USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=30 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 122 LYS NZ :NH3+ -116:sc= 0.443 (180deg=-0.0979) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -84:sc= 0.549 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.021 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -162:sc= -0.129 (180deg=-0.675) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 45 MET CE :methyl 156:sc= -0.299 (180deg=-1.02) USER MOD Single : A 47 LYS NZ :NH3+ -136:sc= -0.1 (180deg=-0.49) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.023 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.018) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0219 K(o=-0.022,f=-0.64) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.14) USER MOD Single : A 83 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 89 ASN : amide:sc= -2.75 K(o=-2.7,f=-0.92) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -83:sc= 0.607 USER MOD Single : A 95 THR OG1 : rot 78:sc= 0.32 USER MOD Single : A 96 THR OG1 : rot 86:sc= 1.04 USER MOD Single : A 98 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.54) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.84 K(o=-2.8,f=-4.2!) USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= 0.0633 (180deg=-1.29) USER MOD Single : A 111 MET CE :methyl -168:sc= -0.921 (180deg=-1.26) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 163:sc= -0.0913 (180deg=-0.547) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 154:sc= -1.92! (180deg=-3.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.093 17.328 0.412 1.00 0.00 N ATOM 2 CA MET A 1 40.751 16.318 1.447 1.00 0.00 C ATOM 3 C MET A 1 40.065 15.109 0.818 1.00 0.00 C ATOM 4 O MET A 1 39.273 15.249 -0.114 1.00 0.00 O ATOM 5 CB MET A 1 39.837 16.940 2.506 1.00 0.00 C ATOM 6 CG MET A 1 39.614 16.048 3.717 1.00 0.00 C ATOM 7 SD MET A 1 41.152 15.612 4.549 1.00 0.00 S ATOM 8 CE MET A 1 40.528 14.750 5.991 1.00 0.00 C ATOM 0 H1 MET A 1 40.860 18.278 0.764 1.00 0.00 H new ATOM 0 H2 MET A 1 42.110 17.277 0.200 1.00 0.00 H new ATOM 0 H3 MET A 1 40.549 17.136 -0.453 1.00 0.00 H new ATOM 0 HA MET A 1 41.675 15.986 1.919 1.00 0.00 H new ATOM 0 HB2 MET A 1 40.268 17.885 2.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 38.873 17.170 2.052 1.00 0.00 H new ATOM 0 HG2 MET A 1 38.955 16.556 4.422 1.00 0.00 H new ATOM 0 HG3 MET A 1 39.104 15.137 3.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 41.364 14.418 6.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 39.895 15.422 6.571 1.00 0.00 H new ATOM 0 HE3 MET A 1 39.945 13.885 5.674 1.00 0.00 H new ATOM 18 N ASP A 2 40.375 13.924 1.333 1.00 0.00 N ATOM 19 CA ASP A 2 39.791 12.690 0.821 1.00 0.00 C ATOM 20 C ASP A 2 39.328 11.792 1.965 1.00 0.00 C ATOM 21 O ASP A 2 40.000 11.680 2.991 1.00 0.00 O ATOM 22 CB ASP A 2 40.803 11.945 -0.052 1.00 0.00 C ATOM 23 CG ASP A 2 40.257 10.635 -0.584 1.00 0.00 C ATOM 24 OD1 ASP A 2 39.642 10.647 -1.671 1.00 0.00 O ATOM 25 OD2 ASP A 2 40.445 9.598 0.085 1.00 0.00 O ATOM 0 H ASP A 2 41.028 13.792 2.105 1.00 0.00 H new ATOM 0 HA ASP A 2 38.924 12.952 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 2 41.094 12.580 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 2 41.705 11.750 0.528 1.00 0.00 H new ATOM 30 N ALA A 3 38.176 11.151 1.780 1.00 0.00 N ATOM 31 CA ALA A 3 37.625 10.264 2.796 1.00 0.00 C ATOM 32 C ALA A 3 36.800 9.146 2.166 1.00 0.00 C ATOM 33 O ALA A 3 35.940 9.396 1.321 1.00 0.00 O ATOM 34 CB ALA A 3 36.776 11.054 3.781 1.00 0.00 C ATOM 0 H ALA A 3 37.608 11.231 0.936 1.00 0.00 H new ATOM 0 HA ALA A 3 38.458 9.807 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 3 36.370 10.379 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 3 37.392 11.812 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 3 35.957 11.538 3.249 1.00 0.00 H new ATOM 40 N LEU A 4 37.070 7.913 2.584 1.00 0.00 N ATOM 41 CA LEU A 4 36.356 6.752 2.062 1.00 0.00 C ATOM 42 C LEU A 4 35.115 6.450 2.900 1.00 0.00 C ATOM 43 O LEU A 4 34.350 5.539 2.584 1.00 0.00 O ATOM 44 CB LEU A 4 37.277 5.525 2.037 1.00 0.00 C ATOM 45 CG LEU A 4 38.321 5.500 0.913 1.00 0.00 C ATOM 46 CD1 LEU A 4 37.647 5.527 -0.450 1.00 0.00 C ATOM 47 CD2 LEU A 4 39.297 6.661 1.052 1.00 0.00 C ATOM 0 H LEU A 4 37.779 7.692 3.283 1.00 0.00 H new ATOM 0 HA LEU A 4 36.039 6.983 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 4 37.797 5.465 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 4 36.659 4.631 1.954 1.00 0.00 H new ATOM 0 HG LEU A 4 38.884 4.571 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 4 38.406 5.509 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 4 36.999 4.656 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 4 37.052 6.435 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.027 6.621 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.751 7.603 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.812 6.591 2.010 1.00 0.00 H new ATOM 59 N GLU A 5 34.922 7.221 3.966 1.00 0.00 N ATOM 60 CA GLU A 5 33.774 7.033 4.850 1.00 0.00 C ATOM 61 C GLU A 5 32.788 8.191 4.721 1.00 0.00 C ATOM 62 O GLU A 5 33.185 9.335 4.502 1.00 0.00 O ATOM 63 CB GLU A 5 34.242 6.906 6.300 1.00 0.00 C ATOM 64 CG GLU A 5 35.054 8.097 6.785 1.00 0.00 C ATOM 65 CD GLU A 5 35.591 7.905 8.189 1.00 0.00 C ATOM 66 OE1 GLU A 5 34.879 8.261 9.152 1.00 0.00 O ATOM 67 OE2 GLU A 5 36.724 7.397 8.327 1.00 0.00 O ATOM 0 H GLU A 5 35.544 7.981 4.239 1.00 0.00 H new ATOM 0 HA GLU A 5 33.265 6.115 4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 5 33.371 6.784 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 5 34.843 6.002 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 5 35.886 8.267 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 5 34.432 8.991 6.757 1.00 0.00 H new ATOM 74 N GLY A 6 31.500 7.885 4.858 1.00 0.00 N ATOM 75 CA GLY A 6 30.479 8.913 4.757 1.00 0.00 C ATOM 76 C GLY A 6 29.188 8.405 4.142 1.00 0.00 C ATOM 77 O GLY A 6 28.120 8.525 4.742 1.00 0.00 O ATOM 0 H GLY A 6 31.146 6.945 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 6 30.271 9.310 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.861 9.739 4.157 1.00 0.00 H new ATOM 81 N GLU A 7 29.285 7.838 2.943 1.00 0.00 N ATOM 82 CA GLU A 7 28.112 7.319 2.246 1.00 0.00 C ATOM 83 C GLU A 7 28.075 5.795 2.285 1.00 0.00 C ATOM 84 O GLU A 7 29.071 5.134 1.987 1.00 0.00 O ATOM 85 CB GLU A 7 28.104 7.804 0.795 1.00 0.00 C ATOM 86 CG GLU A 7 28.169 9.316 0.660 1.00 0.00 C ATOM 87 CD GLU A 7 28.191 9.773 -0.785 1.00 0.00 C ATOM 88 OE1 GLU A 7 29.295 9.845 -1.367 1.00 0.00 O ATOM 89 OE2 GLU A 7 27.107 10.060 -1.335 1.00 0.00 O ATOM 0 H GLU A 7 30.162 7.726 2.434 1.00 0.00 H new ATOM 0 HA GLU A 7 27.225 7.694 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.951 7.364 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.200 7.442 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.310 9.759 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.061 9.684 1.167 1.00 0.00 H new ATOM 96 N SER A 8 26.918 5.247 2.653 1.00 0.00 N ATOM 97 CA SER A 8 26.737 3.799 2.734 1.00 0.00 C ATOM 98 C SER A 8 27.721 3.178 3.720 1.00 0.00 C ATOM 99 O SER A 8 28.885 2.947 3.391 1.00 0.00 O ATOM 100 CB SER A 8 26.903 3.161 1.352 1.00 0.00 C ATOM 101 OG SER A 8 26.720 1.757 1.412 1.00 0.00 O ATOM 0 H SER A 8 26.089 5.787 2.901 1.00 0.00 H new ATOM 0 HA SER A 8 25.726 3.607 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 8 26.183 3.595 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 8 27.896 3.385 0.962 1.00 0.00 H new ATOM 0 HG SER A 8 26.830 1.374 0.517 1.00 0.00 H new ATOM 107 N PHE A 9 27.246 2.913 4.932 1.00 0.00 N ATOM 108 CA PHE A 9 28.080 2.319 5.971 1.00 0.00 C ATOM 109 C PHE A 9 28.248 0.822 5.741 1.00 0.00 C ATOM 110 O PHE A 9 29.369 0.312 5.702 1.00 0.00 O ATOM 111 CB PHE A 9 27.473 2.571 7.352 1.00 0.00 C ATOM 112 CG PHE A 9 27.355 4.027 7.702 1.00 0.00 C ATOM 113 CD1 PHE A 9 26.292 4.782 7.236 1.00 0.00 C ATOM 114 CD2 PHE A 9 28.309 4.641 8.499 1.00 0.00 C ATOM 115 CE1 PHE A 9 26.181 6.123 7.556 1.00 0.00 C ATOM 116 CE2 PHE A 9 28.204 5.980 8.823 1.00 0.00 C ATOM 117 CZ PHE A 9 27.138 6.722 8.351 1.00 0.00 C ATOM 0 H PHE A 9 26.286 3.101 5.220 1.00 0.00 H new ATOM 0 HA PHE A 9 29.063 2.789 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 9 26.484 2.115 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 9 28.085 2.074 8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 9 25.540 4.318 6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 