USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1060 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 128 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 TYR OH : rot 150:sc= 0.585 USER MOD Set 2.2: A 114 THR OG1 : rot -84:sc= 0.968 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.204 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -117:sc= 1.21 (180deg=0.126) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0687 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -44:sc= 0.903 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.02 K(o=-1,f=-0.0027) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 45 MET CE :methyl -161:sc= -0.151 (180deg=-0.756) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -6:sc= 0.751 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 104:sc= 0.202 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.68) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.0691 (180deg=-0.351) USER MOD Single : A 76 TYR OH : rot -33:sc= 0.744 USER MOD Single : A 80 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.83) USER MOD Single : A 83 GLN : amide:sc= -0.0984 K(o=-0.098,f=-0.72) USER MOD Single : A 89 ASN : amide:sc= -3.01! K(o=-3!,f=-1.4) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -84:sc= 0.526 USER MOD Single : A 95 THR OG1 : rot 77:sc= 0.956 USER MOD Single : A 96 THR OG1 : rot 83:sc= 0.675 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 99 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.21) USER MOD Single : A 100 HIS : no HE2:sc= -2.33 X(o=-2.3,f=-2.7!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -161:sc= -0.555 (180deg=-1.04) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 160:sc= -0.129 (180deg=-0.599) USER MOD Single : A 124 MET CE :methyl 162:sc= -0.165 (180deg=-0.584) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.944 -9.407 1.451 1.00 0.00 N ATOM 2 CA MET A 1 48.813 -7.928 1.502 1.00 0.00 C ATOM 3 C MET A 1 47.646 -7.518 2.392 1.00 0.00 C ATOM 4 O MET A 1 46.541 -8.046 2.264 1.00 0.00 O ATOM 5 CB MET A 1 48.608 -7.364 0.092 1.00 0.00 C ATOM 6 CG MET A 1 49.731 -7.701 -0.878 1.00 0.00 C ATOM 7 SD MET A 1 49.683 -9.414 -1.442 1.00 0.00 S ATOM 8 CE MET A 1 48.102 -9.450 -2.286 1.00 0.00 C ATOM 0 H1 MET A 1 49.859 -9.689 1.857 1.00 0.00 H new ATOM 0 H2 MET A 1 48.174 -9.843 1.997 1.00 0.00 H new ATOM 0 H3 MET A 1 48.891 -9.726 0.463 1.00 0.00 H new ATOM 0 HA MET A 1 49.733 -7.522 1.922 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.669 -7.746 -0.308 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.510 -6.280 0.156 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.670 -7.038 -1.741 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.690 -7.509 -0.396 1.00 0.00 H new ATOM 0 HE1 MET A 1 48.097 -10.261 -3.015 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.305 -9.610 -1.560 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.941 -8.501 -2.798 1.00 0.00 H new ATOM 18 N ASP A 2 47.896 -6.574 3.293 1.00 0.00 N ATOM 19 CA ASP A 2 46.861 -6.094 4.200 1.00 0.00 C ATOM 20 C ASP A 2 45.877 -5.190 3.466 1.00 0.00 C ATOM 21 O ASP A 2 44.693 -5.144 3.798 1.00 0.00 O ATOM 22 CB ASP A 2 47.489 -5.339 5.374 1.00 0.00 C ATOM 23 CG ASP A 2 48.433 -6.210 6.181 1.00 0.00 C ATOM 24 OD1 ASP A 2 49.633 -6.260 5.838 1.00 0.00 O ATOM 25 OD2 ASP A 2 47.972 -6.839 7.156 1.00 0.00 O ATOM 0 H ASP A 2 48.805 -6.127 3.414 1.00 0.00 H new ATOM 0 HA ASP A 2 46.319 -6.958 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 2 48.031 -4.472 4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 2 46.700 -4.963 6.025 1.00 0.00 H new ATOM 30 N ALA A 3 46.378 -4.472 2.465 1.00 0.00 N ATOM 31 CA ALA A 3 45.548 -3.568 1.679 1.00 0.00 C ATOM 32 C ALA A 3 45.175 -4.191 0.337 1.00 0.00 C ATOM 33 O ALA A 3 46.009 -4.815 -0.318 1.00 0.00 O ATOM 34 CB ALA A 3 46.267 -2.245 1.468 1.00 0.00 C ATOM 0 H ALA A 3 47.357 -4.500 2.179 1.00 0.00 H new ATOM 0 HA ALA A 3 44.627 -3.385 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 3 45.637 -1.578 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 3 46.477 -1.787 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 3 47.204 -2.420 0.939 1.00 0.00 H new ATOM 40 N LEU A 4 43.916 -4.014 -0.063 1.00 0.00 N ATOM 41 CA LEU A 4 43.422 -4.554 -1.327 1.00 0.00 C ATOM 42 C LEU A 4 43.580 -6.071 -1.374 1.00 0.00 C ATOM 43 O LEU A 4 44.656 -6.585 -1.685 1.00 0.00 O ATOM 44 CB LEU A 4 44.156 -3.913 -2.507 1.00 0.00 C ATOM 45 CG LEU A 4 43.739 -4.421 -3.891 1.00 0.00 C ATOM 46 CD1 LEU A 4 42.295 -4.044 -4.190 1.00 0.00 C ATOM 47 CD2 LEU A 4 44.669 -3.869 -4.961 1.00 0.00 C ATOM 0 H LEU A 4 43.218 -3.499 0.473 1.00 0.00 H new ATOM 0 HA LEU A 4 42.361 -4.317 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 4 43.997 -2.835 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 4 45.226 -4.082 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 4 43.814 -5.508 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 4 42.019 -4.414 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 4 41.640 -4.488 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 4 42.190 -2.959 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 4 44.359 -4.239 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 4 44.625 -2.780 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 4 45.690 -4.192 -4.757 1.00 0.00 H new ATOM 59 N GLU A 5 42.502 -6.783 -1.062 1.00 0.00 N ATOM 60 CA GLU A 5 42.519 -8.242 -1.069 1.00 0.00 C ATOM 61 C GLU A 5 41.375 -8.795 -1.913 1.00 0.00 C ATOM 62 O GLU A 5 40.254 -8.287 -1.867 1.00 0.00 O ATOM 63 CB GLU A 5 42.426 -8.781 0.360 1.00 0.00 C ATOM 64 CG GLU A 5 41.199 -8.301 1.115 1.00 0.00 C ATOM 65 CD GLU A 5 41.150 -8.823 2.538 1.00 0.00 C ATOM 66 OE1 GLU A 5 41.839 -8.245 3.406 1.00 0.00 O ATOM 67 OE2 GLU A 5 40.426 -9.810 2.784 1.00 0.00 O ATOM 0 H GLU A 5 41.605 -6.373 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 5 43.461 -8.568 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 5 42.419 -9.871 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.319 -8.484 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 5 41.190 -7.211 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.302 -8.620 0.584 1.00 0.00 H new ATOM 74 N GLY A 6 41.666 -9.838 -2.685 1.00 0.00 N ATOM 75 CA GLY A 6 40.653 -10.442 -3.531 1.00 0.00 C ATOM 76 C GLY A 6 40.186 -9.507 -4.629 1.00 0.00 C ATOM 77 O GLY A 6 40.769 -8.442 -4.836 1.00 0.00 O ATOM 0 H GLY A 6 42.586 -10.276 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 6 41.052 -11.352 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 6 39.800 -10.735 -2.919 1.00 0.00 H new ATOM 81 N GLU A 7 39.132 -9.902 -5.334 1.00 0.00 N ATOM 82 CA GLU A 7 38.588 -9.089 -6.414 1.00 0.00 C ATOM 83 C GLU A 7 37.795 -7.911 -5.859 1.00 0.00 C ATOM 84 O GLU A 7 37.477 -7.870 -4.670 1.00 0.00 O ATOM 85 CB GLU A 7 37.695 -9.935 -7.326 1.00 0.00 C ATOM 86 CG GLU A 7 38.443 -11.026 -8.078 1.00 0.00 C ATOM 87 CD GLU A 7 38.976 -12.111 -7.163 1.00 0.00 C ATOM 88 OE1 GLU A 7 38.221 -13.061 -6.865 1.00 0.00 O ATOM 89 OE2 GLU A 7 40.148 -12.010 -6.742 1.00 0.00 O ATOM 0 H GLU A 7 38.638 -10.780 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 7 39.424 -8.702 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 7 36.909 -10.394 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 7 37.204 -9.281 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 7 37.777 -11.474 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 7 39.273 -10.580 -8.626 1.00 0.00 H new ATOM 96 N SER A 8 37.480 -6.957 -6.728 1.00 0.00 N ATOM 97 CA SER A 8 36.724 -5.776 -6.326 1.00 0.00 C ATOM 98 C SER A 8 35.225 -6.058 -6.354 1.00 0.00 C ATOM 99 O SER A 8 34.707 -6.614 -7.323 1.00 0.00 O ATOM 100 CB SER A 8 37.052 -4.598 -7.245 1.00 0.00 C ATOM 101 OG SER A 8 38.428 -4.264 -7.176 1.00 0.00 O ATOM 0 H SER A 8 37.736 -6.978 -7.715 1.00 0.00 H new ATOM 0 HA SER A 8 37.009 -5.520 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 8 36.787 -4.849 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 8 36.450 -3.734 -6.963 1.00 0.00 H new ATOM 0 HG SER A 8 38.612 -3.509 -7.774 1.00 0.00 H new ATOM 107 N PHE A 9 34.535 -5.671 -5.287 1.00 0.00 N ATOM 108 CA PHE A 9 33.095 -5.884 -5.191 1.00 0.00 C ATOM 109 C PHE A 9 32.331 -4.816 -5.966 1.00 0.00 C ATOM 110 O PHE A 9 32.833 -3.711 -6.182 1.00 0.00 O ATOM 111 CB PHE A 9 32.654 -5.883 -3.726 1.00 0.00 C ATOM 112 CG PHE A 9 33.253 -6.999 -2.919 1.00 0.00 C ATOM 113 CD1 PHE A 9 34.522 -6.875 -2.376 1.00 0.00 C ATOM 114 CD2 PHE A 9 32.547 -8.171 -2.702 1.00 0.00 C ATOM 115 CE1 PHE A 9 35.077 -7.901 -1.633 1.00 0.00 C ATOM 116 CE2 PHE A 9 33.095 -9.200 -1.960 1.00 0.00 C ATOM 117 CZ PHE A 9 34.361 -9.065 -1.425 1.00 0.00 C ATOM 0 H PHE A 9 34.948 -5.209 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 9 32.868 -6.855 -5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 9 32.928 -4.930 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 9 31.567 -5.956 -3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 9 35.084 -5.967 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 9 31.556 -8.282 -3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 9 36.067 -7.793 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 9 32.534 -10.109 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 9 34.791 -9.868 -0.845 1.00 0.00 H new ATOM 127 N ALA A 10 31.116 -5.153 -6.385 1.00 0.00 N ATOM 128 CA ALA A 10 30.279 -4.227 -7.138 1.00 0.00 C ATOM 129 C ALA A 10 28.859 -4.200 -6.584 1.00 0.00 C ATOM 130 O ALA A 10 28.320 -5.233 -6.186 1.00 0.00 O ATOM 131 CB ALA A 10 30.268 -4.611 -8.610 1.00 0.00 C ATOM 0 H ALA A 10 30.688 -6.063 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 10 30.698 -3.226 -7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 10 29.640 -3.913 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.284 -4.575 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 10 29.872 -5.621 -8.720 1.00 0.00 H new ATOM 137 N LEU A 11 28.261 -3.011 -6.558 1.00 0.00 N ATOM 138 CA LEU A 11 26.901 -2.840 -6.053 1.00 0.00 C ATOM 139 C LEU A 11 26.798 -3.273 -4.593 1.00 0.00 C ATOM 140 O LEU A 11 27.785 -3.694 -3.987 1.00 0.00 O ATOM 141 CB LEU A 11 25.909 -3.634 -6.909 1.00 0.00 C ATOM 142 CG LEU A 11 25.815 -3.194 -8.373 1.00 0.00 C ATOM 143 CD1 LEU A 11 24.982 -4.181 -9.176 1.00 0.00 C ATOM 144 CD2 LEU A 11 25.224 -1.795 -8.474 1.00 0.00 C ATOM 0 H LEU A 11 28.699 -2.149 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 11 26.652 -1.781 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 26.190 -4.687 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 11 24.920 -3.555 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 11 26.822 -3.174 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 11 24.927 -3.851 -10.213 1.00 0.00 H new ATOM 0 HD12 LEU A 11 25.445 -5.167 -9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 11 23.977 -4.233 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.165 -1.500 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 11 24.225 -1.790 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 11 25.858 -1.092 -7.934 1.00 0.00 H new ATOM 156 N SER A 12 25.598 -3.163 -4.030 1.00 0.00 N ATOM 157 CA SER A 12 25.368 -3.542 -2.641 1.00 0.00 C ATOM 158 C SER A 12 24.117 -4.405 -2.512 1.00 0.00 C ATOM 159 O SER A 12 23.209 -4.327 -3.340 1.00 0.00 O ATOM 160 CB SER A 12 25.227 -2.294 -1.766 1.00 0.00 C ATOM 161 OG SER A 12 25.019 -2.644 -0.409 1.00 0.00 O ATOM 0 H SER A 12 24.771 -2.815 -4.515 1.00 0.00 H new ATOM 0 HA SER A 12 26.227 -4.122 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 12 26.124 -1.681 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.392 -1.689 -2.121 1.00 0.00 H new ATOM 0 HG SER A 12 24.934 -1.830 0.130 1.00 0.00 H new ATOM 167 N PHE A 13 24.078 -5.227 -1.468 1.00 0.00 N ATOM 168 CA PHE A 13 22.940 -6.103 -1.225 1.00 0.00 C ATOM 169 C PHE A 13 22.208 -5.695 0.048 1.00 0.00 C ATOM 170 O PHE A 13 21.213 -6.312 0.430 1.00 0.00 O ATOM 171 CB PHE A 13 23.399 -7.560 -1.126 1.00 0.00 C ATOM 172 CG PHE A 13 24.474 -7.786 -0.101 1.00 0.00 C ATOM 173 CD1 PHE A 13 25.807 -7.590 -0.420 1.00 0.00 C ATOM 174 CD2 PHE A 13 24.150 -8.198 1.182 1.00 0.00 C ATOM 175 CE1 PHE A 13 26.799 -7.799 0.521 1.00 0.00 C ATOM 176 CE2 PHE A 13 25.136 -8.408 2.127 1.00 0.00 C ATOM 177 CZ PHE A 13 26.463 -8.209 1.795 1.00 0.00 C ATOM 0 H PHE A 13 24.824 -5.304 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 13 22.252 -6.008 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 13 22.541 -8.186 -0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 13 23.765 -7.884 -2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 13 26.076 -7.270 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 13 23.115 -8.357 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 13 27.835 -7.642 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 13 24.870 -8.727 3.124 1.00 0.00 H new ATOM 0 HZ PHE A 13 27.235 -8.374 2.531 1.00 0.00 H new ATOM 187 N SER A 14 22.708 -4.650 0.701 1.00 0.00 N ATOM 188 CA SER A 14 22.103 -4.155 1.932 1.00 0.00 C ATOM 189 C SER A 14 21.118 -3.028 1.640 1.00 0.00 C ATOM 190 O SER A 14 21.515 -1.935 1.233 1.00 0.00 O ATOM 191 CB SER A 14 23.184 -3.665 2.897 1.00 0.00 C ATOM 192 OG SER A 14 24.069 -4.714 3.249 1.00 0.00 O ATOM 0 H SER A 14 23.531 -4.130 0.397 1.00 0.00 H new ATOM 0 HA SER A 14 21.559 -4.978 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.745 -2.851 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.717 -3.262 3.796 1.00 0.00 H new ATOM 0 HG SER A 14 24.751 -4.374 3.865 1.00 0.00 H new ATOM 198 N SER A 15 19.836 -3.302 1.848 1.00 0.00 N ATOM 199 CA SER A 15 18.790 -2.314 1.609 1.00 0.00 C ATOM 200 C SER A 15 17.724 -2.380 2.696 1.00 0.00 C ATOM 201 O SER A 15 17.246 -1.351 3.176 1.00 0.00 O ATOM 202 CB SER A 15 18.152 -2.537 0.236 1.00 0.00 C ATOM 203 OG SER A 15 17.120 -1.598 -0.006 1.00 0.00 O ATOM 0 H SER A 15 19.494 -4.203 2.183 1.00 0.00 H new ATOM 0 HA SER A 15 19.246 -1.324 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.913 -2.453 -0.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.749 -3.548 0.179 1.00 0.00 H new ATOM 0 HG SER A 15 16.730 -1.761 -0.890 1.00 0.00 H new ATOM 209 N ALA A 16 17.358 -3.599 3.078 1.00 0.00 N ATOM 210 CA ALA A 16 16.353 -3.810 4.111 1.00 0.00 C ATOM 211 C ALA A 16 16.868 -3.355 5.472 1.00 0.00 C ATOM 212 O ALA A 16 16.157 -2.690 6.225 1.00 0.00 O ATOM 213 CB ALA A 16 15.949 -5.276 4.158 1.00 0.00 C ATOM 0 H ALA A 16 17.744 -4.458 2.686 1.00 0.00 H new ATOM 0 HA ALA A 16 15.476 -3.211 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.197 -5.422 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.536 -5.571 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.823 -5.887 4.381 1.00 0.00 H new ATOM 219 N SER A 17 18.108 -3.719 5.780 1.00 0.00 N ATOM 220 CA SER A 17 18.725 -3.343 7.047 1.00 0.00 C ATOM 221 C SER A 17 19.591 -2.101 6.870 1.00 0.00 C ATOM 222 O SER A 17 20.397 -1.762 7.739 1.00 0.00 O ATOM 223 CB SER A 17 19.570 -4.498 7.589 1.00 0.00 C ATOM 224 OG SER A 17 20.115 -4.181 8.858 1.00 0.00 O ATOM 0 H SER A 17 18.706 -4.275 5.169 1.00 0.00 H new ATOM 0 HA SER A 17 17.934 -3.119 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 17 18.957 -5.396 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 17 20.376 -4.722 6.890 1.00 0.00 H new ATOM 0 HG SER A 17 20.460 -3.264 8.846 1.00 0.00 H new ATOM 230 N ASP A 18 19.417 -1.423 5.738 1.00 0.00 N ATOM 231 CA ASP A 18 20.181 -0.218 5.438 1.00 0.00 C ATOM 232 C ASP A 18 19.292 1.020 5.515 1.00 0.00 C ATOM 233 O ASP A 18 18.074 0.912 5.659 1.00 0.00 O ATOM 234 CB ASP A 18 20.809 -0.327 4.046 1.00 0.00 C ATOM 235 CG ASP A 18 21.819 0.770 3.777 1.00 0.00 C ATOM 236 OD1 ASP A 18 22.964 0.656 4.263 1.00 0.00 O ATOM 237 OD2 ASP A 18 21.464 1.747 3.082 1.00 0.00 O ATOM 0 H ASP A 18 18.751 -1.690 5.013 1.00 0.00 H new ATOM 0 HA ASP A 18 20.973 -0.120 6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 18 21.296 -1.297 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.023 -0.285 3.292 1.00 0.00 H new ATOM 242 N ALA A 19 19.908 2.194 5.421 1.00 0.00 N ATOM 243 CA ALA A 19 19.175 3.453 5.480 1.00 0.00 C ATOM 244 C ALA A 19 18.124 3.534 4.376 1.00 0.00 C ATOM 245 O ALA A 19 17.143 4.266 4.494 1.00 0.00 O ATOM 246 CB ALA A 19 20.135 4.629 5.383 1.00 0.00 C ATOM 0 H ALA A 19 20.916 2.299 5.303 1.00 0.00 H new ATOM 0 HA ALA A 19 18.659 3.496 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.573 5.562 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.842 4.591 6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.678 4.578 4.439 1.00 0.00 H new ATOM 252 N GLU A 20 18.340 2.777 3.304 1.00 0.00 N ATOM 253 CA GLU A 20 17.415 2.763 2.174 1.00 0.00 C ATOM 254 C GLU A 20 16.003 2.371 2.603 1.00 0.00 C ATOM 255 O GLU A 20 15.030 3.011 2.206 1.00 0.00 O ATOM 256 CB GLU A 20 17.911 1.798 1.096 1.00 0.00 C ATOM 257 CG GLU A 20 19.068 2.344 0.278 1.00 0.00 C ATOM 258 CD GLU A 20 19.584 1.347 -0.742 1.00 0.00 C ATOM 259 OE1 GLU A 20 20.443 0.517 -0.380 1.00 0.00 O ATOM 260 OE2 GLU A 20 19.127 1.396 -1.905 1.00 0.00 O ATOM 0 H GLU A 20 19.148 2.165 3.194 1.00 0.00 H new ATOM 0 HA GLU A 20 17.377 