USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1046 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 25 CYS SG : rot 62:sc= 0.414 USER MOD Set 1.2: A 131 TYR OH : rot -177:sc= 1.52 USER MOD Set 2.1: A 92 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.0064) USER MOD Set 2.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 71 THR OG1 : rot -172:sc= 0.344 USER MOD Set 3.2: A 80 SER OG : rot -83:sc= 0.351 USER MOD Set 4.1: A 52 CYS SG : rot 180:sc= 1.09 USER MOD Set 4.2: A 67 THR OG1 : rot 131:sc= 1.41 USER MOD Set 5.1: A 41 SER OG : rot -118:sc= 1.18 USER MOD Set 5.2: A 53 HIS : no HD1:sc= 0.588 K(o=1.8,f=-5.4!) USER MOD Set 6.1: A 30 ASN : amide:sc= -0.926 X(o=-0.71,f=-0.24) USER MOD Set 6.2: A 38 THR OG1 : rot 110:sc= 0.215 USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.513) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0128) USER MOD Single : A 4 SER OG : rot 36:sc= 0.15 USER MOD Single : A 8 HIS : no HE2:sc= 0.0695 K(o=0.1,f=-2) USER MOD Single : A 11 GLN : amide:sc= -0.324 K(o=-0.32,f=-5!) USER MOD Single : A 21 ASN : amide:sc= -0.338 K(o=-0.34,f=-1.3) USER MOD Single : A 33 SER OG : rot 170:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00852 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 MET CE :methyl 156:sc= -0.985 (180deg=-1.62) USER MOD Single : A 58 LYS NZ :NH3+ -111:sc= 1.04 (180deg=-0.669) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 77 THR OG1 : rot 125:sc= 0.161 USER MOD Single : A 83 MET CE :methyl -172:sc= 0 (180deg=-0.0137) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 88:sc= 1.05 USER MOD Single : A 103 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.33) USER MOD Single : A 110 THR OG1 : rot -30:sc= 0.0419 USER MOD Single : A 111 SER OG : rot -20:sc= 0.245 USER MOD Single : A 112 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0.029) USER MOD Single : A 113 THR OG1 : rot 180:sc=-0.00631 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0.783 K(o=0.78,f=-6.3!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 122 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.3) USER MOD Single : A 127 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.39) USER MOD Single : A 129 LYS NZ :NH3+ 175:sc= 1.33 (180deg=1.3) USER MOD Single : A 139 HIS : no HE2:sc= -0.168 K(o=-0.17,f=-4.9!) USER MOD Single : A 140 HIS : no HD1:sc= -0.0057 X(o=-0.0057,f=0) USER MOD Single : A 141 HIS : no HE2:sc= 0.0346 X(o=0.035,f=-0.35) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.381 17.471 4.086 1.00 0.00 N ATOM 2 CA MET A 1 5.769 16.699 5.190 1.00 0.00 C ATOM 3 C MET A 1 5.571 15.238 4.772 1.00 0.00 C ATOM 4 O MET A 1 4.950 14.973 3.754 1.00 0.00 O ATOM 5 CB MET A 1 4.404 17.325 5.590 1.00 0.00 C ATOM 6 CG MET A 1 3.686 16.613 6.750 1.00 0.00 C ATOM 7 SD MET A 1 2.127 17.414 7.199 1.00 0.00 S ATOM 8 CE MET A 1 1.642 16.487 8.660 1.00 0.00 C ATOM 0 H1 MET A 1 6.509 18.459 4.383 1.00 0.00 H new ATOM 0 H2 MET A 1 7.305 17.059 3.845 1.00 0.00 H new ATOM 0 H3 MET A 1 5.759 17.438 3.253 1.00 0.00 H new ATOM 0 HA MET A 1 6.439 16.731 6.049 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.564 18.367 5.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.749 17.322 4.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.491 15.578 6.471 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.343 16.591 7.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.555 16.420 8.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.065 15.484 8.612 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.011 16.994 9.552 1.00 0.00 H new ATOM 20 N LYS A 2 6.108 14.300 5.565 1.00 0.00 N ATOM 21 CA LYS A 2 5.833 12.864 5.394 1.00 0.00 C ATOM 22 C LYS A 2 4.960 12.381 6.561 1.00 0.00 C ATOM 23 O LYS A 2 5.276 12.625 7.727 1.00 0.00 O ATOM 24 CB LYS A 2 7.151 12.044 5.243 1.00 0.00 C ATOM 25 CG LYS A 2 8.121 12.011 6.466 1.00 0.00 C ATOM 26 CD LYS A 2 7.893 10.796 7.411 1.00 0.00 C ATOM 27 CE LYS A 2 8.911 10.730 8.562 1.00 0.00 C ATOM 28 NZ LYS A 2 8.860 11.932 9.436 1.00 0.00 N ATOM 0 H LYS A 2 6.740 14.511 6.337 1.00 0.00 H new ATOM 0 HA LYS A 2 5.282 12.703 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.882 11.016 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.699 12.442 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.149 11.990 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.003 12.932 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.887 10.850 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.950 9.875 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.720 9.840 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.915 10.627 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.516 11.809 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.135 12.772 8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.893 12.057 9.799 1.00 0.00 H new ATOM 42 N ILE A 3 3.824 11.770 6.231 1.00 0.00 N ATOM 43 CA ILE A 3 2.895 11.216 7.214 1.00 0.00 C ATOM 44 C ILE A 3 3.139 9.703 7.339 1.00 0.00 C ATOM 45 O ILE A 3 2.928 8.947 6.379 1.00 0.00 O ATOM 46 CB ILE A 3 1.408 11.496 6.790 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.171 13.035 6.581 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.414 10.902 7.824 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.197 13.396 6.030 1.00 0.00 C ATOM 0 H ILE A 3 3.520 11.644 5.266 1.00 0.00 H new ATOM 0 HA ILE A 3 3.065 11.694 8.179 1.00 0.00 H new ATOM 0 HB ILE A 3 1.224 10.999 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.309 13.543 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.934 13.418 5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.608 11.110 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.561 9.824 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.590 11.355 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.271 14.478 5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.335 12.921 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.969 13.049 6.717 1.00 0.00 H new ATOM 61 N SER A 4 3.631 9.282 8.510 1.00 0.00 N ATOM 62 CA SER A 4 3.831 7.872 8.838 1.00 0.00 C ATOM 63 C SER A 4 2.639 7.352 9.654 1.00 0.00 C ATOM 64 O SER A 4 2.331 7.868 10.732 1.00 0.00 O ATOM 65 CB SER A 4 5.155 7.708 9.605 1.00 0.00 C ATOM 66 OG SER A 4 5.211 8.552 10.748 1.00 0.00 O ATOM 0 H SER A 4 3.903 9.918 9.260 1.00 0.00 H new ATOM 0 HA SER A 4 3.891 7.282 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.270 6.669 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.990 7.937 8.943 1.00 0.00 H new ATOM 0 HG SER A 4 4.320 8.618 11.150 1.00 0.00 H new ATOM 72 N ILE A 5 1.963 6.348 9.096 1.00 0.00 N ATOM 73 CA ILE A 5 0.845 5.634 9.721 1.00 0.00 C ATOM 74 C ILE A 5 1.254 4.172 9.954 1.00 0.00 C ATOM 75 O ILE A 5 2.240 3.699 9.377 1.00 0.00 O ATOM 76 CB ILE A 5 -0.445 5.695 8.812 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.217 4.963 7.450 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.875 7.158 8.571 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.413 4.912 6.528 1.00 0.00 C ATOM 0 H ILE A 5 2.185 5.996 8.165 1.00 0.00 H new ATOM 0 HA ILE A 5 0.608 6.111 10.672 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.246 5.179 9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.602 5.455 6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.104 3.942 7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.765 7.177 7.943 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.095 7.635 9.526 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.069 7.697 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.145 4.383 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.232 4.390 7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.726 5.927 6.282 1.00 0.00 H new ATOM 91 N GLU A 6 0.490 3.458 10.792 1.00 0.00 N ATOM 92 CA GLU A 6 0.826 2.074 11.197 1.00 0.00 C ATOM 93 C GLU A 6 -0.394 1.130 11.144 1.00 0.00 C ATOM 94 O GLU A 6 -1.520 1.564 10.895 1.00 0.00 O ATOM 95 CB GLU A 6 1.438 2.080 12.623 1.00 0.00 C ATOM 96 CG GLU A 6 0.529 2.709 13.703 1.00 0.00 C ATOM 97 CD GLU A 6 1.020 2.452 15.131 1.00 0.00 C ATOM 98 OE1 GLU A 6 1.844 3.230 15.642 1.00 0.00 O ATOM 99 OE2 GLU A 6 0.613 1.440 15.732 1.00 0.00 O ATOM 0 H GLU A 6 -0.371 3.813 11.208 1.00 0.00 H new ATOM 0 HA GLU A 6 1.555 1.692 10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.668 1.054 12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.382 2.624 12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.467 3.784 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.480 2.311 13.596 1.00 0.00 H new ATOM 106 N ALA A 7 -0.130 -0.171 11.375 1.00 0.00 N ATOM 107 CA ALA A 7 -1.148 -1.232 11.436 1.00 0.00 C ATOM 108 C ALA A 7 -0.526 -2.496 12.051 1.00 0.00 C ATOM 109 O ALA A 7 0.477 -2.997 11.552 1.00 0.00 O ATOM 110 CB ALA A 7 -1.722 -1.529 10.035 1.00 0.00 C ATOM 0 H ALA A 7 0.817 -0.518 11.527 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.974 -0.897 12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.472 -2.317 10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.182 -0.627 9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.918 -1.854 9.374 1.00 0.00 H new ATOM 116 N HIS A 8 -1.116 -3.001 13.148 1.00 0.00 N ATOM 117 CA HIS A 8 -0.665 -4.237 13.807 1.00 0.00 C ATOM 118 C HIS A 8 -1.450 -5.410 13.212 1.00 0.00 C ATOM 119 O HIS A 8 -2.621 -5.597 13.547 1.00 0.00 O ATOM 120 CB HIS A 8 -0.890 -4.169 15.335 1.00 0.00 C ATOM 121 CG HIS A 8 -0.105 -3.092 16.035 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.065 -3.339 16.706 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.349 -1.772 16.198 1.00 0.00 C ATOM 124 CE1 HIS A 8 1.506 -2.228 17.256 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.670 -1.258 16.961 1.00 0.00 N ATOM 0 H HIS A 8 -1.918 -2.564 13.602 1.00 0.00 H new ATOM 0 HA HIS A 8 0.404 -4.368 13.638 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.951 -4.010 15.526 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.629 -5.133 15.771 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.524 -4.247 16.769 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.190 -1.223 15.801 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.403 -2.130 17.849 1.00 0.00 H new ATOM 134 N ILE A 9 -0.829 -6.147 12.291 1.00 0.00 N ATOM 135 CA ILE A 9 -1.479 -7.263 11.589 1.00 0.00 C ATOM 136 C ILE A 9 -1.104 -8.594 12.261 1.00 0.00 C ATOM 137 O ILE A 9 0.064 -8.972 12.243 1.00 0.00 O ATOM 138 CB ILE A 9 -1.068 -7.278 10.067 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.360 -5.881 9.415 1.00 0.00 C ATOM 140 CG2 ILE A 9 -1.791 -8.422 9.309 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.075 -5.793 7.929 1.00 0.00 C ATOM 0 H ILE A 9 0.138 -5.990 12.008 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.559 -7.131 11.647 1.00 0.00 H new ATOM 0 HB ILE A 9 0.003 -7.468 9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.407 -5.630 9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.765 -5.126 9.929 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.491 -8.411 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.522 -9.380 9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.869 -8.280 9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.308 -4.790 7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.022 -6.007 7.747 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.690 -6.519 7.397 1.00 0.00 H new ATOM 153 N GLU A 10 -2.096 -9.297 12.847 1.00 0.00 N ATOM 154 CA GLU A 10 -1.882 -10.582 13.522 1.00 0.00 C ATOM 155 C GLU A 10 -1.774 -11.702 12.463 1.00 0.00 C ATOM 156 O GLU A 10 -2.717 -12.462 12.215 1.00 0.00 O ATOM 157 CB GLU A 10 -3.017 -10.844 14.555 1.00 0.00 C ATOM 158 CG GLU A 10 -2.831 -12.118 15.394 1.00 0.00 C ATOM 159 CD GLU A 10 -3.937 -12.332 16.440 1.00 0.00 C ATOM 160 OE1 GLU A 10 -5.022 -12.836 16.083 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.740 -11.975 17.623 1.00 0.00 O ATOM 0 H GLU A 10 -3.067 -8.984 12.862 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.947 -10.562 14.082 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.085 -9.988 15.227 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.967 -10.909 14.024 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.800 -12.980 14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.867 -12.072 15.901 1.00 0.00 H new ATOM 168 N GLN A 11 -0.598 -11.729 11.811 1.00 0.00 N ATOM 169 CA GLN A 11 -0.246 -12.689 10.761 1.00 0.00 C ATOM 170 C GLN A 11 1.255 -12.546 10.459 1.00 0.00 C ATOM 171 O GLN A 11 1.855 -11.519 10.780 1.00 0.00 O ATOM 172 CB GLN A 11 -1.122 -12.460 9.493 1.00 0.00 C ATOM 173 CG GLN A 11 -0.957 -13.485 8.346 1.00 0.00 C ATOM 174 CD GLN A 11 -1.111 -14.949 8.782 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.129 -15.637 9.059 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.342 -15.421 8.864 1.00 0.00 N ATOM 0 H GLN A 11 0.150 -11.064 12.008 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.444 -13.707 11.095 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.169 -12.454 9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.899 -11.468 9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.694 -13.269 7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.027 -13.354 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.134 -14.824 8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.500 -16.383 9.164 1.00 0.00 H new ATOM 185 N GLU A 12 1.852 -13.592 9.867 1.00 0.00 N ATOM 186 CA GLU A 12 3.287 -13.650 9.554 1.00 0.00 C ATOM 187 C GLU A 12 3.664 -12.634 8.472 1.00 0.00 C ATOM 188 O GLU A 12 2.913 -12.451 7.524 1.00 0.00 O ATOM 189 CB GLU A 12 3.655 -15.064 9.066 1.00 0.00 C ATOM 190 CG GLU A 12 3.204 -16.207 9.986 1.00 0.00 C ATOM 191 CD GLU A 12 3.777 -16.116 11.400 1.00 0.00 C ATOM 192 OE1 GLU A 12 4.980 -16.395 11.580 1.00 0.00 O ATOM 193 OE2 GLU A 12 3.023 -15.793 12.341 1.00 0.00 O ATOM 0 H GLU A 12 1.344 -14.432 9.589 1.00 0.00 H new ATOM 0 HA GLU A 12 3.838 -13.409 10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.216 -15.217 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.737 -15.120 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.116 -16.208 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.501 -17.158 9.543 1.00 0.00 H new ATOM 200 N ILE A 13 4.859 -12.039 8.609 1.00 0.00 N ATOM 201 CA ILE A 13 5.355 -10.959 7.733 1.00 0.00 C ATOM 202 C ILE A 13 5.382 -11.371 6.234 1.00 0.00 C ATOM 203 O ILE A 13 5.107 -10.545 5.361 1.00 0.00 O ATOM 204 CB ILE A 13 6.781 -10.484 8.207 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.261 -9.239 7.400 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.810 -11.640 8.127 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.614 -8.707 7.818 1.00 0.00 C ATOM 0 H ILE A 13 5.520 -12.297 9.342 1.00 0.00 H new ATOM 0 HA ILE A 13 4.654 -10.128 7.817 1.00 0.00 H new ATOM 0 HB ILE A 13 6.701 -10.185 9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.297 -9.499 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.523 -8.444 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.785 -11.283 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.486 -12.461 8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.884 -11.990 7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.870 -7.842 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.581 -8.412 8.867 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.368 -9.483 7.683 1.00 0.00 H new ATOM 219 N GLU A 14 5.671 -12.660 5.961 1.00 0.00 N ATOM 220 CA GLU A 14 5.728 -13.192 4.583 1.00 0.00 C ATOM 221 C GLU A 14 4.309 -13.292 3.985 1.00 0.00 C ATOM 222 O GLU A 14 4.099 -12.948 2.826 1.00 0.00 O ATOM 223 CB GLU A 14 6.429 -14.581 4.549 1.00 0.00 C ATOM 224 CG GLU A 14 7.817 -14.631 5.215 1.00 0.00 C ATOM 225 CD GLU A 14 8.477 -16.029 5.147 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.078 -16.925 5.925 1.00 0.00 O ATOM 227 OE2 GLU A 14 9.388 -16.239 4.319 1.00 0.00 O ATOM 0 H GLU A 14 5.870 -13.355 6.681 1.00 0.00 H new ATOM 0 HA GLU A 14 6.315 -12.501 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.782 -15.309 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.531 -14.894 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.471 -13.904 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.723 -14.331 6.259 1.00 0.00 H new ATOM 234 N ALA A 15 3.341 -13.746 4.806 1.00 0.00 N ATOM 235 CA ALA A 15 1.921 -13.890 4.388 1.00 0.00 C ATOM 236 C ALA A 15 1.265 -12.507 4.194 1.00 0.00 C ATOM 237 O ALA A 15 0.401 -12.325 3.327 1.00 0.00 O ATOM 238 CB ALA A 15 1.151 -14.742 5.408 1.00 0.00 C ATOM 0 H ALA A 15 3.514 -14.023 5.772 1.00 0.00 H new ATOM 0 HA ALA A 15 1.888 -14.404 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.113 -14.840 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.605 -15.731 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.188 -14.261 6.385 1.00 0.00 H new ATOM 244 N VAL A 16 1.701 -11.543 5.018 1.00 0.00 N ATOM 245 CA VAL A 16 1.311 -10.126 4.899 1.00 0.00 C ATOM 246 C VAL A 16 1.832 -9.549 3.562 1.00 0.00 C ATOM 247 O VAL A 16 1.074 -8.948 2.800 1.00 0.00 O ATOM 248 CB VAL A 16 1.856 -9.286 6.126 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.624 -7.763 5.957 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.235 -9.783 7.457 1.00 0.00 C ATOM 0 H VAL A 16 2.339 -11.724 5.793 1.00 0.00 H new ATOM 0 HA VAL A 16 0.223 -10.060 4.909 1.00 0.00 H new ATOM 0 HB VAL A 16 2.934 -9.445 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.017 -7.236 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.136 -7.414 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.556 -7.566 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.625 -9.190 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.151 -9.677 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.492 -10.831 7.609 1.00 0.00 H new ATOM 260 N TRP A 17 3.126 -9.798 3.279 1.00 0.00 N ATOM 261 CA TRP A 17 3.797 -9.358 2.031 1.00 0.00 C ATOM 262 C TRP A 17 3.131 -9.990 0.790 1.00 0.00 C ATOM 263 O TRP A 17 3.012 -9.348 -0.257 1.00 0.00 O ATOM 264 CB TRP A 17 5.297 -9.748 2.099 1.00 0.00 C ATOM 265 CG TRP A 17 6.144 -9.307 0.916 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.395 -10.010 -0.238 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.869 -8.074 0.791 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.210 -9.284 -1.064 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.517 -8.094 -0.457 1.00 0.00 C ATOM 270 CE3 TRP A 17 7.029 -6.957 1.610 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.313 -7.045 -0.903 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.824 -5.920 1.166 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.455 -5.970 -0.081 1.00 0.00 C ATOM 0 H TRP A 17 3.741 -10.312 3.910 1.00 0.00 H new ATOM 0 HA TRP A 17 3.703 -8.276 1.939 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.724 -9.323 3.007 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.369 -10.832 2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.006 -10.992 -0.461 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.536 -9.581 -1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.541 -6.904 2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.800 -7.082 -1.