9 29.144 4.066 8.871 1.00 0.00 H new ATOM 0 HE1 PHE A 9 25.347 6.701 7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 9 28.954 6.446 9.444 1.00 0.00 H new ATOM 0 HZ PHE A 9 27.054 7.769 8.604 1.00 0.00 H new ATOM 127 N ALA A 10 27.129 0.121 5.590 1.00 0.00 N ATOM 128 CA ALA A 10 27.152 -1.319 5.365 1.00 0.00 C ATOM 129 C ALA A 10 27.758 -1.650 4.005 1.00 0.00 C ATOM 130 O ALA A 10 27.366 -1.081 2.986 1.00 0.00 O ATOM 131 CB ALA A 10 25.748 -1.894 5.472 1.00 0.00 C ATOM 0 H ALA A 10 26.194 0.528 5.619 1.00 0.00 H new ATOM 0 HA ALA A 10 27.777 -1.772 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 10 25.782 -2.970 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 10 25.349 -1.696 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 10 25.106 -1.428 4.724 1.00 0.00 H new ATOM 137 N LEU A 11 28.712 -2.574 3.996 1.00 0.00 N ATOM 138 CA LEU A 11 29.372 -2.981 2.762 1.00 0.00 C ATOM 139 C LEU A 11 28.460 -3.878 1.933 1.00 0.00 C ATOM 140 O LEU A 11 28.746 -4.166 0.769 1.00 0.00 O ATOM 141 CB LEU A 11 30.683 -3.710 3.068 1.00 0.00 C ATOM 142 CG LEU A 11 31.793 -2.838 3.660 1.00 0.00 C ATOM 143 CD1 LEU A 11 31.478 -2.470 5.102 1.00 0.00 C ATOM 144 CD2 LEU A 11 33.134 -3.552 3.571 1.00 0.00 C ATOM 0 H LEU A 11 29.046 -3.056 4.831 1.00 0.00 H new ATOM 0 HA LEU A 11 29.595 -2.082 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 11 30.474 -4.524 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.051 -4.163 2.147 1.00 0.00 H new ATOM 0 HG LEU A 11 31.852 -1.917 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 11 32.280 -1.850 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.539 -1.918 5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 11 31.389 -3.378 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 11 33.912 -2.918 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 11 33.085 -4.489 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 11 33.366 -3.761 2.527 1.00 0.00 H new ATOM 156 N SER A 12 27.364 -4.319 2.540 1.00 0.00 N ATOM 157 CA SER A 12 26.407 -5.183 1.858 1.00 0.00 C ATOM 158 C SER A 12 25.535 -4.375 0.904 1.00 0.00 C ATOM 159 O SER A 12 25.441 -3.152 1.017 1.00 0.00 O ATOM 160 CB SER A 12 25.528 -5.913 2.876 1.00 0.00 C ATOM 161 OG SER A 12 24.804 -4.995 3.676 1.00 0.00 O ATOM 0 H SER A 12 27.116 -4.093 3.503 1.00 0.00 H new ATOM 0 HA SER A 12 26.966 -5.919 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.834 -6.572 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.150 -6.543 3.512 1.00 0.00 H new ATOM 0 HG SER A 12 24.249 -5.486 4.317 1.00 0.00 H new ATOM 167 N PHE A 13 24.898 -5.067 -0.035 1.00 0.00 N ATOM 168 CA PHE A 13 24.033 -4.416 -1.010 1.00 0.00 C ATOM 169 C PHE A 13 22.573 -4.494 -0.579 1.00 0.00 C ATOM 170 O PHE A 13 21.671 -4.124 -1.331 1.00 0.00 O ATOM 171 CB PHE A 13 24.208 -5.060 -2.386 1.00 0.00 C ATOM 172 CG PHE A 13 25.593 -4.906 -2.945 1.00 0.00 C ATOM 173 CD1 PHE A 13 25.943 -3.774 -3.662 1.00 0.00 C ATOM 174 CD2 PHE A 13 26.547 -5.894 -2.750 1.00 0.00 C ATOM 175 CE1 PHE A 13 27.218 -3.628 -4.174 1.00 0.00 C ATOM 176 CE2 PHE A 13 27.823 -5.753 -3.261 1.00 0.00 C ATOM 177 CZ PHE A 13 28.158 -4.618 -3.974 1.00 0.00 C ATOM 0 H PHE A 13 24.965 -6.079 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 13 24.318 -3.366 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 13 23.969 -6.121 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 13 23.493 -4.617 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 13 25.211 -2.996 -3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 13 26.290 -6.783 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 13 27.479 -2.740 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 13 28.557 -6.529 -3.103 1.00 0.00 H new ATOM 0 HZ PHE A 13 29.155 -4.506 -4.374 1.00 0.00 H new ATOM 187 N SER A 14 22.349 -4.975 0.640 1.00 0.00 N ATOM 188 CA SER A 14 21.000 -5.102 1.177 1.00 0.00 C ATOM 189 C SER A 14 20.474 -3.749 1.647 1.00 0.00 C ATOM 190 O SER A 14 20.964 -3.188 2.628 1.00 0.00 O ATOM 191 CB SER A 14 20.982 -6.100 2.337 1.00 0.00 C ATOM 192 OG SER A 14 21.410 -7.382 1.913 1.00 0.00 O ATOM 0 H SER A 14 23.086 -5.283 1.275 1.00 0.00 H new ATOM 0 HA SER A 14 20.351 -5.469 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 14 21.630 -5.743 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 14 19.975 -6.167 2.748 1.00 0.00 H new ATOM 0 HG SER A 14 21.391 -8.001 2.673 1.00 0.00 H new ATOM 198 N SER A 15 19.478 -3.230 0.936 1.00 0.00 N ATOM 199 CA SER A 15 18.885 -1.942 1.277 1.00 0.00 C ATOM 200 C SER A 15 17.905 -2.086 2.435 1.00 0.00 C ATOM 201 O SER A 15 17.534 -1.101 3.075 1.00 0.00 O ATOM 202 CB SER A 15 18.169 -1.348 0.062 1.00 0.00 C ATOM 203 OG SER A 15 19.062 -1.178 -1.026 1.00 0.00 O ATOM 0 H SER A 15 19.065 -3.682 0.120 1.00 0.00 H new ATOM 0 HA SER A 15 19.687 -1.270 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.349 -2.001 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.730 -0.387 0.329 1.00 0.00 H new ATOM 0 HG SER A 15 18.579 -0.799 -1.790 1.00 0.00 H new ATOM 209 N ALA A 16 17.493 -3.323 2.699 1.00 0.00 N ATOM 210 CA ALA A 16 16.551 -3.608 3.778 1.00 0.00 C ATOM 211 C ALA A 16 17.130 -3.222 5.135 1.00 0.00 C ATOM 212 O ALA A 16 16.525 -2.455 5.884 1.00 0.00 O ATOM 213 CB ALA A 16 16.170 -5.080 3.765 1.00 0.00 C ATOM 0 H ALA A 16 17.797 -4.146 2.179 1.00 0.00 H new ATOM 0 HA ALA A 16 15.656 -3.007 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.467 -5.281 4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.705 -5.327 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.064 -5.688 3.901 1.00 0.00 H new ATOM 219 N SER A 17 18.303 -3.762 5.447 1.00 0.00 N ATOM 220 CA SER A 17 18.965 -3.472 6.715 1.00 0.00 C ATOM 221 C SER A 17 19.810 -2.206 6.607 1.00 0.00 C ATOM 222 O SER A 17 20.574 -1.878 7.514 1.00 0.00 O ATOM 223 CB SER A 17 19.844 -4.652 7.137 1.00 0.00 C ATOM 224 OG SER A 17 19.068 -5.824 7.327 1.00 0.00 O ATOM 0 H SER A 17 18.815 -4.402 4.840 1.00 0.00 H new ATOM 0 HA SER A 17 18.197 -3.313 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 17 20.603 -4.834 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 17 20.370 -4.406 8.060 1.00 0.00 H new ATOM 0 HG SER A 17 19.653 -6.564 7.594 1.00 0.00 H new ATOM 230 N ASP A 18 19.662 -1.497 5.491 1.00 0.00 N ATOM 231 CA ASP A 18 20.413 -0.268 5.259 1.00 0.00 C ATOM 232 C ASP A 18 19.535 0.959 5.484 1.00 0.00 C ATOM 233 O ASP A 18 18.312 0.851 5.582 1.00 0.00 O ATOM 234 CB ASP A 18 20.977 -0.254 3.837 1.00 0.00 C ATOM 235 CG ASP A 18 21.933 0.901 3.602 1.00 0.00 C ATOM 236 OD1 ASP A 18 23.126 0.761 3.943 1.00 0.00 O ATOM 237 OD2 ASP A 18 21.488 1.942 3.076 1.00 0.00 O ATOM 0 H ASP A 18 19.029 -1.753 4.734 1.00 0.00 H new ATOM 0 HA ASP A 18 21.238 -0.235 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 18 21.494 -1.194 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.155 -0.192 3.124 1.00 0.00 H new ATOM 242 N ALA A 19 20.169 2.126 5.563 1.00 0.00 N ATOM 243 CA ALA A 19 19.456 3.380 5.777 1.00 0.00 C ATOM 244 C ALA A 19 18.436 3.636 4.670 1.00 0.00 C ATOM 245 O ALA A 19 17.470 4.373 4.863 1.00 0.00 O ATOM 246 CB ALA A 19 20.442 4.536 5.867 1.00 0.00 C ATOM 0 H ALA A 19 21.181 2.228 5.481 1.00 0.00 H new ATOM 0 HA ALA A 19 18.913 3.302 6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.898 5.467 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.125 4.368 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.010 4.603 4.939 1.00 0.00 H new ATOM 252 N GLU A 20 18.663 3.024 3.509 1.00 0.00 N ATOM 253 CA GLU A 20 17.768 3.185 2.367 1.00 0.00 C ATOM 254 C GLU A 20 16.340 2.792 2.730 1.00 0.00 C ATOM 255 O GLU A 20 15.392 3.518 2.426 1.00 0.00 O ATOM 256 CB GLU A 20 18.257 2.341 1.189 1.00 0.00 C ATOM 257 CG GLU A 20 17.377 2.446 -0.048 1.00 0.00 C ATOM 258 CD GLU A 20 17.286 3.862 -0.582 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.397 4.612 -0.129 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.105 4.220 -1.455 1.00 0.00 O ATOM 0 H GLU A 20 19.460 2.412 3.335 1.00 0.00 H new ATOM 0 HA GLU A 20 17.772 4.237 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.270 2.648 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.310 1.297 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.772 1.793 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.376 2.087 0.192 1.00 0.00 H new ATOM 267 N PHE A 21 16.191 1.639 3.376 1.00 0.00 N ATOM 268 CA PHE A 21 14.876 1.153 3.780 1.00 0.00 C ATOM 269 C PHE A 21 14.135 2.200 4.606 1.00 0.00 C ATOM 270 O PHE A 21 12.967 2.495 