3.775 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.219 0.865 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.085 1.558 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.749 3.251 -0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.880 2.626 0.948 1.00 0.00 H new ATOM 267 N PHE A 21 15.896 1.318 3.408 1.00 0.00 N ATOM 268 CA PHE A 21 14.595 0.843 3.873 1.00 0.00 C ATOM 269 C PHE A 21 13.812 1.943 4.585 1.00 0.00 C ATOM 270 O PHE A 21 12.681 2.253 4.208 1.00 0.00 O ATOM 271 CB PHE A 21 14.771 -0.353 4.814 1.00 0.00 C ATOM 272 CG PHE A 21 13.483 -0.825 5.432 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.037 -0.290 6.631 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.717 -1.799 4.813 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.853 -0.716 7.199 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.532 -2.230 5.377 1.00 0.00 C ATOM 277 CZ PHE A 21 11.098 -1.687 6.571 1.00 0.00 C ATOM 0 H PHE A 21 16.691 0.779 3.751 1.00 0.00 H new ATOM 0 HA PHE A 21 14.027 0.537 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.223 -1.177 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.467 -0.082 5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.623 0.470 7.127 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.050 -2.226 3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.518 -0.290 8.133 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.945 -2.991 4.885 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.171 -2.021 7.012 1.00 0.00 H new ATOM 287 N ASP A 22 14.414 2.531 5.613 1.00 0.00 N ATOM 288 CA ASP A 22 13.756 3.585 6.381 1.00 0.00 C ATOM 289 C ASP A 22 13.540 4.835 5.535 1.00 0.00 C ATOM 290 O ASP A 22 12.604 5.599 5.771 1.00 0.00 O ATOM 291 CB ASP A 22 14.567 3.924 7.632 1.00 0.00 C ATOM 292 CG ASP A 22 16.039 4.116 7.334 1.00 0.00 C ATOM 293 OD1 ASP A 22 16.432 5.249 6.986 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.800 3.133 7.449 1.00 0.00 O ATOM 0 H ASP A 22 15.354 2.298 5.934 1.00 0.00 H new ATOM 0 HA ASP A 22 12.778 3.212 6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.169 4.833 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.449 3.126 8.365 1.00 0.00 H new ATOM 299 N ALA A 23 14.410 5.042 4.555 1.00 0.00 N ATOM 300 CA ALA A 23 14.299 6.196 3.673 1.00 0.00 C ATOM 301 C ALA A 23 13.036 6.098 2.824 1.00 0.00 C ATOM 302 O ALA A 23 12.243 7.039 2.752 1.00 0.00 O ATOM 303 CB ALA A 23 15.530 6.305 2.787 1.00 0.00 C ATOM 0 H ALA A 23 15.198 4.428 4.351 1.00 0.00 H new ATOM 0 HA ALA A 23 14.233 7.096 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.432 7.172 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.418 6.418 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.624 5.403 2.182 1.00 0.00 H new ATOM 309 N VAL A 24 12.852 4.944 2.191 1.00 0.00 N ATOM 310 CA VAL A 24 11.691 4.712 1.347 1.00 0.00 C ATOM 311 C VAL A 24 10.410 4.691 2.174 1.00 0.00 C ATOM 312 O VAL A 24 9.466 5.425 1.883 1.00 0.00 O ATOM 313 CB VAL A 24 11.813 3.386 0.574 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.572 3.146 -0.273 1.00 0.00 C ATOM 315 CG2 VAL A 24 13.068 3.386 -0.292 1.00 0.00 C ATOM 0 H VAL A 24 13.495 4.155 2.248 1.00 0.00 H new ATOM 0 HA VAL A 24 11.648 5.535 0.633 1.00 0.00 H new ATOM 0 HB VAL A 24 11.896 2.572 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.676 2.204 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.695 3.100 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.455 3.962 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.138 2.441 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.018 4.208 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.947 3.509 0.341 1.00 0.00 H new ATOM 325 N VAL A 25 10.386 3.853 3.210 1.00 0.00 N ATOM 326 CA VAL A 25 9.215 3.743 4.073 1.00 0.00 C ATOM 327 C VAL A 25 8.760 5.123 4.542 1.00 0.00 C ATOM 328 O VAL A 25 7.566 5.367 4.720 1.00 0.00 O ATOM 329 CB VAL A 25 9.484 2.838 5.293 1.00 0.00 C ATOM 330 CG1 VAL A 25 10.301 3.569 6.335 1.00 0.00 C ATOM 331 CG2 VAL A 25 8.176 2.334 5.885 1.00 0.00 C ATOM 0 H VAL A 25 11.162 3.244 3.470 1.00 0.00 H new ATOM 0 HA VAL A 25 8.422 3.285 3.482 1.00 0.00 H new ATOM 0 HB VAL A 25 10.060 1.976 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.478 2.911 7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.256 3.869 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.759 4.454 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.387 1.697 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.569 3.182 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.633 1.761 5.133 1.00 0.00 H new ATOM 341 N GLY A 26 9.723 6.021 4.733 1.00 0.00 N ATOM 342 CA GLY A 26 9.404 7.369 5.160 1.00 0.00 C ATOM 343 C GLY A 26 8.670 8.137 4.079 1.00 0.00 C ATOM 344 O GLY A 26 7.709 8.855 4.359 1.00 0.00 O ATOM 0 H GLY A 26 10.717 5.838 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.791 7.331 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.322 7.895 5.422 1.00 0.00 H new ATOM 348 N TYR A 27 9.130 7.984 2.838 1.00 0.00 N ATOM 349 CA TYR A 27 8.506 8.658 1.704 1.00 0.00 C ATOM 350 C TYR A 27 7.041 8.248 1.573 1.00 0.00 C ATOM 351 O TYR A 27 6.169 9.094 1.371 1.00 0.00 O ATOM 352 CB TYR A 27 9.259 8.343 0.408 1.00 0.00 C ATOM 353 CG TYR A 27 10.628 8.988 0.320 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.812 10.325 0.654 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.735 8.259 -0.100 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.058 10.917 0.571 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.984 8.845 -0.184 1.00 0.00 C ATOM 358 CZ TYR A 27 13.140 10.173 0.153 1.00 0.00 C ATOM 359 OH TYR A 27 14.382 10.760 0.069 1.00 0.00 O ATOM 0 H TYR A 27 9.930 7.401 2.594 1.00 0.00 H new ATOM 0 HA TYR A 27 8.552 9.732 1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.371 7.263 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.658 8.673 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.967 10.911 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.617 7.219 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.183 11.957 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.834 8.265 -0.512 1.00 0.00 H new ATOM 0 HH TYR A 27 15.036 10.099 -0.241 1.00 0.00 H new ATOM 369 N LEU A 28 6.776 6.947 1.688 1.00 0.00 N ATOM 370 CA LEU A 28 5.412 6.435 1.592 1.00 0.00 C ATOM 371 C LEU A 28 4.511 7.097 2.628 1.00 0.00 C ATOM 372 O LEU A 28 3.398 7.521 2.314 1.00 0.00 O ATOM 373 CB LEU A 28 5.387 4.915 1.783 1.00 0.00 C ATOM 374 CG LEU A 28 5.829 4.094 0.569 1.00 0.00 C ATOM 375 CD1 LEU A 28 7.337 4.137 0.409 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.345 2.657 0.691 1.00 0.00 C ATOM 0 H LEU A 28 7.486 6.232 1.847 1.00 0.00 H new ATOM 0 HA LEU A 28 5.038 6.672 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.030 4.661 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.374 4.616 2.053 1.00 0.00 H new ATOM 0 HG LEU A 28 5.380 4.535 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.628 3.547 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.659 5.169 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.809 3.726 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.669 2.089 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.762 2.208 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.257 2.643 0.749 1.00 0.00 H new ATOM 388 N GLU A 29 4.998 7.182 3.863 1.00 0.00 N ATOM 389 CA GLU A 29 4.237 7.795 4.947 1.00 0.00 C ATOM 390 C GLU A 29 3.795 9.205 4.573 1.00 0.00 C ATOM 391 O GLU A 29 2.664 9.606 4.854 1.00 0.00 O ATOM 392 CB GLU A 29 5.071 7.833 6.229 1.00 0.00 C ATOM 393 CG GLU A 29 5.355 6.456 6.808 1.00 0.00 C ATOM 394 CD GLU A 29 6.246 6.512 8.035 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.722 6.776 9.138 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.467 6.287 7.894 1.00 0.00 O ATOM 0 H GLU A 29 5.917 6.834 4.138 1.00 0.00 H new ATOM 0 HA GLU A 29 3.348 7.188 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.017 8.334 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.549 8.432 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.413 5.974 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.829 5.837 6.047 1.00 0.00 H new ATOM 403 N ASP A 30 4.692 9.953 3.940 1.00 0.00 N ATOM 404 CA ASP A 30 4.392 11.319 3.522 1.00 0.00 C ATOM 405 C ASP A 30 3.228 11.343 2.537 1.00 0.00 C ATOM 406 O ASP A 30 2.433 12.283 2.523 1.00 0.00 O ATOM 407 CB ASP A 30 5.625 11.963 2.887 1.00 0.00 C ATOM 408 CG ASP A 30 5.355 13.374 2.400 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.518 14.319 3.200 1.00 0.00 O ATOM 410 OD2 ASP A 30 4.981 13.534 1.219 1.00 0.00 O ATOM 0 H ASP A 30 5.633 9.637 3.705 1.00 0.00 H new ATOM 0 HA ASP A 30 4.108 11.889 4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.437 11.982 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.961 11.351 2.050 1.00 0.00 H new ATOM 415 N ILE A 31 3.131 10.300 1.718 1.00 0.00 N ATOM 416 CA ILE A 31 2.065 10.201 0.727 1.00 0.00 C ATOM 417 C ILE A 31 0.744 9.797 1.377 1.00 0.00 C ATOM 418 O ILE A 31 -0.318 10.291 1.001 1.00 0.00 O ATOM 419 CB ILE A 31 2.418 9.184 -0.379 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.758 9.546 -1.027 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.314 9.132 -1.426 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.244 8.524 -2.035 1.00 0.00 C ATOM 0 H ILE A 31 3.778 9.511 1.721 1.00 0.00 H new ATOM 0 HA ILE A 31 1.956 11.189 0.279 1.00 0.00 H new ATOM 0 HB ILE A 31 2.509 8.196 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.663 10.513 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.510 9.659 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.579 8.410 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.379 8.831 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.193 10.117 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.198 8.849 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.372 7.560 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.512 8.427 -2.837 1.00 0.00 H new ATOM 434 N ILE A 32 0.817 8.896 2.353 1.00 0.00 N ATOM 435 CA ILE A 32 -0.376 8.429 3.051 1.00 0.00 C ATOM 436 C ILE A 32 -1.065 9.572 3.791 1.00 0.00 C ATOM 437 O ILE A 32 -2.286 9.574 3.950 1.00 0.00 O ATOM 438 CB ILE A 32 -0.036 7.305 4.054 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.621 6.130 3.324 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.289 6.847 4.789 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.143 5.052 4.251 1.00 0.00 C ATOM 0 H ILE A 32 1.688 8.476 2.678 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.053 8.035 2.293 1.00 0.00 H new ATOM 0 HB ILE A 32 0.667 7.694 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.103 5.689 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.445 6.506 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.030 6.055 5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.719 7.688 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.016 6.470 4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.594 4.253 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.892 5.478 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.319 4.648 4.840 1.00 0.00 H new ATOM 453 N MET A 33 -0.277 10.545 4.236 1.00 0.00 N ATOM 454 CA MET A 33 -0.814 11.690 4.960 1.00 0.00 C ATOM 455 C MET A 33 -0.969 12.899 4.040 1.00 0.00 C ATOM 456 O MET A 33 -1.176 14.021 4.504 1.00 0.00 O ATOM 457 CB MET A 33 0.097 12.046 6.138 1.00 0.00 C ATOM 458 CG MET A 33 0.284 10.906 7.128 1.00 0.00 C ATOM 459 SD MET A 33 -1.260 10.400 7.907 1.00 0.00 S ATOM 460 CE MET A 33 -0.681 9.093 8.986 1.00 0.00 C ATOM 0 H MET A 33 0.735 10.563 4.108 1.00 0.00 H new ATOM 0 HA MET A 33 -1.800 11.417 5.337 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.072 12.347 5.755 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.319 12.907 6.662 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.723 10.052 6.613 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.992 11.212 7.899 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.524 8.678 9.539 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.216 8.308 8.390 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.049 9.497 9.687 1.00 0.00 H new ATOM 470 N ASP A 34 -0.871 12.665 2.733 1.00 0.00 N ATOM 471 CA ASP A 34 -1.001 13.738 1.752 1.00 0.00 C ATOM 472 C ASP A 34 -2.470 14.044 1.471 1.00 0.00 C ATOM 473 O ASP A 34 -3.293 13.136 1.368 1.00 0.00 O ATOM 474 CB ASP A 34 -0.289 13.356 0.453 1.00 0.00 C ATOM 475 CG ASP A 34 -0.230 14.505 -0.534 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.747 15.283 -0.481 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.157 14.626 -1.361 1.00 0.00 O ATOM 0 H ASP A 34 -0.702 11.743 2.330 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.536 14.633 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.724 13.024 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.805 12.513 -0.006 1.00 0.00 H new ATOM 482 N ASP A 35 -2.788 15.332 1.347 1.00 0.00 N ATOM 483 CA ASP A 35 -4.159 15.764 1.084 1.00 0.00 C ATOM 484 C ASP A 35 -4.718 15.110 -0.177 1.00 0.00 C ATOM 485 O ASP A 35 -5.836 14.595 -0.174 1.00 0.00 O ATOM 486 CB ASP A 35 -4.219 17.288 0.946 1.00 0.00 C ATOM 487 CG ASP A 35 -3.776 18.003 2.207 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.553 18.166 2.401 1.00 0.00 O ATOM 489 OD2 ASP A 35 -4.653 18.402 3.001 1.00 0.00 O ATOM 0 H ASP A 35 -2.114 16.094 1.425 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.771 15.452 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.587 17.599 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.238 17.588 0.701 1.00 0.00 H new ATOM 494 N GLU A 36 -3.937 15.136 -1.253 1.00 0.00 N ATOM 495 CA GLU A 36 -4.359 14.548 -2.521 1.00 0.00 C ATOM 496 C GLU A 36 -4.638 13.056 -2.367 1.00 0.00 C ATOM 497 O GLU A 36 -5.442 12.486 -3.107 1.00 0.00 O ATOM 498 CB GLU A 36 -3.291 14.771 -3.594 1.00 0.00 C ATOM 499 CG GLU A 36 -3.685 14.242 -4.964 1.00 0.00 C ATOM 500 CD GLU A 36 -2.624 14.496 -6.015 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.733 13.636 -6.179 1.00 0.00 O ATOM 502 OE2 GLU A 36 -2.684 15.554 -6.676 1.00 0.00 O ATOM 0 H GLU A 36 -3.009 15.558 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.281 15.041 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.083 15.838 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.366 14.288 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.873 13.171 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.619 14.710 -5.275 1.00 0.00 H new ATOM 509 N PHE A 37 -3.971 12.428 -1.405 1.00 0.00 N ATOM 510 CA PHE A 37 -4.147 11.002 -1.157 1.00 0.00 C ATOM 511 C PHE A 37 -5.437 10.734 -0.389 1.00 0.00 C ATOM 512 O PHE A 37 -6.118 9.739 -0.631 1.00 0.00 O ATOM 513 CB PHE A 37 -2.951 10.447 -0.382 1.00 0.00 C ATOM 514 CG PHE A 37 -3.053 8.978 -0.085 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.755 8.038 -1.058 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.445 8.538 1.170 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.847 6.686 -0.787 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.538 7.188 1.447 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.239 6.261 0.468 1.00 0.00 C ATOM 0 H PHE A 37 -3.303 12.884 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.212 10.498 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.042 10.631 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.853 10.992 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.447 8.366 -2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.680 9.259 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.613 5.963 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.844 6.858 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.311 5.205 0.683 1.00 0.00 H new ATOM 529 N GLN A 38 -5.765 11.624 0.544 1.00 0.00 N ATOM 530 CA GLN A 38 -6.976 11.478 1.343 1.00 0.00 C ATOM 531 C GLN A 38 -8.222 11.568 0.467 1.00 0.00 C ATOM 532 O GLN A 38 -9.166 10.795 0.631 1.00 0.00 O ATOM 533 CB GLN A 38 -7.027 12.556 2.430 1.00 0.00 C ATOM 534 CG GLN A 38 -5.810 12.569 3.339 1.00 0.00 C ATOM 535 CD GLN A 38 -5.689 11.314 4.182 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.228 11.236 5.285 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.973 10.322 3.664 1.00 0.00 N ATOM 0 H GLN A 38 -5.210 12.451 0.764 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.954 10.495 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.125 13.532 1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.920 12.405 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.911 12.681 2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.862 13.438 3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.543 10.429 2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.853 9.453 4.185 1.00 0.00 H new ATOM 546 N LEU A 39 -8.217 12.519 -0.464 1.00 0.00 N ATOM 547 CA LEU A 39 -9.347 12.717 -1.365 1.00 0.00 C ATOM 548 C LEU A 39 -9.472 11.560 -2.355 1.00 0.00 C ATOM 549 O LEU A 39 -10.563 11.034 -2.570 1.00 0.00 O ATOM 550 CB LEU A 39 -9.193 14.042 -2.121 1.00 0.00 C ATOM 551 CG LEU A 39 -10.475 14.589 -2.760 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.353 