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.962 -5.052 1.794 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.067 -5.139 -0.398 1.00 0.00 H new ATOM 284 N TRP A 18 2.711 -11.255 0.940 1.00 0.00 N ATOM 285 CA TRP A 18 2.027 -12.019 -0.116 1.00 0.00 C ATOM 286 C TRP A 18 0.718 -11.319 -0.505 1.00 0.00 C ATOM 287 O TRP A 18 0.472 -11.077 -1.677 1.00 0.00 O ATOM 288 CB TRP A 18 1.752 -13.468 0.366 1.00 0.00 C ATOM 289 CG TRP A 18 1.024 -14.357 -0.630 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.575 -15.109 -1.635 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.398 -14.594 -0.699 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.589 -15.765 -2.331 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.626 -15.474 -1.772 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.495 -14.140 0.043 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -1.901 -15.905 -2.125 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.759 -14.572 -0.308 1.00 0.00 C ATOM 297 CH2 TRP A 18 -2.951 -15.447 -1.381 1.00 0.00 C ATOM 0 H TRP A 18 2.837 -11.782 1.804 1.00 0.00 H new ATOM 0 HA TRP A 18 2.669 -12.066 -0.995 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.703 -13.936 0.618 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.166 -13.423 1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.632 -15.176 -1.849 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.739 -16.373 -3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.355 -13.465 0.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.055 -16.577 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.613 -14.228 0.256 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.952 -15.768 -1.627 1.00 0.00 H new ATOM 308 N ALA A 19 -0.099 -10.998 0.511 1.00 0.00 N ATOM 309 CA ALA A 19 -1.399 -10.316 0.330 1.00 0.00 C ATOM 310 C ALA A 19 -1.216 -8.889 -0.233 1.00 0.00 C ATOM 311 O ALA A 19 -2.060 -8.405 -0.995 1.00 0.00 O ATOM 312 CB ALA A 19 -2.164 -10.298 1.660 1.00 0.00 C ATOM 0 H ALA A 19 0.121 -11.203 1.486 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.984 -10.872 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.121 -9.795 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.337 -11.321 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.578 -9.765 2.409 1.00 0.00 H new ATOM 318 N TRP A 20 -0.097 -8.237 0.139 1.00 0.00 N ATOM 319 CA TRP A 20 0.247 -6.885 -0.348 1.00 0.00 C ATOM 320 C TRP A 20 0.575 -6.912 -1.854 1.00 0.00 C ATOM 321 O TRP A 20 0.227 -5.987 -2.596 1.00 0.00 O ATOM 322 CB TRP A 20 1.448 -6.309 0.458 1.00 0.00 C ATOM 323 CG TRP A 20 1.807 -4.874 0.093 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.708 -4.456 -0.853 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.262 -3.675 0.670 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.732 -3.085 -0.910 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.862 -2.586 0.020 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.322 -3.424 1.670 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.549 -1.268 0.335 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.014 -2.117 1.987 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.626 -1.051 1.321 1.00 0.00 C ATOM 0 H TRP A 20 0.591 -8.629 0.782 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.617 -6.238 -0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.214 -6.355 1.522 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.319 -6.943 0.295 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.311 -5.111 -1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.306 -2.528 -1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.158 -4.241 2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.019 -0.444 -0.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.711 -1.914 2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.365 -0.038 1.590 1.00 0.00 H new ATOM 342 N ASN A 21 1.251 -7.986 -2.280 1.00 0.00 N ATOM 343 CA ASN A 21 1.779 -8.126 -3.653 1.00 0.00 C ATOM 344 C ASN A 21 0.755 -8.761 -4.613 1.00 0.00 C ATOM 345 O ASN A 21 0.708 -8.399 -5.799 1.00 0.00 O ATOM 346 CB ASN A 21 3.086 -8.968 -3.604 1.00 0.00 C ATOM 347 CG ASN A 21 3.567 -9.427 -4.984 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.203 -8.675 -5.725 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.288 -10.678 -5.336 1.00 0.00 N ATOM 0 H ASN A 21 1.451 -8.789 -1.683 1.00 0.00 H new ATOM 0 HA ASN A 21 1.990 -7.131 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.872 -8.378 -3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.922 -9.843 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.602 -11.036 -6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.760 -11.280 -4.704 1.00 0.00 H new ATOM 356 N ASP A 22 -0.061 -9.697 -4.092 1.00 0.00 N ATOM 357 CA ASP A 22 -0.955 -10.538 -4.908 1.00 0.00 C ATOM 358 C ASP A 22 -2.058 -9.693 -5.568 1.00 0.00 C ATOM 359 O ASP A 22 -2.876 -9.138 -4.851 1.00 0.00 O ATOM 360 CB ASP A 22 -1.588 -11.665 -4.045 1.00 0.00 C ATOM 361 CG ASP A 22 -2.438 -12.649 -4.866 1.00 0.00 C ATOM 362 OD1 ASP A 22 -1.884 -13.637 -5.372 1.00 0.00 O ATOM 363 OD2 ASP A 22 -3.660 -12.430 -5.027 1.00 0.00 O ATOM 0 H ASP A 22 -0.118 -9.891 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.355 -10.995 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.795 -12.215 -3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.210 -11.216 -3.271 1.00 0.00 H new ATOM 368 N PRO A 23 -2.092 -9.584 -6.947 1.00 0.00 N ATOM 369 CA PRO A 23 -3.024 -8.674 -7.674 1.00 0.00 C ATOM 370 C PRO A 23 -4.510 -8.922 -7.351 1.00 0.00 C ATOM 371 O PRO A 23 -5.316 -7.984 -7.364 1.00 0.00 O ATOM 372 CB PRO A 23 -2.718 -8.960 -9.171 1.00 0.00 C ATOM 373 CG PRO A 23 -1.339 -9.534 -9.176 1.00 0.00 C ATOM 374 CD PRO A 23 -1.231 -10.328 -7.898 1.00 0.00 C ATOM 0 HA PRO A 23 -2.869 -7.635 -7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.439 -9.659 -9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.769 -8.048 -9.766 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.181 -10.169 -10.048 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.586 -8.747 -9.214 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.577 -11.353 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.201 -10.383 -7.547 1.00 0.00 H new ATOM 382 N ASP A 24 -4.860 -10.189 -7.051 1.00 0.00 N ATOM 383 CA ASP A 24 -6.260 -10.591 -6.768 1.00 0.00 C ATOM 384 C ASP A 24 -6.639 -10.221 -5.320 1.00 0.00 C ATOM 385 O ASP A 24 -7.800 -9.920 -5.024 1.00 0.00 O ATOM 386 CB ASP A 24 -6.436 -12.109 -7.027 1.00 0.00 C ATOM 387 CG ASP A 24 -7.901 -12.565 -6.990 1.00 0.00 C ATOM 388 OD1 ASP A 24 -8.641 -12.306 -7.967 1.00 0.00 O ATOM 389 OD2 ASP A 24 -8.331 -13.166 -5.983 1.00 0.00 O ATOM 0 H ASP A 24 -4.191 -10.957 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.932 -10.052 -7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.010 -12.356 -7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.870 -12.666 -6.280 1.00 0.00 H new ATOM 394 N CYS A 25 -5.635 -10.267 -4.428 1.00 0.00 N ATOM 395 CA CYS A 25 -5.766 -9.784 -3.043 1.00 0.00 C ATOM 396 C CYS A 25 -5.941 -8.254 -3.034 1.00 0.00 C ATOM 397 O CYS A 25 -6.809 -7.727 -2.342 1.00 0.00 O ATOM 398 CB CYS A 25 -4.535 -10.195 -2.197 1.00 0.00 C ATOM 399 SG CYS A 25 -4.397 -11.972 -1.861 1.00 0.00 S ATOM 0 H CYS A 25 -4.711 -10.640 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.649 -10.243 -2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.632 -9.866 -2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.571 -9.662 -1.247 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.278 -12.618 -2.983 1.00 0.00 H new ATOM 405 N ILE A 26 -5.094 -7.561 -3.823 1.00 0.00 N ATOM 406 CA ILE A 26 -5.129 -6.098 -4.020 1.00 0.00 C ATOM 407 C ILE A 26 -6.509 -5.642 -4.532 1.00 0.00 C ATOM 408 O ILE A 26 -7.034 -4.627 -4.091 1.00 0.00 O ATOM 409 CB ILE A 26 -3.997 -5.635 -5.019 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.579 -6.035 -4.493 1.00 0.00 C ATOM 411 CG2 ILE A 26 -4.058 -4.116 -5.278 1.00 0.00 C ATOM 412 CD1 ILE A 26 -1.443 -5.741 -5.460 1.00 0.00 C ATOM 0 H ILE A 26 -4.350 -8.014 -4.353 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.949 -5.630 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.174 -6.149 -5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.390 -5.507 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.578 -7.101 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.265 -3.833 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.025 -3.859 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.927 -3.581 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.497 -6.050 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.604 -6.290 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.413 -4.672 -5.672 1.00 0.00 H new ATOM 424 N ALA A 27 -7.118 -6.464 -5.402 1.00 0.00 N ATOM 425 CA ALA A 27 -8.473 -6.216 -5.965 1.00 0.00 C ATOM 426 C ALA A 27 -9.566 -6.112 -4.873 1.00 0.00 C ATOM 427 O ALA A 27 -10.691 -5.697 -5.150 1.00 0.00 O ATOM 428 CB ALA A 27 -8.826 -7.329 -6.959 1.00 0.00 C ATOM 0 H ALA A 27 -6.690 -7.325 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.443 -5.252 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.819 -7.147 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.094 -7.341 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.817 -8.291 -6.447 1.00 0.00 H new ATOM 434 N ARG A 28 -9.212 -6.506 -3.639 1.00 0.00 N ATOM 435 CA ARG A 28 -10.111 -6.522 -2.488 1.00 0.00 C ATOM 436 C ARG A 28 -9.796 -5.366 -1.503 1.00 0.00 C ATOM 437 O ARG A 28 -10.692 -4.582 -1.176 1.00 0.00 O ATOM 438 CB ARG A 28 -9.994 -7.909 -1.810 1.00 0.00 C ATOM 439 CG ARG A 28 -10.313 -9.086 -2.772 1.00 0.00 C ATOM 440 CD ARG A 28 -9.997 -10.465 -2.182 1.00 0.00 C ATOM 441 NE ARG A 28 -10.320 -11.557 -3.113 1.00 0.00 N ATOM 442 CZ ARG A 28 -9.925 -12.832 -2.969 1.00 0.00 C ATOM 443 NH1 ARG A 28 -9.160 -13.195 -1.941 1.00 0.00 N ATOM 444 NH2 ARG A 28 -10.310 -13.741 -3.851 1.00 0.00 N ATOM 0 H ARG A 28 -8.270 -6.828 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.138 -6.362 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.984 -8.031 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.673 -7.949 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.369 -9.048 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.745 -8.955 -3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.940 -10.513 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.559 -10.600 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.887 -11.328 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.868 -12.501 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.866 -14.167 -1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.904 -13.471 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.013 -14.711 -3.746 1.00 0.00 H new ATOM 458 N TRP A 29 -8.518 -5.224 -1.065 1.00 0.00 N ATOM 459 CA TRP A 29 -8.149 -4.269 0.032 1.00 0.00 C ATOM 460 C TRP A 29 -7.782 -2.859 -0.483 1.00 0.00 C ATOM 461 O TRP A 29 -7.869 -1.883 0.274 1.00 0.00 O ATOM 462 CB TRP A 29 -7.002 -4.831 0.924 1.00 0.00 C ATOM 463 CG TRP A 29 -5.682 -5.129 0.233 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.245 -6.352 -0.179 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.610 -4.206 -0.080 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.014 -6.249 -0.758 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.596 -4.950 -0.705 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.417 -2.827 0.091 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.417 -4.378 -1.157 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.237 -2.260 -0.356 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.253 -3.037 -0.975 1.00 0.00 C ATOM 0 H TRP A 29 -7.729 -5.748 -1.444 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.048 -4.164 0.639 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.813 -4.116 1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.355 -5.749 1.393 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.796 -7.274 -0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.488 -7.022 -1.167 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.175 -2.220 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.655 -4.974 -1.