11.927 6.925 -2.969 1.00 0.00 C ATOM 682 CG GLN A 46 11.783 8.400 -3.356 1.00 0.00 C ATOM 683 CD GLN A 46 11.430 8.511 -4.841 1.00 0.00 C ATOM 684 OE1 GLN A 46 12.294 8.421 -5.691 1.00 0.00 O ATOM 685 NE2 GLN A 46 10.186 8.703 -5.194 1.00 0.00 N ATOM 0 H GLN A 46 9.756 7.548 -1.920 1.00 0.00 H new ATOM 0 HA GLN A 46 10.480 6.170 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.141 6.836 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.767 6.478 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.007 8.871 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.712 8.932 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.460 8.779 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.942 8.777 -6.182 1.00 0.00 H new ATOM 694 N HIS A 47 10.324 4.476 -1.606 1.00 0.00 N ATOM 695 CA HIS A 47 10.399 3.084 -1.089 1.00 0.00 C ATOM 696 C HIS A 47 9.224 2.261 -1.625 1.00 0.00 C ATOM 697 O HIS A 47 9.133 1.080 -1.374 1.00 0.00 O ATOM 698 CB HIS A 47 10.345 3.099 0.440 1.00 0.00 C ATOM 699 CG HIS A 47 11.562 2.410 0.992 1.00 0.00 C ATOM 700 ND1 HIS A 47 12.328 2.960 2.010 1.00 0.00 N ATOM 701 CD2 HIS A 47 12.159 1.213 0.679 1.00 0.00 C ATOM 702 CE1 HIS A 47 13.333 2.103 2.271 1.00 0.00 C ATOM 703 NE2 HIS A 47 13.274 1.025 1.488 1.00 0.00 N ATOM 0 H HIS A 47 9.948 5.166 -0.955 1.00 0.00 H new ATOM 0 HA HIS A 47 11.336 2.635 -1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.300 4.126 0.803 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.441 2.598 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.815 0.524 -0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 47 14.092 2.268 3.021 1.00 0.00 H new ATOM 0 HE2 HIS A 47 13.913 0.230 1.484 1.00 0.00 H new ATOM 712 N PHE A 48 8.318 2.864 -2.351 1.00 0.00 N ATOM 713 CA PHE A 48 7.155 2.086 -2.869 1.00 0.00 C ATOM 714 C PHE A 48 7.541 1.353 -4.159 1.00 0.00 C ATOM 715 O PHE A 48 7.338 0.162 -4.284 1.00 0.00 O ATOM 716 CB PHE A 48 5.981 3.036 -3.133 1.00 0.00 C ATOM 717 CG PHE A 48 5.475 2.846 -4.542 1.00 0.00 C ATOM 718 CD1 PHE A 48 4.867 1.640 -4.914 1.00 0.00 C ATOM 719 CD2 PHE A 48 5.616 3.875 -5.478 1.00 0.00 C ATOM 720 CE1 PHE A 48 4.405 1.466 -6.222 1.00 0.00 C ATOM 721 CE2 PHE A 48 5.155 3.699 -6.787 1.00 0.00 C ATOM 722 CZ PHE A 48 4.549 2.495 -7.159 1.00 0.00 C ATOM 0 H PHE A 48 8.333 3.852 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 48 6.859 1.346 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.179 2.844 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.297 4.069 -2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.755 0.845 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.081 4.806 -5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.936 0.536 -6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.267 4.493 -7.510 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.192 2.359 -8.169 1.00 0.00 H new ATOM 732 N ILE A 49 8.097 2.044 -5.121 1.00 0.00 N ATOM 733 CA ILE A 49 8.485 1.355 -6.387 1.00 0.00 C ATOM 734 C ILE A 49 9.553 0.308 -6.080 1.00 0.00 C ATOM 735 O ILE A 49 9.593 -0.737 -6.698 1.00 0.00 O ATOM 736 CB ILE A 49 9.026 2.357 -7.412 1.00 0.00 C ATOM 737 CG1 ILE A 49 8.909 3.769 -6.855 1.00 0.00 C ATOM 738 CG2 ILE A 49 8.216 2.252 -8.706 1.00 0.00 C ATOM 739 CD1 ILE A 49 9.892 3.930 -5.711 1.00 0.00 C ATOM 0 H ILE A 49 8.297 3.044 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 49 7.602 0.876 -6.810 1.00 0.00 H new ATOM 0 HB ILE A 49 10.073 2.133 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.117 4.500 -7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.893 3.954 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.601 2.965 -9.435 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.300 1.242 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.169 2.474 -8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.816 4.939 -5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.662 3.206 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.905 3.761 -6.075 1.00 0.00 H new ATOM 751 N GLN A 50 10.404 0.547 -5.110 1.00 0.00 N ATOM 752 CA GLN A 50 11.418 -0.489 -4.785 1.00 0.00 C ATOM 753 C GLN A 50 10.673 -1.616 -4.085 1.00 0.00 C ATOM 754 O GLN A 50 11.113 -2.746 -4.016 1.00 0.00 O ATOM 755 CB GLN A 50 12.482 0.094 -3.853 1.00 0.00 C ATOM 756 CG GLN A 50 13.576 -0.948 -3.611 1.00 0.00 C ATOM 757 CD GLN A 50 13.656 -1.268 -2.117 1.00 0.00 C ATOM 758 OE1 GLN A 50 14.377 -0.623 -1.383 1.00 0.00 O ATOM 759 NE2 GLN A 50 12.938 -2.244 -1.632 1.00 0.00 N ATOM 0 H GLN A 50 10.437 1.395 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 50 11.922 -0.846 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.913 0.993 -4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.029 0.388 -2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.361 -1.855 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.536 -0.572 -3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.332 -2.786 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.983 -2.464 -0.637 1.00 0.00 H new ATOM 768 N GLN A 51 9.537 -1.276 -3.552 1.00 0.00 N ATOM 769 CA GLN A 51 8.702 -2.256 -2.820 1.00 0.00 C ATOM 770 C GLN A 51 7.622 -2.831 -3.737 1.00 0.00 C ATOM 771 O GLN A 51 7.002 -3.828 -3.425 1.00 0.00 O ATOM 772 CB GLN A 51 8.047 -1.521 -1.660 1.00 0.00 C ATOM 773 CG GLN A 51 9.075 -1.344 -0.559 1.00 0.00 C ATOM 774 CD GLN A 51 9.183 -2.668 0.172 1.00 0.00 C ATOM 775 OE1 GLN A 51 9.841 -2.777 1.188 1.00 0.00 O ATOM 776 NE2 GLN A 51 8.552 -3.691 -0.326 1.00 0.00 N ATOM 0 H GLN A 51 9.145 -0.335 -3.596 1.00 0.00 H new ATOM 0 HA GLN A 51 9.318 -3.082 -2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.674 -0.551 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.190 -2.084 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.040 -1.055 -0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.773 -0.551 0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.003 -3.586 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.606 -4.598 0.137 1.00 0.00 H new ATOM 785 N CYS A 52 7.385 -2.206 -4.856 1.00 0.00 N ATOM 786 CA CYS A 52 6.333 -2.710 -5.786 1.00 0.00 C ATOM 787 C CYS A 52 6.957 -3.106 -7.126 1.00 0.00 C ATOM 788 O CYS A 52 6.519 -2.674 -8.174 1.00 0.00 O ATOM 789 CB CYS A 52 5.302 -1.606 -6.013 1.00 0.00 C ATOM 790 SG CYS A 52 4.077 -1.640 -4.680 1.00 0.00 S ATOM 0 H CYS A 52 7.874 -1.367 -5.168 1.00 0.00 H new ATOM 0 HA CYS A 52 5.855 -3.586 -5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.795 -0.634 -6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.811 -1.745 -6.976 1.00 0.00 H new ATOM 0 HG CYS A 52 3.558 -0.457 -4.538 1.00 0.00 H new ATOM 796 N THR A 53 7.971 -3.927 -7.111 1.00 0.00 N ATOM 797 CA THR A 53 8.603 -4.342 -8.394 1.00 0.00 C ATOM 798 C THR A 53 7.668 -5.307 -9.129 1.00 0.00 C ATOM 799 O THR A 53 6.713 -5.808 -8.568 1.00 0.00 O ATOM 800 CB THR A 53 9.934 -5.041 -8.106 1.00 0.00 C ATOM 801 OG1 THR A 53 9.737 -6.038 -7.113 1.00 0.00 O ATOM 802 CG2 THR A 53 10.953 -4.015 -7.608 1.00 0.00 C ATOM 0 H THR A 53 8.387 -4.327 -6.270 1.00 0.00 H new ATOM 0 HA THR A 53 8.783 -3.463 -9.014 1.00 0.00 H new ATOM 0 HB THR A 53 10.307 -5.506 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.588 -6.488 -6.928 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.901 -4.513 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.102 -3.251 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.583 -3.549 -6.695 1.00 0.00 H new ATOM 810 N ASP A 54 7.933 -5.568 -10.379 1.00 0.00 N ATOM 811 CA ASP A 54 7.056 -6.497 -11.149 1.00 0.00 C ATOM 812 C ASP A 54 7.249 -7.929 -10.644 1.00 0.00 C ATOM 813 O ASP A 54 6.809 -8.877 -11.265 1.00 0.00 O ATOM 814 CB ASP A 54 7.423 -6.428 -12.633 1.00 0.00 C ATOM 815 CG ASP A 54 6.936 -5.101 -13.219 1.00 0.00 C ATOM 816 OD1 ASP A 54 5.885 -4.643 -12.801 1.00 0.00 O ATOM 817 OD2 ASP A 54 7.622 -4.566 -14.074 1.00 0.00 O ATOM 0 H ASP A 54 8.718 -5.179 -10.901 1.00 0.00 H new ATOM 0 HA ASP A 54 6.015 -6.205 -11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.502 -6.518 -12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.971 -7.262 -13.169 1.00 0.00 H new ATOM 822 N ASP A 55 7.905 -8.093 -9.525 1.00 0.00 N ATOM 823 CA ASP A 55 8.129 -9.465 -8.980 1.00 0.00 C ATOM 824 C ASP A 55 7.503 -9.577 -7.587 1.00 0.00 C ATOM 825 O ASP A 55 7.908 -10.389 -6.780 1.00 0.00 O ATOM 826 CB ASP A 55 9.632 -9.733 -8.883 1.00 0.00 C ATOM 827 CG ASP A 55 10.327 -9.206 -10.140 1.00 0.00 C ATOM 828 OD1 ASP A 55 9.827 -9.466 -11.222 1.00 0.00 O ATOM 829 OD2 ASP A 55 11.349 -8.553 -9.999 1.00 0.00 O ATOM 0 H ASP A 55 8.296 -7.336 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 55 7.667 -10.196 -9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.042 -9.248 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.815 -10.802 -8.774 1.00 0.00 H new ATOM 834 N VAL A 56 6.517 -8.772 -7.299 1.00 0.00 N ATOM 835 CA VAL A 56 5.869 -8.842 -5.958 1.00 0.00 C ATOM 836 C VAL A 56 4.389 -8.475 -6.084 1.00 0.00 C ATOM 837 O VAL A 56 3.965 -7.897 -7.066 1.00 0.00 O ATOM 838 CB VAL A 56 6.561 -7.866 -5.003 1.00 0.00 C ATOM 839 CG1 VAL A 56 6.149 -6.434 -5.345 1.00 0.00 C ATOM 840 CG2 VAL A 56 6.149 -8.185 -3.565 1.00 0.00 C ATOM 0 H VAL A 56 6.133 -8.071 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 56 5.957 -9.855 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 56 7.642 -7.965 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.643 -5.741 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.442 -6.206 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.068 -6.333 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.641 -7.491 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.068 -8.086 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.444 -9.205 -3.320 1.00 0.00 H new ATOM 850 N ARG A 57 3.598 -8.809 -5.100 1.00 0.00 N ATOM 851 CA ARG A 57 2.146 -8.480 -5.170 1.00 0.00 C ATOM 852 C ARG A 57 1.652 -7.977 -3.810 1.00 0.00 C ATOM 853 O ARG A 57 1.820 -8.629 -2.798 1.00 0.00 O ATOM 854 CB ARG A 57 1.354 -9.725 -5.575 1.00 0.00 C ATOM 855 CG ARG A 57 1.638 -10.863 -4.590 1.00 0.00 C ATOM 856 CD ARG A 57 0.355 -11.223 -3.835 1.00 0.00 C ATOM 857 NE ARG A 57 -0.009 -10.118 -2.904 1.00 0.00 N ATOM 858 CZ ARG A 57 -1.218 -10.050 -2.414 1.00 0.00 C ATOM 859 NH1 ARG A 57 -2.117 -10.922 -2.778 1.00 0.00 N ATOM 860 NH2 ARG A 57 -1.528 -9.108 -1.568 1.00 0.00 N ATOM 0 H ARG A 57 3.894 -9.294 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 57 1.997 -7.697 -5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.287 -9.501 -5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.628 -10.029 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.014 -11.735 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.414 -10.563 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.457 -11.398 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.498 -12.149 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 57 0.685 -9.415 -2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.876 -11.656 -3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.061 -10.870 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.826 -8.423 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.472 -9.056 -1.186 1.00 0.00 H new ATOM 874 N LEU A 58 1.040 -6.822 -3.777 1.00 0.00 N ATOM 875 CA LEU A 58 0.535 -6.288 -2.481 1.00 0.00 C ATOM 876 C LEU A 58 -0.293 -5.021 -2.723 1.00 0.00 C ATOM 877 O LEU A 58 -0.367 -4.516 -3.823 1.00 0.00 O ATOM 878 CB LEU A 58 1.722 -5.978 -1.558 1.00 0.00 C ATOM 879 CG LEU A 58 2.716 -5.027 -2.243 1.00 0.00 C ATOM 880 CD1 LEU A 58 2.108 -3.628 -2.390 1.00 0.00 C ATOM 881 CD2 LEU A 58 3.983 -4.932 -1.390 1.00 0.00 C ATOM 0 H LEU A 58 0.869 -6.229 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.102 -7.034 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.361 -5.528 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.228 -6.904 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 58 2.951 -5.416 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.826 -2.968 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.202 -3.687 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.863 -3.233 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.694 -4.259 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.729 -4.548 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.430 -5.921 -1.291 1.00 0.00 H new ATOM 893 N PHE A 59 -0.911 -4.500 -1.695 1.00 0.00 N ATOM 894 CA PHE A 59 -1.725 -3.260 -1.859 1.00 0.00 C ATOM 895 C PHE A 59 -0.976 -2.092 -1.216 1.00 0.00 C ATOM 896 O PHE A 59 -0.186 -2.283 -0.316 1.00 0.00 O ATOM 897 CB PHE A 59 -3.082 -3.435 -1.174 1.00 0.00 C ATOM 898 CG PHE A 59 -3.529 -4.873 -1.284 1.00 0.00 C ATOM 899 CD1 PHE A 59 -3.284 -5.598 -2.457 1.00 0.00 C ATOM 900 CD2 PHE A 59 -4.191 -5.480 -0.212 1.00 0.00 C ATOM 901 CE1 PHE A 59 -3.702 -6.931 -2.554 1.00 0.00 C ATOM 902 CE2 PHE A 59 -4.609 -6.812 -0.309 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.365 -7.538 -1.481 1.00 0.00 C ATOM 0 H PHE A 59 -0.887 -4.880 -0.749 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.886 -3.063 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.010 -3.146 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.820 -2.779 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.773 -5.130 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.380 -4.920 0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.513 -7.491 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.120 -7.280 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.688 -8.566 -1.557 1.00 0.00 H new ATOM 913 N ALA A 60 -1.220 -0.885 -1.658 1.00 0.00 N ATOM 914 CA ALA A 60 -0.514 0.286 -1.059 1.00 0.00 C ATOM 915 C ALA A 60 -1.522 1.410 -0.796 1.00 0.00 C ATOM 916 O ALA A 60 -2.574 1.465 -1.400 1.00 0.00 O ATOM 917 CB ALA A 60 0.562 0.784 -2.026 1.00 0.00 C ATOM 0 H ALA A 60 -1.876 -0.660 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.048 -0.013 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.077 1.639 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.280 -0.015 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.097 1.083 -2.965 1.00 0.00 H new ATOM 923 N PHE A 61 -1.209 2.304 0.103 1.00 0.00 N ATOM 924 CA PHE A 61 -2.148 3.421 0.409 1.00 0.00 C ATOM 925 C PHE A 61 -1.346 4.650 0.846 1.00 0.00 C ATOM 926 O PHE A 61 -0.975 4.771 1.994 1.00 0.00 O ATOM 927 CB PHE A 61 -3.074 2.979 1.541 1.00 0.00 C ATOM 928 CG PHE A 61 -3.946 4.123 1.991 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.061 4.492 1.235 1.00 0.00 C ATOM 930 CD2 PHE A 61 -3.647 4.802 3.179 1.00 0.00 C ATOM 931 CE1 PHE A 61 -5.879 5.541 1.667 1.00 0.00 C ATOM 932 CE2 PHE A 61 -4.464 5.853 3.608 1.00 0.00 C ATOM 933 CZ PHE A 61 -5.581 6.222 2.852 1.00 0.00 C ATOM 0 H PHE A 61 -0.342 2.309 0.640 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.736 3.674 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.697 2.150 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.482 2.614 2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.291 3.968 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.786 4.514 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.743 5.826 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.232 6.379 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.213 7.033 3.183 1.00 0.00 H new ATOM 943 N VAL A 62 -1.077 5.561 -0.054 1.00 0.00 N ATOM 944 CA VAL A 62 -0.295 6.779 0.323 1.00 0.00 C ATOM 945 C VAL A 62 -1.185 8.013 0.186 1.00 0.00 C ATOM 946 O VAL A 62 -2.166 8.006 -0.532 1.00 0.00 O ATOM 947 CB VAL A 62 0.938 6.902 -0.595 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.926 5.773 -1.626 1.00 0.00 C ATOM 949 CG2 VAL A 62 0.944 8.242 -1.324 1.00 0.00 C ATOM 0 H VAL A 62 -1.364 5.515 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 62 0.042 6.698 1.356 1.00 0.00 H new ATOM 0 HB VAL A 62 1.832 6.835 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.798 5.862 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.952 4.812 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.019 5.839 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.824 8.304 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.044 8.329 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.968 9.052 -0.595 1.00 0.00 H new ATOM 959 N ARG A 63 -0.849 9.075 0.861 1.00 0.00 N ATOM 960 CA ARG A 63 -1.671 10.314 0.761 1.00 0.00 C ATOM 961 C ARG A 63 -1.229 11.113 -0.466 1.00 0.00 C ATOM 962 O ARG A 63 -0.061 11.404 -0.641 1.00 0.00 O ATOM 963 CB ARG A 63 -1.466 11.164 2.018 1.00 0.00 C ATOM 964 CG ARG A 63 -2.622 12.156 2.157 1.00 0.00 C ATOM 965 CD ARG A 63 -2.476 12.928 3.470 1.00 0.00 C ATOM 966 NE ARG A 63 -1.326 13.870 3.366 1.00 0.00 N ATOM 967 CZ ARG A 63 -1.188 14.831 4.237 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.058 14.968 5.200 1.00 0.00 N ATOM 969 NH2 ARG A 63 -0.182 15.656 4.146 1.00 0.00 N ATOM 0 H ARG A 63 -0.040 9.140 1.479 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.724 10.048 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.414 10.524 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.519 11.699 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.625 12.848 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.574 11.626 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.392 13.478 3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.319 12.235 4.296 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.646 13.763 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.846 14.324 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.950 15.719 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.498 15.550 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.075 16.407 4.828 1.00 0.00 H new ATOM 983 N PHE A 64 -2.151 11.467 -1.320 1.00 0.00 N ATOM 984 CA PHE A 64 -1.783 12.244 -2.538 1.00 0.00 C ATOM 985 C PHE A 64 -2.187 13.708 -2.359 1.00 0.00 C ATOM 986 O PHE A 64 -3.075 14.029 -1.595 1.00 0.00 O ATOM 987 CB PHE A 64 -2.512 11.664 -3.750 1.00 0.00 C ATOM 988 CG PHE A 64 -1.974 10.287 -4.053 1.00 0.00 C ATOM 989 CD1 PHE A 64 -0.717 10.141 -4.651 1.00 0.00 C ATOM 990 CD2 PHE A 64 -2.735 9.153 -3.738 1.00 0.00 C ATOM 991 CE1 PHE A 64 -0.218 8.864 -4.932 1.00 0.00 C ATOM 992 CE2 PHE A 64 -2.236 7.876 -4.019 1.00 0.00 C ATOM 993 CZ PHE A 64 -0.978 7.731 -4.616 1.00 0.00 C ATOM 0 H PHE A 64 -3.144 11.252 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.706 12.182 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.583 11.612 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.379 12.316 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.131 11.015 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.706 9.265 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.753 8.752 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.822 7.002 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.594 6.745 -4.833 1.00 0.00 H new ATOM 1003 N THR A 65 -1.544 14.597 -3.064 1.00 0.00 N ATOM 1004 CA THR A 65 -1.894 16.041 -2.943 1.00 0.00 C ATOM 1005 C THR A 65 -3.144 16.325 -3.778 1.00 0.00 C ATOM 1006 O THR A 65 -3.328 15.770 -4.844 1.00 0.00 O ATOM 1007 CB THR A 65 -0.732 16.895 -3.455 1.00 0.00 C ATOM 1008 OG1 THR A 65 0.404 16.691 -2.625 1.00 0.00 O ATOM 1009 CG2 THR A 65 -1.129 18.371 -3.425 1.00 0.00 C ATOM 0 H THR A 65 -0.791 14.386 -3.719 1.00 0.00 H new ATOM 0 HA THR A 65 -2.086 16.285 -1.898 1.00 0.00 H new ATOM 0 HB THR A 65 -0.492 16.607 -4.479 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.150 17.236 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.301 18.978 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.000 18.526 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.370 18.662 -2.403 1.00 0.00 H new ATOM 1017 N THR A 66 -4.001 17.188 -3.302 1.00 0.00 N ATOM 1018 CA THR A 66 -5.240 17.516 -4.063 1.00 0.00 C ATOM 1019 C THR A 66 -5.142 18.945 -4.600 1.00 0.00 C ATOM 1020 O THR A 66 -6.006 19.767 -4.366 1.00 0.00 O ATOM 1021 CB THR A 66 -6.453 17.402 -3.135 1.00 0.00 C ATOM 1022 OG1 THR A 66 -6.411 16.153 -2.458 1.00 0.00 O ATOM 1023 CG2 THR A 66 -7.741 17.498 -3.956 1.00 0.00 C ATOM 0 H THR A 66 -3.895 17.681 -2.416 1.00 0.00 H new ATOM 0 HA THR A 66 -5.352 16.821 -4.895 1.00 0.00 H new ATOM 0 HB THR A 66 -6.431 18.213 -2.407 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.280 15.978 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.602 17.417 -3.293 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.772 18.456 -4.474 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.768 16.689 -4.687 1.00 0.00 H new ATOM 1031 N GLY A 67 -4.098 19.248 -5.320 1.00 0.00 N ATOM 1032 CA GLY A 67 -3.947 20.625 -5.870 1.00 0.00 C ATOM 1033 C GLY A 67 -3.084 21.463 -4.925 1.00 0.00 C ATOM 1034 O GLY A 67 -3.535 21.914 -3.891 1.00 0.00 O ATOM 0 H GLY A 67 -3.343 18.602 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.488 20.585 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.926 21.088 -5.992 1.00 0.00 H new ATOM 1038 N ASP A 68 -1.843 21.675 -5.271 1.00 0.00 N ATOM 1039 CA ASP A 68 -0.951 22.482 -4.391 1.00 0.00 C ATOM 1040 C ASP A 68 -1.713 23.709 -3.886 1.00 0.00 C ATOM 1041 O ASP A 68 -1.724 24.748 -4.517 1.00 0.00 O ATOM 1042 CB ASP A 68 0.276 22.935 -5.186 1.00 0.00 C ATOM 1043 CG ASP A 68 1.532 22.291 -4.597 1.00 0.00 C ATOM 1044 OD1 ASP A 68 1.800 22.521 -3.429 1.00 0.00 O ATOM 1045 OD2 ASP A 68 2.205 21.578 -5.324 1.00 0.00 O ATOM 0 H ASP A 68 -1.409 21.324 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.630 21.877 -3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.168 22.654 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.362 24.021 -5.154 1.00 0.00 H new ATOM 1050 N ALA A 69 -2.351 23.599 -2.753 1.00 0.00 N ATOM 1051 CA ALA A 69 -3.111 24.759 -2.210 1.00 0.00 C ATOM 1052 C ALA A 69 -3.416 24.524 -0.729 1.00 0.00 C ATOM 1053 O ALA A 69 -4.095 25.305 -0.094 1.00 0.00 O ATOM 1054 CB ALA A 69 -4.424 24.913 -2.982 1.00 0.00 C ATOM 0 H ALA A 69 -2.379 22.756 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.515 25.665 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.982 25.762 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.208 25.081 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.018 24.006 -2.874 1.00 0.00 H new ATOM 1060 N MET A 70 -2.918 23.453 -0.174 1.00 0.00 N ATOM 1061 CA MET A 70 -3.182 23.170 1.265 1.00 0.00 C ATOM 1062 C MET A 70 -4.654 23.447 1.577 1.00 0.00 C ATOM 1063 O MET A 70 -4.977 24.215 2.461 1.00 0.00 O ATOM 1064 CB MET A 70 -2.299 24.072 2.132 1.00 0.00 C ATOM 1065 CG MET A 70 -2.128 23.442 3.515 1.00 0.00 C ATOM 1066 SD MET A 70 -1.167 24.557 4.570 1.00 0.00 S ATOM 1067 CE MET A 70 -0.286 23.282 5.504 1.00 0.00 C ATOM 0 H MET A 70 -2.341 22.763 -0.654 1.00 0.00 H new ATOM 0 HA MET A 70 -2.955 22.125 1.478 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.326 24.208 1.660 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.750 25.060 2.224 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.103 23.251 3.963 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.623 22.480 3.429 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.378 23.755 6.228 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.005 22.652 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.301 22.670 4.819 1.00 0.00 H new ATOM 1077 N SER A 71 -5.549 22.828 0.857 1.00 0.00 N ATOM 1078 CA SER A 71 -6.999 23.056 1.111 1.00 0.00 C ATOM 1079 C SER A 71 -7.395 22.401 2.436 1.00 0.00 C ATOM 1080 O SER A 71 -8.516 21.966 2.613 1.00 0.00 O ATOM 1081 CB SER A 71 -7.819 22.443 -0.025 1.00 0.00 C ATOM 1082 OG SER A 71 -8.340 21.189 0.396 1.00 0.00 O ATOM 0 H SER A 71 -5.338 22.174 0.103 1.00 0.00 H new ATOM 0 HA SER