16.085 -2.998 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.777 13.867 -4.067 1.00 0.00 C ATOM 0 H LEU A 39 -7.442 13.165 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.256 12.750 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.803 14.791 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.446 13.909 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.302 14.412 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.271 16.457 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.186 16.592 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.513 16.280 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.691 14.271 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.949 14.010 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.908 12.802 -3.873 1.00 0.00 H new ATOM 565 N LEU A 40 -8.350 11.172 -2.954 1.00 0.00 N ATOM 566 CA LEU A 40 -8.334 10.086 -3.929 1.00 0.00 C ATOM 567 C LEU A 40 -8.786 8.768 -3.301 1.00 0.00 C ATOM 568 O LEU A 40 -9.649 8.077 -3.842 1.00 0.00 O ATOM 569 CB LEU A 40 -6.928 9.935 -4.524 1.00 0.00 C ATOM 570 CG LEU A 40 -6.784 8.868 -5.615 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.699 9.263 -6.605 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.462 7.512 -5.002 1.00 0.00 C ATOM 0 H LEU A 40 -7.438 11.595 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.036 10.336 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.622 10.896 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.234 9.700 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.734 8.793 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.610 8.495 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.960 10.213 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.748 9.365 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.364 6.769 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.526 7.577 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.265 7.218 -4.326 1.00 0.00 H new ATOM 584 N GLN A 41 -8.198 8.427 -2.159 1.00 0.00 N ATOM 585 CA GLN A 41 -8.530 7.187 -1.463 1.00 0.00 C ATOM 586 C GLN A 41 -10.009 7.132 -1.084 1.00 0.00 C ATOM 587 O GLN A 41 -10.680 6.129 -1.324 1.00 0.00 O ATOM 588 CB GLN A 41 -7.665 7.037 -0.210 1.00 0.00 C ATOM 589 CG GLN A 41 -7.926 5.753 0.563 1.00 0.00 C ATOM 590 CD GLN A 41 -7.034 5.615 1.782 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.628 6.609 2.385 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.726 4.377 2.153 1.00 0.00 N ATOM 0 H GLN A 41 -7.488 8.993 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.328 6.361 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.614 7.070 -0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.842 7.889 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.970 5.728 0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.770 4.899 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.085 3.582 1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.131 4.222 2.967 1.00 0.00 H new ATOM 601 N ARG A 42 -10.511 8.212 -0.493 1.00 0.00 N ATOM 602 CA ARG A 42 -11.908 8.274 -0.072 1.00 0.00 C ATOM 603 C ARG A 42 -12.857 8.320 -1.268 1.00 0.00 C ATOM 604 O ARG A 42 -13.973 7.802 -1.204 1.00 0.00 O ATOM 605 CB ARG A 42 -12.140 9.492 0.826 1.00 0.00 C ATOM 606 CG ARG A 42 -13.560 9.593 1.363 1.00 0.00 C ATOM 607 CD ARG A 42 -13.746 10.833 2.223 1.00 0.00 C ATOM 608 NE ARG A 42 -15.102 10.928 2.757 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.495 11.864 3.617 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.635 12.779 4.046 1.00 0.00 N ATOM 611 NH2 ARG A 42 -16.748 11.886 4.052 1.00 0.00 N ATOM 0 H ARG A 42 -9.973 9.055 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.121 7.365 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.445 9.451 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.908 10.397 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.263 9.618 0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.792 8.704 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.032 10.814 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.526 11.721 1.631 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.788 10.237 2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.670 12.766 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.939 13.495 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.413 11.184 3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.046 12.605 4.711 1.00 0.00 H new ATOM 625 N ASN A 43 -12.412 8.942 -2.355 1.00 0.00 N ATOM 626 CA ASN A 43 -13.233 9.064 -3.557 1.00 0.00 C ATOM 627 C ASN A 43 -13.589 7.698 -4.136 1.00 0.00 C ATOM 628 O ASN A 43 -14.750 7.430 -4.448 1.00 0.00 O ATOM 629 CB ASN A 43 -12.504 9.895 -4.614 1.00 0.00 C ATOM 630 CG ASN A 43 -13.330 10.081 -5.871 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.258 9.276 -6.801 1.00 0.00 O ATOM 632 ND2 ASN A 43 -14.122 11.145 -5.906 1.00 0.00 N ATOM 0 H ASN A 43 -11.489 9.369 -2.429 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.159 9.564 -3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.256 10.871 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.563 9.409 -4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.702 11.322 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.150 11.786 -5.113 1.00 0.00 H new ATOM 639 N PHE A 44 -12.587 6.838 -4.279 1.00 0.00 N ATOM 640 CA PHE A 44 -12.798 5.506 -4.836 1.00 0.00 C ATOM 641 C PHE A 44 -13.408 4.555 -3.810 1.00 0.00 C ATOM 642 O PHE A 44 -14.309 3.783 -4.132 1.00 0.00 O ATOM 643 CB PHE A 44 -11.480 4.935 -5.361 1.00 0.00 C ATOM 644 CG PHE A 44 -11.079 5.491 -6.699 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.479 6.737 -6.797 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.305 4.768 -7.860 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.112 7.250 -8.028 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.940 5.275 -9.093 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.342 6.518 -9.176 1.00 0.00 C ATOM 0 H PHE A 44 -11.622 7.038 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.503 5.603 -5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.690 5.141 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.567 3.851 -5.438 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.296 7.313 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.772 3.796 -7.800 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.646 8.222 -8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.122 4.701 -9.990 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.055 6.917 -10.138 1.00 0.00 H new ATOM 659 N MET A 45 -12.916 4.614 -2.576 1.00 0.00 N ATOM 660 CA MET A 45 -13.418 3.744 -1.517 1.00 0.00 C ATOM 661 C MET A 45 -14.911 3.970 -1.291 1.00 0.00 C ATOM 662 O MET A 45 -15.622 3.073 -0.839 1.00 0.00 O ATOM 663 CB MET A 45 -12.645 3.980 -0.215 1.00 0.00 C ATOM 664 CG MET A 45 -13.225 5.080 0.661 1.00 0.00 C ATOM 665 SD MET A 45 -12.262 5.355 2.160 1.00 0.00 S ATOM 666 CE MET A 45 -12.374 3.744 2.937 1.00 0.00 C ATOM 0 H MET A 45 -12.174 5.251 -2.286 1.00 0.00 H new ATOM 0 HA MET A 45 -13.269 2.711 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.622 3.051 0.355 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.612 4.231 -0.458 1.00 0.00 H new ATOM 0 HG2 MET A 45 -13.273 6.007 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.248 4.821 0.934 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.134 3.834 3.996 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.387 3.356 2.826 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.670 3.061 2.462 1.00 0.00 H new ATOM 676 N ASP A 46 -15.376 5.174 -1.609 1.00 0.00 N ATOM 677 CA ASP A 46 -16.782 5.523 -1.441 1.00 0.00 C ATOM 678 C ASP A 46 -17.675 4.626 -2.294 1.00 0.00 C ATOM 679 O ASP A 46 -18.813 4.339 -1.928 1.00 0.00 O ATOM 680 CB ASP A 46 -17.013 6.989 -1.810 1.00 0.00 C ATOM 681 CG ASP A 46 -18.436 7.437 -1.539 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.298 7.242 -2.421 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.688 7.982 -0.445 1.00 0.00 O ATOM 0 H ASP A 46 -14.798 5.926 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.043 5.372 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.324 7.616 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.784 7.135 -2.866 1.00 0.00 H new ATOM 688 N LYS A 47 -17.151 4.192 -3.436 1.00 0.00 N ATOM 689 CA LYS A 47 -17.900 3.326 -4.343 1.00 0.00 C ATOM 690 C LYS A 47 -17.644 1.855 -4.031 1.00 0.00 C ATOM 691 O LYS A 47 -18.556 1.029 -4.078 1.00 0.00 O ATOM 692 CB LYS A 47 -17.511 3.618 -5.792 1.00 0.00 C ATOM 693 CG LYS A 47 -17.878 5.018 -6.258 1.00 0.00 C ATOM 694 CD LYS A 47 -19.384 5.198 -6.365 1.00 0.00 C ATOM 695 CE LYS A 47 -19.743 6.590 -6.859 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.214 6.764 -7.006 1.00 0.00 N ATOM 0 H LYS A 47 -16.211 4.425 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.962 3.531 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.436 3.478 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.997 2.890 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.472 5.752 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.419 5.211 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.794 4.452 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.842 5.027 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.357 7.334 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.258 6.771 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.418 7.726 -7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.579 6.071 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.675 6.616 -6.085 1.00 0.00 H new ATOM 710 N TYR A 48 -16.394 1.539 -3.714 1.00 0.00 N ATOM 711 CA TYR A 48 -15.999 0.171 -3.401 1.00 0.00 C ATOM 712 C TYR A 48 -16.797 -0.394 -2.226 1.00 0.00 C ATOM 713 O TYR A 48 -17.425 -1.445 -2.346 1.00 0.00 O ATOM 714 CB TYR A 48 -14.503 0.114 -3.089 1.00 0.00 C ATOM 715 CG TYR A 48 -13.611 0.142 -4.315 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.805 1.077 -5.325 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.571 -0.769 -4.458 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.989 1.102 -6.441 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.750 -0.748 -5.570 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.964 0.189 -6.558 1.00 0.00 C ATOM 721 OH TYR A 48 -11.149 0.212 -7.665 1.00 0.00 O ATOM 0 H TYR A 48 -15.633 2.216 -3.667 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.213 -0.443 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.245 0.956 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.296 -0.794 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.606 1.796 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.401 -1.506 -3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.154 1.834 -7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.945 -1.462 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.490 0.868 -8.308 1.00 0.00 H new ATOM 731 N TYR A 49 -16.772 0.306 -1.094 1.00 0.00 N ATOM 732 CA TYR A 49 -17.482 -0.148 0.101 1.00 0.00 C ATOM 733 C TYR A 49 -18.975 -0.342 -0.172 1.00 0.00 C ATOM 734 O TYR A 49 -19.662 -1.038 0.576 1.00 0.00 O ATOM 735 CB TYR A 49 -17.266 0.835 1.262 1.00 0.00 C ATOM 736 CG TYR A 49 -18.395 1.823 1.473 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.429 3.030 0.787 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.426 1.549 2.367 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.455 3.935 0.984 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.455 2.449 2.568 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.465 3.639 1.874 1.00 0.00 C ATOM 742 OH TYR A 49 -21.488 4.538 2.073 1.00 0.00 O ATOM 0 H TYR A 49 -16.270 1.186 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.071 -1.117 0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.123 0.266 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.345 1.389 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.640 3.266 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.422 0.617 2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.465 4.870 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.247 2.221 3.266 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.118 4.176 2.731 1.00 0.00 H new ATOM 752 N LEU A 50 -19.471 0.272 -1.242 1.00 0.00 N ATOM 753 CA LEU A 50 -20.881 0.158 -1.598 1.00 0.00 C ATOM 754 C LEU A 50 -21.177 -1.188 -2.251 1.00 0.00 C ATOM 755 O LEU A 50 -22.111 -1.887 -1.860 1.00 0.00 O ATOM 756 CB LEU A 50 -21.290 1.292 -2.538 1.00 0.00 C ATOM 757 CG LEU A 50 -21.429 2.667 -1.880 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.684 3.737 -2.928 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.547 2.652 -0.849 1.00 0.00 C ATOM 0 H LEU A 50 -18.920 0.851 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.462 0.230 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.553 1.363 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.241 1.032 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.494 2.902 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.780 4.708 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.851 3.764 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.604 3.508 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.632 3.637 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.488 2.396 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.323 1.912 -0.080 1.00 0.00 H new ATOM 771 N GLU A 51 -20.374 -1.544 -3.248 1.00 0.00 N ATOM 772 CA GLU A 51 -20.553 -2.805 -3.960 1.00 0.00 C ATOM 773 C GLU A 51 -20.191 -3.994 -3.074 1.00 0.00 C ATOM 774 O GLU A 51 -20.799 -5.061 -3.171 1.00 0.00 O ATOM 775 CB GLU A 51 -19.703 -2.821 -5.231 1.00 0.00 C ATOM 776 CG GLU A 51 -20.055 -1.711 -6.210 1.00 0.00 C ATOM 777 CD GLU A 51 -19.195 -1.739 -7.458 1.00 0.00 C ATOM 778 OE1 GLU A 51 -19.578 -2.429 -8.428 1.00 0.00 O ATOM 779 OE2 GLU A 51 -18.140 -1.074 -7.466 1.00 0.00 O ATOM 0 H GLU A 51 -19.594 -0.978 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.605 -2.891 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.652 -2.733 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.823 -3.784 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.104 -1.801 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.940 -0.746 -5.716 1.00 0.00 H new ATOM 786 N PHE A 52 -19.201 -3.804 -2.206 1.00 0.00 N ATOM 787 CA PHE A 52 -18.761 -4.866 -1.307 1.00 0.00 C ATOM 788 C PHE A 52 -19.717 -5.020 -0.131 1.00 0.00 C ATOM 789 O PHE A 52 -19.529 -4.412 0.923 1.00 0.00 O ATOM 790 CB PHE A 52 -17.345 -4.584 -0.798 1.00 0.00 C ATOM 791 CG PHE A 52 -16.268 -4.932 -1.787 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.107 -4.191 -2.947 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.419 -6.001 -1.556 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.118 -4.512 -3.857 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.428 -6.327 -2.462 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.277 -5.580 -3.615 1.00 0.00 C ATOM 0 H PHE A 52 -18.690 -2.927 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.756 -5.800 -1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.264 -3.528 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.179 -5.148 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.761 -3.354 -3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.533 -6.587 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -15.003 -3.927 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.773 -7.164 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.503 -5.831 -4.325 1.00 0.00 H new ATOM 806 N GLU A 53 -20.749 -5.835 -0.325 1.00 0.00 N ATOM 807 CA GLU A 53 -21.740 -6.079 0.717 1.00 0.00 C ATOM 808 C GLU A 53 -21.529 -7.445 1.360 1.00 0.00 C ATOM 809 O GLU A 53 -20.977 -8.356 0.742 1.00 0.00 O ATOM 810 CB GLU A 53 -23.151 -5.988 0.132 1.00 0.00 C ATOM 811 CG GLU A 53 -23.389 -6.937 -1.032 1.00 0.00 C ATOM 812 CD GLU A 53 -24.774 -6.790 -1.629 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.947 -5.941 -2.528 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.687 -7.527 -1.198 1.00 0.00 O ATOM 0 H GLU A 53 -20.921 -6.338 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.621 -5.316 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.876 -6.201 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.332 -4.966 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.643 -6.753 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.250 -7.964 -0.693 1.00 0.00 H new ATOM 821 N ASP A 54 -21.971 -7.581 2.606 1.00 0.00 N ATOM 822 CA ASP A 54 -21.833 -8.837 3.336 1.00 0.00 C ATOM 823 C ASP A 54 -22.841 -9.868 2.839 1.00 0.00 C ATOM 824 O ASP A 54 -24.011 -9.842 3.222 1.00 0.00 O ATOM 825 CB ASP A 54 -22.019 -8.600 4.837 1.00 0.00 C ATOM 826 CG ASP A 54 -21.896 -9.876 5.645 1.00 0.00 C ATOM 827 OD1 ASP A 54 -20.752 -10.309 5.901 1.00 0.00 O ATOM 828 OD2 ASP A 54 -22.942 -10.442 6.022 1.00 0.00 O ATOM 0 H ASP A 54 -22.428 -6.836 3.132 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.830 -9.225 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.276 -7.881 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.998 -8.155 5.013 1.00 0.00 H new ATOM 833 N THR A 55 -22.380 -10.771 1.979 1.00 0.00 N ATOM 834 CA THR A 55 -23.238 -11.812 1.426 1.00 0.00 C ATOM 835 C THR A 55 -22.488 -13.134 1.299 1.00 0.00 C ATOM 836 O THR A 55 -21.259 -13.169 1.362 1.00 0.00 O ATOM 837 CB THR A 55 -23.785 -11.413 0.042 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.700 -11.116 -0.847 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.702 -10.205 0.148 1.00 0.00 C ATOM 0 H THR A 55 -21.415 -10.802 1.650 1.00 0.00 H new ATOM 0 HA THR A 55 -24.071 -11.934 2.118 1.00 0.00 H new ATOM 0 HB THR A 55 -24.359 -12.252 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.574 -11.862 -1.470 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.075 -9.943 -0.842 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.542 -10.442 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.148 -9.362 0.561 1.00 0.00 H new ATOM 847 N GLU A 56 -23.236 -14.219 1.119 1.00 0.00 N ATOM 848 CA GLU A 56 -22.641 -15.544 0.986 1.00 0.00 C ATOM 849 C GLU A 56 -22.413 -15.896 -0.481 1.00 0.00 C ATOM 850 O GLU A 56 -21.935 -16.986 -0.799 1.00 0.00 O ATOM 851 CB GLU A 56 -23.537 -16.598 1.638 1.00 0.00 C ATOM 852 CG GLU A 56 -24.923 -16.688 1.017 1.00 0.00 C ATOM 853 CD GLU A 56 -25.762 -17.795 1.623 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.448 -17.535 2.633 1.00 0.00 O ATOM 855 OE2 GLU A 56 -25.736 -18.922 1.085 1.00 0.00 O ATOM 0 H GLU A 56 -24.254 -14.206 1.062 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.676 -15.531 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.051 -17.571 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.638 -16.371 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.437 -15.736 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.826 -16.856 -0.056 1.00 0.00 H new ATOM 862 N GLU A 57 -22.757 -14.971 -1.371 1.00 0.00 N ATOM 863 CA GLU A 57 -22.590 -15.188 -2.803 1.00 0.00 C ATOM 864 C GLU A 57 -21.636 -14.160 -3.401 1.00 0.00 C ATOM 865 O GLU A 57 -21.736 -12.965 -3.119 1.00 0.00 O ATOM 866 CB GLU A 57 -23.944 -15.121 -3.513 1.00 0.00 C ATOM 867 CG GLU A 57 -23.869 -15.452 -4.994 1.00 0.00 C ATOM 868 CD GLU A 57 -25.210 -15.323 -5.690 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.043 -16.243 -5.550 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.427 -14.301 -6.375 1.00 0.00 O ATOM 0 H GLU A 57 -23.153 -14.064 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.162 -16.180 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.634 -15.812 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.359 -14.120 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.149 -14.789 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -23.497 -16.469 -5.117 1.00 0.00 H new ATOM 877 N ASN A 58 -20.711 -14.632 -4.230 1.00 0.00 N ATOM 878 CA ASN A 58 -19.736 -13.756 -4.873 1.00 0.00 C ATOM 879 C ASN A 58 -20.085 -13.544 -6.342 1.00 0.00 C ATOM 880 O ASN A 58 -20.698 -14.405 -6.974 1.00 0.00 O ATOM 881 CB ASN A 58 -18.332 -14.348 -4.751 1.00 0.00 C ATOM 882 CG ASN A 58 -17.909 -14.542 -3.308 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.318 -13.651 -2.697 1.00 0.00 O ATOM 884 ND2 ASN A 58 -18.211 -15.711 -2.755 1.00 0.00 N ATOM 0 H ASN A 58 -20.615 -15.618 -4.473 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.761 -12.790 -4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.299 -15.307 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.619 -13.692 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.952 -15.899 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.702 -16.421 -3.299 1.00 0.00 H new ATOM 891 N LYS A 59 -19.690 -12.393 -6.880 1.00 0.00 N ATOM 892 CA LYS A 59 -19.964 -12.069 -8.276 1.00 0.00 C ATOM 893 C LYS A 59 -18.669 -11.884 -9.061 1.00 0.00 C ATOM 894 O LYS A 59 -17.582 -11.837 -8.484 1.00 0.00 O ATOM 895 CB LYS A 59 -20.822 -10.806 -8.368 1.00 0.00 C ATOM 896 CG LYS A 59 -22.153 -10.925 -7.643 1.00 0.00 C ATOM 897 CD LYS A 59 -23.002 -9.676 -7.818 1.00 0.00 C ATOM 898 CE LYS A 59 -22.371 -8.468 -7.144 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.189 -7.238 -7.329 1.00 0.00 N ATOM 0 H LYS A 59 -19.180 -11.671 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.511 -12.903 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.265 -9.966 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.008 -10.578 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.697 -11.791 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.975 -11.098 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.134 -9.472 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.994 -9.849 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.252 -8.668 -6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.373 -8.305 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.724 -6.438 -6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.282 -7.032 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.133 -7.384 -6.918 1.00 0.00 H new ATOM 913 N LEU A 60 -18.793 -11.786 -10.381 1.00 0.00 N ATOM 914 CA LEU A 60 -17.636 -11.613 -11.252 1.00 0.00 C ATOM 915 C LEU A 60 -17.175 -10.157 -11.274 1.00 0.00 C ATOM 916 O LEU A 60 -16.095 -9.851 -11.776 1.00 0.00 O ATOM 917 CB LEU A 60 -17.961 -12.067 -12.682 1.00 0.00 C ATOM 918 CG LEU A 60 -18.252 -13.562 -12.862 1.00 0.00 C ATOM 919 CD1 LEU A 60 -17.132 -14.411 -12.276 1.00 0.00 C ATOM 920 CD2 LEU A 60 -19.589 -13.932 -12.237 1.00 0.00 C ATOM 0 H LEU A 60 -19.686 -11.824 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.831 -12.230 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.826 -11.504 -13.033 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.123 -11.800 -13.326 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.307 -13.766 -13.931 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.364 -15.467 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -16.195 -14.175 -12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -17.035 -14.200 -11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -19.774 -14.997 -12.377 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -19.568 -13.705 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -20.385 -13.360 -12.714 1.00 0.00 H new ATOM 932 N ILE A 61 -18.000 -9.268 -10.729 1.00 0.00 N ATOM 933 CA ILE A 61 -17.680 -7.843 -10.697 1.00 0.00 C ATOM 934 C ILE A 61 -16.524 -7.550 -9.743 1.00 0.00 C ATOM 935 O ILE A 61 -15.901 -6.486 -9.810 1.00 0.00 O ATOM 936 CB ILE A 61 -18.910 -7.008 -10.283 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.655 -5.516 -10.512 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.268 -7.273 -8.828 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.526 -5.141 -11.973 1.00 0.00 C ATOM 0 H ILE A 61 -18.895 -9.508 -10.303 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.380 -7.562 -11.706 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.753 -7.308 -10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.471 -4.944 -10.069 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.743 -5.227 -9.989 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.137 -6.676 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.497 -8.330 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.426 -7.003 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.346 -4.069 -12.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.692 -5.685 -12.416 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.446 -5.398 -12.497 1.00 0.00 H new ATOM 951 N TYR A 62 -16.233 -8.499 -8.862 1.00 0.00 N ATOM 952 CA TYR A 62 -15.155 -8.337 -7.896 1.00 0.00 C ATOM 953 C TYR A 62 -13.785 -8.407 -8.570 1.00 0.00 C ATOM 954 O TYR A 62 -12.796 -7.909 -8.029 1.00 0.00 O ATOM 955 CB TYR A 62 -15.257 -9.399 -6.800 1.00 0.00 C ATOM 956 CG TYR A 62 -16.417 -9.180 -5.852 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.703 -9.582 -6.190 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.223 -8.571 -4.619 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.762 -9.381 -5.327 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.277 -8.368 -3.749 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.544 -8.775 -4.108 1.00 0.00 C ATOM 962 OH TYR A 62 -19.597 -8.573 -3.245 1.00 0.00 O ATOM 0 H TYR A 62 -16.728 -9.388 -8.797 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.259 -7.350 -7.446 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.358 -10.380 -7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.329 -9.410 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.877 -10.059 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.231 -8.251 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.756 -9.697 -5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.109 -7.893 -2.794 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.273 -8.136 -2.430 1.00 0.00 H new ATOM 972 N THR A 63 -13.728 -9.017 -9.753 1.00 0.00 N ATOM 973 CA THR A 63 -12.467 -9.140 -10.478 1.00 0.00 C ATOM 974 C THR A 63 -12.050 -7.807 -11.114 1.00 0.00 C ATOM 975 O THR A 63 -10.926 -7.352 -10.904 1.00 0.00 O ATOM 976 CB THR A 63 -12.526 -10.240 -11.562 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.886 -11.494 -10.968 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.185 -10.378 -12.268 1.00 0.00 C ATOM 0 H THR A 63 -14.533 -9.430 -10.225 1.00 0.00 H new ATOM 0 HA THR A 63 -11.717 -9.427 -9.741 1.00 0.00 H new ATOM 0 HB THR A 63 -13.279 -9.954 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.923 -12.186 -11.661 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.252 -11.158 -13.026 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.925 -9.432 -12.743 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.417 -10.643 -11.541 1.00 0.00 H new ATOM 986 N PRO A 64 -12.936 -7.152 -11.902 1.00 0.00 N ATOM 987 CA PRO A 64 -12.616 -5.864 -12.529 1.00 0.00 C ATOM 988 C PRO A 64 -12.334 -4.781 -11.493 1.00 0.00 C ATOM 989 O PRO A 64 -11.386 -4.008 -11.634 1.00 0.00 O ATOM 990 CB PRO A 64 -13.875 -5.521 -13.336 1.00 0.00 C ATOM 991 CG PRO A 64 -14.583 -6.818 -13.507 1.00 0.00 C ATOM 992 CD PRO A 64 -14.290 -7.606 -12.265 1.00 0.00 C ATOM 0 HA PRO A 64 -11.716 -5.923 -13.141 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.497 -4.797 -12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.619 -5.080 -14.299 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.655 -6.666 -13.630 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.231 -7.342 -14.396 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.012 -7.399 -11.475 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.320 -8.680 -12.451 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.164 -4.730 -10.451 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.993 -3.743 -9.389 1.00 0.00 C ATOM 1002 C ILE A 65 -11.629 -3.897 -8.724 1.00 0.00 C ATOM 1003 O ILE A 65 -10.926 -2.913 -8.486 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.098 -3.868 -8.320 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.468 -3.593 -8.942 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.835 -2.912 -7.164 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.625 -3.858 -8.002 1.00 0.00 C ATOM 0 H ILE A 65 -13.957 -5.358 -10.321 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.063 -2.758 -9.850 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.090 -4.886 -7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.507 -2.554 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.585 -4.212 -9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.625 -3.015 -6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.874 -3.149 -6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.818 -1.888 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.564 -3.641 -8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.612 -4.904 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.533 -3.220 -7.123 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.260 -5.140 -8.426 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.978 -5.426 -7.792 1.00 0.00 C ATOM 1021 C PHE A 66 -8.823 -4.961 -8.672 1.00 0.00 C ATOM 1022 O PHE A 66 -7.839 -4.410 -8.180 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.850 -6.924 -7.510 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.574 -7.295 -6.806 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.418 -7.042 -5.453 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.534 -7.893 -7.498 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.246 -7.379 -4.803 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.359 -8.233 -6.853 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.216 -7.976 -5.503 1.00 0.00 C ATOM 0 H PHE A 66 -11.831 -5.964 -8.614 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.935 -4.881 -6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.697 -7.245 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.908 -7.469 -8.452 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.221 -6.577 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.642 -8.096 -8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.136 -7.176 -3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.555 -8.698 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.300 -8.242 -4.996 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.951 -5.186 -9.977 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.917 -4.787 -10.926 1.00 0.00 C ATOM 1041 C ASN A 67 -7.782 -3.270 -10.972 1.00 0.00 C ATOM 1042 O ASN A 67 -6.714 -2.742 -11.283 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.242 -5.326 -12.321 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.251 -6.841 -12.368 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.519 -7.502 -11.631 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.086 -7.400 -13.237 1.00 0.00 N ATOM 0 H ASN A 67 -9.759 -5.642 -10.400 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.968 -5.209 -10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.216 -4.950 -12.635 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.509 -4.948 -13.034 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.139 -8.416 -13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.675 -6.813 -13.828 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.871 -2.576 -10.660 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.879 -1.118 -10.659 1.00 0.00 C ATOM 1055 C GLU A 68 -8.086 -0.576 -9.473 1.00 0.00 C ATOM 1056 O GLU A 68 -7.398 0.438 -9.584 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.316 -0.596 -10.613 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.416 0.918 -10.679 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.851 1.407 -10.691 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.411 1.632 -9.598 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.415 1.566 -11.795 1.00 0.00 O ATOM 0 H GLU A 68 -9.762 -3.001 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.407 -0.772 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.876 -1.025 -11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.791 -0.943 -9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.896 1.350 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.907 1.273 -11.575 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.195 -1.257 -8.336 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.483 -0.854 -7.127 1.00 0.00 C ATOM 1070 C TYR A 69 -5.983 -1.099 -7.279 1.00 0.00 C ATOM 1071 O TYR A 69 -5.159 -0.297 -6.835 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.025 -1.629 -5.921 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.537 -1.110 -4.586 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.237 -0.117 -3.911 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.386 -1.616 -3.997 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.801 0.358 -2.688 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.943 -1.147 -2.774 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.655 -0.160 -2.124 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.220 0.309 -0.906 1.00 0.00 O ATOM 0 H TYR A 69 -8.771 -2.092 -8.226 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.642 0.212 -6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.114 -1.591 -5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.741 -2.677 -6.018 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.136 0.290 -4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.827 -2.389 -4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.356 1.131 -2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.045 -1.551 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.747 -0.406 -0.430 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.641 -2.215 -7.913 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.248 -2.581 -8.134 1.00 0.00 C ATOM 1091 C ILE A 70 -3.612 -1.717 -9.221 1.00 0.00 C ATOM 1092 O ILE A 70 -2.408 -1.477 -9.212 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.119 -4.066 -8.533 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.775 -4.965 -7.477 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.657 -4.445 -8.727 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.136 -4.873 -6.106 1.00 0.00 