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.073 -1.201 -0.225 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.344 -2.565 -1.316 1.00 0.00 H new ATOM 482 N ASN A 30 -7.374 -2.753 -1.759 1.00 0.00 N ATOM 483 CA ASN A 30 -6.854 -1.478 -2.334 1.00 0.00 C ATOM 484 C ASN A 30 -7.990 -0.469 -2.618 1.00 0.00 C ATOM 485 O ASN A 30 -7.728 0.676 -2.997 1.00 0.00 O ATOM 486 CB ASN A 30 -6.027 -1.779 -3.609 1.00 0.00 C ATOM 487 CG ASN A 30 -5.222 -0.594 -4.158 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.076 -0.358 -3.757 1.00 0.00 O ATOM 489 ND2 ASN A 30 -5.792 0.127 -5.115 1.00 0.00 N ATOM 0 H ASN A 30 -7.390 -3.529 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.202 -1.008 -1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.339 -2.596 -3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.704 -2.130 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.283 0.901 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.739 -0.093 -5.424 1.00 0.00 H new ATOM 496 N ALA A 31 -9.254 -0.905 -2.424 1.00 0.00 N ATOM 497 CA ALA A 31 -10.426 -0.019 -2.462 1.00 0.00 C ATOM 498 C ALA A 31 -10.281 1.086 -1.400 1.00 0.00 C ATOM 499 O ALA A 31 -10.465 0.832 -0.207 1.00 0.00 O ATOM 500 CB ALA A 31 -11.712 -0.833 -2.235 1.00 0.00 C ATOM 0 H ALA A 31 -9.485 -1.881 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.490 0.452 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.574 -0.167 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.808 -1.587 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.666 -1.323 -1.262 1.00 0.00 H new ATOM 506 N ALA A 32 -9.859 2.284 -1.851 1.00 0.00 N ATOM 507 CA ALA A 32 -9.720 3.479 -0.992 1.00 0.00 C ATOM 508 C ALA A 32 -11.090 3.899 -0.440 1.00 0.00 C ATOM 509 O ALA A 32 -11.208 4.333 0.710 1.00 0.00 O ATOM 510 CB ALA A 32 -9.073 4.628 -1.786 1.00 0.00 C ATOM 0 H ALA A 32 -9.604 2.452 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.073 3.237 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.975 5.504 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.087 4.320 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.699 4.875 -2.644 1.00 0.00 H new ATOM 516 N SER A 33 -12.113 3.737 -1.284 1.00 0.00 N ATOM 517 CA SER A 33 -13.509 3.996 -0.942 1.00 0.00 C ATOM 518 C SER A 33 -14.380 2.899 -1.562 1.00 0.00 C ATOM 519 O SER A 33 -13.938 2.179 -2.473 1.00 0.00 O ATOM 520 CB SER A 33 -13.929 5.391 -1.444 1.00 0.00 C ATOM 521 OG SER A 33 -13.827 5.484 -2.851 1.00 0.00 O ATOM 0 H SER A 33 -11.988 3.415 -2.244 1.00 0.00 H new ATOM 0 HA SER A 33 -13.638 3.983 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.955 5.596 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.300 6.151 -0.981 1.00 0.00 H new ATOM 0 HG SER A 33 -14.248 6.315 -3.155 1.00 0.00 H new ATOM 527 N SER A 34 -15.624 2.787 -1.080 1.00 0.00 N ATOM 528 CA SER A 34 -16.595 1.797 -1.575 1.00 0.00 C ATOM 529 C SER A 34 -17.125 2.164 -2.979 1.00 0.00 C ATOM 530 O SER A 34 -17.739 1.331 -3.636 1.00 0.00 O ATOM 531 CB SER A 34 -17.761 1.667 -0.570 1.00 0.00 C ATOM 532 OG SER A 34 -17.301 1.285 0.723 1.00 0.00 O ATOM 0 H SER A 34 -15.988 3.380 -0.335 1.00 0.00 H new ATOM 0 HA SER A 34 -16.086 0.838 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.291 2.617 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.476 0.929 -0.935 1.00 0.00 H new ATOM 0 HG SER A 34 -18.064 1.214 1.334 1.00 0.00 H new ATOM 538 N ASP A 35 -16.892 3.419 -3.418 1.00 0.00 N ATOM 539 CA ASP A 35 -17.247 3.885 -4.774 1.00 0.00 C ATOM 540 C ASP A 35 -16.116 3.597 -5.765 1.00 0.00 C ATOM 541 O ASP A 35 -16.364 3.487 -6.967 1.00 0.00 O ATOM 542 CB ASP A 35 -17.587 5.396 -4.772 1.00 0.00 C ATOM 543 CG ASP A 35 -18.851 5.716 -3.962 1.00 0.00 C ATOM 544 OD1 ASP A 35 -19.971 5.430 -4.443 1.00 0.00 O ATOM 545 OD2 ASP A 35 -18.739 6.232 -2.830 1.00 0.00 O ATOM 0 H ASP A 35 -16.453 4.137 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.133 3.335 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.746 5.953 -4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.722 5.735 -5.799 1.00 0.00 H new ATOM 550 N TRP A 36 -14.878 3.425 -5.256 1.00 0.00 N ATOM 551 CA TRP A 36 -13.696 3.226 -6.109 1.00 0.00 C ATOM 552 C TRP A 36 -13.221 1.780 -5.969 1.00 0.00 C ATOM 553 O TRP A 36 -12.664 1.373 -4.942 1.00 0.00 O ATOM 554 CB TRP A 36 -12.564 4.220 -5.749 1.00 0.00 C ATOM 555 CG TRP A 36 -12.797 5.638 -6.237 1.00 0.00 C ATOM 556 CD1 TRP A 36 -13.818 6.488 -5.879 1.00 0.00 C ATOM 557 CD2 TRP A 36 -11.981 6.370 -7.169 1.00 0.00 C ATOM 558 NE1 TRP A 36 -13.679 7.688 -6.527 1.00 0.00 N ATOM 559 CE2 TRP A 36 -12.561 7.642 -7.320 1.00 0.00 C ATOM 560 CE3 TRP A 36 -10.814 6.071 -7.886 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -12.020 8.613 -8.155 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -10.280 7.038 -8.715 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.881 8.297 -8.841 1.00 0.00 C ATOM 0 H TRP A 36 -14.675 3.421 -4.256 1.00 0.00 H new ATOM 0 HA TRP A 36 -13.969 3.420 -7.146 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.442 4.237 -4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -11.628 3.853 -6.169 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.612 6.245 -5.189 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.306 8.487 -6.434 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -10.342 5.104 -7.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -12.484 9.583 -8.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.383 6.820 -9.276 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.435 9.033 -9.494 1.00 0.00 H new ATOM 574 N HIS A 37 -13.450 1.031 -7.039 1.00 0.00 N ATOM 575 CA HIS A 37 -13.056 -0.362 -7.176 1.00 0.00 C ATOM 576 C HIS A 37 -11.788 -0.442 -8.028 1.00 0.00 C ATOM 577 O HIS A 37 -11.705 0.191 -9.094 1.00 0.00 O ATOM 578 CB HIS A 37 -14.249 -1.146 -7.800 1.00 0.00 C ATOM 579 CG HIS A 37 -13.899 -2.416 -8.532 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.799 -3.641 -7.929 1.00 0.00 N ATOM 581 CD2 HIS A 37 -13.631 -2.616 -9.844 1.00 0.00 C ATOM 582 CE1 HIS A 37 -13.478 -4.549 -8.835 1.00 0.00 C ATOM 583 NE2 HIS A 37 -13.369 -3.953 -10.002 1.00 0.00 N ATOM 0 H HIS A 37 -13.932 1.390 -7.863 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.824 -0.812 -6.211 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.952 -1.392 -7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.770 -0.484 -8.492 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.625 -1.865 -10.620 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.330 -5.602 -8.648 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -13.129 -4.410 -10.881 1.00 0.00 H new ATOM 592 N THR A 38 -10.812 -1.223 -7.549 1.00 0.00 N ATOM 593 CA THR A 38 -9.584 -1.500 -8.285 1.00 0.00 C ATOM 594 C THR A 38 -9.893 -2.491 -9.424 1.00 0.00 C ATOM 595 O THR A 38 -10.282 -3.636 -9.175 1.00 0.00 O ATOM 596 CB THR A 38 -8.477 -2.063 -7.330 1.00 0.00 C ATOM 597 OG1 THR A 38 -8.394 -1.235 -6.155 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.094 -2.111 -8.005 1.00 0.00 C ATOM 0 H THR A 38 -10.857 -1.679 -6.638 1.00 0.00 H new ATOM 0 HA THR A 38 -9.201 -0.574 -8.713 1.00 0.00 H new ATOM 0 HB THR A 38 -8.758 -3.083 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.739 -1.729 -5.382 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.360 -2.508 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.140 -2.754 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.801 -1.105 -8.306 1.00 0.00 H new ATOM 606 N THR A 39 -9.769 -2.012 -10.671 1.00 0.00 N ATOM 607 CA THR A 39 -10.067 -2.777 -11.888 1.00 0.00 C ATOM 608 C THR A 39 -8.861 -3.633 -12.344 1.00 0.00 C ATOM 609 O THR A 39 -8.980 -4.431 -13.282 1.00 0.00 O ATOM 610 CB THR A 39 -10.485 -1.791 -13.030 1.00 0.00 C ATOM 611 OG1 THR A 39 -9.468 -0.782 -13.176 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.833 -1.101 -12.739 1.00 0.00 C ATOM 0 H THR A 39 -9.452 -1.062 -10.864 1.00 0.00 H new ATOM 0 HA THR A 39 -10.886 -3.461 -11.665 1.00 0.00 H new ATOM 0 HB THR A 39 -10.596 -2.372 -13.946 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.723 -0.162 -13.891 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.081 -0.427 -13.559 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.614 -1.855 -12.640 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.758 -0.533 -11.812 1.00 0.00 H new ATOM 620 N GLY A 40 -7.697 -3.445 -11.691 1.00 0.00 N ATOM 621 CA GLY A 40 -6.513 -4.274 -11.941 1.00 0.00 C ATOM 622 C GLY A 40 -5.253 -3.675 -11.345 1.00 0.00 C ATOM 623 O GLY A 40 -5.159 -2.459 -11.203 1.00 0.00 O ATOM 0 H GLY A 40 -7.557 -2.722 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.673 -5.268 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.380 -4.399 -13.016 1.00 0.00 H new ATOM 627 N SER A 41 -4.272 -4.527 -10.996 1.00 0.00 N ATOM 628 CA SER A 41 -2.972 -4.090 -10.452 1.00 0.00 C ATOM 629 C SER A 41 -1.810 -4.869 -11.082 1.00 0.00 C ATOM 630 O SER A 41 -1.576 -6.042 -10.755 1.00 0.00 O ATOM 631 CB SER A 41 -2.956 -4.217 -8.923 1.00 0.00 C ATOM 632 OG SER A 41 -3.904 -3.336 -8.352 1.00 0.00 O ATOM 0 H SER A 41 -4.358 -5.540 -11.083 1.00 0.00 H new ATOM 0 HA SER A 41 -2.838 -3.039 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.181 -5.243 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.961 -3.989 -8.542 1.00 0.00 H new ATOM 0 HG SER A 41 -3.444 -2.685 -7.782 1.00 0.00 H new ATOM 638 N ARG A 42 -1.087 -4.198 -11.998 1.00 0.00 N ATOM 639 CA ARG A 42 0.122 -4.740 -12.626 1.00 0.00 C ATOM 640 C ARG A 42 1.322 -4.367 -11.741 1.00 0.00 C ATOM 641 O ARG A 42 1.740 -3.205 -11.717 1.00 0.00 O ATOM 642 CB ARG A 42 0.302 -4.159 -14.051 1.00 0.00 C ATOM 643 CG ARG A 42 -0.902 -4.364 -14.990 1.00 0.00 C ATOM 644 CD ARG A 42 -0.730 -3.649 -16.342 1.00 0.00 C ATOM 645 NE ARG A 42 -1.936 -3.766 -17.180 1.00 0.00 N ATOM 646 CZ ARG A 42 -2.121 -3.177 -18.376 1.00 0.00 C ATOM 647 NH1 ARG A 42 -1.176 -2.424 -18.923 1.00 0.00 N ATOM 648 NH2 ARG A 42 -3.259 -3.372 -19.021 1.00 0.00 N ATOM 0 H ARG A 42 -1.330 -3.262 -12.321 1.00 0.00 H new ATOM 0 HA ARG A 42 0.043 -5.823 -12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.503 -3.091 -13.970 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.181 -4.616 -14.506 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.045 -5.431 -15.163 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.805 -3.997 -14.502 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.507 -2.596 -16.170 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.123 -4.073 -16.872 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.697 -4.344 -16.823 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.291 -2.283 -18.436 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.335 -1.986 -19.830 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.983 -3.962 -18.611 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.413 -2.932 -19.928 1.00 0.00 H new ATOM 662 N VAL A 43 1.833 -5.340 -10.980 1.00 0.00 N ATOM 663 CA VAL A 43 2.916 -5.120 -10.005 1.00 0.00 C ATOM 664 C VAL A 43 4.168 -5.900 -10.444 1.00 0.00 C ATOM 665 O VAL A 43 4.182 -7.135 -10.417 1.00 0.00 O ATOM 666 CB VAL A 43 2.476 -5.550 -8.545 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.615 -5.330 -7.511 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.175 -4.815 -8.114 1.00 0.00 C ATOM 0 H VAL A 43 1.509 -6.306 -11.020 1.00 0.00 H new ATOM 0 HA VAL A 43 3.145 -4.055 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 43 2.266 -6.619 -8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.273 -5.637 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.484 -5.924 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.888 -4.275 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.896 -5.129 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.345 -3.738 -8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.371 -5.062 -8.807 1.00 0.00 H new ATOM 678 N ASP A 44 5.201 -5.161 -10.860 1.00 0.00 N ATOM 679 CA ASP A 44 6.533 -5.701 -11.170 1.00 0.00 C ATOM 680 C ASP A 44 7.406 -5.463 -9.938 1.00 0.00 C ATOM 681 O ASP A 44 8.152 -4.476 -9.865 1.00 0.00 O ATOM 682 CB ASP A 44 7.150 -5.027 -12.435 1.00 0.00 C ATOM 683 CG ASP A 44 6.481 -5.469 -13.747 1.00 0.00 C ATOM 684 OD1 ASP A 44 6.887 -6.509 -14.312 1.00 0.00 O ATOM 685 OD2 ASP A 44 5.539 -4.792 -14.215 1.00 0.00 O ATOM 0 H ASP A 44 5.136 -4.152 -10.994 1.00 0.00 H new ATOM 0 HA ASP A 44 6.466 -6.764 -11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.066 -3.945 -12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.214 -5.261 -12.481 1.00 0.00 H new ATOM 690 N LEU A 45 7.232 -6.347 -8.934 1.00 0.00 N ATOM 691 CA LEU A 45 7.871 -6.218 -7.608 1.00 0.00 C ATOM 692 C LEU A 45 9.374 -6.574 -7.679 1.00 0.00 C ATOM 693 O LEU A 45 9.795 -7.670 -7.289 1.00 0.00 O ATOM 694 CB LEU A 45 7.121 -7.098 -6.567 1.00 0.00 C ATOM 695 CG LEU A 45 7.598 -6.962 -5.087 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.350 -5.542 -4.541 1.00 0.00 C ATOM 697 CD2 LEU A 45 6.944 -8.030 -4.183 1.00 0.00 C ATOM 0 H LEU A 45 6.642 -7.174 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 45 7.803 -5.179 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.060 -6.852 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.219 -8.142 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 45 8.674 -7.134 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.694 -5.484 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.896 -4.819 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.284 -5.318 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.298 -7.907 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.860 -7.914 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.211 -9.024 -4.542 1.00 0.00 H new ATOM 709 N VAL A 46 10.153 -5.646 -8.254 1.00 0.00 N ATOM 710 CA VAL A 46 11.612 -5.733 -8.391 1.00 0.00 C ATOM 711 C VAL A 46 12.203 -4.324 -8.203 1.00 0.00 C ATOM 712 O VAL A 46 11.482 -3.318 -8.309 1.00 0.00 O ATOM 713 CB VAL A 46 12.061 -6.304 -9.801 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.653 -7.792 -9.985 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.519 -5.435 -10.963 1.00 0.00 C ATOM 0 H VAL A 46 9.771 -4.787 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 46 11.980 -6.425 -7.633 1.00 0.00 H new ATOM 0 HB VAL A 46 13.150 -6.260 -9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.981 -8.141 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.122 -8.397 -9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.569 -7.884 -9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.846 -5.855 -11.914 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.430 -5.419 -10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.900 -4.418 -10.865 1.00 0.00 H new ATOM 725 N VAL A 47 13.506 -4.263 -7.921 1.00 0.00 N ATOM 726 CA VAL A 47 14.233 -2.993 -7.779 1.00 0.00 C ATOM 727 C VAL A 47 14.380 -2.338 -9.162 1.00 0.00 C ATOM 728 O VAL A 47 15.041 -2.893 -10.050 1.00 0.00 O ATOM 729 CB VAL A 47 15.649 -3.219 -7.144 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.405 -1.879 -6.941 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.536 -4.023 -5.830 1.00 0.00 C ATOM 0 H VAL A 47 14.089 -5.089 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 47 13.667 -2.340 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 47 16.242 -3.809 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.382 -2.076 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.535 -1.385 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.830 -1.234 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.530 -4.169 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.915 -3.475 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.083 -4.993 -6.035 1.00 0.00 H new ATOM 741 N GLY A 48 13.732 -1.181 -9.343 1.00 0.00 N ATOM 742 CA GLY A 48 13.686 -0.488 -10.633 1.00 0.00 C ATOM 743 C GLY A 48 12.421 -0.791 -11.411 1.00 0.00 C ATOM 744 O GLY A 48 12.161 -0.168 -12.448 1.00 0.00 O ATOM 0 H GLY A 48 13.226 -0.700 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.758 0.587 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.552 -0.777 -11.228 1.00 0.00 H new ATOM 748 N GLY A 49 11.640 -1.772 -10.918 1.00 0.00 N ATOM 749 CA GLY A 49 10.324 -2.095 -11.475 1.00 0.00 C ATOM 750 C GLY A 49 9.258 -1.171 -10.943 1.00 0.00 C ATOM 751 O GLY A 49 9.516 -0.387 -10.043 1.00 0.00 O ATOM 0 H GLY A 49 11.907 -2.357 -10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.360 -2.023 -12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.068 -3.126 -11.232 1.00 0.00 H new ATOM 755 N ARG A 50 8.052 -1.248 -11.515 1.00 0.00 N ATOM 756 CA ARG A 50 6.940 -0.347 -11.155 1.00 0.00 C ATOM 757 C ARG A 50 5.713 -1.148 -10.728 1.00 0.00 C ATOM 758 O ARG A 50 5.684 -2.362 -10.855 1.00 0.00 O ATOM 759 CB ARG A 50 6.577 0.569 -12.361 1.00 0.00 C ATOM 760 CG ARG A 50 7.770 1.299 -13.008 1.00 0.00 C ATOM 761 CD ARG A 50 7.336 2.204 -14.170 1.00 0.00 C ATOM 762 NE ARG A 50 6.638 1.452 -15.232 1.00 0.00 N ATOM 763 CZ ARG A 50 5.394 1.703 -15.684 1.00 0.00 C ATOM 764 NH1 ARG A 50 4.670 2.685 -15.172 1.00 0.00 N ATOM 765 NH2 ARG A 50 4.887 0.959 -16.652 1.00 0.00 N ATOM 0 H ARG A 50 7.815 -1.930 -12.236 1.00 0.00 H new ATOM 0 HA ARG A 50 7.261 0.273 -10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.085 -0.036 -13.122 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.853 1.313 -12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.279 1.899 -12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.489 0.565 -13.371 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.681 2.989 -13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.212 2.696 -14.592 1.00 0.00 H new ATOM 0 HE ARG A 50 7.141 0.675 -15.660 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.052 3.264 -14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.730 2.863 -15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.437 0.199 -17.053 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.946 1.145 -16.998 1.00 0.00 H new ATOM 779 N PHE A 51 4.702 -0.445 -10.228 1.00 0.00 N ATOM 780 CA PHE A 51 3.371 -1.002 -9.949 1.00 0.00 C ATOM 781 C PHE A 51 2.328 -0.004 -10.453 1.00 0.00 C ATOM 782 O PHE A 51 2.608 1.189 -10.515 1.00 0.00 O ATOM 783 CB PHE A 51 3.170 -1.282 -8.433 1.00 0.00 C ATOM 784 CG PHE A 51 3.119 -0.023 -7.551 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.276 0.686 -7.255 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.913 0.456 -7.048 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.229 1.828 -6.492 1.00 0.00 C ATOM 788 CE2 PHE A 51 1.868 1.599 -6.278 1.00 0.00 C ATOM 789 CZ PHE A 51 3.026 2.285 -6.001 1.00 0.00 C ATOM 0 H PHE A 51 4.780 0.546 -9.999 1.00 0.00 H new ATOM 0 HA PHE A 51 3.265 -1.959 -10.461 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.244 -1.841 -8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.981 -1.921 -8.084 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.226 0.335 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.998 -0.076 -7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.139 2.369 -6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.924 1.955 -5.893 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.993 3.181 -5.399 1.00 0.00 H new ATOM 799 N CYS A 52 1.138 -0.493 -10.794 1.00 0.00 N ATOM 800 CA CYS A 52 0.010 0.349 -11.218 1.00 0.00 C ATOM 801 C CYS A 52 -1.281 -0.219 -10.639 1.00 0.00 C ATOM 802 O CYS A 