A 71 -7.194 24.127 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.632 23.113 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.196 22.312 -0.910 1.00 0.00 H new ATOM 0 HG SER A 71 -8.967 21.327 1.136 1.00 0.00 H new ATOM 1088 N LYS A 72 -6.486 22.327 3.369 1.00 0.00 N ATOM 1089 CA LYS A 72 -6.813 21.699 4.680 1.00 0.00 C ATOM 1090 C LYS A 72 -7.333 20.279 4.451 1.00 0.00 C ATOM 1091 O LYS A 72 -8.023 19.721 5.281 1.00 0.00 O ATOM 1092 CB LYS A 72 -7.887 22.529 5.385 1.00 0.00 C ATOM 1093 CG LYS A 72 -7.751 22.358 6.900 1.00 0.00 C ATOM 1094 CD LYS A 72 -9.126 22.498 7.555 1.00 0.00 C ATOM 1095 CE LYS A 72 -8.974 22.433 9.075 1.00 0.00 C ATOM 1096 NZ LYS A 72 -10.141 21.715 9.661 1.00 0.00 N ATOM 0 H LYS A 72 -5.531 22.674 3.280 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.917 21.660 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.784 23.580 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.878 22.212 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.325 21.381 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.067 23.106 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.585 23.443 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.788 21.703 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.049 21.920 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.908 23.440 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.038 21.671 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.017 22.223 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.184 20.750 9.276 1.00 0.00 H new ATOM 1110 N ARG A 73 -7.010 19.690 3.333 1.00 0.00 N ATOM 1111 CA ARG A 73 -7.488 18.306 3.056 1.00 0.00 C ATOM 1112 C ARG A 73 -6.835 17.785 1.774 1.00 0.00 C ATOM 1113 O ARG A 73 -6.899 18.412 0.735 1.00 0.00 O ATOM 1114 CB ARG A 73 -9.009 18.317 2.886 1.00 0.00 C ATOM 1115 CG ARG A 73 -9.363 18.843 1.493 1.00 0.00 C ATOM 1116 CD ARG A 73 -10.842 19.230 1.453 1.00 0.00 C ATOM 1117 NE ARG A 73 -11.679 17.998 1.519 1.00 0.00 N ATOM 1118 CZ ARG A 73 -12.951 18.087 1.794 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -13.492 19.255 2.012 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -13.683 17.008 1.850 1.00 0.00 N ATOM 0 H ARG A 73 -6.436 20.107 2.600 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.219 17.656 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.408 17.311 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.467 18.945 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.744 19.707 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.155 18.081 0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.079 19.889 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.060 19.782 0.539 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.257 17.085 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.920 20.098 1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.487 19.324 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.260 16.096 1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.678 17.077 2.065 1.00 0.00 H new ATOM 1134 N SER A 74 -6.211 16.641 1.840 1.00 0.00 N ATOM 1135 CA SER A 74 -5.555 16.074 0.627 1.00 0.00 C ATOM 1136 C SER A 74 -6.403 14.923 0.084 1.00 0.00 C ATOM 1137 O SER A 74 -7.566 14.794 0.410 1.00 0.00 O ATOM 1138 CB SER A 74 -4.166 15.554 0.998 1.00 0.00 C ATOM 1139 OG SER A 74 -3.210 16.078 0.087 1.00 0.00 O ATOM 0 H SER A 74 -6.127 16.073 2.683 1.00 0.00 H new ATOM 0 HA SER A 74 -5.462 16.848 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.915 15.849 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.153 14.464 0.970 1.00 0.00 H new ATOM 0 HG SER A 74 -2.803 15.344 -0.419 1.00 0.00 H new ATOM 1145 N LYS A 75 -5.829 14.082 -0.737 1.00 0.00 N ATOM 1146 CA LYS A 75 -6.602 12.935 -1.297 1.00 0.00 C ATOM 1147 C LYS A 75 -6.051 11.627 -0.733 1.00 0.00 C ATOM 1148 O LYS A 75 -4.891 11.531 -0.381 1.00 0.00 O ATOM 1149 CB LYS A 75 -6.476 12.920 -2.820 1.00 0.00 C ATOM 1150 CG LYS A 75 -7.866 12.818 -3.457 1.00 0.00 C ATOM 1151 CD LYS A 75 -8.566 14.178 -3.399 1.00 0.00 C ATOM 1152 CE LYS A 75 -9.803 14.155 -4.298 1.00 0.00 C ATOM 1153 NZ LYS A 75 -10.314 12.760 -4.403 1.00 0.00 N ATOM 0 H LYS A 75 -4.858 14.141 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.651 13.042 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.976 13.826 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.860 12.078 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.778 12.488 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.462 12.070 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.854 14.407 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.883 14.964 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.575 14.807 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.554 14.538 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.272 12.771 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.685 12.205 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.342 12.329 -3.457 1.00 0.00 H new ATOM 1167 N PHE A 76 -6.872 10.621 -0.645 1.00 0.00 N ATOM 1168 CA PHE A 76 -6.401 9.315 -0.104 1.00 0.00 C ATOM 1169 C PHE A 76 -6.891 8.177 -1.004 1.00 0.00 C ATOM 1170 O PHE A 76 -8.063 8.072 -1.302 1.00 0.00 O ATOM 1171 CB PHE A 76 -6.953 9.122 1.307 1.00 0.00 C ATOM 1172 CG PHE A 76 -5.900 9.494 2.327 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -4.655 8.848 2.331 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -6.174 10.487 3.275 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -3.690 9.196 3.281 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -5.207 10.834 4.225 1.00 0.00 C ATOM 1177 CZ PHE A 76 -3.965 10.189 4.229 1.00 0.00 C ATOM 0 H PHE A 76 -7.853 10.645 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.311 9.307 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.841 9.738 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.259 8.085 1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.442 8.082 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.132 10.985 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.731 8.698 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.419 11.600 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.219 10.457 4.963 1.00 0.00 H new ATOM 1187 N ALA A 77 -5.998 7.339 -1.459 1.00 0.00 N ATOM 1188 CA ALA A 77 -6.427 6.231 -2.358 1.00 0.00 C ATOM 1189 C ALA A 77 -5.602 4.971 -2.098 1.00 0.00 C ATOM 1190 O ALA A 77 -4.509 5.022 -1.570 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.243 6.663 -3.813 1.00 0.00 C ATOM 0 H ALA A 77 -5.000 7.373 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.476 6.008 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.556 5.855 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.849 7.548 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.193 6.894 -3.994 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.121 3.840 -2.492 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.387 2.560 -2.305 1.00 0.00 C ATOM 1199 C LEU A 78 -5.009 2.021 -3.686 1.00 0.00 C ATOM 1200 O LEU A 78 -5.640 2.344 -4.673 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.290 1.555 -1.585 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.605 0.189 -1.533 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -5.848 -0.454 -0.167 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.181 -0.713 -2.628 1.00 0.00 C ATOM 0 H LEU A 78 -7.033 3.749 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.490 2.719 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.504 1.903 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.245 1.474 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.534 0.316 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.359 -1.428 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.439 0.186 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.919 -0.580 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.693 -1.687 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.252 -0.838 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.008 -0.257 -3.603 1.00 0.00 H new ATOM 1216 N ILE A 79 -3.991 1.211 -3.777 1.00 0.00 N ATOM 1217 CA ILE A 79 -3.591 0.672 -5.107 1.00 0.00 C ATOM 1218 C ILE A 79 -3.244 -0.810 -4.963 1.00 0.00 C ATOM 1219 O ILE A 79 -2.562 -1.208 -4.041 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.373 1.449 -5.618 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -2.827 2.792 -6.204 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -1.652 0.640 -6.699 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -2.068 3.931 -5.525 1.00 0.00 C ATOM 0 H ILE A 79 -3.420 0.900 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.410 0.781 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.690 1.625 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.646 2.811 -7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.900 2.919 -6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.788 1.200 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.321 -0.311 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.333 0.455 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.392 4.884 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.271 3.916 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.998 3.806 -5.693 1.00 0.00 H new ATOM 1235 N THR A 80 -3.706 -1.629 -5.867 1.00 0.00 N ATOM 1236 CA THR A 80 -3.398 -3.084 -5.778 1.00 0.00 C ATOM 1237 C THR A 80 -2.189 -3.400 -6.660 1.00 0.00 C ATOM 1238 O THR A 80 -2.210 -3.179 -7.855 1.00 0.00 O ATOM 1239 CB THR A 80 -4.606 -3.892 -6.261 1.00 0.00 C ATOM 1240 OG1 THR A 80 -5.770 -3.454 -5.574 1.00 0.00 O ATOM 1241 CG2 THR A 80 -4.374 -5.377 -5.981 1.00 0.00 C ATOM 0 H THR A 80 -4.283 -1.354 -6.662 1.00 0.00 H new ATOM 0 HA THR A 80 -3.175 -3.347 -4.744 1.00 0.00 H new ATOM 0 HB THR A 80 -4.738 -3.744 -7.333 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.545 -3.968 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.234 -5.951 -6.325 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.480 -5.711 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.242 -5.529 -4.910 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.131 -3.910 -6.088 1.00 0.00 N ATOM 1250 CA TRP A 81 0.068 -4.225 -6.914 1.00 0.00 C ATOM 1251 C TRP A 81 0.011 -5.679 -7.379 1.00 0.00 C ATOM 1252 O TRP A 81 0.146 -6.593 -6.594 1.00 0.00 O ATOM 1253 CB TRP A 81 1.342 -4.028 -6.087 1.00 0.00 C ATOM 1254 CG TRP A 81 2.533 -4.259 -6.961 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.451 -5.233 -6.773 1.00 0.00 C ATOM 1256 CD2 TRP A 81 2.945 -3.533 -8.157 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.397 -5.157 -7.779 1.00 0.00 N ATOM 1258 CE2 TRP A 81 4.131 -4.126 -8.654 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.414 -2.431 -8.852 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.764 -3.646 -9.800 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 3.050 -1.944 -10.005 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.222 -2.551 -10.479 1.00 0.00 C ATOM 0 H TRP A 81 -1.046 -4.120 -5.094 1.00 0.00 H new ATOM 0 HA TRP A 81 0.079 -3.558 -7.776 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.369 -3.020 -5.673 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.354 -4.719 -5.244 1.00 0.00 H new ATOM 0 HD1 TRP A 81 3.447 -5.953 -5.968 1.00 0.00 H new ATOM 0 HE1 TRP A 81 5.195 -5.787 -7.863 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.511 -1.957 -8.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.667 -4.117 -10.