C ATOM 0 H ILE A 70 -6.314 -2.885 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.724 -2.414 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.638 -4.213 -9.480 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.829 -4.700 -7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.732 -5.999 -7.818 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.588 -5.496 -9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.223 -3.829 -9.515 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.112 -4.281 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.657 -5.538 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.088 -5.167 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.203 -3.848 -5.742 1.00 0.00 H new ATOM 1108 N SER A 71 -4.428 -1.258 -10.162 1.00 0.00 N ATOM 1109 CA SER A 71 -3.933 -0.434 -11.259 1.00 0.00 C ATOM 1110 C SER A 71 -3.837 1.040 -10.867 1.00 0.00 C ATOM 1111 O SER A 71 -2.927 1.745 -11.302 1.00 0.00 O ATOM 1112 CB SER A 71 -4.841 -0.585 -12.482 1.00 0.00 C ATOM 1113 OG SER A 71 -4.387 0.219 -13.557 1.00 0.00 O ATOM 0 H SER A 71 -5.431 -1.441 -10.188 1.00 0.00 H new ATOM 0 HA SER A 71 -2.929 -0.781 -11.501 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.868 -1.630 -12.792 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.861 -0.304 -12.219 1.00 0.00 H new ATOM 0 HG SER A 71 -4.983 0.103 -14.326 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.778 1.506 -10.052 1.00 0.00 N ATOM 1120 CA LEU A 72 -4.793 2.905 -9.632 1.00 0.00 C ATOM 1121 C LEU A 72 -3.980 3.145 -8.359 1.00 0.00 C ATOM 1122 O LEU A 72 -2.999 3.886 -8.370 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.230 3.373 -9.408 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.379 4.864 -9.103 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.841 5.619 -10.339 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.342 5.078 -7.947 1.00 0.00 C ATOM 0 H LEU A 72 -5.536 0.940 -9.671 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.330 3.479 -10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.816 3.138 -10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.658 2.803 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.405 5.256 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.941 6.678 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.109 5.493 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.804 5.228 -10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.436 6.145 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.319 4.671 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.963 4.572 -7.059 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.396 2.506 -7.268 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.740 2.679 -5.972 1.00 0.00 C ATOM 1140 C VAL A 73 -2.308 2.150 -5.952 1.00 0.00 C ATOM 1141 O VAL A 73 -1.369 2.902 -5.684 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.540 1.993 -4.850 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.922 2.287 -3.491 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -5.994 2.436 -4.889 1.00 0.00 C ATOM 0 H VAL A 73 -5.187 1.862 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.704 3.755 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.505 0.915 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.503 1.793 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.897 1.916 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.922 3.363 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.546 1.942 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.049 3.516 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.430 2.168 -5.851 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.139 0.860 -6.227 1.00 0.00 N ATOM 1155 CA GLU A 74 -0.810 0.250 -6.209 1.00 0.00 C ATOM 1156 C GLU A 74 0.173 1.042 -7.068 1.00 0.00 C ATOM 1157 O GLU A 74 1.297 1.318 -6.645 1.00 0.00 O ATOM 1158 CB GLU A 74 -0.876 -1.199 -6.690 1.00 0.00 C ATOM 1159 CG GLU A 74 0.369 -2.008 -6.363 1.00 0.00 C ATOM 1160 CD GLU A 74 0.222 -3.473 -6.720 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.332 -4.231 -5.896 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.659 -3.862 -7.822 1.00 0.00 O ATOM 0 H GLU A 74 -2.897 0.220 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.453 0.264 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.742 -1.683 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.032 -1.208 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.221 -1.591 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.588 -1.917 -5.299 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.255 1.412 -8.271 1.00 0.00 N ATOM 1170 CA LYS A 75 0.596 2.174 -9.177 1.00 0.00 C ATOM 1171 C LYS A 75 0.759 3.613 -8.694 1.00 0.00 C ATOM 1172 O LYS A 75 1.747 4.271 -9.013 1.00 0.00 O ATOM 1173 CB LYS A 75 0.029 2.158 -10.598 1.00 0.00 C ATOM 1174 CG LYS A 75 0.033 0.778 -11.239 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.348 0.846 -12.710 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.292 -0.524 -13.364 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.063 -1.134 -13.264 1.00 0.00 N ATOM 0 H LYS A 75 -1.182 1.198 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 75 1.577 1.700 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.993 2.537 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.609 2.840 -11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.022 0.332 -11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.665 0.128 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.353 1.256 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.326 1.526 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.022 -1.182 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.574 -0.437 -14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.140 -1.922 -13.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.783 -0.417 -13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.213 -1.489 -12.298 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.215 4.102 -7.929 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.158 5.463 -7.405 1.00 0.00 C ATOM 1193 C TYR A 76 1.086 5.648 -6.539 1.00 0.00 C ATOM 1194 O TYR A 76 1.813 6.630 -6.680 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.414 5.783 -6.588 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.493 7.225 -6.134 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -2.087 8.192 -6.935 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -0.977 7.618 -4.905 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -2.163 9.509 -6.527 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.051 8.935 -4.489 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.644 9.876 -5.303 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.720 11.188 -4.891 1.00 0.00 O ATOM 0 H TYR A 76 -1.048 3.579 -7.660 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.108 6.150 -8.250 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.295 5.551 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.443 5.134 -5.713 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.496 7.909 -7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.511 6.884 -4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.627 10.248 -7.163 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.646 9.225 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.653 11.780 -5.669 1.00 0.00 H new ATOM 1212 N ILE A 77 1.323 4.690 -5.648 1.00 0.00 N ATOM 1213 CA ILE A 77 2.477 4.741 -4.757 1.00 0.00 C ATOM 1214 C ILE A 77 3.777 4.505 -5.519 1.00 0.00 C ATOM 1215 O ILE A 77 4.752 5.235 -5.344 1.00 0.00 O ATOM 1216 CB ILE A 77 2.363 3.691 -3.632 1.00 0.00 C ATOM 1217 CG1 ILE A 77 1.038 3.850 -2.881 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.541 3.814 -2.675 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.780 2.756 -1.867 1.00 0.00 C ATOM 0 H ILE A 77 0.731 3.869 -5.524 1.00 0.00 H new ATOM 0 HA ILE A 77 2.491 5.739 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 77 2.383 2.697 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.032 4.814 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.221 3.865 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.448 3.068 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.471 3.652 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.548 4.810 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.176 2.935 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.753 1.791 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.577 2.754 -1.123 1.00 0.00 H new ATOM 1231 N GLU A 78 3.782 3.478 -6.365 1.00 0.00 N ATOM 1232 CA GLU A 78 4.966 3.133 -7.148 1.00 0.00 C ATOM 1233 C GLU A 78 5.449 4.311 -7.994 1.00 0.00 C ATOM 1234 O GLU A 78 6.626 4.669 -7.956 1.00 0.00 O ATOM 1235 CB GLU A 78 4.664 1.934 -8.050 1.00 0.00 C ATOM 1236 CG GLU A 78 5.854 1.478 -8.878 1.00 0.00 C ATOM 1237 CD GLU A 78 5.548 0.251 -9.713 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.008 0.410 -10.828 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.849 -0.870 -9.253 1.00 0.00 O ATOM 0 H GLU A 78 2.979 2.870 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 78 5.762 2.876 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.322 1.103 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.844 2.192 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.168 2.290 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.692 1.262 -8.215 1.00 0.00 H new ATOM 1246 N GLU A 79 4.535 4.912 -8.748 1.00 0.00 N ATOM 1247 CA GLU A 79 4.872 6.041 -9.611 1.00 0.00 C ATOM 1248 C GLU A 79 5.439 7.212 -8.812 1.00 0.00 C ATOM 1249 O GLU A 79 6.481 7.767 -9.167 1.00 0.00 O ATOM 1250 CB GLU A 79 3.639 6.495 -10.396 1.00 0.00 C ATOM 1251 CG GLU A 79 3.178 5.490 -11.439 1.00 0.00 C ATOM 1252 CD GLU A 79 4.234 5.218 -12.493 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.272 5.958 -13.499 1.00 0.00 O ATOM 1254 OE2 GLU A 79 5.021 4.265 -12.314 1.00 0.00 O ATOM 0 H GLU A 79 3.553 4.637 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 79 5.641 5.705 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.823 6.682 -9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.860 7.442 -10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.913 4.555 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.275 5.862 -11.922 1.00 0.00 H new ATOM 1261 N GLN A 80 4.753 7.586 -7.736 1.00 0.00 N ATOM 1262 CA GLN A 80 5.194 8.698 -6.898 1.00 0.00 C ATOM 1263 C GLN A 80 6.596 8.450 -6.350 1.00 0.00 C ATOM 1264 O GLN A 80 7.371 9.389 -6.159 1.00 0.00 O ATOM 1265 CB GLN A 80 4.212 8.922 -5.747 1.00 0.00 C ATOM 1266 CG GLN A 80 2.859 9.451 -6.195 1.00 0.00 C ATOM 1267 CD GLN A 80 2.954 10.814 -6.853 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.835 11.612 -6.532 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.044 11.089 -7.781 1.00 0.00 N ATOM 0 H GLN A 80 3.892 7.137 -7.424 1.00 0.00 H new ATOM 0 HA GLN A 80 5.223 9.594 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.067 7.981 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.651 9.624 -5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.410 8.745 -6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.194 9.513 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.331 10.399 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.058 11.991 -8.258 1.00 0.00 H new ATOM 1278 N LEU A 81 6.918 7.186 -6.099 1.00 0.00 N ATOM 1279 CA LEU A 81 8.231 6.821 -5.577 1.00 0.00 C ATOM 1280 C LEU A 81 9.284 6.844 -6.680 1.00 0.00 C ATOM 1281 O LEU A 81 10.441 7.189 -6.439 1.00 0.00 O ATOM 1282 CB LEU A 81 8.180 5.435 -4.929 1.00 0.00 C ATOM 1283 CG LEU A 81 7.373 5.352 -3.632 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.249 3.907 -3.175 1.00 0.00 C ATOM 1285 CD2 LEU A 81 8.019 6.201 -2.547 1.00 0.00 C ATOM 0 H LEU A 81 6.289 6.397 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 81 8.510 7.556 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.758 4.731 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.200 5.109 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 81 6.373 5.741 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.672 3.866 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.743 3.324 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.243 3.494 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.432 6.130 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.031 5.842 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.058 7.240 -2.873 1.00 0.00 H new ATOM 1297 N LEU A 82 8.878 6.472 -7.891 1.00 0.00 N ATOM 1298 CA LEU A 82 9.789 6.451 -9.031 1.00 0.00 C ATOM 1299 C LEU A 82 10.226 7.862 -9.405 1.00 0.00 C ATOM 1300 O LEU A 82 11.289 8.057 -9.997 1.00 0.00 O ATOM 1301 CB LEU A 82 9.127 5.776 -10.235 1.00 0.00 C ATOM 1302 CG LEU A 82 8.902 4.267 -10.097 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.106 3.738 -11.279 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.232 3.536 -9.981 1.00 0.00 C ATOM 0 H LEU A 82 7.925 6.181 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 82 10.671 5.879 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.165 6.255 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.743 5.956 -11.116 1.00 0.00 H new ATOM 0 HG LEU A 82 8.330 4.087 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.955 2.665 -11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.138 4.238 -11.319 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.653 3.932 -12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.052 2.465 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.829 3.724 -10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.769 3.895 -9.103 1.00 0.00 H new ATOM 1316 N GLN A 83 9.398 8.844 -9.059 1.00 0.00 N ATOM 1317 CA GLN A 83 9.697 10.242 -9.354 1.00 0.00 C ATOM 1318 C GLN A 83 11.052 10.648 -8.782 1.00 0.00 C ATOM 1319 O GLN A 83 11.676 11.598 -9.255 1.00 0.00 O ATOM 1320 CB GLN A 83 8.604 11.148 -8.788 1.00 0.00 C ATOM 1321 CG GLN A 83 7.248 10.958 -9.449 1.00 0.00 C ATOM 1322 CD GLN A 83 7.260 11.322 -10.921 1.00 0.00 C ATOM 1323 OE1 GLN A 83 8.025 12.183 -11.354 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.407 10.665 -11.698 1.00 0.00 N ATOM 0 H GLN A 83 8.513 8.697 -8.573 1.00 0.00 H new ATOM 0 HA GLN A 83 9.734 10.355 -10.438 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.506 10.960 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.911 12.188 -8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.936 9.919 -9.338 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.508 11.570 -8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.791 9.959 -11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.368 10.867 -12.697 1.00 0.00 H new ATOM 1333 N ARG A 84 11.501 9.922 -7.764 1.00 0.00 N ATOM 1334 CA ARG A 84 12.782 10.211 -7.126 1.00 0.00 C ATOM 1335 C ARG A 84 13.735 9.028 -7.251 1.00 0.00 C ATOM 1336 O ARG A 84 14.954 9.199 -7.253 1.00 0.00 O ATOM 1337 CB ARG A 84 12.571 10.557 -5.651 1.00 0.00 C ATOM 1338 CG ARG A 84 11.665 11.758 -5.435 1.00 0.00 C ATOM 1339 CD ARG A 84 11.466 12.048 -3.957 1.00 0.00 C ATOM 1340 NE ARG A 84 10.585 13.192 -3.738 1.00 0.00 N ATOM 1341 CZ ARG A 84 10.285 13.674 -2.535 1.00 0.00 C ATOM 1342 NH1 ARG A 84 10.793 13.115 -1.445 1.00 0.00 N ATOM 1343 NH2 ARG A 84 9.476 14.719 -2.423 1.00 0.00 N ATOM 0 H ARG A 84 10.999 9.130 -7.363 1.00 0.00 H new ATOM 0 HA ARG A 84 13.228 11.066 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.145 9.693 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.539 10.754 -5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.096 12.632 -5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.698 11.575 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.047 11.169 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.433 12.241 -3.492 1.00 0.00 H new ATOM 0 HE ARG A 84 10.176 13.647 -4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.417 12.312 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.560 13.488 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.084 15.153 -3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.246 15.089 -1.501 1.00 0.00 H new ATOM 1357 N ILE A 85 13.171 7.828 -7.353 1.00 0.00 N ATOM 1358 CA ILE A 85 13.970 6.615 -7.477 1.00 0.00 C ATOM 1359 C ILE A 85 13.523 5.787 -8.683 1.00 0.00 C ATOM 1360 O ILE A 85 12.675 4.904 -8.555 1.00 0.00 O ATOM 1361 CB ILE A 85 13.872 5.747 -6.206 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.048 6.613 -4.954 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.916 4.640 -6.243 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.711 5.894 -3.664 1.00 0.00 C ATOM 0 H ILE A 85 12.163 7.671 -7.352 1.00 0.00 H new ATOM 0 HA ILE A 85 15.005 6.927 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 85 12.884 5.289 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.080 6.962 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.416 7.497 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.836 4.034 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.749 4.011 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.912 5.080 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.859 