52 -1.636 -1.347 -10.955 1.00 0.00 O ATOM 803 CB CYS A 52 -0.076 0.410 -12.762 1.00 0.00 C ATOM 804 SG CYS A 52 1.355 1.178 -13.548 1.00 0.00 S ATOM 0 H CYS A 52 0.923 -1.490 -10.786 1.00 0.00 H new ATOM 0 HA CYS A 52 0.161 1.363 -10.849 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.190 -0.602 -13.149 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.972 0.962 -13.044 1.00 0.00 H new ATOM 0 HG CYS A 52 1.192 1.181 -14.838 1.00 0.00 H new ATOM 810 N HIS A 53 -1.956 0.536 -9.753 1.00 0.00 N ATOM 811 CA HIS A 53 -3.302 0.181 -9.270 1.00 0.00 C ATOM 812 C HIS A 53 -4.321 0.996 -10.064 1.00 0.00 C ATOM 813 O HIS A 53 -4.508 2.191 -9.798 1.00 0.00 O ATOM 814 CB HIS A 53 -3.476 0.467 -7.751 1.00 0.00 C ATOM 815 CG HIS A 53 -2.436 -0.163 -6.859 1.00 0.00 C ATOM 816 ND1 HIS A 53 -2.283 -1.519 -6.721 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.490 0.395 -6.070 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.292 -1.772 -5.894 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.787 -0.631 -5.480 1.00 0.00 N ATOM 0 H HIS A 53 -1.588 1.400 -9.356 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.452 -0.889 -9.414 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.460 1.546 -7.596 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.460 0.115 -7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.318 1.452 -5.929 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.950 -2.754 -5.603 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.007 -0.524 -4.832 1.00 0.00 H new ATOM 828 N HIS A 54 -4.921 0.376 -11.084 1.00 0.00 N ATOM 829 CA HIS A 54 -6.024 0.981 -11.835 1.00 0.00 C ATOM 830 C HIS A 54 -7.254 1.002 -10.942 1.00 0.00 C ATOM 831 O HIS A 54 -7.812 -0.043 -10.637 1.00 0.00 O ATOM 832 CB HIS A 54 -6.299 0.192 -13.141 1.00 0.00 C ATOM 833 CG HIS A 54 -5.184 0.264 -14.151 1.00 0.00 C ATOM 834 ND1 HIS A 54 -5.149 -0.492 -15.301 1.00 0.00 N ATOM 835 CD2 HIS A 54 -4.063 1.024 -14.179 1.00 0.00 C ATOM 836 CE1 HIS A 54 -4.058 -0.202 -15.985 1.00 0.00 C ATOM 837 NE2 HIS A 54 -3.383 0.718 -15.327 1.00 0.00 N ATOM 0 H HIS A 54 -4.658 -0.554 -11.411 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.762 1.999 -12.124 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.480 -0.853 -12.890 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.213 0.573 -13.597 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.760 1.742 -13.431 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.768 -0.645 -16.926 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.500 1.134 -15.624 1.00 0.00 H new ATOM 846 N MET A 55 -7.618 2.195 -10.472 1.00 0.00 N ATOM 847 CA MET A 55 -8.759 2.392 -9.575 1.00 0.00 C ATOM 848 C MET A 55 -9.732 3.347 -10.243 1.00 0.00 C ATOM 849 O MET A 55 -9.310 4.374 -10.779 1.00 0.00 O ATOM 850 CB MET A 55 -8.303 2.970 -8.217 1.00 0.00 C ATOM 851 CG MET A 55 -7.336 2.078 -7.435 1.00 0.00 C ATOM 852 SD MET A 55 -6.847 2.820 -5.866 1.00 0.00 S ATOM 853 CE MET A 55 -8.437 3.076 -5.078 1.00 0.00 C ATOM 0 H MET A 55 -7.127 3.058 -10.704 1.00 0.00 H new ATOM 0 HA MET A 55 -9.238 1.432 -9.383 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.827 3.935 -8.390 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.184 3.155 -7.602 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.805 1.112 -7.248 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.448 1.890 -8.039 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.305 3.115 -3.997 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.868 4.015 -5.425 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.106 2.254 -5.333 1.00 0.00 H new ATOM 863 N ALA A 56 -11.028 3.019 -10.186 1.00 0.00 N ATOM 864 CA ALA A 56 -12.066 3.796 -10.863 1.00 0.00 C ATOM 865 C ALA A 56 -13.381 3.732 -10.087 1.00 0.00 C ATOM 866 O ALA A 56 -13.609 2.800 -9.315 1.00 0.00 O ATOM 867 CB ALA A 56 -12.249 3.283 -12.307 1.00 0.00 C ATOM 0 H ALA A 56 -11.382 2.212 -9.672 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.755 4.840 -10.903 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.024 3.866 -12.805 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.310 3.386 -12.852 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.542 2.233 -12.286 1.00 0.00 H new ATOM 873 N ALA A 57 -14.227 4.748 -10.292 1.00 0.00 N ATOM 874 CA ALA A 57 -15.601 4.787 -9.780 1.00 0.00 C ATOM 875 C ALA A 57 -16.465 3.718 -10.483 1.00 0.00 C ATOM 876 O ALA A 57 -16.120 3.260 -11.576 1.00 0.00 O ATOM 877 CB ALA A 57 -16.173 6.190 -9.987 1.00 0.00 C ATOM 0 H ALA A 57 -13.972 5.579 -10.826 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.604 4.562 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.195 6.226 -9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.561 6.915 -9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.171 6.430 -11.050 1.00 0.00 H new ATOM 883 N LYS A 58 -17.587 3.332 -9.848 1.00 0.00 N ATOM 884 CA LYS A 58 -18.483 2.256 -10.355 1.00 0.00 C ATOM 885 C LYS A 58 -19.143 2.648 -11.689 1.00 0.00 C ATOM 886 O LYS A 58 -19.274 1.820 -12.591 1.00 0.00 O ATOM 887 CB LYS A 58 -19.573 1.904 -9.312 1.00 0.00 C ATOM 888 CG LYS A 58 -19.029 1.529 -7.921 1.00 0.00 C ATOM 889 CD LYS A 58 -18.092 0.301 -7.944 1.00 0.00 C ATOM 890 CE LYS A 58 -17.557 -0.047 -6.550 1.00 0.00 C ATOM 891 NZ LYS A 58 -18.655 -0.276 -5.579 1.00 0.00 N ATOM 0 H LYS A 58 -17.904 3.750 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.861 1.377 -10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.246 2.755 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.167 1.073 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.490 2.381 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.866 1.326 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.630 -0.556 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.255 0.498 -8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.935 -0.940 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.919 0.762 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.668 0.495 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.564 -0.302 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.504 -1.182 -5.091 1.00 0.00 H new ATOM 905 N ASP A 59 -19.570 3.923 -11.783 1.00 0.00 N ATOM 906 CA ASP A 59 -20.093 4.505 -13.043 1.00 0.00 C ATOM 907 C ASP A 59 -18.954 4.635 -14.084 1.00 0.00 C ATOM 908 O ASP A 59 -19.199 4.614 -15.290 1.00 0.00 O ATOM 909 CB ASP A 59 -20.752 5.888 -12.755 1.00 0.00 C ATOM 910 CG ASP A 59 -21.343 6.572 -14.008 1.00 0.00 C ATOM 911 OD1 ASP A 59 -22.481 6.236 -14.404 1.00 0.00 O ATOM 912 OD2 ASP A 59 -20.671 7.439 -14.610 1.00 0.00 O ATOM 0 H ASP A 59 -19.564 4.575 -10.999 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.854 3.843 -13.457 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.544 5.756 -12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.008 6.548 -12.309 1.00 0.00 H new ATOM 917 N GLY A 60 -17.707 4.746 -13.585 1.00 0.00 N ATOM 918 CA GLY A 60 -16.521 4.953 -14.423 1.00 0.00 C ATOM 919 C GLY A 60 -16.335 6.413 -14.803 1.00 0.00 C ATOM 920 O GLY A 60 -15.568 6.731 -15.710 1.00 0.00 O ATOM 0 H GLY A 60 -17.499 4.694 -12.588 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.637 4.602 -13.891 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.608 4.352 -15.328 1.00 0.00 H new ATOM 924 N SER A 61 -17.062 7.306 -14.098 1.00 0.00 N ATOM 925 CA SER A 61 -17.007 8.763 -14.327 1.00 0.00 C ATOM 926 C SER A 61 -15.626 9.331 -13.931 1.00 0.00 C ATOM 927 O SER A 61 -15.162 10.329 -14.494 1.00 0.00 O ATOM 928 CB SER A 61 -18.135 9.455 -13.532 1.00 0.00 C ATOM 929 OG SER A 61 -18.289 10.816 -13.881 1.00 0.00 O ATOM 0 H SER A 61 -17.704 7.035 -13.353 1.00 0.00 H new ATOM 0 HA SER A 61 -17.151 8.959 -15.389 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.074 8.930 -13.708 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.923 9.379 -12.466 1.00 0.00 H new ATOM 0 HG SER A 61 -19.015 11.209 -13.353 1.00 0.00 H new ATOM 935 N ALA A 62 -14.983 8.669 -12.957 1.00 0.00 N ATOM 936 CA ALA A 62 -13.623 8.985 -12.497 1.00 0.00 C ATOM 937 C ALA A 62 -12.789 7.706 -12.470 1.00 0.00 C ATOM 938 O ALA A 62 -13.343 6.615 -12.333 1.00 0.00 O ATOM 939 CB ALA A 62 -13.676 9.635 -11.113 1.00 0.00 C ATOM 0 H ALA A 62 -15.402 7.884 -12.458 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.157 9.692 -13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.664 9.866 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.259 10.554 -11.165 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.143 8.949 -10.406 1.00 0.00 H new ATOM 945 N GLY A 63 -11.466 7.843 -12.644 1.00 0.00 N ATOM 946 CA GLY A 63 -10.550 6.719 -12.518 1.00 0.00 C ATOM 947 C GLY A 63 -9.130 7.115 -12.860 1.00 0.00 C ATOM 948 O GLY A 63 -8.896 7.726 -13.901 1.00 0.00 O ATOM 0 H GLY A 63 -11.013 8.728 -12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.585 6.333 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.871 5.912 -13.176 1.00 0.00 H new ATOM 952 N PHE A 64 -8.178 6.792 -11.964 1.00 0.00 N ATOM 953 CA PHE A 64 -6.763 7.193 -12.093 1.00 0.00 C ATOM 954 C PHE A 64 -5.828 6.033 -11.762 1.00 0.00 C ATOM 955 O PHE A 64 -6.237 5.002 -11.199 1.00 0.00 O ATOM 956 CB PHE A 64 -6.454 8.410 -11.179 1.00 0.00 C ATOM 957 CG PHE A 64 -7.259 9.656 -11.560 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.827 10.494 -12.590 1.00 0.00 C ATOM 959 CD2 PHE A 64 -8.467 9.954 -10.938 1.00 0.00 C ATOM 960 CE1 PHE A 64 -7.575 11.590 -12.973 1.00 0.00 C ATOM 961 CE2 PHE A 64 -9.216 11.041 -11.329 1.00 0.00 C ATOM 962 CZ PHE A 64 -8.772 11.864 -12.342 1.00 0.00 C ATOM 0 H PHE A 64 -8.369 6.243 -11.126 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.592 7.481 -13.130 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.670 8.146 -10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.390 8.639 -11.234 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.896 10.282 -13.094 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.823 9.323 -10.137 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.223 12.233 -13.766 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.156 11.250 -10.840 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.359 12.720 -12.641 1.00 0.00 H new ATOM 972 N ASP A 65 -4.557 6.241 -12.113 1.00 0.00 N ATOM 973 CA ASP A 65 -3.480 5.272 -11.907 1.00 0.00 C ATOM 974 C ASP A 65 -2.763 5.586 -10.590 1.00 0.00 C ATOM 975 O ASP A 65 -2.073 6.607 -10.482 1.00 0.00 O ATOM 976 CB ASP A 65 -2.478 5.328 -13.089 1.00 0.00 C ATOM 977 CG ASP A 65 -3.092 4.886 -14.419 1.00 0.00 C ATOM 978 OD1 ASP A 65 -3.884 5.653 -15.001 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.800 3.771 -14.883 1.00 0.00 O ATOM 0 H ASP A 65 -4.242 7.104 -12.557 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.901 4.268 -11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.101 6.346 -13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.622 4.693 -12.862 1.00 0.00 H new ATOM 984 N PHE A 66 -2.938 4.710 -9.594 1.00 0.00 N ATOM 985 CA PHE A 66 -2.219 4.786 -8.314 1.00 0.00 C ATOM 986 C PHE A 66 -0.934 3.976 -8.494 1.00 0.00 C ATOM 987 O PHE A 66 -0.831 2.802 -8.112 1.00 0.00 O ATOM 988 CB PHE A 66 -3.114 4.276 -7.148 1.00 0.00 C ATOM 989 CG PHE A 66 -4.307 5.205 -6.846 1.00 0.00 C ATOM 990 CD1 PHE A 66 -5.334 5.389 -7.779 1.00 0.00 C ATOM 991 CD2 PHE A 66 -4.392 5.901 -5.640 1.00 0.00 C ATOM 992 CE1 PHE A 66 -6.397 6.235 -7.517 1.00 0.00 C ATOM 993 CE2 PHE A 66 -5.457 6.745 -5.376 1.00 0.00 C ATOM 994 CZ PHE A 66 -6.460 6.910 -6.314 1.00 0.00 C ATOM 0 H PHE A 66 -3.585 3.924 -9.652 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.966 5.811 -8.044 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.489 3.283 -7.394 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.505 4.173 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.296 4.861 -8.720 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.614 5.779 -4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.177 6.367 -8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.505 7.275 -4.436 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.292 7.566 -6.106 1.00 0.00 H new ATOM 1004 N THR A 67 0.012 4.625 -9.174 1.00 0.00 N ATOM 1005 CA THR A 67 1.192 3.987 -9.762 1.00 0.00 C ATOM 1006 C THR A 67 2.479 4.629 -9.232 1.00 0.00 C ATOM 1007 O THR A 67 2.453 5.751 -8.711 1.00 0.00 O ATOM 1008 CB THR A 67 1.127 4.091 -11.329 1.00 0.00 C ATOM 1009 OG1 THR A 67 2.298 3.527 -11.937 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.954 5.538 -11.809 1.00 0.00 C ATOM 0 H THR A 67 -0.021 5.632 -9.335 1.00 0.00 H new ATOM 0 HA THR A 67 1.200 2.935 -9.477 1.00 0.00 H new ATOM 0 HB THR A 67 0.250 3.521 -11.636 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.031 2.914 -12.653 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.915 5.558 -12.898 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.028 5.947 -11.405 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.796 6.138 -11.466 1.00 0.00 H new ATOM 1018 N GLY A 68 3.592 3.897 -9.375 1.00 0.00 N ATOM 1019 CA GLY A 68 4.899 4.378 -8.951 1.00 0.00 C ATOM 1020 C GLY A 68 6.004 3.382 -9.239 1.00 0.00 C ATOM 1021 O GLY A 68 5.726 2.240 -9.588 1.00 0.00 O ATOM 0 H GLY A 68 3.605 2.963 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.119 5.317 -9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.875 4.591 -7.882 1.00 0.00 H new ATOM 1025 N THR A 69 7.267 3.812 -9.082 1.00 0.00 N ATOM 1026 CA THR A 69 8.438 2.955 -9.332 1.00 0.00 C ATOM 1027 C THR A 69 9.100 2.553 -8.002 1.00 0.00 C ATOM 1028 O THR A 69 9.411 3.420 -7.179 1.00 0.00 O ATOM 1029 CB THR A 69 9.481 3.684 -10.245 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.839 4.165 -11.432 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.651 2.763 -10.649 1.00 0.00 C ATOM 0 H THR A 69 7.504 4.757 -8.780 1.00 0.00 H new ATOM 0 HA THR A 69 8.095 2.058 -9.847 1.00 0.00 H new ATOM 0 HB THR A 69 9.887 4.513 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.497 4.621 -11.998 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.347 3.315 -11.281 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.169 2.419 -9.754 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.265 1.904 -11.198 1.00 0.00 H new ATOM 1039 N PHE A 70 9.289 1.234 -7.807 1.00 0.00 N ATOM 1040 CA PHE A 70 10.001 0.669 -6.653 1.00 0.00 C ATOM 1041 C PHE A 70 11.479 1.096 -6.661 1.00 0.00 C ATOM 1042 O PHE A 70 12.240 0.729 -7.567 1.00 0.00 O ATOM 1043 CB PHE A 70 9.914 -0.873 -6.646 1.00 0.00 C ATOM 1044 CG PHE A 70 8.493 -1.429 -6.542 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.714 -1.172 -5.417 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.939 -2.206 -7.556 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.435 -1.677 -5.307 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.657 -2.710 -7.444 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.908 -2.445 -6.319 1.00 0.00 C ATOM 0 H PHE A 70 8.946 0.526 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 70 9.521 1.054 -5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.374 -1.254 -7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.501 -1.253 -5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.117 -0.568 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.519 -2.418 -8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.847 -1.469 -4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.242 -3.312 -8.239 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.907 -2.840 -6.231 1.00 0.00 H new ATOM 1059 N THR A 71 11.861 1.872 -5.642 1.00 0.00 N ATOM 1060 CA THR A 71 13.219 2.381 -5.479 1.00 0.00 C ATOM 1061 C THR A 71 14.088 1.381 -4.704 1.00 0.00 C ATOM 1062 O THR A 71 15.290 1.261 -4.962 1.00 0.00 O ATOM 1063 CB THR A 71 13.177 3.758 -4.749 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.436 3.635 -3.523 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.525 4.835 -5.625 1.00 0.00 C ATOM 0 H THR A 71 11.225 2.166 -4.900 1.00 0.00 H new ATOM 0 HA THR A 71 13.666 2.515 -6.464 1.00 0.00 H new ATOM 0 HB THR A 71 14.204 4.058 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.303 4.523 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.511 5.783 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.096 4.949 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.504 4.540 -5.865 1.00 0.00 H new ATOM 1073 N ARG A 72 13.468 0.656 -3.755 1.00 0.00 N ATOM 1074 CA ARG A 72 14.167 -0.334 -2.927 1.00 0.00 C ATOM 1075 C ARG A 72 13.179 -1.419 -2.469 1.00 0.00 C ATOM 1076 O ARG A 72 12.219 -1.130 -1.764 1.00 0.00 O ATOM 1077 CB ARG A 72 14.831 0.391 -1.720 1.00 0.00 C ATOM 1078 CG ARG A 72 15.614 -0.504 -0.739 1.00 0.00 C ATOM 1079 CD ARG A 72 16.257 0.309 0.406 1.00 0.00 C ATOM 1080 NE ARG A 72 17.304 1.244 -0.066 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.206 2.589 -0.136 1.00 0.00 C ATOM 1082 NH1 ARG A 72 16.094 3.214 0.227 1.00 0.00 N ATOM 1083 NH2 ARG A 72 18.232 3.297 -0.588 1.00 0.00 N ATOM 0 H ARG A 72 12.474 0.742 