4.349 1.00 0.00 O ATOM 271 CB PHE A 21 15.014 -0.143 4.583 1.00 0.00 C ATOM 272 CG PHE A 21 13.701 -0.711 5.048 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.957 -1.537 4.221 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.214 -0.417 6.312 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.750 -2.059 4.647 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.008 -0.936 6.741 1.00 0.00 C ATOM 277 CZ PHE A 21 11.275 -1.758 5.908 1.00 0.00 C ATOM 0 H PHE A 21 16.964 1.024 3.631 1.00 0.00 H new ATOM 0 HA PHE A 21 14.298 0.955 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.524 -0.886 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.646 0.044 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.324 -1.775 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.783 0.225 6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.179 -2.702 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.638 -0.699 7.728 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.332 -2.165 6.242 1.00 0.00 H new ATOM 287 N ASP A 22 14.820 2.758 5.602 1.00 0.00 N ATOM 288 CA ASP A 22 14.229 3.772 6.469 1.00 0.00 C ATOM 289 C ASP A 22 13.719 4.957 5.655 1.00 0.00 C ATOM 290 O ASP A 22 12.641 5.490 5.923 1.00 0.00 O ATOM 291 CB ASP A 22 15.251 4.250 7.501 1.00 0.00 C ATOM 292 CG ASP A 22 15.758 3.124 8.380 1.00 0.00 C ATOM 293 OD1 ASP A 22 15.070 2.785 9.366 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.841 2.579 8.080 1.00 0.00 O ATOM 0 H ASP A 22 15.787 2.524 5.828 1.00 0.00 H new ATOM 0 HA ASP A 22 13.383 3.320 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.093 4.712 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.798 5.019 8.127 1.00 0.00 H new ATOM 299 N ALA A 23 14.501 5.365 4.661 1.00 0.00 N ATOM 300 CA ALA A 23 14.128 6.485 3.805 1.00 0.00 C ATOM 301 C ALA A 23 12.798 6.221 3.107 1.00 0.00 C ATOM 302 O ALA A 23 11.943 7.104 3.025 1.00 0.00 O ATOM 303 CB ALA A 23 15.220 6.755 2.781 1.00 0.00 C ATOM 0 H ALA A 23 15.397 4.937 4.428 1.00 0.00 H new ATOM 0 HA ALA A 23 14.011 7.368 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.927 7.594 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.150 6.996 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.366 5.869 2.163 1.00 0.00 H new ATOM 309 N VAL A 24 12.631 5.000 2.609 1.00 0.00 N ATOM 310 CA VAL A 24 11.403 4.619 1.920 1.00 0.00 C ATOM 311 C VAL A 24 10.197 4.755 2.841 1.00 0.00 C ATOM 312 O VAL A 24 9.140 5.231 2.425 1.00 0.00 O ATOM 313 CB VAL A 24 11.475 3.174 1.390 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.220 2.831 0.600 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.717 2.977 0.535 1.00 0.00 C ATOM 0 H VAL A 24 13.329 4.259 2.669 1.00 0.00 H new ATOM 0 HA VAL A 24 11.291 5.297 1.074 1.00 0.00 H new ATOM 0 HB VAL A 24 11.538 2.499 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.289 1.807 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.346 2.928 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.124 3.513 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.749 1.950 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.688 3.662 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.606 3.177 1.133 1.00 0.00 H new ATOM 325 N VAL A 25 10.360 4.336 4.094 1.00 0.00 N ATOM 326 CA VAL A 25 9.279 4.416 5.071 1.00 0.00 C ATOM 327 C VAL A 25 8.808 5.855 5.240 1.00 0.00 C ATOM 328 O VAL A 25 7.610 6.120 5.339 1.00 0.00 O ATOM 329 CB VAL A 25 9.708 3.862 6.443 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.556 3.938 7.436 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.209 2.433 6.308 1.00 0.00 C ATOM 0 H VAL A 25 11.228 3.939 4.455 1.00 0.00 H new ATOM 0 HA VAL A 25 8.461 3.805 4.689 1.00 0.00 H new ATOM 0 HB VAL A 25 10.525 4.476 6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.879 3.542 8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.247 4.976 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.716 3.350 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.508 2.058 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.414 1.805 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.065 2.410 5.634 1.00 0.00 H new ATOM 341 N GLY A 26 9.761 6.783 5.273 1.00 0.00 N ATOM 342 CA GLY A 26 9.423 8.186 5.420 1.00 0.00 C ATOM 343 C GLY A 26 8.558 8.686 4.280 1.00 0.00 C ATOM 344 O GLY A 26 7.578 9.400 4.500 1.00 0.00 O ATOM 0 H GLY A 26 10.759 6.588 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.900 8.335 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.338 8.776 5.466 1.00 0.00 H new ATOM 348 N TYR A 27 8.918 8.305 3.057 1.00 0.00 N ATOM 349 CA TYR A 27 8.167 8.717 1.878 1.00 0.00 C ATOM 350 C TYR A 27 6.785 8.069 1.863 1.00 0.00 C ATOM 351 O TYR A 27 5.833 8.633 1.323 1.00 0.00 O ATOM 352 CB TYR A 27 8.931 8.357 0.600 1.00 0.00 C ATOM 353 CG TYR A 27 10.293 9.010 0.501 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.447 10.379 0.687 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.427 8.256 0.218 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.690 10.978 0.595 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.672 8.848 0.126 1.00 0.00 C ATOM 358 CZ TYR A 27 12.799 10.208 0.315 1.00 0.00 C ATOM 359 OH TYR A 27 14.038 10.800 0.226 1.00 0.00 O ATOM 0 H TYR A 27 9.724 7.712 2.858 1.00 0.00 H new ATOM 0 HA TYR A 27 8.042 9.799 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.052 7.275 0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.334 8.649 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.581 10.985 0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.333 7.191 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.792 12.043 0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.543 8.248 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 27 14.713 10.118 0.024 1.00 0.00 H new ATOM 369 N LEU A 28 6.682 6.883 2.458 1.00 0.00 N ATOM 370 CA LEU A 28 5.409 6.169 2.516 1.00 0.00 C ATOM 371 C LEU A 28 4.395 6.941 3.354 1.00 0.00 C ATOM 372 O LEU A 28 3.255 7.144 2.934 1.00 0.00 O ATOM 373 CB LEU A 28 5.604 4.767 3.102 1.00 0.00 C ATOM 374 CG LEU A 28 6.338 3.774 2.198 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.565 2.459 2.928 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.560 3.540 0.910 1.00 0.00 C ATOM 0 H LEU A 28 7.460 6.398 2.905 1.00 0.00 H new ATOM 0 HA LEU A 28 5.028 6.078 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.155 4.856 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.625 4.355 3.347 1.00 0.00 H new ATOM 0 HG LEU A 28 7.307 4.200 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.088 1.764 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.165 2.637 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.604 2.032 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.100 2.831 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.575 3.138 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.447 4.484 0.377 1.00 0.00 H new ATOM 388 N GLU A 29 4.819 7.373 4.539 1.00 0.00 N ATOM 389 CA GLU A 29 3.948 8.123 5.438 1.00 0.00 C ATOM 390 C GLU A 29 3.545 9.458 4.818 1.00 0.00 C ATOM 391 O GLU A 29 2.431 9.937 5.024 1.00 0.00 O ATOM 392 CB GLU A 29 4.646 8.361 6.778 1.00 0.00 C ATOM 393 CG GLU A 29 4.980 7.081 7.526 1.00 0.00 C ATOM 394 CD GLU A 29 5.733 7.340 8.816 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.079 7.652 9.834 1.00 0.00 O ATOM 396 OE2 GLU A 29 6.977 7.232 8.809 1.00 0.00 O ATOM 0 H GLU A 29 5.761 7.216 4.898 1.00 0.00 H new ATOM 0 HA GLU A 29 3.047 7.533 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.565 8.921 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.007 8.982 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.058 6.544 7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.578 6.435 6.884 1.00 0.00 H new ATOM 403 N ASP A 30 4.461 10.053 4.061 1.00 0.00 N ATOM 404 CA ASP A 30 4.200 11.332 3.409 1.00 0.00 C ATOM 405 C ASP A 30 3.051 11.211 2.411 1.00 0.00 C ATOM 406 O ASP A 30 2.207 12.102 2.310 1.00 0.00 O ATOM 407 CB ASP A 30 5.460 11.830 2.697 1.00 0.00 C ATOM 408 CG ASP A 30 5.248 13.164 2.008 1.00 0.00 C ATOM 409 OD1 ASP A 30 4.833 13.165 0.830 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.497 14.208 2.647 1.00 0.00 O ATOM 0 H ASP A 30 5.390 9.671 3.884 1.00 0.00 H new ATOM 0 HA ASP A 30 3.915 12.052 4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.270 11.923 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.774 11.090 1.961 1.00 0.00 H new ATOM 415 N ILE A 31 3.024 10.101 1.679 1.00 0.00 N ATOM 416 CA