6.570 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.671 5.569 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.360 5.026 -3.551 1.00 0.00 H new ATOM 1376 N PRO A 86 14.085 6.065 -9.877 1.00 0.00 N ATOM 1377 CA PRO A 86 13.728 5.340 -11.104 1.00 0.00 C ATOM 1378 C PRO A 86 14.213 3.896 -11.097 1.00 0.00 C ATOM 1379 O PRO A 86 13.895 3.119 -11.997 1.00 0.00 O ATOM 1380 CB PRO A 86 14.436 6.131 -12.205 1.00 0.00 C ATOM 1381 CG PRO A 86 15.578 6.799 -11.519 1.00 0.00 C ATOM 1382 CD PRO A 86 15.104 7.103 -10.125 1.00 0.00 C ATOM 0 HA PRO A 86 12.647 5.274 -11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.783 5.475 -13.003 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.767 6.861 -12.661 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.455 6.152 -11.500 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.867 7.712 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.918 7.048 -9.403 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.682 8.106 -10.054 1.00 0.00 H new ATOM 1390 N GLU A 87 14.981 3.546 -10.076 1.00 0.00 N ATOM 1391 CA GLU A 87 15.517 2.195 -9.946 1.00 0.00 C ATOM 1392 C GLU A 87 14.910 1.490 -8.738 1.00 0.00 C ATOM 1393 O GLU A 87 15.436 0.483 -8.263 1.00 0.00 O ATOM 1394 CB GLU A 87 17.041 2.241 -9.813 1.00 0.00 C ATOM 1395 CG GLU A 87 17.740 2.866 -11.010 1.00 0.00 C ATOM 1396 CD GLU A 87 17.541 2.066 -12.285 1.00 0.00 C ATOM 1397 OE1 GLU A 87 16.528 2.297 -12.978 1.00 0.00 O ATOM 1398 OE2 GLU A 87 18.400 1.213 -12.590 1.00 0.00 O ATOM 0 H GLU A 87 15.249 4.179 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 87 15.255 1.634 -10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.302 2.803 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.416 1.227 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.364 3.878 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.806 2.950 -10.801 1.00 0.00 H new ATOM 1405 N PHE A 88 13.798 2.027 -8.246 1.00 0.00 N ATOM 1406 CA PHE A 88 13.120 1.460 -7.087 1.00 0.00 C ATOM 1407 C PHE A 88 12.389 0.167 -7.436 1.00 0.00 C ATOM 1408 O PHE A 88 11.900 -0.007 -8.552 1.00 0.00 O ATOM 1409 CB PHE A 88 12.129 2.469 -6.504 1.00 0.00 C ATOM 1410 CG PHE A 88 11.416 1.965 -5.282 1.00 0.00 C ATOM 1411 CD1 PHE A 88 12.118 1.688 -4.119 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.046 1.761 -5.298 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.466 1.217 -2.996 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.389 1.289 -4.178 1.00 0.00 C ATOM 1415 CZ PHE A 88 10.099 1.018 -3.026 1.00 0.00 C ATOM 0 H PHE A 88 13.347 2.856 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 88 13.884 1.228 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.661 3.387 -6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.393 2.726 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.187 1.842 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.485 1.973 -6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.024 1.005 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.321 1.132 -4.204 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.587 0.651 -2.149 1.00 0.00 H new ATOM 1425 N ASN A 89 12.322 -0.736 -6.462 1.00 0.00 N ATOM 1426 CA ASN A 89 11.645 -2.014 -6.631 1.00 0.00 C ATOM 1427 C ASN A 89 10.457 -2.114 -5.679 1.00 0.00 C ATOM 1428 O ASN A 89 10.604 -2.525 -4.528 1.00 0.00 O ATOM 1429 CB ASN A 89 12.621 -3.166 -6.381 1.00 0.00 C ATOM 1430 CG ASN A 89 13.613 -2.849 -5.276 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.705 -2.344 -5.534 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.235 -3.143 -4.037 1.00 0.00 N ATOM 0 H ASN A 89 12.734 -0.602 -5.539 1.00 0.00 H new ATOM 0 HA ASN A 89 11.278 -2.081 -7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.061 -4.063 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.163 -3.387 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.860 -2.951 -3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.320 -3.561 -3.869 1.00 0.00 H new ATOM 1439 N MET A 90 9.282 -1.725 -6.165 1.00 0.00 N ATOM 1440 CA MET A 90 8.068 -1.752 -5.355 1.00 0.00 C ATOM 1441 C MET A 90 7.682 -3.179 -4.973 1.00 0.00 C ATOM 1442 O MET A 90 7.120 -3.412 -3.905 1.00 0.00 O ATOM 1443 CB MET A 90 6.917 -1.084 -6.111 1.00 0.00 C ATOM 1444 CG MET A 90 5.651 -0.930 -5.283 1.00 0.00 C ATOM 1445 SD MET A 90 5.886 0.138 -3.848 1.00 0.00 S ATOM 1446 CE MET A 90 4.241 0.122 -3.139 1.00 0.00 C ATOM 0 H MET A 90 9.145 -1.387 -7.117 1.00 0.00 H new ATOM 0 HA MET A 90 8.267 -1.200 -4.436 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.240 -0.100 -6.452 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.690 -1.671 -7.001 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.859 -0.521 -5.910 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.318 -1.913 -4.949 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.226 0.740 -2.241 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.529 0.517 -3.863 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.966 -0.901 -2.880 1.00 0.00 H new ATOM 1456 N ALA A 91 7.991 -4.131 -5.848 1.00 0.00 N ATOM 1457 CA ALA A 91 7.665 -5.531 -5.597 1.00 0.00 C ATOM 1458 C ALA A 91 8.562 -6.135 -4.519 1.00 0.00 C ATOM 1459 O ALA A 91 8.087 -6.845 -3.631 1.00 0.00 O ATOM 1460 CB ALA A 91 7.774 -6.335 -6.884 1.00 0.00 C ATOM 0 H ALA A 91 8.465 -3.960 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 91 6.638 -5.572 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.528 -7.378 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.080 -5.934 -7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.792 -6.270 -7.269 1.00 0.00 H new ATOM 1466 N ALA A 92 9.856 -5.847 -4.596 1.00 0.00 N ATOM 1467 CA ALA A 92 10.814 -6.375 -3.630 1.00 0.00 C ATOM 1468 C ALA A 92 10.678 -5.699 -2.270 1.00 0.00 C ATOM 1469 O ALA A 92 10.886 -6.329 -1.232 1.00 0.00 O ATOM 1470 CB ALA A 92 12.232 -6.225 -4.157 1.00 0.00 C ATOM 0 H ALA A 92 10.266 -5.252 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 92 10.595 -7.434 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.936 -6.623 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.332 -6.774 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.446 -5.170 -4.330 1.00 0.00 H new ATOM 1476 N PHE A 93 10.329 -4.416 -2.276 1.00 0.00 N ATOM 1477 CA PHE A 93 10.173 -3.667 -1.034 1.00 0.00 C ATOM 1478 C PHE A 93 8.965 -4.162 -0.245 1.00 0.00 C ATOM 1479 O PHE A 93 9.036 -4.333 0.971 1.00 0.00 O ATOM 1480 CB PHE A 93 10.034 -2.170 -1.322 1.00 0.00 C ATOM 1481 CG PHE A 93 9.963 -1.323 -0.080 1.00 0.00 C ATOM 1482 CD1 PHE A 93 11.071 -1.177 0.739 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.788 -0.675 0.268 1.00 0.00 C ATOM 1484 CE1 PHE A 93 11.010 -0.401 1.882 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.720 0.102 1.409 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.833 0.239 2.217 1.00 0.00 C ATOM 0 H PHE A 93 10.150 -3.876 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 93 11.067 -3.828 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.881 -1.844 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.136 -2.005 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.994 -1.675 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.915 -0.779 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.881 -0.296 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.798 0.601 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.782 0.846 3.109 1.00 0.00 H new ATOM 1496 N THR A 94 7.857 -4.392 -0.945 1.00 0.00 N ATOM 1497 CA THR A 94 6.634 -4.866 -0.306 1.00 0.00 C ATOM 1498 C THR A 94 6.825 -6.248 0.312 1.00 0.00 C ATOM 1499 O THR A 94 6.443 -6.481 1.459 1.00 0.00 O ATOM 1500 CB THR A 94 5.463 -4.922 -1.303 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.848 -5.651 -2.474 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.018 -3.521 -1.694 1.00 0.00 C ATOM 0 H THR A 94 7.782 -4.258 -1.953 1.00 0.00 H new ATOM 0 HA THR A 94 6.399 -4.151 0.483 1.00 0.00 H new ATOM 0 HB THR A 94 4.628 -5.430 -0.820 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.319 -5.053 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.189 -3.586 -2.399 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.696 -2.980 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.850 -2.992 -2.159 1.00 0.00 H new ATOM 1510 N THR A 95 7.417 -7.160 -0.453 1.00 0.00 N ATOM 1511 CA THR A 95 7.656 -8.519 0.021 1.00 0.00 C ATOM 1512 C THR A 95 8.498 -8.515 1.295 1.00 0.00 C ATOM 1513 O THR A 95 8.249 -9.289 2.219 1.00 0.00 O ATOM 1514 CB THR A 95 8.367 -9.372 -1.047 1.00 0.00 C ATOM 1515 OG1 THR A 95 7.650 -9.301 -2.286 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.473 -10.822 -0.601 1.00 0.00 C ATOM 0 H THR A 95 7.740 -6.983 -1.404 1.00 0.00 H new ATOM 0 HA THR A 95 6.680 -8.956 0.232 1.00 0.00 H new ATOM 0 HB THR A 95 9.373 -8.977 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.839 -8.445 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.979 -11.404 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.042 -10.877 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.474 -11.226 -0.438 1.00 0.00 H new ATOM 1524 N THR A 96 9.494 -7.636 1.331 1.00 0.00 N ATOM 1525 CA THR A 96 10.375 -7.518 2.487 1.00 0.00 C ATOM 1526 C THR A 96 9.680 -6.779 3.627 1.00 0.00 C ATOM 1527 O THR A 96 9.967 -7.016 4.801 1.00 0.00 O ATOM 1528 CB THR A 96 11.675 -6.776 2.119 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.329 -7.444 1.033 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.618 -6.699 3.311 1.00 0.00 C ATOM 0 H THR A 96 9.712 -6.993 0.570 1.00 0.00 H new ATOM 0 HA THR A 96 10.622 -8.529 2.812 1.00 0.00 H new ATOM 0 HB THR A 96 11.412 -5.761 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.931 -7.156 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.527 -6.171 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.131 -6.165 4.126 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.873 -7.707 3.639 1.00 0.00 H new ATOM 1538 N LEU A 97 8.762 -5.886 3.269 1.00 0.00 N ATOM 1539 CA LEU A 97 8.025 -5.103 4.256 1.00 0.00 C ATOM 1540 C LEU A 97 7.163 -6.005 5.135 1.00 0.00 C ATOM 1541 O LEU A 97 7.035 -5.772 6.338 1.00 0.00 O ATOM 1542 CB LEU A 97 7.149 -4.061 3.552 1.00 0.00 C ATOM 1543 CG LEU A 97 7.102 -2.684 4.219 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.323 -1.704 3.354 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.483 -2.778 5.605 1.00 0.00 C ATOM 0 H LEU A 97 8.510 -5.686 2.301 1.00 0.00 H new ATOM 0 HA LEU A 97 8.746 -4.592 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.509 -3.939 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.133 -4.450 3.487 1.00 0.00 H new ATOM 0 HG LEU A 97 8.124 -2.319 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.298 -0.729 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.808 -1.612 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.305 -2.068 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.459 -1.788 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.467 -3.165 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.078 -3.449 6.225 1.00 0.00 H new ATOM 1557 N GLN A 98 6.572 -7.032 4.528 1.00 0.00 N ATOM 1558 CA GLN A 98 5.724 -7.969 5.261 1.00 0.00 C ATOM 1559 C GLN A 98 6.476 -8.555 6.449 1.00 0.00 C ATOM 1560 O GLN A 98 5.911 -8.739 7.527 1.00 0.00 O ATOM 1561 CB GLN A 98 5.247 -9.094 4.338 1.00 0.00 C ATOM 1562 CG GLN A 98 4.460 -8.603 3.135 1.00 0.00 C ATOM 1563 CD GLN A 98 4.022 -9.735 2.226 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.690 -10.766 2.132 1.00 0.00 O ATOM 1565 NE2 GLN A 98 2.894 -9.548 1.551 1.00 0.00 N ATOM 0 H GLN A 98 6.664 -7.236 3.533 1.00 0.00 H new ATOM 0 HA GLN A 98 4.855 -7.424 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.112 -9.658 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.627 -9.783 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.582 -8.056 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.071 -7.901 2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.373 -8.678 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.549 -10.274 0.924 1.00 0.00 H new ATOM 1574 N HIS A 99 7.755 -8.844 6.241 1.00 0.00 N ATOM 1575 CA HIS A 99 8.596 -9.399 7.292 1.00 0.00 C ATOM 1576 C HIS A 99 9.020 -8.305 8.267 1.00 0.00 C ATOM 1577 O HIS A 99 9.001 -8.497 9.484 1.00 0.00 O ATOM 1578 CB HIS A 99 9.827 -10.072 6.675 1.00 0.00 C ATOM 1579 CG HIS A 99 10.955 -10.277 7.640 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.797 -10.874 8.873 1.00 0.00 N ATOM 1581 CD2 HIS A 99 12.265 -9.950 7.546 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.961 -10.904 9.498 1.00 0.00 C ATOM 1583 NE2 HIS A 99 12.867 -10.351 8.713 1.00 0.00 N ATOM 0 H HIS A 99 8.233 -8.702 5.351 1.00 0.00 H new ATOM 0 HA HIS A 99 8.025 -10.147 7.842 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.533 -11.038 6.264 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.181 -9.466 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.746 -9.465 6.710 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.140 -11.311 10.482 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.856 -10.240 8.937 1.00 0.00 H new ATOM 1592 N HIS A 100 9.385 -7.149 7.721 1.00 0.00 N ATOM 1593 CA HIS A 100 9.815 -6.022 8.539 1.00 0.00 C ATOM 1594 C HIS A 100 8.644 -5.435 9.315 1.00 0.00 C ATOM 1595 O HIS A 100 8.815 -4.509 10.108 1.00 0.00 O ATOM 1596 CB HIS A 100 10.468 -4.947 7.670 1.00 0.00 C ATOM 1597 CG HIS A 100 11.896 -5.247 7.331 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.931 -4.377 7.600 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.459 -6.329 6.744 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.069 -4.913 7.194 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.810 -6.096 6.671 1.00 0.00 N ATOM 0 H HIS A 100 9.391 -6.969 6.717 1.00 0.00 H new ATOM 0 HA HIS A 100 10.551 -6.387 9.255 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.898 -4.839 6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.418 -3.990 8.189 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.834 -3.463 8.043 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.942 -7.211 6.398 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.046 -4.459 7.276 1.00 0.00 H new ATOM 1610 N LYS A 101 7.454 -5.976 9.079 1.00 0.00 N ATOM 1611 CA LYS A 101 6.256 -5.515 9.768 1.00 0.00 C ATOM 1612 C LYS A 101 6.401 -5.726 11.271 1.00 0.00 C ATOM 1613 O LYS A 101 5.723 -5.078 12.069 1.00 0.00 O ATOM 1614 CB LYS A 101 5.024 -6.256 9.245 1.00 0.00 C ATOM 1615 CG LYS A 101 3.713 -5.753 9.826 1.00 0.00 C ATOM 1616 CD LYS A 101 2.534 -6.589 9.352 1.00 0.00 C ATOM 1617 CE LYS A 101 2.561 -7.984 9.958 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.446 -8.831 9.451 1.00 0.00 N ATOM 0 H LYS A 101 7.294 -6.734 8.416 1.00 0.00 H new ATOM 0 HA LYS A 101 6.129 -4.450 9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.989 -6.163 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.127 -7.317 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.763 -5.778 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.562 -4.713 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.602 -6.092 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.553 -6.663 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.513 -8.462 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.496 -7.910 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.500 -9.773 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.536 -8.389 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.522 -8.923 8.418 1.00 0.00 H new ATOM 1632 N ASP A 102 7.294 -6.638 11.649 1.00 0.00 N ATOM 1633 CA ASP A 102 7.538 -6.931 13.057 1.00 0.00 C ATOM 1634 C ASP A 102 8.252 -5.764 13.734 1.00 0.00 C ATOM 1635 O ASP A 102 8.178 -5.601 14.951 1.00 0.00 O ATOM 1636 CB ASP A 102 8.373 -8.207 13.198 1.00 0.00 C ATOM 1637 CG ASP A 102 8.697 -8.528 14.645 1.00 0.00 C ATOM 1638 OD1 ASP A 102 7.845 -9.140 15.323 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.803 -8.167 15.099 1.00 0.00 O ATOM 0 H ASP A 102 7.859 -7.185 11.000 1.00 0.00 H new ATOM 0 HA ASP A 102 6.576 -7.081 13.546 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.832 -9.043 12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.301 -8.095 12.637 1.00 0.00 H new ATOM 1644 N GLU A 103 8.940 -4.956 12.932 1.00 0.00 N ATOM 1645 CA GLU A 103 9.669 -3.802 13.449 1.00 0.00 C ATOM 1646 C GLU A 103 8.944 -2.502 13.106 1.00 0.00 C ATOM 1647 O GLU A 103 8.510 -1.770 13.997 1.00 0.00 O ATOM 1648 CB GLU A 103 11.093 -3.780 12.883 1.00 0.00 C ATOM 1649 CG GLU A 103 12.046 -2.874 13.648 1.00 0.00 C ATOM 1650 CD GLU A 103 11.739 -1.401 13.460 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.162 -0.834 12.431 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.074 -0.816 14.341 1.00 0.00 O ATOM 0 H GLU A 103 9.008 -5.079 11.922 1.00 0.00 H new ATOM 0 HA GLU A 103 9.720 -3.888 14.534 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.491 -4.795 12.886 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.055 -3.456 11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.997 -3.117 14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.067 -3.072 