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 72 14.951 -0.826 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.509 1.151 -2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.053 0.912 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.943 -1.253 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.391 -1.042 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.481 0.872 0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.691 -0.378 1.132 1.00 0.00 H new ATOM 0 HE ARG A 72 18.186 0.831 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.295 2.678 0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.038 4.231 0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.088 2.825 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.165 4.313 -0.644 1.00 0.00 H new ATOM 1097 N VAL A 73 13.431 -2.670 -2.887 1.00 0.00 N ATOM 1098 CA VAL A 73 12.615 -3.842 -2.511 1.00 0.00 C ATOM 1099 C VAL A 73 13.479 -4.771 -1.655 1.00 0.00 C ATOM 1100 O VAL A 73 14.485 -5.303 -2.139 1.00 0.00 O ATOM 1101 CB VAL A 73 12.086 -4.635 -3.774 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.164 -5.819 -3.365 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.373 -3.691 -4.769 1.00 0.00 C ATOM 0 H VAL A 73 14.212 -2.901 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 73 11.742 -3.491 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 73 12.955 -5.058 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.821 -6.339 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.720 -6.512 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.304 -5.437 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.021 -4.265 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.524 -3.217 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.071 -2.925 -5.107 1.00 0.00 H new ATOM 1113 N GLU A 74 13.104 -4.933 -0.379 1.00 0.00 N ATOM 1114 CA GLU A 74 13.752 -5.887 0.528 1.00 0.00 C ATOM 1115 C GLU A 74 12.649 -6.770 1.134 1.00 0.00 C ATOM 1116 O GLU A 74 12.111 -6.462 2.204 1.00 0.00 O ATOM 1117 CB GLU A 74 14.595 -5.142 1.624 1.00 0.00 C ATOM 1118 CG GLU A 74 15.843 -5.916 2.130 1.00 0.00 C ATOM 1119 CD GLU A 74 15.532 -7.300 2.745 1.00 0.00 C ATOM 1120 OE1 GLU A 74 15.097 -7.362 3.913 1.00 0.00 O ATOM 1121 OE2 GLU A 74 15.710 -8.332 2.058 1.00 0.00 O ATOM 0 H GLU A 74 12.344 -4.407 0.052 1.00 0.00 H new ATOM 0 HA GLU A 74 14.461 -6.514 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.920 -4.182 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.949 -4.928 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.535 -6.049 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.355 -5.308 2.876 1.00 0.00 H new ATOM 1128 N ALA A 75 12.293 -7.844 0.411 1.00 0.00 N ATOM 1129 CA ALA A 75 11.219 -8.765 0.816 1.00 0.00 C ATOM 1130 C ALA A 75 11.656 -9.640 2.011 1.00 0.00 C ATOM 1131 O ALA A 75 12.796 -10.114 2.029 1.00 0.00 O ATOM 1132 CB ALA A 75 10.801 -9.646 -0.374 1.00 0.00 C ATOM 0 H ALA A 75 12.741 -8.098 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 75 10.362 -8.171 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.006 -10.324 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.442 -9.014 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.658 -10.225 -0.717 1.00 0.00 H new ATOM 1138 N PRO A 76 10.776 -9.861 3.048 1.00 0.00 N ATOM 1139 CA PRO A 76 9.453 -9.210 3.205 1.00 0.00 C ATOM 1140 C PRO A 76 9.477 -8.023 4.197 1.00 0.00 C ATOM 1141 O PRO A 76 8.430 -7.558 4.655 1.00 0.00 O ATOM 1142 CB PRO A 76 8.623 -10.394 3.743 1.00 0.00 C ATOM 1143 CG PRO A 76 9.572 -11.172 4.616 1.00 0.00 C ATOM 1144 CD PRO A 76 10.990 -10.836 4.150 1.00 0.00 C ATOM 0 HA PRO A 76 9.071 -8.756 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.760 -10.045 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.241 -11.010 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.438 -10.905 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.383 -12.242 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.585 -10.406 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.518 -11.724 3.802 1.00 0.00 H new ATOM 1152 N THR A 77 10.691 -7.524 4.476 1.00 0.00 N ATOM 1153 CA THR A 77 10.965 -6.647 5.614 1.00 0.00 C ATOM 1154 C THR A 77 10.547 -5.185 5.354 1.00 0.00 C ATOM 1155 O THR A 77 10.134 -4.488 6.279 1.00 0.00 O ATOM 1156 CB THR A 77 12.489 -6.708 5.958 1.00 0.00 C ATOM 1157 OG1 THR A 77 12.925 -8.085 5.964 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.808 -6.072 7.321 1.00 0.00 C ATOM 0 H THR A 77 11.515 -7.723 3.909 1.00 0.00 H new ATOM 0 HA THR A 77 10.368 -7.004 6.453 1.00 0.00 H new ATOM 0 HB THR A 77 13.019 -6.138 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.679 -8.192 5.348 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.879 -6.140 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.507 -5.025 7.313 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.265 -6.600 8.105 1.00 0.00 H new ATOM 1166 N ARG A 78 10.652 -4.728 4.102 1.00 0.00 N ATOM 1167 CA ARG A 78 10.391 -3.324 3.743 1.00 0.00 C ATOM 1168 C ARG A 78 10.193 -3.175 2.230 1.00 0.00 C ATOM 1169 O ARG A 78 10.792 -3.909 1.435 1.00 0.00 O ATOM 1170 CB ARG A 78 11.559 -2.418 4.228 1.00 0.00 C ATOM 1171 CG ARG A 78 11.334 -0.899 4.036 1.00 0.00 C ATOM 1172 CD ARG A 78 12.487 -0.065 4.609 1.00 0.00 C ATOM 1173 NE ARG A 78 12.255 1.379 4.471 1.00 0.00 N ATOM 1174 CZ ARG A 78 12.957 2.351 5.086 1.00 0.00 C ATOM 1175 NH1 ARG A 78 13.975 2.060 5.888 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.648 3.619 4.862 1.00 0.00 N ATOM 0 H ARG A 78 10.918 -5.314 3.311 1.00 0.00 H new ATOM 0 HA ARG A 78 9.473 -3.009 4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.734 -2.613 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.466 -2.705 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.223 -0.681 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.402 -0.608 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.620 -0.310 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.413 -0.332 4.100 1.00 0.00 H new ATOM 0 HE ARG A 78 11.496 1.672 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.237 1.087 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.495 2.809 6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.884 3.853 4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.174 4.361 5.323 1.00 0.00 H new ATOM 1190 N LEU A 79 9.360 -2.197 1.850 1.00 0.00 N ATOM 1191 CA LEU A 79 9.079 -1.864 0.456 1.00 0.00 C ATOM 1192 C LEU A 79 9.147 -0.343 0.301 1.00 0.00 C ATOM 1193 O LEU A 79 8.509 0.380 1.051 1.00 0.00 O ATOM 1194 CB LEU A 79 7.693 -2.408 0.030 1.00 0.00 C ATOM 1195 CG LEU A 79 7.388 -2.328 -1.492 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.532 -2.960 -2.328 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.023 -2.983 -1.814 1.00 0.00 C ATOM 0 H LEU A 79 8.858 -1.609 2.515 1.00 0.00 H new ATOM 0 HA LEU A 79 9.819 -2.330 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.617 -3.449 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.923 -1.855 0.568 1.00 0.00 H new ATOM 0 HG LEU A 79 7.326 -1.276 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.290 -2.889 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.463 -2.428 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.648 -4.008 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.830 -2.915 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.043 -4.031 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.233 -2.465 -1.270 1.00 0.00 H new ATOM 1209 N SER A 80 9.940 0.126 -0.659 1.00 0.00 N ATOM 1210 CA SER A 80 10.178 1.553 -0.884 1.00 0.00 C ATOM 1211 C SER A 80 9.890 1.871 -2.353 1.00 0.00 C ATOM 1212 O SER A 80 10.371 1.165 -3.250 1.00 0.00 O ATOM 1213 CB SER A 80 11.642 1.879 -0.521 1.00 0.00 C ATOM 1214 OG SER A 80 11.913 3.267 -0.557 1.00 0.00 O ATOM 0 H SER A 80 10.441 -0.478 -1.310 1.00 0.00 H new ATOM 0 HA SER A 80 9.524 2.161 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.860 1.495 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.308 1.364 -1.213 1.00 0.00 H new ATOM 0 HG SER A 80 12.107 3.539 -1.478 1.00 0.00 H new ATOM 1220 N PHE A 81 9.082 2.916 -2.593 1.00 0.00 N ATOM 1221 CA PHE A 81 8.671 3.322 -3.937 1.00 0.00 C ATOM 1222 C PHE A 81 8.308 4.811 -3.956 1.00 0.00 C ATOM 1223 O PHE A 81 8.019 5.404 -2.927 1.00 0.00 O ATOM 1224 CB PHE A 81 7.488 2.439 -4.450 1.00 0.00 C ATOM 1225 CG PHE A 81 6.354 2.165 -3.440 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.444 1.111 -2.531 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.195 2.939 -3.417 1.00 0.00 C ATOM 1228 CE1 PHE A 81 5.424 0.845 -1.640 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.175 2.666 -2.528 1.00 0.00 C ATOM 1230 CZ PHE A 81 4.290 1.621 -1.638 1.00 0.00 C ATOM 0 H PHE A 81 8.696 3.503 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 81 9.509 3.170 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.056 2.921 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.893 1.482 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.328 0.491 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.094 3.765 -4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.517 0.025 -0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.283 3.274 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.492 1.412 -0.941 1.00 0.00 H new ATOM 1240 N VAL A 82 8.341 5.419 -5.138 1.00 0.00 N ATOM 1241 CA VAL A 82 7.882 6.802 -5.345 1.00 0.00 C ATOM 1242 C VAL A 82 6.623 6.728 -6.194 1.00 0.00 C ATOM 1243 O VAL A 82 6.617 6.008 -7.175 1.00 0.00 O ATOM 1244 CB VAL A 82 8.962 7.699 -6.072 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.471 9.162 -6.233 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.314 7.649 -5.327 1.00 0.00 C ATOM 0 H VAL A 82 8.687 4.971 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 82 7.698 7.267 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 82 9.110 7.290 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.238 9.750 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.556 9.176 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.273 9.590 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.040 8.274 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.182 8.016 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.676 6.621 -5.298 1.00 0.00 H new ATOM 1256 N MET A 83 5.569 7.445 -5.805 1.00 0.00 N ATOM 1257 CA MET A 83 4.334 7.563 -6.591 1.00 0.00 C ATOM 1258 C MET A 83 4.562 8.605 -7.711 1.00 0.00 C ATOM 1259 O MET A 83 5.262 9.603 -7.499 1.00 0.00 O ATOM 1260 CB MET A 83 3.168 7.965 -5.654 1.00 0.00 C ATOM 1261 CG MET A 83 1.776 7.976 -6.299 1.00 0.00 C ATOM 1262 SD MET A 83 0.473 8.439 -5.127 1.00 0.00 S ATOM 1263 CE MET A 83 -0.990 8.332 -6.157 1.00 0.00 C ATOM 0 H MET A 83 5.545 7.966 -4.928 1.00 0.00 H new ATOM 0 HA MET A 83 4.071 6.612 -7.055 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.152 7.278 -4.808 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.372 8.958 -5.254 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.772 8.674 -7.136 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.560 6.988 -6.706 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.848 8.725 -5.612 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.839 8.915 -7.066 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.174 7.290 -6.421 1.00 0.00 H new ATOM 1273 N ASP A 84 3.964 8.369 -8.896 1.00 0.00 N ATOM 1274 CA ASP A 84 4.233 9.159 -10.133 1.00 0.00 C ATOM 1275 C ASP A 84 3.788 10.638 -10.058 1.00 0.00 C ATOM 1276 O ASP A 84 4.093 11.412 -10.972 1.00 0.00 O ATOM 1277 CB ASP A 84 3.580 8.468 -11.372 1.00 0.00 C ATOM 1278 CG ASP A 84 4.320 7.220 -11.901 1.00 0.00 C ATOM 1279 OD1 ASP A 84 5.303 6.757 -11.286 1.00 0.00 O ATOM 1280 OD2 ASP A 84 3.919 6.703 -12.960 1.00 0.00 O ATOM 0 H ASP A 84 3.278 7.626 -9.031 1.00 0.00 H new ATOM 0 HA ASP A 84 5.318 9.178 -10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.561 8.182 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.510 9.198 -12.179 1.00 0.00 H new ATOM 1285 N ASP A 85 3.079 11.033 -8.981 1.00 0.00 N ATOM 1286 CA ASP A 85 2.666 12.442 -8.770 1.00 0.00 C ATOM 1287 C ASP A 85 3.807 13.267 -8.114 1.00 0.00 C ATOM 1288 O ASP A 85 3.644 14.463 -7.844 1.00 0.00 O ATOM 1289 CB ASP A 85 1.369 12.509 -7.924 1.00 0.00 C ATOM 1290 CG ASP A 85 1.583 12.315 -6.407 1.00 0.00 C ATOM 1291 OD1 ASP A 85 2.244 11.340 -5.992 1.00 0.00 O ATOM 1292 OD2 ASP A 85 1.071 13.143 -5.622 1.00 0.00 O ATOM 0 H ASP A 85 2.779 10.398 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 85 2.458 12.885 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.891 13.475 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.678 11.746 -8.281 1.00 0.00 H new ATOM 1297 N GLY A 86 4.960 12.608 -7.873 1.00 0.00 N ATOM 1298 CA GLY A 86 6.153 13.240 -7.301 1.00 0.00 C ATOM 1299 C GLY A 86 6.421 12.830 -5.855 1.00 0.00 C ATOM 1300 O GLY A 86 7.559 12.931 -5.384 1.00 0.00 O ATOM 0 H GLY A 86 5.083 11.616 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.019 12.983 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.040 14.323 -7.349 1.00 0.00 H new ATOM 1304 N ARG A 87 5.370 12.363 -5.148 1.00 0.00 N ATOM 1305 CA ARG A 87 5.466 11.995 -3.714 1.00 0.00 C ATOM 1306 C ARG A 87 6.136 10.631 -3.530 1.00 0.00 C ATOM 1307 O ARG A 87 5.923 9.737 -4.324 1.00 0.00 O ATOM 1308 CB ARG A 87 4.069 11.953 -3.062 1.00 0.00 C ATOM 1309 CG ARG A 87 3.333 13.300 -3.017 1.00 0.00 C ATOM 1310 CD ARG A 87 1.984 13.172 -2.304 1.00 0.00 C ATOM 1311 NE ARG A 87 1.154 12.099 -2.886 1.00 0.00 N ATOM 1312 CZ ARG A 87 0.281 11.333 -2.215 1.00 0.00 C ATOM 1313 NH1 ARG A 87 0.085 11.497 -0.906 1.00 0.00 N ATOM 1314 NH2 ARG A 87 -0.396 10.404 -2.867 1.00 0.00 N ATOM 0 H ARG A 87 4.440 12.231 -5.547 1.00 0.00 H new ATOM 0 HA ARG A 87 6.074 12.760 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.452 11.237 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.171 11.578 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.950 14.037 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.177 13.666 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.150 12.969 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.449 14.120 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 87 1.253 11.925 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.603 12.214 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.583 10.905 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.252 10.276 -3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.063 9.815 -2.369 1.00 0.00 H new ATOM 1328 N GLU A 88 6.939 10.489 -2.461 1.00 0.00 N ATOM 1329 CA GLU A 88 7.536 9.197 -2.072 1.00 0.00 C ATOM 1330 C GLU A 88 6.621 8.483 -1.066 1.00 0.00 C ATOM 1331 O GLU A 88 6.082 9.120 -0.151 1.00 0.00 O ATOM 1332 CB GLU A 88 8.931 9.395 -1.443 1.00 0.00 C ATOM 1333 CG GLU A 88 9.963 10.074 -2.351 1.00 0.00 C ATOM 1334 CD GLU A 88 11.344 10.178 -1.680 1.00 0.00 C ATOM 1335 OE1 GLU A 88 12.144 9.222 -1.784 1.00 0.00 O ATOM 1336 OE2 GLU A 88 11.620 11.192 -1.010 1.00 0.00 O ATOM 0 H GLU A 88 7.192 11.261 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 88 7.644 8.590 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.822 9.989 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.319 8.422 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.053 9.512 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.612 11.072 -2.615 1.00 0.00 H new ATOM 1343 N VAL A 89 6.439 7.165 -1.263 1.00 0.00 N ATOM 1344 CA VAL A 89 5.640 6.301 -0.370 1.00 0.00 C ATOM 1345 C VAL A 89 6.461 5.042 0.011 1.00 0.00 C ATOM 1346 O VAL A 89 6.839 4.258 -0.856 1.00 0.00 O ATOM 1347 CB VAL A 89 4.286 5.848 -1.047 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.398 5.060 -0.041 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.513 7.048 -1.664 1.00 0.00 C ATOM 0 H VAL A 89 6.845 6.664 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 89 5.399 6.882 0.520 1.00 0.00 H new ATOM 0 HB VAL A 89 4.542 5.179 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.472 4.759 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.933 4.173 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.166 5.695 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.589 6.691 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.277 7.770 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.130 7.526 -2.425 1.00 0.00 H new ATOM 1359 N ASP A 90 6.714 4.845 1.306 1.00 0.00 N ATOM 1360 CA ASP A 90 7.517 3.720 1.814 1.00 0.00 C ATOM 1361 C ASP A 90 6.706 2.978 2.887 1.00 0.00 C ATOM 1362 O ASP A 90 6.194 3.593 3.814 1.00 0.00 O ATOM 1363 CB ASP A 90 8.846 4.254 2.411 1.00 0.00 C ATOM 1364 CG ASP A 90 9.895 3.168 2.745 1.00 0.00 C ATOM 1365 OD1 ASP A 90 9.580 2.194 3.454 1.00 0.00 O ATOM 1366 OD2 ASP A 90 11.066 3.317 2.349 1.00 0.00 O ATOM 0 H ASP A 90 6.368 5.463 2.040 1.00 0.00 H new ATOM 0 HA ASP A 90 7.755 3.033 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.286 4.959 