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.634 -1.097 -10.530 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.705 -2.173 -11.368 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.177 -5.899 -8.652 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.224 -7.296 -9.167 1.00 0.00 C ATOM 1275 C ILE A 82 1.065 -7.569 -9.947 1.00 0.00 C ATOM 1276 O ILE A 82 1.161 -7.289 -11.126 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.429 -7.467 -10.093 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.708 -7.076 -9.346 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -1.527 -8.929 -10.533 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -3.242 -8.286 -8.578 1.00 0.00 C ATOM 0 H ILE A 82 -0.300 -5.172 -9.357 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.316 -7.996 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.308 -6.828 -10.968 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.503 -6.257 -8.657 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.459 -6.719 -10.051 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.385 -9.054 -11.193 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.617 -9.211 -11.063 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.648 -9.565 -9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.152 -8.007 -8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.463 -9.092 -9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.492 -8.622 -7.862 1.00 0.00 H new ATOM 1292 N GLY A 83 2.061 -8.105 -9.295 1.00 0.00 N ATOM 1293 CA GLY A 83 3.346 -8.385 -9.994 1.00 0.00 C ATOM 1294 C GLY A 83 3.113 -9.386 -11.125 1.00 0.00 C ATOM 1295 O GLY A 83 2.267 -10.254 -11.036 1.00 0.00 O ATOM 0 H GLY A 83 2.039 -8.361 -8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.762 -7.460 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.075 -8.783 -9.288 1.00 0.00 H new ATOM 1299 N GLU A 84 3.858 -9.272 -12.190 1.00 0.00 N ATOM 1300 CA GLU A 84 3.682 -10.216 -13.329 1.00 0.00 C ATOM 1301 C GLU A 84 4.316 -11.565 -12.980 1.00 0.00 C ATOM 1302 O GLU A 84 4.084 -12.559 -13.638 1.00 0.00 O ATOM 1303 CB GLU A 84 4.357 -9.643 -14.576 1.00 0.00 C ATOM 1304 CG GLU A 84 3.766 -8.267 -14.891 1.00 0.00 C ATOM 1305 CD GLU A 84 2.997 -8.333 -16.212 1.00 0.00 C ATOM 1306 OE1 GLU A 84 2.270 -9.293 -16.405 1.00 0.00 O ATOM 1307 OE2 GLU A 84 3.148 -7.420 -17.007 1.00 0.00 O ATOM 0 H GLU A 84 4.582 -8.565 -12.321 1.00 0.00 H new ATOM 0 HA GLU A 84 2.618 -10.355 -13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.432 -9.560 -14.415 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.212 -10.315 -15.422 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.102 -7.952 -14.086 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.561 -7.524 -14.957 1.00 0.00 H new ATOM 1314 N ASP A 85 5.117 -11.607 -11.950 1.00 0.00 N ATOM 1315 CA ASP A 85 5.765 -12.892 -11.563 1.00 0.00 C ATOM 1316 C ASP A 85 4.965 -13.548 -10.435 1.00 0.00 C ATOM 1317 O ASP A 85 5.519 -14.146 -9.534 1.00 0.00 O ATOM 1318 CB ASP A 85 7.193 -12.619 -11.083 1.00 0.00 C ATOM 1319 CG ASP A 85 8.138 -13.669 -11.669 1.00 0.00 C ATOM 1320 OD1 ASP A 85 8.517 -13.520 -12.819 1.00 0.00 O ATOM 1321 OD2 ASP A 85 8.467 -14.604 -10.958 1.00 0.00 O ATOM 0 H ASP A 85 5.350 -10.808 -11.361 1.00 0.00 H new ATOM 0 HA ASP A 85 5.792 -13.559 -12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.506 -11.621 -11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.233 -12.645 -9.994 1.00 0.00 H new ATOM 1326 N VAL A 86 3.665 -13.438 -10.476 1.00 0.00 N ATOM 1327 CA VAL A 86 2.830 -14.053 -9.405 1.00 0.00 C ATOM 1328 C VAL A 86 2.201 -15.348 -9.923 1.00 0.00 C ATOM 1329 O VAL A 86 2.101 -15.570 -11.114 1.00 0.00 O ATOM 1330 CB VAL A 86 1.723 -13.077 -9.001 1.00 0.00 C ATOM 1331 CG1 VAL A 86 0.927 -13.663 -7.834 1.00 0.00 C ATOM 1332 CG2 VAL A 86 2.347 -11.747 -8.573 1.00 0.00 C ATOM 0 H VAL A 86 3.145 -12.949 -11.205 1.00 0.00 H new ATOM 0 HA VAL A 86 3.456 -14.275 -8.541 1.00 0.00 H new ATOM 0 HB VAL A 86 1.058 -12.912 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.138 -12.968 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.482 -14.611 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.592 -13.828 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.559 -11.051 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.012 -11.913 -7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.915 -11.328 -9.403 1.00 0.00 H new ATOM 1342 N SER A 87 1.772 -16.205 -9.036 1.00 0.00 N ATOM 1343 CA SER A 87 1.147 -17.484 -9.474 1.00 0.00 C ATOM 1344 C SER A 87 -0.367 -17.294 -9.595 1.00 0.00 C ATOM 1345 O SER A 87 -0.868 -16.190 -9.522 1.00 0.00 O ATOM 1346 CB SER A 87 1.444 -18.576 -8.445 1.00 0.00 C ATOM 1347 OG SER A 87 2.780 -19.031 -8.616 1.00 0.00 O ATOM 0 H SER A 87 1.828 -16.073 -8.026 1.00 0.00 H new ATOM 0 HA SER A 87 1.556 -17.777 -10.441 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.306 -18.188 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.747 -19.405 -8.566 1.00 0.00 H new ATOM 0 HG SER A 87 2.974 -19.730 -7.957 1.00 0.00 H new ATOM 1353 N GLY A 88 -1.099 -18.358 -9.780 1.00 0.00 N ATOM 1354 CA GLY A 88 -2.579 -18.231 -9.907 1.00 0.00 C ATOM 1355 C GLY A 88 -3.213 -18.189 -8.515 1.00 0.00 C ATOM 1356 O GLY A 88 -4.343 -17.773 -8.349 1.00 0.00 O ATOM 0 H GLY A 88 -0.737 -19.309 -9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.830 -17.325 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.979 -19.072 -10.474 1.00 0.00 H new ATOM 1360 N LEU A 89 -2.498 -18.619 -7.512 1.00 0.00 N ATOM 1361 CA LEU A 89 -3.063 -18.606 -6.132 1.00 0.00 C ATOM 1362 C LEU A 89 -3.625 -17.216 -5.823 1.00 0.00 C ATOM 1363 O LEU A 89 -4.820 -17.028 -5.721 1.00 0.00 O ATOM 1364 CB LEU A 89 -1.961 -18.946 -5.128 1.00 0.00 C ATOM 1365 CG LEU A 89 -1.748 -20.460 -5.096 1.00 0.00 C ATOM 1366 CD1 LEU A 89 -0.291 -20.764 -4.741 1.00 0.00 C ATOM 1367 CD2 LEU A 89 -2.668 -21.081 -4.041 1.00 0.00 C ATOM 0 H LEU A 89 -1.547 -18.979 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.862 -19.344 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.034 -18.444 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.234 -18.586 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.979 -20.880 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.140 -21.843 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.366 -20.321 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.060 -20.345 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.517 -22.160 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.436 -20.660 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.707 -20.865 -4.291 1.00 0.00 H new ATOM 1379 N GLN A 90 -2.770 -16.242 -5.673 1.00 0.00 N ATOM 1380 CA GLN A 90 -3.253 -14.865 -5.369 1.00 0.00 C ATOM 1381 C GLN A 90 -4.442 -14.535 -6.274 1.00 0.00 C ATOM 1382 O GLN A 90 -5.351 -13.830 -5.884 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.124 -13.864 -5.624 1.00 0.00 C ATOM 1384 CG GLN A 90 -1.094 -13.945 -4.493 1.00 0.00 C ATOM 1385 CD GLN A 90 -0.991 -15.387 -3.990 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -0.188 -16.157 -4.477 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -1.777 -15.787 -3.028 1.00 0.00 N ATOM 0 H GLN A 90 -1.757 -16.340 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.562 -14.806 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.646 -14.077 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.529 -12.854 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.122 -13.604 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.384 -13.285 -3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.452 -15.141 -2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.717 -16.746 -2.686 1.00 0.00 H new ATOM 1396 N ARG A 91 -4.442 -15.030 -7.480 1.00 0.00 N ATOM 1397 CA ARG A 91 -5.574 -14.729 -8.402 1.00 0.00 C ATOM 1398 C ARG A 91 -6.901 -14.901 -7.662 1.00 0.00 C ATOM 1399 O ARG A 91 -7.665 -13.968 -7.514 1.00 0.00 O ATOM 1400 CB ARG A 91 -5.529 -15.682 -9.598 1.00 0.00 C ATOM 1401 CG ARG A 91 -6.211 -15.024 -10.801 1.00 0.00 C ATOM 1402 CD ARG A 91 -5.159 -14.364 -11.698 1.00 0.00 C ATOM 1403 NE ARG A 91 -4.529 -13.223 -10.976 1.00 0.00 N ATOM 1404 CZ ARG A 91 -3.408 -12.716 -11.410 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -2.837 -13.211 -12.474 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -2.858 -11.714 -10.780 1.00 0.00 N ATOM 0 H ARG A 91 -3.711 -15.627 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.487 -13.701 -8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.496 -15.928 -9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.029 -16.618 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.769 -15.770 -11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.930 -14.279 -10.460 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.399 -15.093 -11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.622 -14.013 -12.620 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.974 -12.838 -10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.267 -13.994 -12.966 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.961 -12.815 -12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.305 -11.327 -9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.982 -11.318 -11.119 1.00 0.00 H new ATOM 1420 N ALA A 92 -7.184 -16.087 -7.196 1.00 0.00 N ATOM 1421 CA ALA A 92 -8.466 -16.312 -6.469 1.00 0.00 C ATOM 1422 C ALA A 92 -8.339 -15.789 -5.036 1.00 0.00 C ATOM 1423 O ALA A 92 -9.274 -15.247 -4.478 1.00 0.00 O ATOM 1424 CB ALA A 92 -8.778 -17.809 -6.439 1.00 0.00 C ATOM 0 H ALA A 92 -6.585 -16.908 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.271 -15.782 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.715 -17.975 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.868 -18.182 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.973 -18.338 -5.929 1.00 0.00 H new ATOM 1430 N LYS A 93 -7.195 -15.951 -4.433 1.00 0.00 N ATOM 1431 CA LYS A 93 -7.011 -15.470 -3.034 1.00 0.00 C ATOM 1432 C LYS A 93 -7.126 -13.943 -2.990 1.00 0.00 C ATOM 1433 O LYS A 93 -8.039 -13.398 -2.403 1.00 0.00 O ATOM 1434 CB LYS A 93 -5.629 -15.892 -2.530 1.00 0.00 C ATOM 1435 CG LYS A 93 -5.786 -16.938 -1.425 1.00 0.00 C ATOM 1436 CD LYS A 93 -6.379 -18.219 -2.012 1.00 0.00 C ATOM 1437 CE LYS A 93 -5.500 -19.411 -1.630 1.00 0.00 C ATOM 1438 NZ LYS A 93 -5.417 -19.513 -0.146 1.00 0.00 N ATOM 0 H LYS A 93 -6.377 -16.397 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.782 -15.906 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.040 -16.301 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.088 -15.025 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.818 -17.149 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.433 -16.554 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.393 -18.367 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.447 -18.137 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.914 -20.330 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.503 -19.291 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.292 -20.509 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.608 -18.956 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.293 -19.146 0.277 1.00 0.00 H new ATOM 1452 N THR A 94 -6.201 -13.249 -3.598 1.00 0.00 N ATOM 1453 CA THR A 94 -6.257 -11.757 -3.582 1.00 0.00 C ATOM 1454 C THR A 94 -7.686 -11.295 -3.872 1.00 0.00 C ATOM 1455 O THR A 94 -8.184 -10.366 -3.270 1.00 0.00 O ATOM 1456 CB THR A 94 -5.316 -11.203 -4.656 1.00 0.00 C ATOM 1457 OG1 THR A 94 -3.988 -11.628 -4.383 1.00 0.00 O ATOM 1458 CG2 THR A 94 -5.376 -9.675 -4.653 1.00 0.00 C ATOM 0 H THR A 94 -5.411 -13.649 -4.104 1.00 0.00 H new ATOM 0 HA THR A 94 -5.950 -11.392 -2.602 1.00 0.00 H new ATOM 0 HB THR A 94 -5.623 -11.573 -5.634 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.357 -11.074 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.706 -9.283 -5.418 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.395 -9.350 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.070 -9.301 -3.676 1.00 0.00 H new ATOM 1466 N GLY A 95 -8.344 -11.939 -4.793 1.00 0.00 N ATOM 1467 CA GLY A 95 -9.740 -11.544 -5.132 1.00 0.00 C ATOM 1468 C GLY A 95 -10.586 -11.458 -3.860 1.00 0.00 C ATOM 1469 O GLY A 95 -11.193 -10.449 -3.569 1.00 0.00 O ATOM 0 H GLY A 95 -7.975 -12.725 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.740 -10.582 -5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.175 -12.270 -5.819 1.00 0.00 H new ATOM 1473 N THR A 96 -10.662 -12.523 -3.116 1.00 0.00 N ATOM 1474 CA THR A 96 -11.495 -12.509 -1.883 1.00 0.00 C ATOM 1475 C THR A 96 -10.892 -11.577 -0.826 1.00 0.00 C ATOM 1476 O THR A 96 -11.588 -10.784 -0.222 1.00 0.00 O ATOM 1477 CB THR A 96 -11.580 -13.928 -1.316 1.00 0.00 C ATOM 1478 OG1 THR A 96 -10.268 -14.456 -1.171 1.00 0.00 O ATOM 1479 CG2 THR A 96 -12.385 -14.813 -2.269 1.00 0.00 C ATOM 0 H THR A 96 -10.184 -13.403 -3.308 1.00 0.00 H new ATOM 0 HA THR A 96 -12.490 -12.145 -2.140 1.00 0.00 H new ATOM 0 HB THR A 96 -12.073 -13.903 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.642 -13.930 -1.712 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.445 -15.823 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.390 -14.407 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.894 -14.840 -3.242 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.615 -11.682 -0.565 1.00 0.00 N ATOM 1488 CA ASP A 97 -8.999 -10.826 0.490 1.00 0.00 C ATOM 1489 C ASP A 97 -8.949 -9.365 0.050 1.00 0.00 C ATOM 1490 O ASP A 97 -9.280 -8.476 0.809 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.577 -11.314 0.771 1.00 0.00 C ATOM 1492 CG ASP A 97 -7.107 -10.765 2.119 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -7.218 -9.566 2.319 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -6.645 -11.553 2.928 1.00 0.00 O ATOM 0 H ASP A 97 -8.974 -12.321 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.609 -10.897 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.550 -12.404 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.905 -10.986 -0.022 1.00 0.00 H new ATOM 1499 N LYS A 98 -8.539 -9.096 -1.156 1.00 0.00 N ATOM 1500 CA LYS A 98 -8.481 -7.676 -1.592 1.00 0.00 C ATOM 1501 C LYS A 98 -9.861 -7.049 -1.396 1.00 0.00 C ATOM 1502 O LYS A 98 -9.994 -5.852 -1.237 1.00 0.00 O ATOM 1503 CB LYS A 98 -8.065 -7.601 -3.059 1.00 0.00 C ATOM 1504 CG LYS A 98 -9.210 -8.087 -3.944 1.00 0.00 C ATOM 1505 CD LYS A 98 -9.935 -6.888 -4.561 1.00 0.00 C ATOM 1506 CE LYS A 98 -8.986 -6.141 -5.501 1.00 0.00 C ATOM 1507 NZ LYS A 98 -9.610 -6.027 -6.850 1.00 0.00 N ATOM 0 H LYS A 98 -8.246 -9.785 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.746 -7.131 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.801 -6.576 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.178 -8.212 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.823 -8.734 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.908 -8.683 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.815 -7.225 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.286 -6.219 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.770 -5.149 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.036 -6.670 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.225 -5.195 -7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.401 -6.883 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.640 -5.923 -6.748 1.00 0.00 H new ATOM 1521 N THR A 99 -10.890 -7.854 -1.388 1.00 0.00 N ATOM 1522 CA THR A 99 -12.258 -7.307 -1.183 1.00 0.00 C ATOM 1523 C THR A 99 -12.364 -6.768 0.243 1.00 0.00 C ATOM 1524 O THR A 99 -12.786 -5.651 0.465 1.00 0.00 O ATOM 1525 CB THR A 99 -13.291 -8.417 -1.391 1.00 0.00 C ATOM 1526 OG1 THR A 99 -12.690 -9.497 -2.090 1.00 0.00 O ATOM 1527 CG2 THR A 99 -14.470 -7.875 -2.201 1.00 0.00 C ATOM 0 H THR A 99 -10.840 -8.865 -1.515 1.00 0.00 H new ATOM 0 HA THR A 99 -12.448 -6.506 -1.897 1.00 0.00 H new ATOM 0 HB THR A 99 -13.649 -8.766 -0.422 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.211 -9.154 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.205 -8.667 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.931 -7.047 -1.663 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.115 -7.524 -3.170 1.00 0.00 H new ATOM 1535 N LEU A 100 -11.980 -7.554 1.214 1.00 0.00 N ATOM 1536 CA LEU A 100 -12.055 -7.081 2.626 1.00 0.00 C ATOM 1537 C LEU A 100 -11.366 -5.719 2.746 1.00 0.00 C ATOM 1538 O LEU A 100 -11.945 -4.762 3.221 1.00 0.00 O ATOM 1539 CB LEU A 100 -11.357 -8.088 3.545 1.00 0.00 C ATOM 1540 CG LEU A 100 -12.298 -9.262 3.821 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -12.522 -10.056 2.535 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -11.676 -10.174 4.882 1.00 0.00 C ATOM 0 H LEU A 100 -11.619 -8.500 1.090 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.101 -6.988 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.438 -8.446 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.074 -7.607 4.481 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.254 -8.882 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.193 -10.891 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.966 -9.407 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.567 -10.436 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.345 -11.011 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.719 -10.552 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.520 -9.609 5.801 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.132 -5.623 2.328 1.00 0.00 N ATOM 1555 CA VAL A 101 -9.408 -4.324 2.430 1.00 0.00 C ATOM 1556 C VAL A 101 -10.275 -3.198 1.866 1.00 0.00 C ATOM 1557 O VAL A 101 -10.821 -2.396 2.597 1.00 0.00 O ATOM 1558 CB VAL A 101 -8.105 -4.404 1.635 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -7.290 -3.129 1.862 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.295 -5.614 2.104 1.00 0.00 C ATOM 0 H VAL A 101 -9.595 -6.388 1.920 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.189 -4.119 3.478 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.333 -4.507 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.361 -3.186 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.866 -2.265 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.062 -3.027 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.366 -5.672 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.067 -5.510 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.874 -6.524 1.944 1.00 0.00 H new ATOM 1570 N LYS A 102 -10.403 -3.126 0.571 1.00 0.00 N ATOM 1571 CA LYS A 102 -11.231 -2.046 -0.037 1.00 0.00 C ATOM 1572 C LYS A 102 -12.529 -1.882 0.758 1.00 0.00 C ATOM 1573 O LYS A 102 -12.912 -0.786 1.118 1.00 0.00 O ATOM 1574 CB LYS A 102 -11.565 -2.413 -1.485 1.00 0.00 C ATOM 1575 CG LYS A 102 -10.272 -2.711 -2.247 1.00 0.00 C ATOM 1576 CD LYS A 102 -10.565 -2.773 -3.747 1.00 0.00 C ATOM 1577 CE LYS A 102 -11.797 -3.648 -3.991 1.00 0.00 C ATOM 1578 NZ LYS A 102 -11.839 -4.056 -5.424 1.00 0.00 N ATOM 0 H LYS A 102 -9.970 -3.768 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.673 -1.110 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.222 -3.282 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.102 -1.594 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.531 -1.938 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.848 -3.657 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.736 -1.769 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.706 -3.180 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.763 -4.530 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.703 -3.100 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.376 -4.942 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.301 -3.311 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.870 -4.200 -5.772 1.00 0.00 H new ATOM 1592 N GLU A 103 -13.213 -2.960 1.028 1.00 0.00 N ATOM 1593 CA GLU A 103 -14.489 -2.864 1.792 1.00 0.00 C ATOM 1594 C GLU A 103 -14.241 -2.194 3.145 1.00 0.00 C ATOM 1595 O GLU A 103 -14.846 -1.192 3.471 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.054 -4.269 2.016 1.00 0.00 C ATOM 1597 CG GLU A 103 -15.930 -4.664 0.825 1.00 0.00 C ATOM 1598 CD GLU A 103 -16.256 -6.157 0.905 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -15.945 -6.758 1.920 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -16.813 -6.672 -0.051 1.00 0.00 O ATOM 0 H GLU A 103 -12.943 -3.904 0.752 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.202 -2.267 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.241 -4.985 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.639 -4.295 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -16.850 -4.079 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.414 -4.443 -0.109 1.00 0.00 H new ATOM 1607 N VAL A 104 -13.364 -2.743 3.941 1.00 0.00 N ATOM 1608 CA VAL A 104 -13.090 -2.137 5.276 1.00 0.00 C ATOM 1609 C VAL A 104 -12.232 -0.882 5.112 1.00 0.00 C ATOM 1610 O VAL A 104 -11.328 -0.635 5.886 1.00 0.00 O ATOM 1611 CB VAL A 104 -12.347 -3.147 6.153 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -12.030 -2.511 7.507 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -13.227 -4.381 6.366 1.00 0.00 C ATOM 0 H VAL A 104 -12.826 -3.583 3.726 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.036 -1.868 5.746 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.419 -3.440 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.501 -3.230 8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.405 -1.631 7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.958 -2.218 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.699 -5.101 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.154 -4.086 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.456 -4.836 5.402 1.00 0.00 H new ATOM 1623 N VAL A 105 -12.503 -0.084 4.115 1.00 0.00 N ATOM 1624 CA VAL A 105 -11.696 1.153 3.917 1.00 0.00 C ATOM 1625 C VAL A 105 -12.614 2.318 3.541 1.00 0.00 C ATOM 1626 O VAL A 105 -13.206 2.342 2.481 1.00 0.00 O ATOM 1627 CB VAL A 105 -10.667 0.922 2.806 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -10.383 2.240 2.081 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -9.370 0.395 3.423 1.00 0.00 C ATOM 0 H VAL A 105 -13.245 -0.234 3.432 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.176 1.396 4.844 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.060 0.196 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.651 2.071 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.306 2.621 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.990 2.968 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.634 0.229 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.983 1.125 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.568 -0.545 3.939 1.00 0.00 H new ATOM 1639 N GLN A 106 -12.725 3.288 4.409 1.00 0.00 N ATOM 1640 CA GLN A 106 -13.590 4.467 4.121 1.00 0.00 C ATOM 1641 C GLN A 106 -12.742 5.735 4.242 1.00 0.00 C ATOM 1642 O GLN A 106 -12.992 6.728 3.590 1.00 0.00 O ATOM 1643 CB GLN A 106 -14.739 4.521 5.132 1.00 0.00 C ATOM 1644 CG GLN A 106 -15.247 3.103 5.402 1.00 0.00 C ATOM 1645 CD GLN A 106 -14.656 2.591 6.717 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -15.010 3.061 7.779 1.00 0.00 O ATOM 1647 NE2 GLN A 106 -13.762 1.641 6.689 1.00 0.00 N ATOM 0 H GLN A 106 -12.250 3.313 5.311 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.004 4.389 3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.400 4.980 6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -15.548 5.142 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -16.336 3.099 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -14.965 2.442 4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.465 1.246 5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -13.360 1.293 7.560 1.00 0.00 H new ATOM 1656 N ASN A 107 -11.750 5.700 5.090 1.00 0.00 