ILE A 31 1.982 9.858 0.687 1.00 0.00 C ATOM 417 C ILE A 31 0.636 9.578 1.352 1.00 0.00 C ATOM 418 O ILE A 31 -0.407 10.007 0.864 1.00 0.00 O ATOM 419 CB ILE A 31 2.349 8.672 -0.228 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.667 8.952 -0.954 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.234 8.405 -1.229 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.217 7.754 -1.697 1.00 0.00 C ATOM 0 H ILE A 31 3.714 9.354 1.755 1.00 0.00 H new ATOM 0 HA ILE A 31 1.900 10.763 0.086 1.00 0.00 H new ATOM 0 HB ILE A 31 2.474 7.782 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.517 9.769 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.407 9.290 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.511 7.565 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.314 8.168 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.078 9.291 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.152 8.027 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.400 6.942 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.496 7.429 -2.447 1.00 0.00 H new ATOM 434 N ILE A 32 0.669 8.856 2.467 1.00 0.00 N ATOM 435 CA ILE A 32 -0.550 8.515 3.194 1.00 0.00 C ATOM 436 C ILE A 32 -1.272 9.768 3.683 1.00 0.00 C ATOM 437 O ILE A 32 -2.497 9.862 3.601 1.00 0.00 O ATOM 438 CB ILE A 32 -0.245 7.609 4.405 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.393 6.299 3.939 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.514 7.333 5.200 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.992 5.483 5.064 1.00 0.00 C ATOM 0 H ILE A 32 1.526 8.496 2.887 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.193 7.978 2.496 1.00 0.00 H new ATOM 0 HB ILE A 32 0.460 8.126 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.360 5.700 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.171 6.523 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.279 6.692 6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.930 8.274 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.243 6.834 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.426 4.569 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.769 6.064 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.213 5.228 5.783 1.00 0.00 H new ATOM 453 N MET A 33 -0.505 10.727 4.187 1.00 0.00 N ATOM 454 CA MET A 33 -1.072 11.969 4.699 1.00 0.00 C ATOM 455 C MET A 33 -1.211 13.017 3.598 1.00 0.00 C ATOM 456 O MET A 33 -1.642 14.142 3.854 1.00 0.00 O ATOM 457 CB MET A 33 -0.204 12.513 5.833 1.00 0.00 C ATOM 458 CG MET A 33 -0.190 11.623 7.068 1.00 0.00 C ATOM 459 SD MET A 33 -1.836 11.378 7.764 1.00 0.00 S ATOM 460 CE MET A 33 -2.320 13.071 8.086 1.00 0.00 C ATOM 0 H MET A 33 0.511 10.669 4.252 1.00 0.00 H new ATOM 0 HA MET A 33 -2.069 11.749 5.080 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.817 12.635 5.472 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.564 13.503 6.113 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.239 10.655 6.809 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.458 12.067 7.824 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.150 13.084 8.793 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.476 13.617 8.507 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.629 13.544 7.154 1.00 0.00 H new ATOM 470 N ASP A 34 -0.847 12.645 2.376 1.00 0.00 N ATOM 471 CA ASP A 34 -0.936 13.559 1.241 1.00 0.00 C ATOM 472 C ASP A 34 -2.386 13.950 0.969 1.00 0.00 C ATOM 473 O ASP A 34 -3.265 13.093 0.880 1.00 0.00 O ATOM 474 CB ASP A 34 -0.321 12.923 -0.006 1.00 0.00 C ATOM 475 CG ASP A 34 -0.363 13.847 -1.206 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.554 14.683 -1.344 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.311 13.732 -2.010 1.00 0.00 O ATOM 0 H ASP A 34 -0.488 11.719 2.145 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.377 14.461 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.713 12.649 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.854 12.002 -0.241 1.00 0.00 H new ATOM 482 N ASP A 35 -2.626 15.252 0.835 1.00 0.00 N ATOM 483 CA ASP A 35 -3.967 15.772 0.578 1.00 0.00 C ATOM 484 C ASP A 35 -4.581 15.140 -0.669 1.00 0.00 C ATOM 485 O ASP A 35 -5.710 14.651 -0.634 1.00 0.00 O ATOM 486 CB ASP A 35 -3.919 17.293 0.421 1.00 0.00 C ATOM 487 CG ASP A 35 -5.294 17.899 0.229 1.00 0.00 C ATOM 488 OD1 ASP A 35 -5.950 18.220 1.242 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.717 18.054 -0.936 1.00 0.00 O ATOM 0 H ASP A 35 -1.905 15.970 0.901 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.595 15.514 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.452 17.732 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.291 17.547 -0.433 1.00 0.00 H new ATOM 494 N GLU A 36 -3.834 15.158 -1.769 1.00 0.00 N ATOM 495 CA GLU A 36 -4.309 14.592 -3.027 1.00 0.00 C ATOM 496 C GLU A 36 -4.575 13.094 -2.888 1.00 0.00 C ATOM 497 O GLU A 36 -5.410 12.535 -3.599 1.00 0.00 O ATOM 498 CB GLU A 36 -3.291 14.840 -4.142 1.00 0.00 C ATOM 499 CG GLU A 36 -3.767 14.391 -5.515 1.00 0.00 C ATOM 500 CD GLU A 36 -5.001 15.140 -5.981 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.846 16.208 -6.608 1.00 0.00 O ATOM 502 OE2 GLU A 36 -6.123 14.655 -5.720 1.00 0.00 O ATOM 0 H GLU A 36 -2.897 15.559 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.246 15.086 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.057 15.904 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.365 14.318 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.965 14.536 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.984 13.323 -5.489 1.00 0.00 H new ATOM 509 N PHE A 37 -3.862 12.451 -1.967 1.00 0.00 N ATOM 510 CA PHE A 37 -4.023 11.019 -1.740 1.00 0.00 C ATOM 511 C PHE A 37 -5.308 10.729 -0.971 1.00 0.00 C ATOM 512 O PHE A 37 -6.019 9.772 -1.274 1.00 0.00 O ATOM 513 CB PHE A 37 -2.819 10.465 -0.975 1.00 0.00 C ATOM 514 CG PHE A 37 -2.912 8.993 -0.683 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.652 8.057 -1.671 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.261 8.546 0.583 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.736 6.704 -1.403 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.348 7.195 0.856 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.085 6.272 -0.138 1.00 0.00 C ATOM 0 H PHE A 37 -3.169 12.898 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.086 10.528 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.914 10.655 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.717 11.007 -0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.380 8.389 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.467 9.263 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.529 5.985 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.621 6.860 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.152 5.215 0.074 1.00 0.00 H new ATOM 529 N GLN A 38 -5.599 11.560 0.027 1.00 0.00 N ATOM 530 CA GLN A 38 -6.800 11.391 0.837 1.00 0.00 C ATOM 531 C GLN A 38 -8.054 11.643 0.005 1.00 0.00 C ATOM 532 O GLN A 38 -9.073 10.975 0.183 1.00 0.00 O ATOM 533 CB GLN A 38 -6.775 12.343 2.036 1.00 0.00 C ATOM 534 CG GLN A 38 -5.624 12.088 2.995 1.00 0.00 C ATOM 535 CD GLN A 38 -5.606 13.065 4.156 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.025 14.215 4.023 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.122 12.609 5.306 1.00 0.00 N ATOM 0 H GLN A 38 -5.019 12.356 0.293 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.820 10.363 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.713 13.369 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.716 12.253 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.696 11.071 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.681 12.157 2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.785 11.649 5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.087 13.219 6.123 1.00 0.00 H new ATOM 546 N LEU A 39 -7.969 12.608 -0.903 1.00 0.00 N ATOM 547 CA LEU A 39 -9.093 12.955 -1.763 1.00 0.00 C ATOM 548 C LEU A 39 -9.385 11.831 -2.754 1.00 0.00 C ATOM 549 O LEU A 39 -10.542 11.491 -2.997 1.00 0.00 O ATOM 550 CB LEU A 39 -8.800 14.259 -2.510 1.00 0.00 C ATOM 551 CG LEU A 39 -10.003 14.905 -3.203 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.794 16.406 -3.339 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.237 14.281 -4.571 1.00 0.00 C ATOM 0 H LEU A 39 -7.130 13.166 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.975 13.095 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.381 14.976 