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.620 4.812 3.320 1.00 0.00 H new ATOM 1371 N VAL A 91 6.621 1.649 2.760 1.00 0.00 N ATOM 1372 CA VAL A 91 5.898 0.778 3.695 1.00 0.00 C ATOM 1373 C VAL A 91 6.897 -0.208 4.356 1.00 0.00 C ATOM 1374 O VAL A 91 7.429 -1.097 3.690 1.00 0.00 O ATOM 1375 CB VAL A 91 4.749 -0.006 2.950 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.871 -0.808 3.940 1.00 0.00 C ATOM 1377 CG2 VAL A 91 3.890 0.954 2.086 1.00 0.00 C ATOM 0 H VAL A 91 7.059 1.140 1.993 1.00 0.00 H new ATOM 0 HA VAL A 91 5.435 1.389 4.470 1.00 0.00 H new ATOM 0 HB VAL A 91 5.222 -0.725 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.091 -1.335 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.490 -1.530 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.413 -0.125 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.106 0.388 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.438 1.712 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.522 1.437 1.341 1.00 0.00 H new ATOM 1387 N GLN A 92 7.151 -0.030 5.666 1.00 0.00 N ATOM 1388 CA GLN A 92 8.093 -0.859 6.441 1.00 0.00 C ATOM 1389 C GLN A 92 7.303 -1.938 7.206 1.00 0.00 C ATOM 1390 O GLN A 92 6.435 -1.613 8.004 1.00 0.00 O ATOM 1391 CB GLN A 92 8.900 -0.003 7.481 1.00 0.00 C ATOM 1392 CG GLN A 92 9.586 1.285 6.955 1.00 0.00 C ATOM 1393 CD GLN A 92 8.667 2.520 6.942 1.00 0.00 C ATOM 1394 OE1 GLN A 92 8.570 3.250 7.927 1.00 0.00 O ATOM 1395 NE2 GLN A 92 8.024 2.785 5.824 1.00 0.00 N ATOM 0 H GLN A 92 6.704 0.700 6.221 1.00 0.00 H new ATOM 0 HA GLN A 92 8.797 -1.309 5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.221 0.280 8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.668 -0.640 7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.458 1.499 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.950 1.104 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.121 2.164 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.429 3.611 5.761 1.00 0.00 H new ATOM 1404 N PHE A 93 7.625 -3.217 6.976 1.00 0.00 N ATOM 1405 CA PHE A 93 6.929 -4.358 7.607 1.00 0.00 C ATOM 1406 C PHE A 93 7.823 -4.885 8.742 1.00 0.00 C ATOM 1407 O PHE A 93 8.820 -5.572 8.492 1.00 0.00 O ATOM 1408 CB PHE A 93 6.668 -5.483 6.566 1.00 0.00 C ATOM 1409 CG PHE A 93 5.814 -5.081 5.350 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.356 -4.342 4.294 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.474 -5.461 5.256 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.589 -4.006 3.191 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.708 -5.122 4.153 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.265 -4.395 3.122 1.00 0.00 C ATOM 0 H PHE A 93 8.377 -3.496 6.346 1.00 0.00 H new ATOM 0 HA PHE A 93 5.964 -4.037 7.998 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.629 -5.850 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.178 -6.315 7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.388 -4.028 4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.027 -6.030 6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.027 -3.439 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.673 -5.427 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.667 -4.130 2.262 1.00 0.00 H new ATOM 1424 N ALA A 94 7.498 -4.512 9.985 1.00 0.00 N ATOM 1425 CA ALA A 94 8.354 -4.768 11.151 1.00 0.00 C ATOM 1426 C ALA A 94 7.748 -5.859 12.033 1.00 0.00 C ATOM 1427 O ALA A 94 6.778 -5.603 12.736 1.00 0.00 O ATOM 1428 CB ALA A 94 8.545 -3.475 11.948 1.00 0.00 C ATOM 0 H ALA A 94 6.632 -4.023 10.212 1.00 0.00 H new ATOM 0 HA ALA A 94 9.327 -5.115 10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.181 -3.670 12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.015 -2.723 11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.575 -3.110 12.286 1.00 0.00 H new ATOM 1434 N SER A 95 8.331 -7.070 11.989 1.00 0.00 N ATOM 1435 CA SER A 95 7.888 -8.217 12.801 1.00 0.00 C ATOM 1436 C SER A 95 7.901 -7.869 14.310 1.00 0.00 C ATOM 1437 O SER A 95 8.839 -7.235 14.800 1.00 0.00 O ATOM 1438 CB SER A 95 8.790 -9.434 12.524 1.00 0.00 C ATOM 1439 OG SER A 95 8.425 -10.532 13.337 1.00 0.00 O ATOM 0 H SER A 95 9.126 -7.281 11.386 1.00 0.00 H new ATOM 0 HA SER A 95 6.863 -8.461 12.522 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.715 -9.714 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.831 -9.169 12.710 1.00 0.00 H new ATOM 0 HG SER A 95 9.011 -11.293 13.142 1.00 0.00 H new ATOM 1445 N GLU A 96 6.834 -8.269 15.019 1.00 0.00 N ATOM 1446 CA GLU A 96 6.639 -7.978 16.448 1.00 0.00 C ATOM 1447 C GLU A 96 6.161 -9.252 17.184 1.00 0.00 C ATOM 1448 O GLU A 96 5.701 -10.205 16.538 1.00 0.00 O ATOM 1449 CB GLU A 96 5.589 -6.838 16.611 1.00 0.00 C ATOM 1450 CG GLU A 96 4.169 -7.206 16.133 1.00 0.00 C ATOM 1451 CD GLU A 96 3.117 -6.102 16.303 1.00 0.00 C ATOM 1452 OE1 GLU A 96 3.181 -5.361 17.299 1.00 0.00 O ATOM 1453 OE2 GLU A 96 2.204 -5.987 15.454 1.00 0.00 O ATOM 0 H GLU A 96 6.072 -8.811 14.611 1.00 0.00 H new ATOM 0 HA GLU A 96 7.585 -7.656 16.883 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.543 -6.551 17.662 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.931 -5.964 16.057 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.217 -7.481 15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.837 -8.090 16.678 1.00 0.00 H new ATOM 1460 N PRO A 97 6.279 -9.304 18.556 1.00 0.00 N ATOM 1461 CA PRO A 97 5.605 -10.338 19.363 1.00 0.00 C ATOM 1462 C PRO A 97 4.065 -10.218 19.235 1.00 0.00 C ATOM 1463 O PRO A 97 3.463 -9.275 19.766 1.00 0.00 O ATOM 1464 CB PRO A 97 6.107 -10.066 20.815 1.00 0.00 C ATOM 1465 CG PRO A 97 6.599 -8.651 20.803 1.00 0.00 C ATOM 1466 CD PRO A 97 7.117 -8.409 19.403 1.00 0.00 C ATOM 0 HA PRO A 97 5.834 -11.354 19.042 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.304 -10.197 21.540 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.903 -10.757 21.092 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.797 -7.956 21.049 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.386 -8.504 21.542 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.008 -7.364 19.111 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.176 -8.655 19.320 1.00 0.00 H new ATOM 1474 N GLY A 98 3.454 -11.135 18.457 1.00 0.00 N ATOM 1475 CA GLY A 98 2.000 -11.185 18.287 1.00 0.00 C ATOM 1476 C GLY A 98 1.536 -10.961 16.849 1.00 0.00 C ATOM 1477 O GLY A 98 0.372 -11.238 16.532 1.00 0.00 O ATOM 0 H GLY A 98 3.956 -11.853 17.936 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.637 -12.155 18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.543 -10.430 18.927 1.00 0.00 H new ATOM 1481 N GLY A 99 2.434 -10.473 15.965 1.00 0.00 N ATOM 1482 CA GLY A 99 2.063 -10.200 14.570 1.00 0.00 C ATOM 1483 C GLY A 99 3.174 -9.538 13.762 1.00 0.00 C ATOM 1484 O GLY A 99 4.356 -9.826 13.963 1.00 0.00 O ATOM 0 H GLY A 99 3.406 -10.264 16.194 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.782 -11.136 14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.182 -9.558 14.556 1.00 0.00 H new ATOM 1488 N THR A 100 2.779 -8.620 12.870 1.00 0.00 N ATOM 1489 CA THR A 100 3.675 -7.831 12.024 1.00 0.00 C ATOM 1490 C THR A 100 3.212 -6.372 12.076 1.00 0.00 C ATOM 1491 O THR A 100 2.123 -6.039 11.589 1.00 0.00 O ATOM 1492 CB THR A 100 3.667 -8.327 10.540 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.981 -9.719 10.498 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.674 -7.548 9.665 1.00 0.00 C ATOM 0 H THR A 100 1.795 -8.401 12.715 1.00 0.00 H new ATOM 0 HA THR A 100 4.694 -7.938 12.397 1.00 0.00 H new ATOM 0 HB THR A 100 2.669 -8.152 10.139 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.158 -10.243 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.635 -7.925 8.643 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.418 -6.489 9.671 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.680 -7.680 10.063 1.00 0.00 H new ATOM 1502 N TRP A 101 4.028 -5.520 12.689 1.00 0.00 N ATOM 1503 CA TRP A 101 3.747 -4.095 12.805 1.00 0.00 C ATOM 1504 C TRP A 101 4.177 -3.386 11.516 1.00 0.00 C ATOM 1505 O TRP A 101 5.350 -3.055 11.325 1.00 0.00 O ATOM 1506 CB TRP A 101 4.473 -3.509 14.031 1.00 0.00 C ATOM 1507 CG TRP A 101 4.107 -2.086 14.350 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.878 -1.508 14.215 1.00 0.00 C ATOM 1509 CD2 TRP A 101 4.975 -1.071 14.870 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.925 -0.217 14.635 1.00 0.00 N ATOM 1511 CE2 TRP A 101 4.197 0.081 15.040 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.329 -1.027 15.215 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.717 1.261 15.538 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.848 0.151 15.712 1.00 0.00 C ATOM 1515 CH2 TRP A 101 6.044 1.282 15.871 1.00 0.00 C ATOM 0 H TRP A 101 4.908 -5.802 13.121 1.00 0.00 H new ATOM 0 HA TRP A 101 2.677 -3.942 12.946 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.254 -4.131 14.899 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.548 -3.565 13.862 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.999 -2.004 13.831 1.00 0.00 H new ATOM 0 HE1 TRP A 101 2.136 0.429 14.647 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.956 -1.898 15.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 4.097 2.137 15.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.893 0.199 15.982 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.478 2.190 16.264 1.00 0.00 H new ATOM 1526 N VAL A 102 3.208 -3.175 10.634 1.00 0.00 N ATOM 1527 CA VAL A 102 3.414 -2.511 9.352 1.00 0.00 C ATOM 1528 C VAL A 102 3.267 -1.002 9.548 1.00 0.00 C ATOM 1529 O VAL A 102 2.412 -0.557 10.296 1.00 0.00 O ATOM 1530 CB VAL A 102 2.371 -3.030 8.291 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.573 -2.370 6.908 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.410 -4.577 8.187 1.00 0.00 C ATOM 0 H VAL A 102 2.243 -3.464 10.791 1.00 0.00 H new ATOM 0 HA VAL A 102 4.414 -2.736 8.981 1.00 0.00 H new ATOM 0 HB VAL A 102 1.381 -2.738 8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.832 -2.757 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.456 -1.290 7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.574 -2.596 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.681 -4.910 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.407 -4.896 7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.169 -5.013 9.157 1.00 0.00 H new ATOM 1542 N GLN A 103 4.130 -0.233 8.890 1.00 0.00 N ATOM 1543 CA GLN A 103 4.122 1.229 8.912 1.00 0.00 C ATOM 1544 C GLN A 103 4.175 1.738 7.478 1.00 0.00 C ATOM 1545 O GLN A 103 5.221 1.692 6.837 1.00 0.00 O ATOM 1546 CB GLN A 103 5.321 1.798 9.727 1.00 0.00 C ATOM 1547 CG GLN A 103 5.193 1.670 11.250 1.00 0.00 C ATOM 1548 CD GLN A 103 6.374 2.282 12.013 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.507 2.273 11.540 1.00 0.00 O ATOM 1550 NE2 GLN A 103 6.111 2.878 13.162 1.00 0.00 N ATOM 0 H GLN A 103 4.875 -0.619 8.310 1.00 0.00 H new ATOM 0 HA GLN A 103 3.208 1.568 9.401 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.230 1.287 9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.443 2.852 9.476 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.271 2.155 11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.107 0.616 11.513 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.161 2.872 13.534 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.858 3.345 13.677 1.00 0.00 H new ATOM 1559 N GLU A 104 3.045 2.232 6.984 1.00 0.00 N ATOM 1560 CA GLU A 104 2.970 2.863 5.663 1.00 0.00 C ATOM 1561 C GLU A 104 3.272 4.349 5.834 1.00 0.00 C ATOM 1562 O GLU A 104 2.836 4.965 6.790 1.00 0.00 O ATOM 1563 CB GLU A 104 1.575 2.620 5.047 1.00 0.00 C ATOM 1564 CG GLU A 104 1.289 3.374 3.735 1.00 0.00 C ATOM 1565 CD GLU A 104 -0.021 2.918 3.066 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -1.115 3.320 3.525 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.046 2.145 2.092 1.00 0.00 O ATOM 0 H GLU A 104 2.156 2.209 7.483 1.00 0.00 H new ATOM 0 HA GLU A 104 3.700 2.432 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.459 1.552 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.819 2.902 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.236 4.444 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.118 3.222 3.044 1.00 0.00 H new ATOM 1574 N THR A 105 4.069 4.905 4.944 1.00 0.00 N ATOM 1575 CA THR A 105 4.469 6.304 5.004 1.00 0.00 C ATOM 1576 C THR A 105 4.317 6.890 3.619 1.00 0.00 C ATOM 1577 O THR A 105 4.677 6.249 2.649 1.00 0.00 O ATOM 1578 CB THR A 105 5.949 6.451 5.501 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.109 5.773 6.760 1.00 0.00 O ATOM 1580 CG2 THR A 105 6.369 7.923 5.667 1.00 0.00 C ATOM 0 H THR A 105 4.462 4.398 4.151 1.00 0.00 H new ATOM 0 HA THR A 105 3.838 6.836 5.715 1.00 0.00 H new ATOM 0 HB THR A 105 6.589 6.004 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.035 5.866 7.066 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.402 7.970 6.013 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.283 8.436 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.720 8.407 6.397 1.00 0.00 H new ATOM 1588 N PHE A 106 3.766 8.086 3.535 1.00 0.00 N ATOM 1589 CA PHE A 106 3.550 8.781 2.269 1.00 0.00 C ATOM 1590 C PHE A 106 3.816 10.266 2.488 1.00 0.00 C ATOM 1591 O PHE A 106 3.584 10.784 3.580 1.00 0.00 O ATOM 1592 CB PHE A 106 2.104 8.541 1.738 1.00 0.00 C ATOM 1593 CG PHE A 106 0.986 9.013 2.685 1.00 0.00 C ATOM 1594 CD1 PHE A 106 0.651 8.269 3.821 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.291 10.197 2.447 1.00 0.00 C ATOM 1596 CE1 PHE A 106 -0.340 8.699 4.679 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.696 10.622 3.307 1.00 0.00 C ATOM 1598 CZ PHE A 106 -1.013 9.874 4.420 1.00 0.00 C ATOM 0 H PHE A 106 3.451 8.613 4.350 1.00 0.00 H new ATOM 0 HA PHE A 106 4.233 8.393 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.993 9.053 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.974 7.476 1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.174 7.347 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.530 10.789 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.588 8.115 5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.223 11.544 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.790 10.209 5.091 1.00 0.00 H new ATOM 1608 N ASP A 107 4.321 10.936 1.453 1.00 0.00 N ATOM 1609 CA ASP A 107 4.479 12.394 1.466 1.00 0.00 C ATOM 1610 C ASP A 107 3.080 13.040 1.350 1.00 0.00 C ATOM 1611 O ASP A 107 2.165 12.432 0.782 1.00 0.00 O ATOM 1612 CB ASP A 107 5.428 12.839 0.326 1.00 0.00 C ATOM 1613 CG ASP A 107 5.801 14.325 0.398 1.00 0.00 C ATOM 1614 OD1 ASP A 107 6.697 14.683 1.192 1.00 0.00 O ATOM 1615 OD2 ASP A 107 5.204 15.149 -0.334 1.00 0.00 O ATOM 0 H ASP A 107 4.630 10.491 0.589 1.00 0.00 H new ATOM 0 HA ASP A 107 4.935 12.723 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.338 12.240 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.953 12.636 -0.634 1.00 0.00 H new ATOM 1620 N ALA A 108 2.903 14.236 1.914 1.00 0.00 N ATOM 1621 CA ALA A 108 1.602 14.922 1.934 1.00 0.00 C ATOM 1622 C ALA A 108 1.366 15.637 0.594 1.00 0.00 C ATOM 1623 O ALA A 108 2.254 16.314 0.075 1.00 0.00 O ATOM 1624 CB ALA A 108 1.527 15.904 3.116 1.00 0.00 C ATOM 0 H ALA A 108 3.652 14.758 2.369 1.00 0.00 H new ATOM 0 HA ALA A 108 0.812 14.184 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.557 16.402 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.653 15.358 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.317 16.649 3.021 1.00 0.00 H new ATOM 1630 N GLU A 109 0.177 15.425 0.018 1.00 0.00 N ATOM 1631 CA GLU A 109 -0.247 16.051 -1.248 1.00 0.00 C ATOM 1632 C GLU A 109 -0.838 17.434 -0.923 1.00 0.00 C ATOM 1633 O GLU A 109 -1.711 17.553 -0.060 1.00 0.00 O ATOM 1634 CB GLU A 109 -1.264 15.115 -1.978 1.00 0.00 C ATOM 1635 CG GLU A 109 -1.320 15.246 -3.512 1.00 0.00 C ATOM 1636 CD GLU A 109 -1.883 16.584 -4.016 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -3.113 16.725 -4.066 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -1.094 17.500 -4.340 1.00 0.00 O ATOM 0 H GLU A 109 -0.529 14.808 0.419 1.00 0.00 H new ATOM 0 HA GLU A 109 0.594 16.191 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.020 14.082 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.259 15.312 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.315 15.115 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.930 14.436 -3.911 1.00 0.00 H new ATOM 1645 N THR A 110 -0.363 18.467 -1.632 1.00 0.00 N ATOM 1646 CA THR A 110 -0.607 19.875 -1.267 1.00 0.00 C ATOM 1647 C THR A 110 -2.059 20.335 -1.540 1.00 0.00 C ATOM 1648 O THR A 110 -2.506 21.328 -0.959 1.00 0.00 O ATOM 1649 CB THR A 110 0.415 20.813 -1.994 1.00 0.00 C ATOM 1650 OG1 THR A 110 0.333 22.149 -1.471 1.00 0.00 O ATOM 1651 CG2 THR A 110 0.192 20.845 -3.521 1.00 0.00 C ATOM 0 H THR A 110 0.201 18.354 -2.474 1.00 0.00 H new ATOM 0 HA THR A 110 -0.461 19.946 -0.189 1.00 0.00 H new