N ATOM 1657 CA ASN A 107 -10.871 6.891 5.287 1.00 0.00 C ATOM 1658 C ASN A 107 -10.162 7.251 3.972 1.00 0.00 C ATOM 1659 O ASN A 107 -9.028 7.688 3.971 1.00 0.00 O ATOM 1660 CB ASN A 107 -9.824 6.576 6.358 1.00 0.00 C ATOM 1661 CG ASN A 107 -10.412 6.844 7.744 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -11.615 6.878 7.912 1.00 0.00 O ATOM 1663 ND2 ASN A 107 -9.607 7.038 8.754 1.00 0.00 N ATOM 0 H ASN A 107 -11.508 4.890 5.661 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.483 7.736 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.511 5.535 6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.936 7.189 6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.988 7.218 9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.597 7.010 8.614 1.00 0.00 H new ATOM 1670 N PHE A 108 -10.819 7.080 2.857 1.00 0.00 N ATOM 1671 CA PHE A 108 -10.182 7.420 1.554 1.00 0.00 C ATOM 1672 C PHE A 108 -11.244 7.862 0.549 1.00 0.00 C ATOM 1673 O PHE A 108 -12.415 7.945 0.861 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.418 6.211 1.001 1.00 0.00 C ATOM 1675 CG PHE A 108 -10.355 5.232 0.317 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -11.690 5.095 0.729 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -9.872 4.450 -0.740 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -12.532 4.181 0.083 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -10.715 3.537 -1.383 1.00 0.00 C ATOM 1680 CZ PHE A 108 -12.045 3.402 -0.972 1.00 0.00 C ATOM 0 H PHE A 108 -11.771 6.719 2.793 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.480 8.238 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.662 6.549 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.892 5.708 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.068 5.694 1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.845 4.552 -1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.559 4.077 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -10.338 2.936 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 108 -12.695 2.697 -1.469 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.839 8.156 -0.655 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.816 8.605 -1.683 1.00 0.00 C ATOM 1692 C ALA A 109 -12.289 7.408 -2.511 1.00 0.00 C ATOM 1693 O ALA A 109 -13.455 7.068 -2.516 1.00 0.00 O ATOM 1694 CB ALA A 109 -11.145 9.627 -2.603 1.00 0.00 C ATOM 0 H ALA A 109 -9.871 8.104 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.675 9.060 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.857 9.959 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.814 10.483 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.286 9.168 -3.092 1.00 0.00 H new ATOM 1700 N LYS A 110 -11.395 6.770 -3.217 1.00 0.00 N ATOM 1701 CA LYS A 110 -11.800 5.601 -4.047 1.00 0.00 C ATOM 1702 C LYS A 110 -10.654 4.588 -4.101 1.00 0.00 C ATOM 1703 O LYS A 110 -9.568 4.837 -3.617 1.00 0.00 O ATOM 1704 CB LYS A 110 -12.127 6.078 -5.465 1.00 0.00 C ATOM 1705 CG LYS A 110 -12.562 4.888 -6.322 1.00 0.00 C ATOM 1706 CD LYS A 110 -13.403 5.387 -7.500 1.00 0.00 C ATOM 1707 CE LYS A 110 -12.570 6.341 -8.358 1.00 0.00 C ATOM 1708 NZ LYS A 110 -12.423 7.645 -7.651 1.00 0.00 N ATOM 0 H LYS A 110 -10.404 7.008 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.678 5.128 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -12.920 6.825 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -11.254 6.558 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -11.687 4.351 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.139 4.185 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -13.742 4.543 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -14.295 5.896 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.589 5.909 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -13.051 6.491 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.591 8.423 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -13.114 7.699 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.461 7.723 -7.263 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.887 3.445 -4.689 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.813 2.415 -4.779 1.00 0.00 C ATOM 1724 C GLU A 111 -9.262 2.387 -6.204 1.00 0.00 C ATOM 1725 O GLU A 111 -9.931 2.774 -7.142 1.00 0.00 O ATOM 1726 CB GLU A 111 -10.391 1.042 -4.429 1.00 0.00 C ATOM 1727 CG GLU A 111 -11.514 0.696 -5.410 1.00 0.00 C ATOM 1728 CD GLU A 111 -11.052 -0.428 -6.339 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -9.995 -0.285 -6.930 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -11.764 -1.414 -6.442 1.00 0.00 O ATOM 0 H GLU A 111 -11.777 3.180 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.012 2.659 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.609 0.284 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.774 1.046 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.406 0.388 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.786 1.576 -5.993 1.00 0.00 H new ATOM 1737 N PHE A 112 -8.045 1.944 -6.376 1.00 0.00 N ATOM 1738 CA PHE A 112 -7.457 1.906 -7.746 1.00 0.00 C ATOM 1739 C PHE A 112 -6.740 0.573 -7.973 1.00 0.00 C ATOM 1740 O PHE A 112 -6.230 -0.034 -7.052 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.457 3.056 -7.892 1.00 0.00 C ATOM 1742 CG PHE A 112 -7.193 4.313 -8.288 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.878 4.368 -9.508 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -7.193 5.422 -7.434 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -8.563 5.534 -9.874 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -7.878 6.587 -7.799 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.563 6.642 -9.019 1.00 0.00 C ATOM 0 H PHE A 112 -7.435 1.608 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.252 2.009 -8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.926 3.213 -6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.708 2.808 -8.644 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.878 3.512 -10.167 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.664 5.379 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -9.091 5.578 -10.815 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.878 7.443 -7.140 1.00 0.00 H new ATOM 0 HZ PHE A 112 -9.092 7.541 -9.301 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.692 0.124 -9.199 1.00 0.00 N ATOM 1758 CA VAL A 113 -6.001 -1.160 -9.511 1.00 0.00 C ATOM 1759 C VAL A 113 -4.813 -0.861 -10.426 1.00 0.00 C ATOM 1760 O VAL A 113 -4.857 0.054 -11.222 1.00 0.00 O ATOM 1761 CB VAL A 113 -6.972 -2.106 -10.219 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -7.135 -1.673 -11.677 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -6.418 -3.532 -10.171 1.00 0.00 C ATOM 0 H VAL A 113 -7.105 0.596 -10.003 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.654 -1.633 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.940 -2.073 -9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.827 -2.347 -12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.527 -0.657 -11.713 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.167 -1.706 -12.177 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.109 -4.208 -10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.450 -3.563 -10.671 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.300 -3.842 -9.133 1.00 0.00 H new ATOM 1773 N ILE A 114 -3.749 -1.609 -10.314 1.00 0.00 N ATOM 1774 CA ILE A 114 -2.564 -1.334 -11.178 1.00 0.00 C ATOM 1775 C ILE A 114 -1.962 -2.645 -11.690 1.00 0.00 C ATOM 1776 O ILE A 114 -2.122 -3.694 -11.098 1.00 0.00 O ATOM 1777 CB ILE A 114 -1.520 -0.577 -10.357 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -2.038 0.842 -10.064 1.00 0.00 C ATOM 1779 CG2 ILE A 114 -0.194 -0.511 -11.122 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -2.224 1.640 -11.363 1.00 0.00 C ATOM 0 H ILE A 114 -3.648 -2.392 -9.668 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.873 -0.736 -12.035 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.349 -1.100 -9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.986 0.784 -9.530 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.336 1.361 -9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.542 0.030 -10.528 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.166 -1.522 -11.313 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.346 0.005 -12.070 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.591 2.639 -11.127 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.269 1.717 -11.882 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.945 1.131 -12.003 1.00 0.00 H new ATOM 1792 N SER A 115 -1.257 -2.577 -12.787 1.00 0.00 N ATOM 1793 CA SER A 115 -0.620 -3.799 -13.352 1.00 0.00 C ATOM 1794 C SER A 115 0.768 -3.432 -13.889 1.00 0.00 C ATOM 1795 O SER A 115 1.443 -4.238 -14.496 1.00 0.00 O ATOM 1796 CB SER A 115 -1.481 -4.344 -14.492 1.00 0.00 C ATOM 1797 OG SER A 115 -0.637 -4.808 -15.538 1.00 0.00 O ATOM 0 H SER A 115 -1.095 -1.722 -13.318 1.00 0.00 H new ATOM 0 HA SER A 115 -0.528 -4.560 -12.577 1.00 0.00 H new ATOM 0 HB2 SER A 115 -2.112 -5.156 -14.131 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.147 -3.565 -14.865 1.00 0.00 H new ATOM 0 HG SER A 115 0.147 -5.253 -15.153 1.00 0.00 H new ATOM 1803 N ASP A 116 1.197 -2.217 -13.666 1.00 0.00 N ATOM 1804 CA ASP A 116 2.539 -1.795 -14.162 1.00 0.00 C ATOM 1805 C ASP A 116 3.116 -0.729 -13.225 1.00 0.00 C ATOM 1806 O ASP A 116 2.392 -0.035 -12.539 1.00 0.00 O ATOM 1807 CB ASP A 116 2.401 -1.217 -15.571 1.00 0.00 C ATOM 1808 CG ASP A 116 3.768 -0.736 -16.062 1.00 0.00 C ATOM 1809 OD1 ASP A 116 4.761 -1.122 -15.466 1.00 0.00 O ATOM 1810 OD2 ASP A 116 3.801 0.012 -17.026 1.00 0.00 O ATOM 0 H ASP A 116 0.676 -1.500 -13.162 1.00 0.00 H new ATOM 0 HA ASP A 116 3.207 -2.656 -14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.005 -1.973 -16.249 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.692 -0.389 -15.568 1.00 0.00 H new ATOM 1815 N ARG A 117 4.416 -0.596 -13.187 1.00 0.00 N ATOM 1816 CA ARG A 117 5.034 0.422 -12.286 1.00 0.00 C ATOM 1817 C ARG A 117 4.935 1.812 -12.919 1.00 0.00 C ATOM 1818 O ARG A 117 4.881 2.812 -12.230 1.00 0.00 O ATOM 1819 CB ARG A 117 6.509 0.080 -12.043 1.00 0.00 C ATOM 1820 CG ARG A 117 7.065 -0.720 -13.222 1.00 0.00 C ATOM 1821 CD ARG A 117 8.569 -0.907 -13.025 1.00 0.00 C ATOM 1822 NE ARG A 117 9.322 0.056 -13.890 1.00 0.00 N ATOM 1823 CZ ARG A 117 9.146 0.096 -15.184 1.00 0.00 C ATOM 1824 NH1 ARG A 117 8.377 -0.781 -15.771 1.00 0.00 N ATOM 1825 NH2 ARG A 117 9.763 0.999 -15.896 1.00 0.00 N ATOM 0 H ARG A 117 5.075 -1.146 -13.739 1.00 0.00 H new ATOM 0 HA ARG A 117 4.499 0.418 -11.336 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.085 0.996 -11.911 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.610 -0.496 -11.123 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.570 -1.689 -13.288 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.869 -0.198 -14.158 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.830 -0.749 -11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.852 -1.930 -13.273 1.00 0.00 H new ATOM 0 HE ARG A 117 9.989 0.696 -13.458 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.911 -1.501 -15.219 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.242 -0.746 -16.781 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.381 1.672 -15.442 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.627 1.032 -16.906 1.00 0.00 H new ATOM 1839 N LYS A 118 4.909 1.891 -14.221 1.00 0.00 N ATOM 1840 CA LYS A 118 4.812 3.222 -14.882 1.00 0.00 C ATOM 1841 C LYS A 118 3.387 3.755 -14.724 1.00 0.00 C ATOM 1842 O LYS A 118 3.118 4.919 -14.941 1.00 0.00 O ATOM 1843 CB LYS A 118 5.143 3.082 -16.369 1.00 0.00 C ATOM 1844 CG LYS A 118 6.659 3.143 -16.562 1.00 0.00 C ATOM 1845 CD LYS A 118 7.066 4.562 -16.967 1.00 0.00 C ATOM 1846 CE LYS A 118 8.591 4.656 -17.036 1.00 0.00 C ATOM 1847 NZ LYS A 118 8.981 5.656 -18.070 1.00 0.00 N ATOM 0 H LYS A 118 4.951 1.093 -14.854 1.00 0.00 H new ATOM 0 HA LYS A 118 5.518 3.913 -14.421 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.755 2.138 -16.752 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.661 3.878 -16.936 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.165 2.857 -15.640 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.968 2.432 -17.329 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.631 4.814 -17.934 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.679 5.282 -16.246 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.992 4.946 -16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.015 3.682 -17.