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.033 14.064 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.885 14.728 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.658 16.850 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.675 16.848 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.899 16.597 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.096 14.755 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.354 14.426 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.429 13.214 -4.456 1.00 0.00 H new ATOM 565 N LEU A 40 -8.327 11.259 -3.319 1.00 0.00 N ATOM 566 CA LEU A 40 -8.464 10.176 -4.288 1.00 0.00 C ATOM 567 C LEU A 40 -8.895 8.878 -3.608 1.00 0.00 C ATOM 568 O LEU A 40 -9.669 8.101 -4.167 1.00 0.00 O ATOM 569 CB LEU A 40 -7.139 9.973 -5.033 1.00 0.00 C ATOM 570 CG LEU A 40 -7.095 8.774 -5.985 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.261 9.101 -7.213 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.531 7.550 -5.278 1.00 0.00 C ATOM 0 H LEU A 40 -7.363 11.528 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.239 10.452 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.921 10.876 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.342 9.860 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.114 8.552 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.240 8.238 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.700 9.952 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.244 9.348 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.508 6.708 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.520 7.763 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.161 7.300 -4.424 1.00 0.00 H new ATOM 584 N GLN A 41 -8.391 8.652 -2.400 1.00 0.00 N ATOM 585 CA GLN A 41 -8.717 7.443 -1.649 1.00 0.00 C ATOM 586 C GLN A 41 -10.185 7.430 -1.235 1.00 0.00 C ATOM 587 O GLN A 41 -10.901 6.464 -1.493 1.00 0.00 O ATOM 588 CB GLN A 41 -7.825 7.333 -0.411 1.00 0.00 C ATOM 589 CG GLN A 41 -8.022 6.044 0.371 1.00 0.00 C ATOM 590 CD GLN A 41 -7.117 5.954 1.586 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.764 6.969 2.187 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.736 4.736 1.950 1.00 0.00 N ATOM 0 H GLN A 41 -7.756 9.289 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.538 6.586 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.782 7.406 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.024 8.180 0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.062 5.973 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.831 5.194 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.053 3.923 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.126 4.613 2.758 1.00 0.00 H new ATOM 601 N ARG A 42 -10.625 8.505 -0.592 1.00 0.00 N ATOM 602 CA ARG A 42 -12.006 8.613 -0.134 1.00 0.00 C ATOM 603 C ARG A 42 -12.982 8.654 -1.308 1.00 0.00 C ATOM 604 O ARG A 42 -14.101 8.149 -1.212 1.00 0.00 O ATOM 605 CB ARG A 42 -12.178 9.863 0.728 1.00 0.00 C ATOM 606 CG ARG A 42 -11.373 9.827 2.017 1.00 0.00 C ATOM 607 CD ARG A 42 -11.576 11.091 2.835 1.00 0.00 C ATOM 608 NE ARG A 42 -10.850 11.045 4.102 1.00 0.00 N ATOM 609 CZ ARG A 42 -10.989 11.951 5.066 1.00 0.00 C ATOM 610 NH1 ARG A 42 -11.822 12.970 4.906 1.00 0.00 N ATOM 611 NH2 ARG A 42 -10.295 11.838 6.189 1.00 0.00 N ATOM 0 H ARG A 42 -10.045 9.316 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.230 7.728 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.882 10.738 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.234 9.984 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.667 8.959 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.315 9.709 1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.244 11.954 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.639 11.229 3.031 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.200 10.274 4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.358 13.060 4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.927 13.664 5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.653 11.055 6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.403 12.534 6.927 1.00 0.00 H new ATOM 625 N ASN A 43 -12.553 9.257 -2.413 1.00 0.00 N ATOM 626 CA ASN A 43 -13.395 9.369 -3.599 1.00 0.00 C ATOM 627 C ASN A 43 -13.773 7.995 -4.144 1.00 0.00 C ATOM 628 O ASN A 43 -14.943 7.729 -4.421 1.00 0.00 O ATOM 629 CB ASN A 43 -12.682 10.178 -4.682 1.00 0.00 C ATOM 630 CG ASN A 43 -13.534 10.361 -5.923 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.762 10.403 -5.846 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.885 10.471 -7.076 1.00 0.00 N ATOM 0 H ASN A 43 -11.628 9.675 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.310 9.884 -3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.412 11.156 -4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.753 9.677 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.405 10.596 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.866 10.431 -7.093 1.00 0.00 H new ATOM 639 N PHE A 44 -12.780 7.125 -4.298 1.00 0.00 N ATOM 640 CA PHE A 44 -13.018 5.782 -4.820 1.00 0.00 C ATOM 641 C PHE A 44 -13.635 4.868 -3.763 1.00 0.00 C ATOM 642 O PHE A 44 -14.512 4.063 -4.071 1.00 0.00 O ATOM 643 CB PHE A 44 -11.718 5.177 -5.349 1.00 0.00 C ATOM 644 CG PHE A 44 -11.346 5.675 -6.718 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.849 6.956 -6.892 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.502 4.863 -7.830 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.513 7.418 -8.151 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.168 5.319 -9.091 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.672 6.599 -9.252 1.00 0.00 C ATOM 0 H PHE A 44 -11.806 7.324 -4.070 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.730 5.869 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.910 5.406 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.816 4.092 -5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.723 7.601 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.889 3.862 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.126 8.419 -8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.294 4.676 -9.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.409 6.958 -10.236 1.00 0.00 H new ATOM 659 N MET A 45 -13.176 4.994 -2.521 1.00 0.00 N ATOM 660 CA MET A 45 -13.696 4.170 -1.434 1.00 0.00 C ATOM 661 C MET A 45 -15.199 4.368 -1.272 1.00 0.00 C ATOM 662 O MET A 45 -15.904 3.476 -0.801 1.00 0.00 O ATOM 663 CB MET A 45 -12.984 4.495 -0.121 1.00 0.00 C ATOM 664 CG MET A 45 -11.608 3.863 -0.004 1.00 0.00 C ATOM 665 SD MET A 45 -10.894 4.052 1.641 1.00 0.00 S ATOM 666 CE MET A 45 -12.102 3.182 2.637 1.00 0.00 C ATOM 0 H MET A 45 -12.450 5.654 -2.243 1.00 0.00 H new ATOM 0 HA MET A 45 -13.508 3.127 -1.688 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.887 5.577 -0.028 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.602 4.157 0.711 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.678 2.802 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.942 4.314 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.633 2.838 3.559 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.926 3.853 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.482 2.325 2.081 1.00 0.00 H new ATOM 676 N ASP A 46 -15.680 5.542 -1.664 1.00 0.00 N ATOM 677 CA ASP A 46 -17.101 5.858 -1.568 1.00 0.00 C ATOM 678 C ASP A 46 -17.924 4.932 -2.459 1.00 0.00 C ATOM 679 O ASP A 46 -19.078 4.632 -2.159 1.00 0.00 O ATOM 680 CB ASP A 46 -17.348 7.317 -1.959 1.00 0.00 C ATOM 681 CG ASP A 46 -18.797 7.725 -1.773 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.601 7.501 -2.702 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.127 8.268 -0.697 1.00 0.00 O ATOM 0 H ASP A 46 -15.107 6.291 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.413 5.710 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.710 7.965 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -17.062 7.465 -3.000 1.00 0.00 H new ATOM 688 N LYS A 47 -17.325 4.491 -3.561 1.00 0.00 N ATOM 689 CA LYS A 47 -17.999 3.601 -4.502 1.00 0.00 C ATOM 690 C LYS A 47 -17.709 2.135 -4.175 1.00 0.00 C ATOM 691 O LYS A 47 -18.614 1.300 -4.145 1.00 0.00 O ATOM 692 CB LYS A 47 -17.540 3.912 -5.928 1.00 0.00 C ATOM 693 CG LYS A 47 -18.452 3.348 -7.007 1.00 0.00 C ATOM 694 CD LYS A 47 -19.789 4.070 -7.044 1.00 0.00 C ATOM 695 CE LYS A 47 -20.661 3.567 -8.183 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.994 3.723 -9.504 