13.322 1.00 0.00 H new ATOM 1659 N VAL A 104 8.816 -2.221 11.811 1.00 0.00 N ATOM 1660 CA VAL A 104 8.143 -1.010 11.351 1.00 0.00 C ATOM 1661 C VAL A 104 6.714 -0.945 11.882 1.00 0.00 C ATOM 1662 O VAL A 104 6.160 -1.953 12.321 1.00 0.00 O ATOM 1663 CB VAL A 104 8.119 -0.935 9.809 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.087 -1.895 9.235 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.852 0.488 9.342 1.00 0.00 C ATOM 0 H VAL A 104 9.170 -2.816 11.062 1.00 0.00 H new ATOM 0 HA VAL A 104 8.708 -0.161 11.737 1.00 0.00 H new ATOM 0 HB VAL A 104 9.100 -1.235 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.089 -1.824 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.333 -2.914 9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.098 -1.635 9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.840 0.517 8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.888 0.822 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.637 1.146 9.714 1.00 0.00 H new ATOM 1675 N ALA A 105 6.123 0.246 11.843 1.00 0.00 N ATOM 1676 CA ALA A 105 4.759 0.431 12.320 1.00 0.00 C ATOM 1677 C ALA A 105 3.785 -0.462 11.557 1.00 0.00 C ATOM 1678 O ALA A 105 3.474 -0.210 10.390 1.00 0.00 O ATOM 1679 CB ALA A 105 4.351 1.892 12.195 1.00 0.00 C ATOM 0 H ALA A 105 6.566 1.093 11.487 1.00 0.00 H new ATOM 0 HA ALA A 105 4.724 0.145 13.371 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.330 2.017 12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.023 2.510 12.790 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.407 2.197 11.150 1.00 0.00 H new ATOM 1685 N GLY A 106 3.307 -1.505 12.227 1.00 0.00 N ATOM 1686 CA GLY A 106 2.373 -2.423 11.606 1.00 0.00 C ATOM 1687 C GLY A 106 1.053 -1.759 11.275 1.00 0.00 C ATOM 1688 O GLY A 106 0.380 -2.140 10.318 1.00 0.00 O ATOM 0 H GLY A 106 3.551 -1.731 13.191 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.814 -2.826 10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.196 -3.266 12.274 1.00 0.00 H new ATOM 1692 N ASP A 107 0.682 -0.766 12.077 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.565 -0.039 11.875 1.00 0.00 C ATOM 1694 C ASP A 107 -0.574 0.677 10.526 1.00 0.00 C ATOM 1695 O ASP A 107 -1.601 0.731 9.851 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.777 0.971 13.002 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.050 1.776 12.828 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -3.128 1.269 13.203 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.969 2.912 12.316 1.00 0.00 O ATOM 0 H ASP A 107 1.230 -0.446 12.876 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.380 -0.762 11.883 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.811 0.444 13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.075 1.649 13.043 1.00 0.00 H new ATOM 1704 N ILE A 108 0.575 1.226 10.138 1.00 0.00 N ATOM 1705 CA ILE A 108 0.685 1.936 8.868 1.00 0.00 C ATOM 1706 C ILE A 108 0.644 0.967 7.694 1.00 0.00 C ATOM 1707 O ILE A 108 -0.111 1.164 6.740 1.00 0.00 O ATOM 1708 CB ILE A 108 1.982 2.766 8.788 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.079 3.726 9.978 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.036 3.536 7.474 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.372 4.514 10.020 1.00 0.00 C ATOM 0 H ILE A 108 1.437 1.193 10.682 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.169 2.611 8.813 1.00 0.00 H new ATOM 0 HB ILE A 108 2.833 2.086 8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.241 4.422 9.942 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.981 3.156 10.902 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.957 4.118 7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.010 2.835 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.180 4.207 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.369 5.172 10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.215 3.826 10.088 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.464 5.111 9.113 1.00 0.00 H new ATOM 1723 N PHE A 109 1.459 -0.082 7.766 1.00 0.00 N ATOM 1724 CA PHE A 109 1.505 -1.079 6.703 1.00 0.00 C ATOM 1725 C PHE A 109 0.168 -1.802 6.582 1.00 0.00 C ATOM 1726 O PHE A 109 -0.204 -2.258 5.501 1.00 0.00 O ATOM 1727 CB PHE A 109 2.632 -2.089 6.948 1.00 0.00 C ATOM 1728 CG PHE A 109 2.812 -3.073 5.823 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.746 -2.658 4.500 1.00 0.00 C ATOM 1730 CD2 PHE A 109 3.044 -4.413 6.088 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.907 -3.558 3.464 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.209 -5.319 5.057 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.140 -4.892 3.744 1.00 0.00 C ATOM 0 H PHE A 109 2.093 -0.262 8.545 1.00 0.00 H new ATOM 0 HA PHE A 109 1.706 -0.559 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.566 -1.549 7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.426 -2.635 7.868 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.566 -1.617 4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.097 -4.754 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.851 -3.221 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.392 -6.360 5.277 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.268 -5.599 2.938 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.548 -1.904 7.700 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.845 -2.575 7.727 1.00 0.00 C ATOM 1745 C ASP A 110 -2.745 -2.068 6.605 1.00 0.00 C ATOM 1746 O ASP A 110 -3.553 -2.820 6.060 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.525 -2.359 9.080 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.843 -3.103 9.191 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.869 -2.563 8.731 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.846 -4.225 9.740 1.00 0.00 O ATOM 0 H ASP A 110 -0.251 -1.529 8.601 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.677 -3.642 7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.857 -2.688 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.699 -1.293 9.230 1.00 0.00 H new ATOM 1755 N MET A 111 -2.605 -0.791 6.267 1.00 0.00 N ATOM 1756 CA MET A 111 -3.394 -0.194 5.198 1.00 0.00 C ATOM 1757 C MET A 111 -2.905 -0.699 3.844 1.00 0.00 C ATOM 1758 O MET A 111 -3.698 -1.080 2.983 1.00 0.00 O ATOM 1759 CB MET A 111 -3.305 1.335 5.266 1.00 0.00 C ATOM 1760 CG MET A 111 -4.078 2.051 4.168 1.00 0.00 C ATOM 1761 SD MET A 111 -3.142 2.194 2.632 1.00 0.00 S ATOM 1762 CE MET A 111 -1.787 3.245 3.154 1.00 0.00 C ATOM 0 H MET A 111 -1.952 -0.150 6.718 1.00 0.00 H new ATOM 0 HA MET A 111 -4.437 -0.485 5.322 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.678 1.667 6.235 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.257 1.630 5.210 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.006 1.513 3.974 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.353 3.047 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.319 3.697 2.279 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.166 4.030 3.809 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.050 2.648 3.692 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.587 -0.707 3.675 1.00 0.00 N ATOM 1773 CA LEU A 112 -0.967 -1.165 2.437 1.00 0.00 C ATOM 1774 C LEU A 112 -1.225 -2.653 2.213 1.00 0.00 C ATOM 1775 O LEU A 112 -1.178 -3.133 1.083 1.00 0.00 O ATOM 1776 CB LEU A 112 0.539 -0.893 2.467 1.00 0.00 C ATOM 1777 CG LEU A 112 0.934 0.584 2.551 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.427 0.722 2.810 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.549 1.314 1.272 1.00 0.00 C ATOM 0 H LEU A 112 -0.923 -0.399 4.386 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.413 -0.612 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.969 -1.417 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.987 -1.322 1.571 1.00 0.00 H new ATOM 0 HG LEU A 112 0.394 1.037 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.690 1.778 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.680 0.234 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.982 0.253 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.838 2.362 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.062 0.859 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.529 1.244 1.124 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.502 -3.376 3.298 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.760 -4.813 3.220 1.00 0.00 C ATOM 1793 C LEU A 113 -2.805 -5.132 2.155 1.00 0.00 C ATOM 1794 O LEU A 113 -2.810 -6.226 1.591 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.219 -5.359 4.577 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.111 -5.557 5.617 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.693 -6.081 6.920 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.045 -6.509 5.092 1.00 0.00 C ATOM 0 H LEU A 113 -1.553 -2.990 4.241 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.824 -5.297 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.964 -4.678 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.716 -6.315 4.415 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.645 -4.591 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.893 -6.216 7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.419 -5.366 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.185 -7.037 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.732 -6.636 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.497 -7.476 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.394 -6.098 4.183 1.00 0.00 H new ATOM 1810 N THR A 114 -3.692 -4.175 1.890 1.00 0.00 N ATOM 1811 CA THR A 114 -4.741 -4.355 0.889 1.00 0.00 C ATOM 1812 C THR A 114 -4.168 -4.674 -0.495 1.00 0.00 C ATOM 1813 O THR A 114 -4.918 -4.858 -1.452 1.00 0.00 O ATOM 1814 CB THR A 114 -5.632 -3.104 0.775 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.847 -1.981 0.357 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.303 -2.790 2.103 1.00 0.00 C ATOM 0 H THR A 114 -3.705 -3.267 2.355 1.00 0.00 H new ATOM 0 HA THR A 114 -5.338 -5.201 1.229 1.00 0.00 H new ATOM 0 HB THR A 114 -6.406 -3.305 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.420 -1.572 1.138 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.926 -1.902 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.923 -3.634 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.542 -2.608 2.861 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.840 -4.736 -0.598 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.189 -5.039 -1.870 1.00 0.00 C ATOM 1826 C PHE A 115 -2.535 -6.450 -2.334 1.00 0.00 C ATOM 1827 O PHE A 115 -2.659 -6.705 -3.533 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.666 -4.899 -1.750 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.166 -3.479 -1.813 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.708 -2.575 -2.716 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.852 -3.051 -0.972 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.246 -1.274 -2.776 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.317 -1.752 -1.032 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.768 -0.862 -1.933 1.00 0.00 C ATOM 0 H PHE A 115 -2.199 -4.581 0.180 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.555 -4.323 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.345 -5.343 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.196 -5.473 -2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.499 -2.892 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.285 -3.741 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.677 -0.580 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.111 -1.432 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.130 0.154 -1.979 1.00 0.00 H new ATOM 1844 N THR A 116 -2.693 -7.363 -1.380 1.00 0.00 N ATOM 1845 CA THR A 116 -3.019 -8.750 -1.698 1.00 0.00 C ATOM 1846 C THR A 116 -3.936 -9.368 -0.647 1.00 0.00 C ATOM 1847 O THR A 116 -4.780 -10.206 -0.966 1.00 0.00 O ATOM 1848 CB THR A 116 -1.746 -9.610 -1.813 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.971 -9.501 -0.612 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.904 -9.182 -3.006 1.00 0.00 C ATOM 0 H THR A 116 -2.601 -7.168 -0.383 1.00 0.00 H new ATOM 0 HA THR A 116 -3.536 -8.735 -2.657 1.00 0.00 H new ATOM 0 HB THR A 116 -2.049 -10.647 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.164 -10.052 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.012 -9.805 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.485 -9.295 -3.921 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.611 -8.139 -2.889 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.766 -8.953 0.605 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.577 -9.474 1.701 1.00 0.00 C ATOM 1860 C ASP A 117 -6.050 -9.122 1.507 1.00 0.00 C ATOM 1861 O ASP A 117 -6.519 -8.085 1.978 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.081 -8.924 3.039 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.577 -9.735 4.220 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -5.709 -9.480 4.682 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.834 -10.626 4.682 1.00 0.00 O ATOM 0 H ASP A 117 -3.074 -8.258 0.886 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.480 -10.560 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.991 -8.913 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.410 -7.891 3.148 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.773 -9.995 0.810 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.192 -9.781 0.544 1.00 0.00 C ATOM 1872 C PHE A 118 -8.985 -9.666 1.842 1.00 0.00 C ATOM 1873 O PHE A 118 -10.005 -8.978 1.896 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.748 -10.925 -0.307 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.117 -10.653 -0.861 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -11.251 -11.006 -0.147 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -10.270 -10.045 -2.096 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.512 -10.758 -0.656 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -11.527 -9.795 -2.610 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.650 -10.152 -1.889 1.00 0.00 C ATOM 0 H PHE A 118 -6.398 -10.859 0.419 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.294 -8.843 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.063 -11.118 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.783 -11.832 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -11.148 -11.480 0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -9.396 -9.763 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -13.388 -11.038 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.632 -9.321 -3.575 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.634 -9.957 -2.289 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.513 -10.343 2.884 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.183 -10.312 4.179 1.00 0.00 C ATOM 1892 C LEU A 119 -9.231 -8.892 4.730 1.00 0.00 C ATOM 1893 O LEU A 119 -10.238 -8.469 5.296 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.474 -11.235 5.177 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.727 -12.735 4.986 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.211 -13.050 5.107 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.187 -13.207 3.644 1.00 0.00 C ATOM 0 H LEU A 119 -7.671 -10.918 2.857 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.204 -10.666 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.401 -11.055 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.784 -10.958 6.185 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.198 -13.271 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.368 -14.120 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.566 -12.756 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.763 -12.500 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.378 -14.274 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.682 -12.662 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.114 -13.023 3.599 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.137 -8.159 4.556 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.056 -6.786 5.036 1.00 0.00 C ATOM 1911 C ALA A 120 -8.838 -5.847 4.125 1.00 0.00 C ATOM 1912 O ALA A 120 -9.356 -4.825 4.569 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.603 -6.345 5.131 1.00 0.00 C ATOM 0 H ALA A 120 -7.295 -8.493 4.087 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.500 -6.744 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.558 -5.317 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.070 -6.996 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.139 -6.405 4.146 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.920 -6.211 2.851 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.632 -5.408 1.863 1.00 0.00 C ATOM 1921 C PHE A 121 -11.125 -5.346 2.182 1.00 0.00 C ATOM 1922 O PHE A 121 -11.701 -4.264 2.315 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.414 -6.008 0.468 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.604 -5.035 -0.663 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.969 -3.803 -0.654 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.408 -5.362 -1.745 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.132 -2.916 -1.701 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.576 -4.477 -2.793 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.937 -3.253 -2.771 1.00 0.00 C ATOM 0 H PHE A 121 -8.500 -7.061 2.476 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.240 -4.391 1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.405 -6.416 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.102 -6.842 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.339 -3.533 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.908 -6.319 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.630 -1.960 -1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.207 -4.742 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.067 -2.560 -3.589 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.738 -6.517 2.322 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.164 -6.611 2.619 1.00 0.00 C ATOM 1941 C LYS A 122 -13.482 -6.021 3.991 1.00 0.00 C ATOM 1942 O LYS A 122 -14.441 -5.264 4.141 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.615 -8.074 2.550 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.126 -8.261 2.556 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.686 -8.269 3.970 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.152 -8.670 3.983 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.360 -10.034 3.426 1.00 0.00 N ATOM 0 H LYS A 122 -11.268 -7.418 2.234 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.709 -6.033 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.208 -8.526 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.190 -8.614 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.594 -7.460 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.379 -9.198 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.112 -8.961 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.574 -7.279 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.529 -8.634 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.730 -7.950 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.276 -10.405 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.352 -9.990 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.598 -10.662 3.752 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.675 -6.372 4.988 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.879 -5.880 6.345 1.00 0.00 C ATOM 1963 C GLU A 123 -12.711 -4.365 6.420 1.00 0.00 C ATOM 1964 O GLU A 123 -13.352 -3.702 7.236 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.902 -6.563 7.301 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.195 -8.037 7.523 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.579 -8.276 8.094 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -13.730 -8.214 9.332 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.512 -8.527 7.302 1.00 0.00 O ATOM 0 H GLU A 123 -11.874 -6.995 4.881 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.901 -6.119 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -10.890 -6.458 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.927 -6.048 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.099 -8.569 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.449 -8.454 8.200 1.00 0.00 H new ATOM 1976 N MET A 124 -11.848 -3.822 5.567 1.00 0.00 N ATOM 1977 CA MET A 124 -11.598 -2.384 5.547 1.00 0.00 C ATOM 1978 C MET A 124 -12.846 -1.621 5.120 1.00 0.00 C ATOM 1979 O MET A 124 -13.223 -0.629 5.745 1.00 0.00 O ATOM 1980 CB MET A 124 -10.438 -2.052 4.607 1.00 0.00 C ATOM 1981 CG MET A 124 -10.078 -0.575 4.582 1.00 0.00 C ATOM 1982 SD MET A 124 -8.690 -0.213 3.487 1.00 0.00 S ATOM 1983 CE MET A 124 -9.395 -0.631 1.895 1.00 0.00 C ATOM 0 H MET A 124 -11.311 -4.354 4.882 1.00 0.00 H new ATOM 0 HA MET A 124 -11.332 -2.077 6.558 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.562 -2.626 4.908 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.697 -2.371 3.597 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.947 0.001 4.263 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.833 -0.248 5.593 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.802 -0.174 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.394 -1.714 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.419 -0.260 1.842 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.484 -2.086 4.049 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.692 -1.440 3.543 1.00 0.00 C ATOM 1995 C PHE A 125 -15.806 -1.461 4.581 1.00 0.00 C ATOM 1996 O PHE A 125 -16.432 -0.436 4.854 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.166 -2.123 2.260 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.198 -1.988 1.121 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.699 -0.745 0.762 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.784 -3.103 0.411 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.807 -0.618 -0.283 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.891 -2.980 -0.636 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.401 -1.736 -0.983 1.00 0.00 C ATOM 0 H PHE A 125 -13.187 -2.904 3.517 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.445 -0.401 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.334 -3.181 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.125 -1.699 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.012 0.134 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.163 -4.078 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.427 0.356 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.576 -3.856 -1.183 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.702 -1.638 -1.800 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.053 -2.634 5.155 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.096 -2.786 6.162 1.00 0.00 C ATOM 2015 C LEU A 126 -16.813 -1.917 7.384 1.00 0.00 C ATOM 2016 O LEU A 126 -17.736 -1.456 8.055 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.228 -4.253 6.576 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.193 -5.084 5.725 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.702 -5.185 4.288 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.370 -6.468 6.328 1.00 0.00 C ATOM 0 H LEU A 126 -15.545 -3.492 4.940 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.037 -2.457 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.242 -4.716 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.557 -4.293 7.614 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.160 -4.582 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.405 -5.780 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.628 -4.186 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.722 -5.661 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -19.058 -7.048 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.405 -6.974 6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.774 -6.377 7.336 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.534 -1.696 7.669 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.138 -0.873 8.807 1.00 0.00 C ATOM 2034 C ASP A 127 -15.570 0.575 8.596 1.00 0.00 C ATOM 2035 O ASP A 127 -16.147 1.200 9.487 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.624 -0.942 9.013 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.175 -0.188 10.250 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -12.982 1.043 10.157 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.017 -0.828 11.311 1.00 0.00 O ATOM 0 H ASP A 127 -14.755 -2.074 7.129 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.633 -1.260 9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.318 -1.985 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.122 -0.531 8.137 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.286 1.099 7.407 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.647 2.471 7.064 1.00 0.00 C ATOM 2046 C TYR A 128 -17.158 2.662 7.128 1.00 0.00 C ATOM 2047 O TYR A 128 -17.644 3.736 7.482 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.131 2.816 5.664 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.447 4.228 5.221 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.688 5.304 5.665 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.502 4.483 4.354 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.974 6.594 5.258 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.793 5.770 3.942 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.026 6.822 4.397 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.312 8.104 3.988 1.00 0.00 O ATOM 0 H TYR A 128 -14.806 0.593 6.663 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.184 3.141 7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.051 2.672 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.561 2.117 4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.862 5.130 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.105 3.662 3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.375 7.420 5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.617 5.951 3.267 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.082 8.090 3.382 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.896 1.611 6.783 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.352 1.660 6.804 1.00 0.00 C ATOM 2067 C ARG A 129 -19.868 1.801 8.233 1.00 0.00 C ATOM 2068 O ARG A 129 -20.768 2.596 8.502 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.939 0.401 6.158 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.458 0.403 6.088 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.997 -0.932 5.595 1.00 0.00 C ATOM 2072 NE ARG A 129 -21.660 -2.027 6.501 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.171 -3.251 6.401 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.043 -3.533 5.443 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -21.811 -4.194 7.262 1.00 0.00 N ATOM 0 H ARG A 129 -17.508 0.716 6.486 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.670 2.532 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.538 0.299 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.611 -0.473 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.868 0.620 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.791 1.199 5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -23.080 -0.869 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.592 -1.143 4.605 1.00 0.00 H new ATOM 0 HE ARG A 129 -20.995 -1.843 7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.324 -2.810 4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.433 -4.473 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.142 -3.981 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -22.204 -5.132 7.184 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.290 1.026 9.147 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.694 1.065 10.548 1.00 0.00 C ATOM 2091 C ALA A 130 -19.502 2.460 11.136 1.00 0.00 C ATOM 2092 O ALA A 130 -20.312 2.922 11.939 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.916 0.037 11.355 1.00 0.00 C ATOM 0 H ALA A 130 -18.541 0.364 8.942 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.755 0.820 10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.230 0.080 12.398 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.110 -0.960 10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.850 0.253 11.288 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.422 3.124 10.731 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.127 4.469 11.215 1.00 0.00 C ATOM 2101 C GLU A 131 -19.242 5.442 10.841 1.00 0.00 C ATOM 2102 O GLU A 131 -19.547 6.369 11.592 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.796 4.961 10.642 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.592 4.162 11.118 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.409 4.223 12.621 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.982 3.363 13.324 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -14.693 5.128 13.097 1.00 0.00 O ATOM 0 H GLU A 131 -17.739 2.753 10.071 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.055 4.426 12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.841 4.919 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.658 6.007 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.707 3.122 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -14.694 4.541 10.631 1.00 0.00 H new ATOM 2114 N LYS A 132 -19.851 5.222 9.678 1.00 0.00 N ATOM 2115 CA LYS A 132 -20.929 6.085 9.203 1.00 0.00 C ATOM 2116 C LYS A 132 -22.121 6.057 10.156 1.00 0.00 C ATOM 2117 O LYS A 132 -22.903 7.005 10.211 1.00 0.00 O ATOM 2118 CB LYS A 132 -21.374 5.662 7.801 1.00 0.00 C ATOM 2119 CG LYS A 132 -20.369 6.005 6.711 1.00 0.00 C ATOM 2120 CD LYS A 132 -20.308 7.504 6.461 1.00 0.00 C ATOM 2121 CE LYS A 132 -19.345 7.844 5.335 1.00 0.00 C ATOM 2122 NZ LYS A 132 -19.330 9.302 5.036 1.00 0.00 N ATOM 0 H LYS A 132 -19.617 4.455 9.048 1.00 0.00 H new ATOM 0 HA LYS A 132 -20.545 7.104 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -21.551 4.586 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -22.325 6.143 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -19.382 5.642 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -20.642 5.492 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -21.303 7.873 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -19.997 8.013 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -18.341 7.519 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -19.627 7.293 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.661 9.491 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -20.283 9.608 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -19.036 9.827 5.884 1.00 0.00 H new ATOM 2136 N GLU A 133 -22.257 4.964 10.903 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.357 4.823 11.851 1.00 0.00 C ATOM 2138 C GLU A 133 -23.048 5.551 13.155 1.00 0.00 C ATOM 2139 O GLU A 133 -23.952 6.019 13.845 1.00 0.00 O ATOM 2140 CB GLU A 133 -23.635 3.345 12.131 1.00 0.00 C ATOM 2141 CG GLU A 133 -24.061 2.560 10.900 1.00 0.00 C ATOM 2142 CD GLU A 133 -25.327 3.106 10.269 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -26.426 2.785 10.767 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -25.218 3.855 9.274 1.00 0.00 O ATOM 0 H GLU A 133 -21.622 4.167 10.870 1.00 0.00 H new ATOM 0 HA GLU A 133 -24.245 5.272 11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -22.738 2.889 12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -24.415 3.268 12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -23.256 2.579 10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -24.217 1.517 11.175 1.00 0.00 H new ATOM 2151 N GLY A 134 -21.763 5.639 13.486 1.00 0.00 N ATOM 2152 CA GLY A 134 -21.356 6.312 14.707 1.00 0.00 C ATOM 2153 C GLY A 134 -21.142 5.349 15.858 1.00 0.00 C ATOM 2154 O GLY A 134 -20.313 5.595 16.735 1.00 0.00 O ATOM 0 H GLY A 134 -20.997 5.257 12.931 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -20.434 6.864 14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -22.115 7.043 14.985 1.00 0.00 H new ATOM 2158 N ARG A 135 -21.892 4.252 15.857 1.00 0.00 N ATOM 2159 CA ARG A 135 -21.781 3.248 16.911 1.00 0.00 C ATOM 2160 C ARG A 135 -20.906 2.082 16.463 1.00 0.00 C ATOM 2161 O ARG A 135 -21.262 1.344 15.544 1.00 0.00 O ATOM 2162 CB ARG A 135 -23.172 2.742 17.300 1.00 0.00 C ATOM 2163 CG ARG A 135 -23.157 1.710 18.417 1.00 0.00 C ATOM 2164 CD ARG A 135 -24.568 1.299 18.809 1.00 0.00 C ATOM 2165 NE ARG A 135 -24.574 0.304 19.878 1.00 0.00 N ATOM 2166 CZ ARG A 135 -25.684 -0.214 20.394 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -26.871 0.167 19.942 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -25.609 -1.119 21.361 1.00 0.00 N ATOM 0 H ARG A 135 -22.583 4.035 15.139 1.00 0.00 H new ATOM 0 HA ARG A 135 -21.312 3.712 17.779 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -23.784 3.590 17.609 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -23.649 2.307 16.422 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -22.596 0.832 18.096 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -22.640 2.119 19.286 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -25.125 2.179 19.130 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -25.083 0.896 17.937 1.00 0.00 H new ATOM 0 HE ARG A 135 -23.677 -0.011 20.249 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -26.934 0.860 19.196 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -27.721 -0.233 20.340 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -24.698 -1.418 21.710 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -26.462 -1.515 21.756 1.00 0.00 H new ATOM 2182 N GLY A 136 -19.761 1.922 17.119 1.00 0.00 N ATOM 2183 CA GLY A 136 -18.852 0.844 16.775 1.00 0.00 C ATOM 2184 C GLY A 136 -17.687 0.736 17.740 1.00 0.00 C ATOM 2185 O GLY A 136 -16.651 1.390 17.495 1.00 0.00 O ATOM 2186 OXT GLY A 136 -17.809 -0.003 18.739 1.00 0.00 O ATOM 0 H GLY A 136 -19.446 2.520 17.883 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -19.399 -0.099 16.764 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -18.471 1.003 15.766 1.00 0.00 H new TER 2190 GLY A 136