ATOM 0 HB THR A 110 1.408 20.404 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.580 22.324 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.924 21.508 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.307 19.840 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.813 21.209 -3.734 1.00 0.00 H new ATOM 1659 N SER A 111 -2.800 19.617 -2.411 1.00 0.00 N ATOM 1660 CA SER A 111 -4.197 19.980 -2.748 1.00 0.00 C ATOM 1661 C SER A 111 -5.213 19.298 -1.799 1.00 0.00 C ATOM 1662 O SER A 111 -6.405 19.612 -1.849 1.00 0.00 O ATOM 1663 CB SER A 111 -4.498 19.646 -4.230 1.00 0.00 C ATOM 1664 OG SER A 111 -5.789 20.083 -4.627 1.00 0.00 O ATOM 0 H SER A 111 -2.458 18.786 -2.893 1.00 0.00 H new ATOM 0 HA SER A 111 -4.307 21.055 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.746 20.114 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.418 18.570 -4.381 1.00 0.00 H new ATOM 0 HG SER A 111 -6.347 20.219 -3.833 1.00 0.00 H new ATOM 1670 N HIS A 112 -4.749 18.372 -0.929 1.00 0.00 N ATOM 1671 CA HIS A 112 -5.612 17.722 0.100 1.00 0.00 C ATOM 1672 C HIS A 112 -5.056 17.997 1.505 1.00 0.00 C ATOM 1673 O HIS A 112 -3.849 18.179 1.678 1.00 0.00 O ATOM 1674 CB HIS A 112 -5.712 16.195 -0.117 1.00 0.00 C ATOM 1675 CG HIS A 112 -6.399 15.778 -1.389 1.00 0.00 C ATOM 1676 ND1 HIS A 112 -7.668 15.239 -1.421 1.00 0.00 N ATOM 1677 CD2 HIS A 112 -5.971 15.788 -2.671 1.00 0.00 C ATOM 1678 CE1 HIS A 112 -7.986 14.939 -2.665 1.00 0.00 C ATOM 1679 NE2 HIS A 112 -6.975 15.264 -3.442 1.00 0.00 N ATOM 0 H HIS A 112 -3.780 18.053 -0.914 1.00 0.00 H new ATOM 0 HA HIS A 112 -6.611 18.148 0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -4.706 15.775 -0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -6.245 15.757 0.727 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -5.014 16.144 -3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.918 14.501 -2.991 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -6.944 15.145 -4.455 1.00 0.00 H new ATOM 1688 N THR A 113 -5.950 17.999 2.511 1.00 0.00 N ATOM 1689 CA THR A 113 -5.576 18.226 3.910 1.00 0.00 C ATOM 1690 C THR A 113 -4.801 17.002 4.454 1.00 0.00 C ATOM 1691 O THR A 113 -5.190 15.862 4.158 1.00 0.00 O ATOM 1692 CB THR A 113 -6.845 18.508 4.785 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.803 17.463 4.595 1.00 0.00 O ATOM 1694 CG2 THR A 113 -7.495 19.855 4.440 1.00 0.00 C ATOM 0 H THR A 113 -6.948 17.843 2.372 1.00 0.00 H new ATOM 0 HA THR A 113 -4.930 19.103 3.961 1.00 0.00 H new ATOM 0 HB THR A 113 -6.523 18.545 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.595 17.641 5.145 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.371 20.009 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.779 20.659 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.798 19.855 3.393 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.666 17.225 5.208 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.832 16.132 5.764 1.00 0.00 C ATOM 1704 C PRO A 114 -3.628 15.121 6.623 1.00 0.00 C ATOM 1705 O PRO A 114 -3.411 13.916 6.504 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.770 16.885 6.608 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.680 18.235 5.981 1.00 0.00 C ATOM 1708 CD PRO A 114 -3.088 18.558 5.541 1.00 0.00 C ATOM 0 HA PRO A 114 -2.405 15.513 4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.070 16.953 7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.809 16.372 6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.309 18.975 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.993 18.232 5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.652 19.053 6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.096 19.225 4.679 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.534 15.631 7.483 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.399 14.790 8.345 1.00 0.00 C ATOM 1718 C ALA A 115 -6.279 13.825 7.517 1.00 0.00 C ATOM 1719 O ALA A 115 -6.333 12.625 7.803 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.274 15.669 9.257 1.00 0.00 C ATOM 0 H ALA A 115 -4.688 16.632 7.601 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.743 14.181 8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.902 15.033 9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.635 16.284 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.905 16.313 8.645 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.953 14.364 6.484 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.867 13.573 5.629 1.00 0.00 C ATOM 1728 C GLN A 116 -7.093 12.497 4.851 1.00 0.00 C ATOM 1729 O GLN A 116 -7.558 11.362 4.712 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.623 14.492 4.645 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.728 13.785 3.839 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.381 14.691 2.803 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -11.350 15.391 3.088 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.858 14.677 1.588 1.00 0.00 N ATOM 0 H GLN A 116 -6.883 15.346 6.218 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.591 13.081 6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.068 15.315 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.906 14.929 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.304 12.915 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.491 13.417 4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.053 14.084 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.259 15.259 0.853 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.900 12.874 4.367 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.986 11.960 3.664 1.00 0.00 C ATOM 1745 C GLN A 117 -4.539 10.822 4.579 1.00 0.00 C ATOM 1746 O GLN A 117 -4.512 9.666 4.164 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.753 12.717 3.140 1.00 0.00 C ATOM 1748 CG GLN A 117 -4.034 13.612 1.935 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.775 14.285 1.423 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -2.036 13.690 0.653 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.531 15.524 1.822 1.00 0.00 N ATOM 0 H GLN A 117 -5.540 13.825 4.452 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.529 11.538 2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -3.346 13.328 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.984 11.993 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.478 13.017 1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.765 14.372 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.172 15.988 2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.702 16.014 1.485 1.00 0.00 H new ATOM 1760 N GLN A 118 -4.187 11.179 5.819 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.759 10.227 6.850 1.00 0.00 C ATOM 1762 C GLN A 118 -4.849 9.176 7.081 1.00 0.00 C ATOM 1763 O GLN A 118 -4.567 7.990 7.144 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.437 10.976 8.169 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.839 10.086 9.263 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.561 10.832 10.562 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -1.496 11.413 10.738 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -3.500 10.795 11.495 1.00 0.00 N ATOM 0 H GLN A 118 -4.191 12.148 6.138 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.855 9.721 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.740 11.786 7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.351 11.434 8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.523 9.261 9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.910 9.648 8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.376 10.303 11.318 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -3.347 11.258 12.391 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.100 9.654 7.146 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.290 8.811 7.357 1.00 0.00 C ATOM 1779 C ALA A 119 -7.612 7.962 6.111 1.00 0.00 C ATOM 1780 O ALA A 119 -8.120 6.842 6.231 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.487 9.700 7.746 1.00 0.00 C ATOM 0 H ALA A 119 -6.318 10.646 7.053 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.083 8.115 8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.368 9.077 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.256 10.239 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.685 10.414 6.946 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.309 8.510 4.918 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.605 7.847 3.643 1.00 0.00 C ATOM 1789 C GLY A 120 -6.697 6.655 3.387 1.00 0.00 C ATOM 1790 O GLY A 120 -7.159 5.566 3.039 1.00 0.00 O ATOM 0 H GLY A 120 -6.856 9.418 4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.644 7.517 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.497 8.564 2.830 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.390 6.871 3.576 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.365 5.820 3.433 1.00 0.00 C ATOM 1796 C TRP A 121 -4.454 4.817 4.578 1.00 0.00 C ATOM 1797 O TRP A 121 -4.250 3.630 4.366 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.955 6.442 3.368 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.662 7.163 2.078 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -3.210 8.334 1.644 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.740 6.753 1.059 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.693 8.670 0.426 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.786 7.719 0.043 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.885 5.663 0.912 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -1.008 7.633 -1.106 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -0.111 5.575 -0.226 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -0.176 6.555 -1.223 1.00 0.00 C ATOM 0 H TRP A 121 -5.008 7.781 3.833 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.551 5.289 2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.839 7.140 4.197 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.215 5.654 3.508 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.945 8.911 2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.943 9.499 -0.113 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.829 4.901 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -1.059 8.389 -1.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.557 4.735 -0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.444 6.458 -2.102 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.761 5.311 5.793 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.023 4.436 6.959 1.00 0.00 C ATOM 1820 C GLN A 122 -6.291 3.617 6.719 1.00 0.00 C ATOM 1821 O GLN A 122 -6.437 2.536 7.264 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.137 5.255 8.273 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.369 4.425 9.559 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.304 3.350 9.837 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -4.609 2.298 10.410 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -3.051 3.608 9.474 1.00 0.00 N ATOM 0 H GLN A 122 -4.834 6.308 5.995 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.177 3.758 7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.224 5.838 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.957 5.966 8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.409 5.105 10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.343 3.941 9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.827 4.484 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.314 2.930 9.667 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.208 4.164 5.913 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.372 3.427 5.447 1.00 0.00 C ATOM 1837 C GLY A 123 -7.975 2.199 4.636 1.00 0.00 C ATOM 1838 O GLY A 123 -8.501 1.114 4.855 1.00 0.00 O ATOM 0 H GLY A 123 -7.159 5.124 5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.974 3.119 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.996 4.080 4.837 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.010 2.390 3.720 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.508 1.326 2.819 1.00 0.00 C ATOM 1844 C ILE A 124 -5.657 0.306 3.596 1.00 0.00 C ATOM 1845 O ILE A 124 -5.770 -0.894 3.369 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.650 1.950 1.651 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.450 3.070 0.912 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -5.184 0.860 0.647 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.657 3.824 -0.145 1.00 0.00 C ATOM 0 H ILE A 124 -6.551 3.290 3.579 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.371 0.813 2.395 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.761 2.397 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.325 2.622 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.816 3.784 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.595 1.323 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.574 0.122 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.055 0.369 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.292 4.581 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.797 4.306 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.313 3.126 -0.909 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.821 0.812 4.518 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.855 0.003 5.285 1.00 0.00 C ATOM 1863 C LEU A 125 -4.567 -0.823 6.373 1.00 0.00 C ATOM 1864 O LEU A 125 -4.172 -1.953 6.654 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.765 0.915 5.919 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.593 0.173 6.643 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.737 -0.652 5.645 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.726 1.157 7.468 1.00 0.00 C ATOM 0 H LEU A 125 -4.795 1.804 4.755 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.372 -0.691 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.343 1.543 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.247 1.580 6.636 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.036 -0.534 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.067 -1.153 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.365 -1.396 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.311 0.014 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.079 0.610 7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.301 1.911 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.345 1.644 8.222 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.590 -0.224 7.008 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.461 -0.922 7.986 1.00 0.00 C ATOM 1882 C ASP A 126 -7.388 -1.914 7.267 1.00 0.00 C ATOM 1883 O ASP A 126 -7.701 -2.963 7.808 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.292 0.084 8.820 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.122 -0.574 9.945 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -7.532 -0.967 10.975 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.363 -0.674 9.815 1.00 0.00 O ATOM 0 H ASP A 126 -5.840 0.754 6.862 1.00 0.00 H new ATOM 0 HA ASP A 126 -5.817 -1.474 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.619 0.820 9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.964 0.625 8.154 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.818 -1.570 6.036 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.618 -2.488 5.180 1.00 0.00 C ATOM 1894 C ASN A 127 -7.743 -3.670 4.729 1.00 0.00 C ATOM 1895 O ASN A 127 -8.220 -4.797 4.594 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.212 -1.722 3.961 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.144 -2.547 3.068 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.768 -3.506 3.512 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.274 -2.155 1.803 1.00 0.00 N ATOM 0 H ASN A 127 -7.628 -0.664 5.607 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.455 -2.881 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.760 -0.854 4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.390 -1.345 3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.904 -2.655 1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.743 -1.354 1.460 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.448 -3.377 4.518 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.419 -4.383 4.217 1.00 0.00 C ATOM 1908 C PHE A 128 -5.224 -5.303 5.422 1.00 0.00 C ATOM 1909 O PHE A 128 -5.197 -6.518 5.269 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.082 -3.699 3.815 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.894 -4.661 3.680 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.920 -5.699 2.751 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.769 -4.544 4.498 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.874 -6.581 2.643 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.719 -5.433 4.388 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.772 -6.448 3.459 1.00 0.00 C ATOM 0 H PHE A 128 -6.084 -2.425 4.552 