1.00 0.00 N ATOM 0 H LYS A 47 -16.371 4.736 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.073 3.765 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.475 4.993 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.535 3.514 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.964 3.434 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.616 2.286 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.308 3.927 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.622 5.141 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.901 2.516 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.604 4.113 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.675 4.099 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.194 4.381 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.646 2.798 -9.829 1.00 0.00 H new ATOM 710 N TYR A 48 -16.436 1.839 -3.936 1.00 0.00 N ATOM 711 CA TYR A 48 -16.002 0.480 -3.618 1.00 0.00 C ATOM 712 C TYR A 48 -16.753 -0.094 -2.417 1.00 0.00 C ATOM 713 O TYR A 48 -17.222 -1.232 -2.459 1.00 0.00 O ATOM 714 CB TYR A 48 -14.497 0.460 -3.338 1.00 0.00 C ATOM 715 CG TYR A 48 -13.634 0.506 -4.582 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.822 1.485 -5.549 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.626 -0.430 -4.784 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.031 1.531 -6.682 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.831 -0.391 -5.915 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.038 0.591 -6.859 1.00 0.00 C ATOM 721 OH TYR A 48 -11.250 0.634 -7.985 1.00 0.00 O ATOM 0 H TYR A 48 -15.681 2.525 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.226 -0.144 -4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.245 1.310 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.255 -0.441 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.599 2.223 -5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.461 -1.200 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.190 2.299 -7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.053 -1.126 -6.057 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.598 -0.097 -7.956 1.00 0.00 H new ATOM 731 N TYR A 49 -16.863 0.691 -1.349 1.00 0.00 N ATOM 732 CA TYR A 49 -17.543 0.238 -0.138 1.00 0.00 C ATOM 733 C TYR A 49 -19.025 -0.030 -0.400 1.00 0.00 C ATOM 734 O TYR A 49 -19.681 -0.731 0.372 1.00 0.00 O ATOM 735 CB TYR A 49 -17.364 1.260 0.995 1.00 0.00 C ATOM 736 CG TYR A 49 -18.569 2.143 1.250 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.768 3.308 0.522 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.502 1.812 2.225 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.863 4.117 0.756 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.600 2.615 2.465 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.776 3.767 1.728 1.00 0.00 C ATOM 742 OH TYR A 49 -21.867 4.571 1.963 1.00 0.00 O ATOM 0 H TYR A 49 -16.492 1.640 -1.297 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.087 -0.703 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.122 0.725 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.509 1.894 0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.055 3.587 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.366 0.911 2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.003 5.020 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.317 2.342 3.226 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.412 4.182 2.678 1.00 0.00 H new ATOM 752 N LEU A 50 -19.548 0.528 -1.489 1.00 0.00 N ATOM 753 CA LEU A 50 -20.951 0.334 -1.839 1.00 0.00 C ATOM 754 C LEU A 50 -21.171 -1.047 -2.445 1.00 0.00 C ATOM 755 O LEU A 50 -22.065 -1.782 -2.025 1.00 0.00 O ATOM 756 CB LEU A 50 -21.421 1.418 -2.812 1.00 0.00 C ATOM 757 CG LEU A 50 -21.573 2.814 -2.203 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.950 3.826 -3.273 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.615 2.799 -1.093 1.00 0.00 C ATOM 0 H LEU A 50 -19.025 1.114 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.539 0.409 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.713 1.474 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.380 1.116 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.615 3.109 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.054 4.812 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.172 3.856 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.896 3.536 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.711 3.799 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.576 2.483 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.305 2.104 -0.313 1.00 0.00 H new ATOM 771 N GLU A 51 -20.355 -1.396 -3.436 1.00 0.00 N ATOM 772 CA GLU A 51 -20.465 -2.696 -4.088 1.00 0.00 C ATOM 773 C GLU A 51 -20.094 -3.818 -3.122 1.00 0.00 C ATOM 774 O GLU A 51 -20.706 -4.887 -3.133 1.00 0.00 O ATOM 775 CB GLU A 51 -19.573 -2.758 -5.330 1.00 0.00 C ATOM 776 CG GLU A 51 -20.109 -1.961 -6.508 1.00 0.00 C ATOM 777 CD GLU A 51 -20.168 -0.473 -6.229 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.207 -0.005 -5.717 1.00 0.00 O ATOM 779 OE2 GLU A 51 -19.175 0.225 -6.523 1.00 0.00 O ATOM 0 H GLU A 51 -19.614 -0.799 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.502 -2.829 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.581 -2.387 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.456 -3.799 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.478 -2.138 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -21.107 -2.319 -6.760 1.00 0.00 H new ATOM 786 N PHE A 52 -19.091 -3.566 -2.286 1.00 0.00 N ATOM 787 CA PHE A 52 -18.642 -4.554 -1.311 1.00 0.00 C ATOM 788 C PHE A 52 -19.634 -4.672 -0.160 1.00 0.00 C ATOM 789 O PHE A 52 -19.518 -3.974 0.849 1.00 0.00 O ATOM 790 CB PHE A 52 -17.257 -4.190 -0.770 1.00 0.00 C ATOM 791 CG PHE A 52 -16.122 -4.755 -1.579 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.701 -4.127 -2.740 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.474 -5.910 -1.173 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.654 -4.643 -3.482 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.427 -6.431 -1.911 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.016 -5.796 -3.066 1.00 0.00 C ATOM 0 H PHE A 52 -18.574 -2.687 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.580 -5.517 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.163 -3.104 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.173 -4.547 0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.196 -3.225 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.790 -6.410 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.335 -4.145 -4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.932 -7.333 -1.584 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.197 -6.200 -3.643 1.00 0.00 H new ATOM 806 N GLU A 53 -20.615 -5.552 -0.320 1.00 0.00 N ATOM 807 CA GLU A 53 -21.624 -5.766 0.709 1.00 0.00 C ATOM 808 C GLU A 53 -21.181 -6.860 1.672 1.00 0.00 C ATOM 809 O GLU A 53 -20.282 -7.643 1.365 1.00 0.00 O ATOM 810 CB GLU A 53 -22.964 -6.138 0.073 1.00 0.00 C ATOM 811 CG GLU A 53 -23.506 -5.079 -0.874 1.00 0.00 C ATOM 812 CD GLU A 53 -24.821 -5.483 -1.507 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.880 -5.196 -0.911 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.794 -6.087 -2.601 1.00 0.00 O ATOM 0 H GLU A 53 -20.733 -6.129 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.746 -4.838 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.850 -7.075 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.694 -6.315 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.641 -4.144 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.773 -4.888 -1.658 1.00 0.00 H new ATOM 821 N ASP A 54 -21.816 -6.911 2.837 1.00 0.00 N ATOM 822 CA ASP A 54 -21.491 -7.904 3.842 1.00 0.00 C ATOM 823 C ASP A 54 -22.069 -9.268 3.474 1.00 0.00 C ATOM 824 O ASP A 54 -22.037 -10.202 4.276 1.00 0.00 O ATOM 825 CB ASP A 54 -22.030 -7.450 5.194 1.00 0.00 C ATOM 826 CG ASP A 54 -23.543 -7.357 5.213 1.00 0.00 C ATOM 827 OD1 ASP A 54 -24.076 -6.274 4.889 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.196 -8.367 5.551 1.00 0.00 O ATOM 0 H ASP A 54 -22.563 -6.270 3.106 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.407 -8.005 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.702 -8.147 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.606 -6.477 5.443 1.00 0.00 H new ATOM 833 N THR A 55 -22.595 -9.377 2.256 1.00 0.00 N ATOM 834 