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.018 5.720 -18.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.610 5.361 -18.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.588 6.586 -17.820 1.00 0.00 H new ATOM 1861 N GLU A 119 2.473 2.906 -14.349 1.00 0.00 N ATOM 1862 CA GLU A 119 1.062 3.350 -14.175 1.00 0.00 C ATOM 1863 C GLU A 119 0.865 3.906 -12.761 1.00 0.00 C ATOM 1864 O GLU A 119 -0.233 4.247 -12.373 1.00 0.00 O ATOM 1865 CB GLU A 119 0.127 2.161 -14.397 1.00 0.00 C ATOM 1866 CG GLU A 119 -0.087 1.946 -15.898 1.00 0.00 C ATOM 1867 CD GLU A 119 1.178 2.340 -16.662 1.00 0.00 C ATOM 1868 OE1 GLU A 119 2.032 1.487 -16.836 1.00 0.00 O ATOM 1869 OE2 GLU A 119 1.271 3.489 -17.062 1.00 0.00 O ATOM 0 H GLU A 119 2.643 1.919 -14.155 1.00 0.00 H new ATOM 0 HA GLU A 119 0.835 4.132 -14.900 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.552 1.263 -13.948 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.829 2.341 -13.906 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.331 0.902 -16.094 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.932 2.541 -16.243 1.00 0.00 H new ATOM 1876 N LEU A 120 1.917 3.997 -11.991 1.00 0.00 N ATOM 1877 CA LEU A 120 1.789 4.531 -10.604 1.00 0.00 C ATOM 1878 C LEU A 120 2.545 5.855 -10.491 1.00 0.00 C ATOM 1879 O LEU A 120 3.034 6.216 -9.439 1.00 0.00 O ATOM 1880 CB LEU A 120 2.366 3.518 -9.615 1.00 0.00 C ATOM 1881 CG LEU A 120 1.238 2.610 -9.128 1.00 0.00 C ATOM 1882 CD1 LEU A 120 1.815 1.342 -8.490 1.00 0.00 C ATOM 1883 CD2 LEU A 120 0.397 3.358 -8.093 1.00 0.00 C ATOM 0 H LEU A 120 2.861 3.724 -12.264 1.00 0.00 H new ATOM 0 HA LEU A 120 0.737 4.701 -10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.147 2.927 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.827 4.033 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 120 0.617 2.329 -9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.000 0.704 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.412 0.804 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.443 1.615 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.409 2.712 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.026 3.642 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.027 4.254 -8.547 1.00 0.00 H new ATOM 1895 N GLU A 121 2.639 6.582 -11.566 1.00 0.00 N ATOM 1896 CA GLU A 121 3.354 7.883 -11.526 1.00 0.00 C ATOM 1897 C GLU A 121 2.460 8.931 -10.858 1.00 0.00 C ATOM 1898 O GLU A 121 1.263 8.950 -11.049 1.00 0.00 O ATOM 1899 CB GLU A 121 3.673 8.317 -12.955 1.00 0.00 C ATOM 1900 CG GLU A 121 4.467 7.215 -13.659 1.00 0.00 C ATOM 1901 CD GLU A 121 5.921 7.660 -13.825 1.00 0.00 C ATOM 1902 OE1 GLU A 121 6.414 8.347 -12.946 1.00 0.00 O ATOM 1903 OE2 GLU A 121 6.517 7.308 -14.830 1.00 0.00 O ATOM 0 H GLU A 121 2.249 6.329 -12.474 1.00 0.00 H new ATOM 0 HA GLU A 121 4.279 7.783 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.750 8.519 -13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.247 9.244 -12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.422 6.293 -13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.028 7.001 -14.633 1.00 0.00 H new ATOM 1910 N GLU A 122 3.032 9.799 -10.071 1.00 0.00 N ATOM 1911 CA GLU A 122 2.209 10.838 -9.389 1.00 0.00 C ATOM 1912 C GLU A 122 1.159 11.387 -10.361 1.00 0.00 C ATOM 1913 O GLU A 122 -0.016 11.436 -10.056 1.00 0.00 O ATOM 1914 CB GLU A 122 3.113 11.984 -8.924 1.00 0.00 C ATOM 1915 CG GLU A 122 4.497 11.437 -8.569 1.00 0.00 C ATOM 1916 CD GLU A 122 5.086 12.250 -7.414 1.00 0.00 C ATOM 1917 OE1 GLU A 122 4.378 12.463 -6.444 1.00 0.00 O ATOM 1918 OE2 GLU A 122 6.235 12.645 -7.519 1.00 0.00 O ATOM 0 H GLU A 122 4.031 9.835 -9.870 1.00 0.00 H new ATOM 0 HA GLU A 122 1.710 10.391 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.198 12.734 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 122 2.673 12.478 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.423 10.386 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.154 11.489 -9.437 1.00 0.00 H new ATOM 1925 N ASP A 123 1.577 11.817 -11.519 1.00 0.00 N ATOM 1926 CA ASP A 123 0.609 12.384 -12.506 1.00 0.00 C ATOM 1927 C ASP A 123 -0.359 11.304 -13.004 1.00 0.00 C ATOM 1928 O ASP A 123 -1.341 11.601 -13.656 1.00 0.00 O ATOM 1929 CB ASP A 123 1.382 12.957 -13.696 1.00 0.00 C ATOM 1930 CG ASP A 123 0.911 14.386 -13.969 1.00 0.00 C ATOM 1931 OD1 ASP A 123 0.864 15.163 -13.030 1.00 0.00 O ATOM 1932 OD2 ASP A 123 0.606 14.680 -15.112 1.00 0.00 O ATOM 0 H ASP A 123 2.549 11.801 -11.827 1.00 0.00 H new ATOM 0 HA ASP A 123 0.032 13.169 -12.017 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.452 12.949 -13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.225 12.336 -14.578 1.00 0.00 H new ATOM 1937 N PHE A 124 -0.105 10.057 -12.710 1.00 0.00 N ATOM 1938 CA PHE A 124 -1.034 8.987 -13.180 1.00 0.00 C ATOM 1939 C PHE A 124 -2.158 8.819 -12.174 1.00 0.00 C ATOM 1940 O PHE A 124 -3.324 8.784 -12.512 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.290 7.658 -13.286 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.285 6.560 -13.582 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -2.053 6.018 -12.543 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.445 6.086 -14.890 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -2.977 5.005 -12.810 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.374 5.072 -15.156 1.00 0.00 C ATOM 1947 CZ PHE A 124 -3.139 4.532 -14.115 1.00 0.00 C ATOM 0 H PHE A 124 0.698 9.734 -12.170 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.430 9.271 -14.155 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.461 7.709 -14.075 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.238 7.447 -12.356 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -1.930 6.384 -11.534 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -0.853 6.502 -15.692 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -3.567 4.587 -12.007 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -2.500 4.707 -16.164 1.00 0.00 H new ATOM 0 HZ PHE A 124 -3.855 3.750 -14.321 1.00 0.00 H new ATOM 1957 N ILE A 125 -1.802 8.709 -10.933 1.00 0.00 N ATOM 1958 CA ILE A 125 -2.830 8.532 -9.872 1.00 0.00 C ATOM 1959 C ILE A 125 -3.511 9.875 -9.604 1.00 0.00 C ATOM 1960 O ILE A 125 -4.605 9.932 -9.080 1.00 0.00 O ATOM 1961 CB ILE A 125 -2.173 8.027 -8.582 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -1.188 6.888 -8.891 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -3.254 7.510 -7.629 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -1.954 5.571 -9.046 1.00 0.00 C ATOM 0 H ILE A 125 -0.838 8.734 -10.601 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.568 7.801 -10.204 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.630 8.851 -8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.637 7.109 -9.805 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.454 6.801 -8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.788 7.151 -6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.947 8.318 -7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.798 6.693 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.253 4.766 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.485 5.348 -8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.670 5.661 -9.863 1.00 0.00 H new ATOM 1976 N ARG A 126 -2.877 10.955 -9.966 1.00 0.00 N ATOM 1977 CA ARG A 126 -3.497 12.289 -9.739 1.00 0.00 C ATOM 1978 C ARG A 126 -4.635 12.485 -10.742 1.00 0.00 C ATOM 1979 O ARG A 126 -5.754 12.783 -10.376 1.00 0.00 O ATOM 1980 CB ARG A 126 -2.446 13.383 -9.936 1.00 0.00 C ATOM 1981 CG ARG A 126 -3.011 14.724 -9.468 1.00 0.00 C ATOM 1982 CD ARG A 126 -1.917 15.791 -9.535 1.00 0.00 C ATOM 1983 NE ARG A 126 -2.396 17.036 -8.871 1.00 0.00 N ATOM 1984 CZ ARG A 126 -1.546 17.969 -8.543 1.00 0.00 C ATOM 1985 NH1 ARG A 126 -0.275 17.813 -8.795 1.00 0.00 N ATOM 1986 NH2 ARG A 126 -1.967 19.058 -7.961 1.00 0.00 N ATOM 0 H ARG A 126 -1.958 10.971 -10.408 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.887 12.346 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.544 13.141 -9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.161 13.443 -10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.855 15.014 -10.094 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.386 14.636 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.012 15.430 -9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.658 15.997 -10.574 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.389 17.159 -8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.054 16.961 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.389 18.543 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.960 19.179 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.303 19.788 -7.704 1.00 0.00 H new ATOM 2000 N SER A 127 -4.357 12.317 -12.006 1.00 0.00 N ATOM 2001 CA SER A 127 -5.422 12.490 -13.033 1.00 0.00 C ATOM 2002 C SER A 127 -6.482 11.402 -12.851 1.00 0.00 C ATOM 2003 O SER A 127 -7.595 11.519 -13.325 1.00 0.00 O ATOM 2004 CB SER A 127 -4.809 12.375 -14.428 1.00 0.00 C ATOM 2005 OG SER A 127 -5.602 11.500 -15.220 1.00 0.00 O ATOM 0 H SER A 127 -3.438 12.067 -12.372 1.00 0.00 H new ATOM 0 HA SER A 127 -5.882 13.472 -12.919 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.754 13.358 -14.896 1.00 0.00 H new ATOM 0 HB3 SER A 127 -3.789 11.997 -14.359 1.00 0.00 H new ATOM 0 HG SER A 127 -5.212 11.426 -16.116 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.147 10.344 -12.163 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.137 9.252 -11.948 1.00 0.00 C ATOM 2013 C GLU A 128 -8.194 9.722 -10.953 1.00 0.00 C ATOM 2014 O GLU A 128 -9.374 9.503 -11.138 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.427 8.013 -11.400 1.00 0.00 C ATOM 2016 CG GLU A 128 -5.605 7.360 -12.512 1.00 0.00 C ATOM 2017 CD GLU A 128 -6.404 6.212 -13.131 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -6.761 5.304 -12.398 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -6.646 6.260 -14.326 1.00 0.00 O ATOM 0 H GLU A 128 -5.231 10.189 -11.741 1.00 0.00 H new ATOM 0 HA GLU A 128 -7.614 8.999 -12.895 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -5.778 8.291 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.158 7.305 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.356 8.097 -13.276 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -4.663 6.986 -12.111 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.785 10.375 -9.901 1.00 0.00 N ATOM 2027 CA LEU A 129 -8.778 10.862 -8.910 1.00 0.00 C ATOM 2028 C LEU A 129 -9.632 11.937 -9.574 1.00 0.00 C ATOM 2029 O LEU A 129 -10.822 12.029 -9.342 1.00 0.00 O ATOM 2030 CB LEU A 129 -8.051 11.448 -7.697 1.00 0.00 C ATOM 2031 CG LEU A 129 -7.289 10.335 -6.975 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -6.038 10.915 -6.313 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -8.190 9.714 -5.904 1.00 0.00 C ATOM 0 H LEU A 129 -6.811 10.590 -9.687 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.410 