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.750 -4.985 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.224 -3.181 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.837 -2.941 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.778 -5.812 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.720 -3.748 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.915 -7.380 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.144 -5.333 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.052 -7.141 3.370 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.077 -4.696 6.609 1.00 0.00 N ATOM 1927 CA LYS A 129 -4.939 -5.420 7.879 1.00 0.00 C ATOM 1928 C LYS A 129 -6.084 -6.430 8.047 1.00 0.00 C ATOM 1929 O LYS A 129 -5.836 -7.628 8.109 1.00 0.00 O ATOM 1930 CB LYS A 129 -4.911 -4.422 9.078 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.152 -5.085 10.451 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.247 -4.089 11.627 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.951 -4.715 12.844 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.370 -6.033 13.226 1.00 0.00 N ATOM 0 H LYS A 129 -5.051 -3.682 6.714 1.00 0.00 H new ATOM 0 HA LYS A 129 -3.996 -5.966 7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -3.945 -3.916 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.669 -3.656 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.074 -5.665 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.343 -5.788 10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.246 -3.765 11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.791 -3.200 11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.881 -4.032 13.691 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.011 -4.840 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.822 -6.372 14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -5.535 -6.719 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -4.347 -5.929 13.383 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.324 -5.914 8.069 1.00 0.00 N ATOM 1949 CA ARG A 130 -8.538 -6.710 8.358 1.00 0.00 C ATOM 1950 C ARG A 130 -8.724 -7.825 7.325 1.00 0.00 C ATOM 1951 O ARG A 130 -9.197 -8.921 7.657 1.00 0.00 O ATOM 1952 CB ARG A 130 -9.793 -5.814 8.378 1.00 0.00 C ATOM 1953 CG ARG A 130 -9.783 -4.666 9.417 1.00 0.00 C ATOM 1954 CD ARG A 130 -11.088 -3.833 9.381 1.00 0.00 C ATOM 1955 NE ARG A 130 -11.598 -3.663 8.003 1.00 0.00 N ATOM 1956 CZ ARG A 130 -11.722 -2.507 7.345 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -11.381 -1.362 7.902 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -12.169 -2.521 6.104 1.00 0.00 N ATOM 0 H ARG A 130 -7.518 -4.929 7.887 1.00 0.00 H new ATOM 0 HA ARG A 130 -8.406 -7.159 9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -9.923 -5.380 7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.663 -6.443 8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -9.647 -5.083 10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -8.932 -4.013 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -11.847 -4.322 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -10.906 -2.854 9.824 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.882 -4.509 7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.014 -1.347 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -11.484 -0.491 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.414 -3.406 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -12.269 -1.647 5.588 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.359 -7.512 6.074 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.337 -8.478 4.974 1.00 0.00 C ATOM 1974 C TYR A 131 -7.451 -9.678 5.338 1.00 0.00 C ATOM 1975 O TYR A 131 -7.906 -10.817 5.302 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.829 -7.804 3.672 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.630 -8.788 2.510 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.724 -9.426 1.927 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.356 -9.112 2.027 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.561 -10.335 0.917 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.195 -10.024 1.003 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.303 -10.632 0.452 1.00 0.00 C ATOM 1983 OH TYR A 131 -7.168 -11.543 -0.572 1.00 0.00 O ATOM 0 H TYR A 131 -8.069 -6.574 5.798 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.353 -8.835 4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.540 -7.035 3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -6.884 -7.301 3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.719 -9.198 2.279 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.487 -8.642 2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.424 -10.820 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.207 -10.260 0.636 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.217 -11.684 -0.761 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.196 -9.379 5.703 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.181 -10.395 6.028 1.00 0.00 C ATOM 1995 C VAL A 132 -5.605 -11.220 7.263 1.00 0.00 C ATOM 1996 O VAL A 132 -5.331 -12.411 7.319 1.00 0.00 O ATOM 1997 CB VAL A 132 -3.763 -9.733 6.242 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -2.692 -10.764 6.667 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.305 -8.987 4.971 1.00 0.00 C ATOM 0 H VAL A 132 -5.854 -8.421 5.782 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.103 -11.077 5.181 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.872 -9.016 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.735 -10.260 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.990 -11.233 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.595 -11.527 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.326 -8.540 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.241 -9.689 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.024 -8.204 4.730 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.312 -10.580 8.226 1.00 0.00 N ATOM 2010 CA GLU A 133 -6.833 -11.253 9.438 1.00 0.00 C ATOM 2011 C GLU A 133 -7.843 -12.351 9.051 1.00 0.00 C ATOM 2012 O GLU A 133 -7.703 -13.521 9.416 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.565 -10.253 10.378 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.790 -8.980 10.764 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.531 -9.196 11.602 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -5.520 -10.093 12.467 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -4.581 -8.407 11.467 1.00 0.00 O ATOM 0 H GLU A 133 -6.536 -9.586 8.183 1.00 0.00 H new ATOM 0 HA GLU A 133 -5.974 -11.680 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.496 -9.953 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.834 -10.780 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -6.510 -8.457 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -7.462 -8.322 11.315 1.00 0.00 H new ATOM 2024 N ALA A 134 -8.846 -11.933 8.258 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.031 -12.751 7.941 1.00 0.00 C ATOM 2026 C ALA A 134 -9.820 -13.564 6.651 1.00 0.00 C ATOM 2027 O ALA A 134 -10.726 -14.285 6.222 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.268 -11.842 7.829 1.00 0.00 C ATOM 0 H ALA A 134 -8.857 -11.013 7.817 1.00 0.00 H new ATOM 0 HA ALA A 134 -10.190 -13.467 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.144 -12.447 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.427 -11.325 8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.111 -11.109 7.037 1.00 0.00 H new ATOM 2034 N ALA A 135 -8.623 -13.441 6.039 1.00 0.00 N ATOM 2035 CA ALA A 135 -8.262 -14.193 4.818 1.00 0.00 C ATOM 2036 C ALA A 135 -8.106 -15.685 5.135 1.00 0.00 C ATOM 2037 O ALA A 135 -8.461 -16.548 4.328 1.00 0.00 O ATOM 2038 CB ALA A 135 -6.964 -13.636 4.204 1.00 0.00 C ATOM 0 H ALA A 135 -7.884 -12.822 6.374 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.065 -14.075 4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -6.714 -14.202 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -7.105 -12.587 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -6.153 -13.725 4.926 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.597 -15.958 6.343 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.304 -17.314 6.773 1.00 0.00 C ATOM 2046 C GLY A 136 -5.987 -17.794 6.202 1.00 0.00 C ATOM 2047 O GLY A 136 -5.862 -18.945 5.793 1.00 0.00 O ATOM 0 H GLY A 136 -7.381 -15.244 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.268 -17.354 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.106 -17.981 6.456 1.00 0.00 H new ATOM 2051 N LEU A 137 -4.985 -16.893 6.208 1.00 0.00 N ATOM 2052 CA LEU A 137 -3.607 -17.185 5.757 1.00 0.00 C ATOM 2053 C LEU A 137 -2.846 -18.077 6.771 1.00 0.00 C ATOM 2054 O LEU A 137 -1.653 -18.305 6.604 1.00 0.00 O ATOM 2055 CB LEU A 137 -2.825 -15.862 5.505 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.437 -14.876 4.456 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.556 -13.622 4.270 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -3.700 -15.573 3.104 1.00 0.00 C ATOM 0 H LEU A 137 -5.109 -15.933 6.529 1.00 0.00 H new ATOM 0 HA LEU A 137 -3.679 -17.739 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.732 -15.335 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.816 -16.119 5.183 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.398 -14.549 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.014 -12.961 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.464 -13.097 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -1.567 -13.921 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -4.125 -14.856 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -2.762 -15.959 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.399 -16.397 3.249 1.00 0.00 H new ATOM 2070 N GLU A 138 -3.552 -18.536 7.827 1.00 0.00 N ATOM 2071 CA GLU A 138 -3.075 -19.564 8.774 1.00 0.00 C ATOM 2072 C GLU A 138 -2.449 -20.783 8.041 1.00 0.00 C ATOM 2073 O GLU A 138 -3.135 -21.490 7.302 1.00 0.00 O ATOM 2074 CB GLU A 138 -4.263 -20.005 9.693 1.00 0.00 C ATOM 2075 CG GLU A 138 -5.544 -20.438 8.939 1.00 0.00 C ATOM 2076 CD GLU A 138 -6.687 -20.880 9.864 1.00 0.00 C ATOM 2077 OE1 GLU A 138 -6.701 -22.059 10.273 1.00 0.00 O ATOM 2078 OE2 GLU A 138 -7.567 -20.056 10.186 1.00 0.00 O ATOM 0 H GLU A 138 -4.487 -18.195 8.048 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.283 -19.133 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.931 -20.832 10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -4.513 -19.180 10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -5.889 -19.609 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -5.298 -21.257 8.264 1.00 0.00 H new ATOM 2085 N HIS A 139 -1.134 -21.006 8.241 1.00 0.00 N ATOM 2086 CA HIS A 139 -0.371 -22.070 7.548 1.00 0.00 C ATOM 2087 C HIS A 139 0.337 -22.995 8.565 1.00 0.00 C ATOM 2088 O HIS A 139 1.487 -22.784 8.939 1.00 0.00 O ATOM 2089 CB HIS A 139 0.618 -21.457 6.512 1.00 0.00 C ATOM 2090 CG HIS A 139 1.396 -20.262 7.010 1.00 0.00 C ATOM 2091 ND1 HIS A 139 1.011 -18.972 6.753 1.00 0.00 N ATOM 2092 CD2 HIS A 139 2.514 -20.169 7.767 1.00 0.00 C ATOM 2093 CE1 HIS A 139 1.841 -18.140 7.327 1.00 0.00 C ATOM 2094 NE2 HIS A 139 2.765 -18.837 7.950 1.00 0.00 N ATOM 0 H HIS A 139 -0.569 -20.455 8.887 1.00 0.00 H new ATOM 0 HA HIS A 139 -1.071 -22.692 6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 139 1.323 -22.229 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.057 -21.164 5.625 1.00 0.00 H new ATOM 0 HD1 HIS A 139 0.199 -18.702 6.198 1.00 0.00 H new ATOM 0 HD2 HIS A 139 3.098 -20.991 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 139 1.778 -17.062 7.295 1.00 0.00 H new ATOM 2103 N HIS A 140 -0.401 -24.005 9.012 1.00 0.00 N ATOM 2104 CA HIS A 140 0.067 -25.020 9.964 1.00 0.00 C ATOM 2105 C HIS A 140 -0.910 -26.193 9.876 1.00 0.00 C ATOM 2106 O HIS A 140 -1.968 -26.161 10.500 1.00 0.00 O ATOM 2107 CB HIS A 140 0.141 -24.444 11.417 1.00 0.00 C ATOM 2108 CG HIS A 140 0.644 -25.399 12.484 1.00 0.00 C ATOM 2109 ND1 HIS A 140 1.885 -25.293 13.057 1.00 0.00 N ATOM 2110 CD2 HIS A 140 0.043 -26.442 13.109 1.00 0.00 C ATOM 2111 CE1 HIS A 140 2.032 -26.217 13.980 1.00 0.00 C ATOM 2112 NE2 HIS A 140 0.929 -26.929 14.035 1.00 0.00 N ATOM 0 H HIS A 140 -1.367 -24.149 8.718 1.00 0.00 H new ATOM 0 HA HIS A 140 1.078 -25.345 9.717 1.00 0.00 H new ATOM 0 HB2 HIS A 140 0.789 -23.567 11.407 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -0.854 -24.102 11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -0.950 -26.819 12.913 1.00 0.00 H new ATOM 0 HE1 HIS A 140 2.911 -26.366 14.590 1.00 0.00 H new ATOM 0 HE2 HIS A 140 0.760 -27.715 14.663 1.00 0.00 H new ATOM 2121 N HIS A 141 -0.576 -27.194 9.047 1.00 0.00 N ATOM 2122 CA HIS A 141 -1.437 -28.376 8.849 1.00 0.00 C ATOM 2123 C HIS A 141 -1.433 -29.274 10.103 1.00 0.00 C ATOM 2124 O HIS A 141 -0.507 -29.217 10.917 1.00 0.00 O ATOM 2125 CB HIS A 141 -1.004 -29.179 7.593 1.00 0.00 C ATOM 2126 CG HIS A 141 0.353 -29.839 7.678 1.00 0.00 C ATOM 2127 ND1 HIS A 141 0.516 -31.189 7.871 1.00 0.00 N ATOM 2128 CD2 HIS A 141 1.601 -29.332 7.558 1.00 0.00 C ATOM 2129 CE1 HIS A 141 1.799 -31.482 7.873 1.00 0.00 C ATOM 2130 NE2 HIS A 141 2.479 -30.374 7.684 1.00 0.00 N ATOM 0 H HIS A 141 0.285 -27.211 8.501 1.00 0.00 H new ATOM 0 HA HIS A 141 -2.456 -28.024 8.686 1.00 0.00 H new ATOM 0 HB2 HIS A 141 -1.751 -29.949 7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 141 -1.009 -28.507 6.734 1.00 0.00 H new ATOM 0 HD1 HIS A 141 -0.241 -31.861 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 141 1.857 -28.296 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 141 2.221 -32.467 8.007 1.00 0.00 H new ATOM 2139 N HIS A 142 -2.482 -30.098 10.243 1.00 0.00 N ATOM 2140 CA HIS A 142 -2.616 -31.061 11.354 1.00 0.00 C ATOM 2141 C HIS A 142 -1.679 -32.262 11.134 1.00 0.00 C ATOM 2142 O HIS A 142 -1.067 -32.393 10.061 1.00 0.00 O ATOM 2143 CB HIS A 142 -4.083 -31.530 11.485 1.00 0.00 C ATOM 2144 CG HIS A 142 -5.064 -30.425 11.803 1.00 0.00 C ATOM 2145 ND1 HIS A 142 -6.007 -29.977 10.905 1.00 0.00 N ATOM 2146 CD2 HIS A 142 -5.250 -29.694 12.930 1.00 0.00 C ATOM 2147 CE1 HIS A 142 -6.726 -29.020 11.459 1.00 0.00 C ATOM 2148 NE2 HIS A 142 -6.291 -28.832 12.688 1.00 0.00 N ATOM 0 H HIS A 142 -3.265 -30.118 9.589 1.00 0.00 H new ATOM 0 HA HIS A 142 -2.330 -30.567 12.283 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -4.383 -32.009 10.553 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -4.141 -32.288 12.266 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -4.685 -29.775 13.847 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -7.534 -28.482 10.985 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -6.667 -28.155 13.352 1.00 0.00 H new ATOM 2157 N HIS A 143 -1.570 -33.125 12.158 1.00 0.00 N ATOM 2158 CA HIS A 143 -0.695 -34.311 12.123 1.00 0.00 C ATOM 2159 C HIS A 143 -1.136 -35.277 11.010 1.00 0.00 C ATOM 2160 O HIS A 143 -2.340 -35.532 10.836 1.00 0.00 O ATOM 2161 CB HIS A 143 -0.677 -35.034 13.496 1.00 0.00 C ATOM 2162 CG HIS A 143 -1.935 -35.786 13.847 1.00 0.00 C ATOM 2163 ND1 HIS A 143 -1.989 -37.158 13.883 1.00 0.00 N ATOM 2164 CD2 HIS A 143 -3.183 -35.360 14.144 1.00 0.00 C ATOM 2165 CE1 HIS A 143 -3.204 -37.543 14.193 1.00 0.00 C ATOM 2166 NE2 HIS A 143 -3.956 -36.471 14.355 1.00 0.00 N ATOM 0 H HIS A 143 -2.085 -33.021 13.032 1.00 0.00 H new ATOM 0 HA HIS A 143 0.319 -33.973 11.907 1.00 0.00 H new ATOM 0 HB2 HIS A 143 0.159 -35.733 13.509 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -0.487 -34.295 14.274 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -3.510 -34.333 14.204 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -3.534 -38.566 14.298 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -4.947 -36.470 14.597 1.00 0.00 H new ATOM 2175 N HIS A 144 -0.167 -35.772 10.233 1.00 0.00 N ATOM 2176 CA HIS A 144 -0.423 -36.745 9.172 1.00 0.00 C ATOM 2177 C HIS A 144 -0.565 -38.145 9.815 1.00 0.00 C ATOM 2178 O HIS A 144 -1.703 -38.607 10.004 1.00 0.00 O ATOM 2179 CB HIS A 144 0.716 -36.703 8.115 1.00 0.00 C ATOM 2180 CG HIS A 144 0.421 -37.511 6.873 1.00 0.00 C ATOM 2181 ND1 HIS A 144 0.700 -38.857 6.757 1.00 0.00 N ATOM 2182 CD2 HIS A 144 -0.158 -37.151 5.703 1.00 0.00 C ATOM 2183 CE1 HIS A 144 0.308 -39.285 5.574 1.00 0.00 C ATOM 2184 NE2 HIS A 144 -0.216 -38.274 4.914 1.00 0.00 N ATOM 2185 OXT HIS A 144 0.465 -38.743 10.187 1.00 0.00 O ATOM 0 H HIS A 144 0.814 -35.509 10.324 1.00 0.00 H new ATOM 0 HA HIS A 144 -1.348 -36.504 8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 144 0.897 -35.667 7.829 1.00 0.00 H new ATOM 0 HB3 HIS A 144 1.635 -37.073 8.569 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -0.509 -36.164 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 144 0.401 -40.297 5.207 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -0.602 -38.317 3.971 1.00 0.00 H new TER 2194 HIS A 144