CA THR A 55 -23.179 -10.627 1.783 1.00 0.00 C ATOM 835 C THR A 55 -22.118 -11.715 1.654 1.00 0.00 C ATOM 836 O THR A 55 -20.995 -11.453 1.226 1.00 0.00 O ATOM 837 CB THR A 55 -23.878 -10.442 0.423 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.948 -9.928 -0.540 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.063 -9.496 0.544 1.00 0.00 C ATOM 0 H THR A 55 -22.628 -8.614 1.580 1.00 0.00 H new ATOM 0 HA THR A 55 -23.919 -10.931 2.524 1.00 0.00 H new ATOM 0 HB THR A 55 -24.244 -11.415 0.094 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.399 -9.815 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.539 -9.383 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.783 -9.903 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.718 -8.523 0.895 1.00 0.00 H new ATOM 847 N GLU A 56 -22.484 -12.939 2.026 1.00 0.00 N ATOM 848 CA GLU A 56 -21.563 -14.069 1.954 1.00 0.00 C ATOM 849 C GLU A 56 -21.501 -14.636 0.539 1.00 0.00 C ATOM 850 O GLU A 56 -20.750 -15.574 0.269 1.00 0.00 O ATOM 851 CB GLU A 56 -21.987 -15.161 2.937 1.00 0.00 C ATOM 852 CG GLU A 56 -22.015 -14.701 4.386 1.00 0.00 C ATOM 853 CD GLU A 56 -22.544 -15.766 5.327 1.00 0.00 C ATOM 854 OE1 GLU A 56 -21.732 -16.572 5.827 1.00 0.00 O ATOM 855 OE2 GLU A 56 -23.769 -15.792 5.566 1.00 0.00 O ATOM 0 H GLU A 56 -23.411 -13.173 2.380 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.569 -13.712 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.978 -15.522 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.303 -16.005 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -21.008 -14.418 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.636 -13.809 4.468 1.00 0.00 H new ATOM 862 N GLU A 57 -22.295 -14.063 -0.361 1.00 0.00 N ATOM 863 CA GLU A 57 -22.328 -14.515 -1.749 1.00 0.00 C ATOM 864 C GLU A 57 -21.126 -13.994 -2.527 1.00 0.00 C ATOM 865 O GLU A 57 -20.531 -12.976 -2.168 1.00 0.00 O ATOM 866 CB GLU A 57 -23.620 -14.062 -2.429 1.00 0.00 C ATOM 867 CG GLU A 57 -24.831 -14.895 -2.046 1.00 0.00 C ATOM 868 CD GLU A 57 -24.748 -16.317 -2.565 1.00 0.00 C ATOM 869 OE1 GLU A 57 -24.970 -16.522 -3.777 1.00 0.00 O ATOM 870 OE2 GLU A 57 -24.460 -17.226 -1.758 1.00 0.00 O ATOM 0 H GLU A 57 -22.923 -13.286 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.289 -15.604 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.810 -13.020 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.487 -14.105 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.926 -14.913 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -25.732 -14.421 -2.437 1.00 0.00 H new ATOM 877 N ASN A 58 -20.775 -14.701 -3.595 1.00 0.00 N ATOM 878 CA ASN A 58 -19.648 -14.317 -4.435 1.00 0.00 C ATOM 879 C ASN A 58 -20.132 -13.837 -5.800 1.00 0.00 C ATOM 880 O ASN A 58 -21.056 -14.411 -6.377 1.00 0.00 O ATOM 881 CB ASN A 58 -18.684 -15.493 -4.606 1.00 0.00 C ATOM 882 CG ASN A 58 -19.321 -16.663 -5.330 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.918 -17.542 -4.708 1.00 0.00 O ATOM 884 ND2 ASN A 58 -19.197 -16.680 -6.653 1.00 0.00 N ATOM 0 H ASN A 58 -21.257 -15.546 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.122 -13.498 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.806 -15.161 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.338 -15.821 -3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.605 -17.442 -7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.694 -15.931 -7.128 1.00 0.00 H new ATOM 891 N LYS A 59 -19.504 -12.781 -6.309 1.00 0.00 N ATOM 892 CA LYS A 59 -19.873 -12.224 -7.606 1.00 0.00 C ATOM 893 C LYS A 59 -18.641 -12.037 -8.487 1.00 0.00 C ATOM 894 O LYS A 59 -17.514 -11.988 -7.995 1.00 0.00 O ATOM 895 CB LYS A 59 -20.594 -10.888 -7.420 1.00 0.00 C ATOM 896 CG LYS A 59 -21.870 -10.997 -6.600 1.00 0.00 C ATOM 897 CD LYS A 59 -22.485 -9.631 -6.331 1.00 0.00 C ATOM 898 CE LYS A 59 -23.015 -8.988 -7.603 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.595 -7.641 -7.343 1.00 0.00 N ATOM 0 H LYS A 59 -18.738 -12.294 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.545 -12.925 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.918 -10.184 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.835 -10.475 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.590 -11.622 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.653 -11.491 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.297 -9.734 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.738 -8.979 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.208 -8.902 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.775 -9.632 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.945 -7.236 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.382 -7.726 -6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.863 -7.019 -6.944 1.00 0.00 H new ATOM 913 N LEU A 60 -18.864 -11.935 -9.794 1.00 0.00 N ATOM 914 CA LEU A 60 -17.773 -11.758 -10.746 1.00 0.00 C ATOM 915 C LEU A 60 -17.313 -10.304 -10.791 1.00 0.00 C ATOM 916 O LEU A 60 -16.267 -9.993 -11.359 1.00 0.00 O ATOM 917 CB LEU A 60 -18.203 -12.208 -12.148 1.00 0.00 C ATOM 918 CG LEU A 60 -18.346 -13.723 -12.346 1.00 0.00 C ATOM 919 CD1 LEU A 60 -17.045 -14.437 -12.010 1.00 0.00 C ATOM 920 CD2 LEU A 60 -19.491 -14.271 -11.508 1.00 0.00 C ATOM 0 H LEU A 60 -19.791 -11.972 -10.218 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.939 -12.376 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.158 -11.738 -12.384 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.476 -11.833 -12.869 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.574 -13.907 -13.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.170 -15.510 -12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -16.251 -14.071 -12.661 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.781 -14.242 -10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -19.574 -15.347 -11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -19.299 -14.071 -10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -20.422 -13.789 -11.805 1.00 0.00 H new ATOM 932 N ILE A 61 -18.099 -9.418 -10.186 1.00 0.00 N ATOM 933 CA ILE A 61 -17.776 -7.995 -10.164 1.00 0.00 C ATOM 934 C ILE A 61 -16.545 -7.715 -9.300 1.00 0.00 C ATOM 935 O ILE A 61 -15.949 -6.638 -9.378 1.00 0.00 O ATOM 936 CB ILE A 61 -18.968 -7.162 -9.643 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.726 -5.667 -9.868 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.213 -7.445 -8.167 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.614 -5.281 -11.328 1.00 0.00 C ATOM 0 H ILE A 61 -18.965 -9.661 -9.704 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.558 -7.702 -11.191 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.857 -7.452 -10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.541 -5.104 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.811 -5.375 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.056 -6.849 -7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.435 -8.503 -8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.323 -7.185 -7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.443 -4.207 -11.408 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.781 -5.816 -11.783 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.538 -5.541 -11.845 1.00 0.00 H new ATOM 951 N TYR A 62 -16.161 -8.692 -8.487 1.00 0.00 N ATOM 952 CA TYR A 62 -15.005 -8.543 -7.612 1.00 0.00 C ATOM 953 C TYR A 62 -13.698 -8.566 -8.400 1.00 0.00 C ATOM 954 O TYR A 62 -12.670 -8.091 -7.919 1.00 0.00 O ATOM 955 CB TYR A 62 -14.991 -9.645 -6.549 1.00 0.00 C ATOM 956 CG TYR A 62 -16.047 -9.471 -5.482 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.045 -8.356 -4.651 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.045 -10.421 -5.300 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.006 -8.194 -3.673 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.010 -10.264 -4.323 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.985 -9.150 -3.512 1.00 0.00 C ATOM 962 OH TYR A 62 -18.945 -8.990 -2.539 1.00 0.00 O ATOM 0 H TYR A 62 -16.632 -9.594 -8.416 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.089 -7.573 -7.122 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.134 -10.610 -7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.009 -9.669 -6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.279 -7.604 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.067 -11.296 -5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.990 -7.321 