10.040 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.361 12.229 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.767 11.912 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.996 9.571 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.497 10.121 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.396 11.358 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.329 11.680 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.649 8.921 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.482 10.480 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.081 9.299 -6.374 1.00 0.00 H new ATOM 2045 N LYS A 130 -9.044 12.738 -10.417 1.00 0.00 N ATOM 2046 CA LYS A 130 -9.835 13.786 -11.112 1.00 0.00 C ATOM 2047 C LYS A 130 -11.003 13.113 -11.832 1.00 0.00 C ATOM 2048 O LYS A 130 -11.846 13.762 -12.418 1.00 0.00 O ATOM 2049 CB LYS A 130 -8.950 14.508 -12.130 1.00 0.00 C ATOM 2050 CG LYS A 130 -8.469 15.835 -11.538 1.00 0.00 C ATOM 2051 CD LYS A 130 -7.597 15.560 -10.311 1.00 0.00 C ATOM 2052 CE LYS A 130 -6.902 16.854 -9.880 1.00 0.00 C ATOM 2053 NZ LYS A 130 -5.950 17.285 -10.942 1.00 0.00 N ATOM 0 H LYS A 130 -8.052 12.711 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 130 -10.209 14.513 -10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -8.096 13.884 -12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -9.507 14.688 -13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.902 16.393 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -9.323 16.452 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.209 15.174 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.855 14.796 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -7.642 17.634 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -6.370 16.698 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -5.182 17.841 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -5.551 16.447 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.452 17.868 -11.642 1.00 0.00 H new ATOM 2067 N LYS A 131 -11.040 11.803 -11.794 1.00 0.00 N ATOM 2068 CA LYS A 131 -12.131 11.047 -12.466 1.00 0.00 C ATOM 2069 C LYS A 131 -12.097 11.332 -13.961 1.00 0.00 C ATOM 2070 O LYS A 131 -12.497 12.383 -14.420 1.00 0.00 O ATOM 2071 CB LYS A 131 -13.490 11.445 -11.876 1.00 0.00 C ATOM 2072 CG LYS A 131 -14.590 11.312 -12.934 1.00 0.00 C ATOM 2073 CD LYS A 131 -15.948 11.187 -12.241 1.00 0.00 C ATOM 2074 CE LYS A 131 -16.104 12.310 -11.215 1.00 0.00 C ATOM 2075 NZ LYS A 131 -17.518 12.367 -10.750 1.00 0.00 N ATOM 0 H LYS A 131 -10.349 11.222 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.985 9.979 -12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -13.722 10.812 -11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -13.449 12.471 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.584 12.181 -13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -14.406 10.438 -13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -16.750 11.239 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -16.029 10.217 -11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -15.439 12.139 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -15.817 13.264 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -17.623 13.131 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -18.143 12.550 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -17.776 11.460 -10.312 1.00 0.00 H new ATOM 2089 N ALA A 132 -11.616 10.396 -14.723 1.00 0.00 N ATOM 2090 CA ALA A 132 -11.553 10.599 -16.193 1.00 0.00 C ATOM 2091 C ALA A 132 -11.438 9.244 -16.894 1.00 0.00 C ATOM 2092 O ALA A 132 -10.839 9.127 -17.945 1.00 0.00 O ATOM 2093 CB ALA A 132 -10.337 11.461 -16.540 1.00 0.00 C ATOM 0 H ALA A 132 -11.263 9.498 -14.392 1.00 0.00 H new ATOM 0 HA ALA A 132 -12.460 11.102 -16.527 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -10.292 11.609 -17.619 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -10.423 12.428 -16.044 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -9.429 10.961 -16.204 1.00 0.00 H new ATOM 2099 N GLY A 133 -12.007 8.219 -16.321 1.00 0.00 N ATOM 2100 CA GLY A 133 -11.930 6.873 -16.956 1.00 0.00 C ATOM 2101 C GLY A 133 -13.264 6.147 -16.780 1.00 0.00 C ATOM 2102 O GLY A 133 -13.994 5.932 -17.727 1.00 0.00 O ATOM 0 H GLY A 133 -12.522 8.255 -15.441 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -11.695 6.972 -18.016 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -11.126 6.292 -16.505 1.00 0.00 H new ATOM 2106 N GLY A 134 -13.590 5.769 -15.574 1.00 0.00 N ATOM 2107 CA GLY A 134 -14.878 5.058 -15.339 1.00 0.00 C ATOM 2108 C GLY A 134 -14.761 3.612 -15.824 1.00 0.00 C ATOM 2109 O GLY A 134 -14.202 3.341 -16.868 1.00 0.00 O ATOM 0 H GLY A 134 -13.020 5.922 -14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -15.128 5.077 -14.278 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.686 5.565 -15.866 1.00 0.00 H new ATOM 2113 N ALA A 135 -15.283 2.680 -15.074 1.00 0.00 N ATOM 2114 CA ALA A 135 -15.201 1.253 -15.493 1.00 0.00 C ATOM 2115 C ALA A 135 -16.471 0.520 -15.058 1.00 0.00 C ATOM 2116 O ALA A 135 -16.444 -0.322 -14.182 1.00 0.00 O ATOM 2117 CB ALA A 135 -13.984 0.598 -14.837 1.00 0.00 C ATOM 0 H ALA A 135 -15.763 2.846 -14.189 1.00 0.00 H new ATOM 0 HA ALA A 135 -15.103 1.198 -16.577 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.924 -0.446 -15.143 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -13.079 1.120 -15.147 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -14.081 0.653 -13.753 1.00 0.00 H new ATOM 2123 N ASN A 136 -17.584 0.833 -15.661 1.00 0.00 N ATOM 2124 CA ASN A 136 -18.855 0.153 -15.281 1.00 0.00 C ATOM 2125 C ASN A 136 -19.015 0.185 -13.759 1.00 0.00 C ATOM 2126 O ASN A 136 -18.470 -0.636 -13.051 1.00 0.00 O ATOM 2127 CB ASN A 136 -18.819 -1.300 -15.760 1.00 0.00 C ATOM 2128 CG ASN A 136 -17.999 -1.394 -17.047 1.00 0.00 C ATOM 2129 OD1 ASN A 136 -17.450 -2.432 -17.357 1.00 0.00 O ATOM 2130 ND2 ASN A 136 -17.891 -0.345 -17.816 1.00 0.00 N ATOM 0 H ASN A 136 -17.669 1.530 -16.401 1.00 0.00 H new ATOM 0 HA ASN A 136 -19.696 0.668 -15.746 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -18.382 -1.937 -14.991 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -19.832 -1.661 -15.935 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -17.346 -0.397 -18.677 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -18.352 0.527 -17.556 1.00 0.00 H new ATOM 2137 N TYR A 137 -19.759 1.130 -13.253 1.00 0.00 N ATOM 2138 CA TYR A 137 -19.953 1.214 -11.777 1.00 0.00 C ATOM 2139 C TYR A 137 -21.403 1.600 -11.475 1.00 0.00 C ATOM 2140 O TYR A 137 -21.988 1.144 -10.512 1.00 0.00 O ATOM 2141 CB TYR A 137 -19.012 2.273 -11.199 1.00 0.00 C ATOM 2142 CG TYR A 137 -18.372 1.743 -9.939 1.00 0.00 C ATOM 2143 CD1 TYR A 137 -19.079 1.762 -8.732 1.00 0.00 C ATOM 2144 CD2 TYR A 137 -17.069 1.232 -9.979 1.00 0.00 C ATOM 2145 CE1 TYR A 137 -18.484 1.270 -7.564 1.00 0.00 C ATOM 2146 CE2 TYR A 137 -16.474 0.741 -8.811 1.00 0.00 C ATOM 2147 CZ TYR A 137 -17.181 0.760 -7.603 1.00 0.00 C ATOM 2148 OH TYR A 137 -16.595 0.275 -6.452 1.00 0.00 O ATOM 0 H TYR A 137 -20.240 1.847 -13.796 1.00 0.00 H new ATOM 0 HA TYR A 137 -19.733 0.247 -11.325 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -18.245 2.530 -11.929 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -19.565 3.187 -10.982 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -20.084 2.156 -8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -16.523 1.217 -10.911 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.031 1.284 -6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.469 0.347 -8.842 1.00 0.00 H new ATOM 0 HH TYR A 137 -15.690 -0.042 -6.654 1.00 0.00 H new ATOM 2158 N ASP A 138 -21.987 2.434 -12.290 1.00 0.00 N ATOM 2159 CA ASP A 138 -23.399 2.847 -12.048 1.00 0.00 C ATOM 2160 C ASP A 138 -24.121 3.003 -13.388 1.00 0.00 C ATOM 2161 O ASP A 138 -24.893 3.921 -13.584 1.00 0.00 O ATOM 2162 CB ASP A 138 -23.418 4.181 -11.299 1.00 0.00 C ATOM 2163 CG ASP A 138 -24.798 4.397 -10.675 1.00 0.00 C ATOM 2164 OD1 ASP A 138 -25.225 3.539 -9.920 1.00 0.00 O ATOM 2165 OD2 ASP A 138 -25.404 5.416 -10.963 1.00 0.00 O ATOM 0 H ASP A 138 -21.548 2.848 -13.113 1.00 0.00 H new ATOM 0 HA ASP A 138 -23.903 2.088 -11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -22.652 4.186 -10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -23.185 4.997 -11.983 1.00 0.00 H new ATOM 2170 N ALA A 139 -23.877 2.114 -14.311 1.00 0.00 N ATOM 2171 CA ALA A 139 -24.550 2.213 -15.637 1.00 0.00 C ATOM 2172 C ALA A 139 -24.732 0.811 -16.222 1.00 0.00 C ATOM 2173 O ALA A 139 -24.602 0.602 -17.412 1.00 0.00 O ATOM 2174 CB ALA A 139 -23.690 3.053 -16.584 1.00 0.00 C ATOM 0 H ALA A 139 -23.241 1.324 -14.205 1.00 0.00 H new ATOM 0 HA ALA A 139 -25.525 2.686 -15.516 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -24.182 3.126 -17.554 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -23.560 4.052 -16.168 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -22.715 2.581 -16.706 1.00 0.00 H new ATOM 2180 N GLN A 140 -25.032 -0.153 -15.394 1.00 0.00 N ATOM 2181 CA GLN A 140 -25.222 -1.541 -15.904 1.00 0.00 C ATOM 2182 C GLN A 140 -26.509 -1.609 -16.729 1.00 0.00 C ATOM 2183 O GLN A 140 -27.597 -1.677 -16.193 1.00 0.00 O ATOM 2184 CB GLN A 140 -25.321 -2.508 -14.723 1.00 0.00 C ATOM 2185 CG GLN A 140 -24.363 -2.063 -13.616 1.00 0.00 C ATOM 2186 CD GLN A 140 -23.832 -3.292 -12.876 1.00 0.00 C ATOM 2187 OE1 GLN A 140 -22.639 -3.440 -12.699 1.00 0.00 O ATOM 2188 NE2 GLN A 140 -24.673 -4.185 -12.432 1.00 0.00 N ATOM 0 H GLN A 140 -25.154 -0.040 -14.388 1.00 0.00 H new ATOM 0 HA GLN A 140 -24.374 -1.818 -16.530 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -26.343 -2.534 -14.345 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -25.075 -3.520 -15.046 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -23.535 -1.497 -14.043 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -24.877 -1.400 -12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -25.674 -4.061 -12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -24.329 -5.007 -11.936 1.00 0.00 H new ATOM 2197 N SER A 141 -26.394 -1.590 -18.029 1.00 0.00 N ATOM 2198 CA SER A 141 -27.612 -1.654 -18.885 1.00 0.00 C ATOM 2199 C SER A 141 -28.179 -3.073 -18.859 1.00 0.00 C ATOM 2200 O SER A 141 -29.288 -3.317 -19.293 1.00 0.00 O ATOM 2201 CB SER A 141 -27.244 -1.278 -20.322 1.00 0.00 C ATOM 2202 OG SER A 141 -25.937 -0.719 -20.340 1.00 0.00 O ATOM 0 H SER A 141 -25.510 -1.533 -18.535 1.00 0.00 H new ATOM 0 HA SER A 141 -28.360 -0.957 -18.507 1.00 0.00 H new ATOM 0 HB2 SER A 141 -27.284 -2.159 -20.963 1.00 0.00 H new ATOM 0 HB3 SER A 141 -27.964 -0.562 -20.719 1.00 0.00 H new ATOM 0 HG SER A 141 -25.697 -0.478 -21.259 1.00 0.00 H new ATOM 2208 N GLU A 142 -27.429 -4.014 -18.353 1.00 0.00 N ATOM 2209 CA GLU A 142 -27.928 -5.417 -18.300 1.00 0.00 C ATOM 2210 C GLU A 142 -27.128 -6.203 -17.259 1.00 0.00 C ATOM 2211 O GLU A 142 -25.930 -5.988 -17.176 1.00 0.00 O ATOM 2212 CB GLU A 142 -27.759 -6.071 -19.672 1.00 0.00 C ATOM 2213 CG GLU A 142 -28.284 -7.507 -19.623 1.00 0.00 C ATOM 2214 CD GLU A 142 -28.484 -8.028 -21.048 1.00 0.00 C ATOM 2215 OE1 GLU A 142 -27.868 -7.482 -21.948 1.00 0.00 O ATOM 2216 OE2 GLU A 142 -29.248 -8.964 -21.213 1.00 0.00 O ATOM 2217 OXT GLU A 142 -27.727 -7.006 -16.562 1.00 0.00 O ATOM 0 H GLU A 142 -26.493 -3.872 -17.974 1.00 0.00 H new ATOM 0 HA GLU A 142 -28.983 -5.417 -18.025 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -28.300 -5.501 -20.427 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -26.708 -6.067 -19.961 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -27.581 -8.144 -19.087 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -29.226 -7.542 -19.076 1.00 0.00 H new TER 2224 GLU A 142