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.780 -11.011 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.561 -9.752 -2.559 1.00 0.00 H new ATOM 972 N THR A 63 -13.738 -9.116 -9.612 1.00 0.00 N ATOM 973 CA THR A 63 -12.541 -9.192 -10.445 1.00 0.00 C ATOM 974 C THR A 63 -12.204 -7.835 -11.074 1.00 0.00 C ATOM 975 O THR A 63 -11.072 -7.365 -10.948 1.00 0.00 O ATOM 976 CB THR A 63 -12.677 -10.261 -11.550 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.996 -11.530 -10.966 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.390 -10.380 -12.352 1.00 0.00 C ATOM 0 H THR A 63 -14.577 -9.512 -10.035 1.00 0.00 H new ATOM 0 HA THR A 63 -11.724 -9.482 -9.785 1.00 0.00 H new ATOM 0 HB THR A 63 -13.479 -9.955 -12.222 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.082 -12.203 -11.673 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.511 -11.140 -13.124 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.162 -9.422 -12.818 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.573 -10.664 -11.689 1.00 0.00 H new ATOM 986 N PRO A 64 -13.166 -7.175 -11.759 1.00 0.00 N ATOM 987 CA PRO A 64 -12.923 -5.866 -12.376 1.00 0.00 C ATOM 988 C PRO A 64 -12.590 -4.798 -11.340 1.00 0.00 C ATOM 989 O PRO A 64 -11.708 -3.966 -11.557 1.00 0.00 O ATOM 990 CB PRO A 64 -14.248 -5.534 -13.076 1.00 0.00 C ATOM 991 CG PRO A 64 -14.957 -6.837 -13.202 1.00 0.00 C ATOM 992 CD PRO A 64 -14.541 -7.641 -12.005 1.00 0.00 C ATOM 0 HA PRO A 64 -12.070 -5.892 -13.054 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.833 -4.821 -12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.075 -5.083 -14.053 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.037 -6.695 -13.222 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.685 -7.343 -14.128 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.190 -7.456 -11.149 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.575 -8.712 -12.206 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.300 -4.826 -10.215 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.073 -3.857 -9.147 1.00 0.00 C ATOM 1002 C ILE A 65 -11.673 -4.002 -8.556 1.00 0.00 C ATOM 1003 O ILE A 65 -10.969 -3.012 -8.351 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.117 -4.006 -8.022 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.520 -3.717 -8.562 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.788 -3.078 -6.860 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.621 -3.943 -7.547 1.00 0.00 C ATOM 0 H ILE A 65 -14.034 -5.506 -10.020 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.171 -2.867 -9.593 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.090 -5.032 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.562 -2.684 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.703 -4.350 -9.430 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.536 -3.197 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.804 -3.326 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.789 -2.045 -7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.586 -3.718 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.607 -4.983 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.463 -3.291 -6.688 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.274 -5.241 -8.283 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.960 -5.515 -7.709 1.00 0.00 C ATOM 1021 C PHE A 66 -8.842 -5.019 -8.621 1.00 0.00 C ATOM 1022 O PHE A 66 -7.912 -4.351 -8.170 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.797 -7.014 -7.452 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.467 -7.380 -6.858 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.200 -7.131 -5.521 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.486 -7.971 -7.635 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.977 -7.466 -4.972 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.261 -8.309 -7.091 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.005 -8.055 -5.758 1.00 0.00 C ATOM 0 H PHE A 66 -11.842 -6.072 -8.450 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.890 -4.978 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.589 -7.348 -6.782 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.927 -7.552 -8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.956 -6.670 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.680 -8.170 -8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.781 -7.268 -3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.505 -8.771 -7.708 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.048 -8.316 -5.331 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.937 -5.353 -9.904 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.932 -4.942 -10.879 1.00 0.00 C ATOM 1041 C ASN A 67 -7.847 -3.422 -10.970 1.00 0.00 C ATOM 1042 O ASN A 67 -6.784 -2.865 -11.241 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.255 -5.527 -12.254 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.302 -7.042 -12.240 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.606 -7.689 -11.455 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.124 -7.617 -13.108 1.00 0.00 N ATOM 0 H ASN A 67 -9.700 -5.907 -10.293 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.966 -5.322 -10.546 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.215 -5.139 -12.594 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.505 -5.196 -12.972 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.198 -8.634 -13.144 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.682 -7.042 -13.740 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.976 -2.758 -10.740 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.032 -1.303 -10.798 1.00 0.00 C ATOM 1055 C GLU A 68 -8.276 -0.677 -9.629 1.00 0.00 C ATOM 1056 O GLU A 68 -7.630 0.359 -9.779 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.486 -0.828 -10.789 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.637 0.672 -10.978 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.137 1.143 -12.329 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.925 1.112 -13.297 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.956 1.540 -12.420 1.00 0.00 O ATOM 0 H GLU A 68 -9.864 -3.205 -10.512 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.556 -0.985 -11.726 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.032 -1.342 -11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.947 -1.115 -9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.687 0.944 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.089 1.190 -10.191 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.365 -1.315 -8.467 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.697 -0.825 -7.266 1.00 0.00 C ATOM 1070 C TYR A 69 -6.184 -0.992 -7.366 1.00 0.00 C ATOM 1071 O TYR A 69 -5.422 -0.118 -6.952 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.218 -1.573 -6.037 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.714 -1.020 -4.723 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.370 0.031 -4.096 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.585 -1.549 -4.110 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.916 0.538 -2.893 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.126 -1.047 -2.907 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.795 -0.004 -2.303 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.341 0.498 -1.104 1.00 0.00 O ATOM 0 H TYR A 69 -8.895 -2.176 -8.331 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.917 0.238 -7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.308 -1.541 -6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.930 -2.621 -6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.249 0.459 -4.556 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.058 -2.365 -4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.438 1.355 -2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.247 -1.470 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.542 0.004 -0.824 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.759 -2.122 -7.917 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.340 -2.424 -8.062 1.00 0.00 C ATOM 1091 C ILE A 70 -3.693 -1.587 -9.162 1.00 0.00 C ATOM 1092 O ILE A 70 -2.500 -1.290 -9.108 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.125 -3.921 -8.365 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.793 -4.784 -7.285 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.638 -4.240 -8.467 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.197 -4.607 -5.904 1.00 0.00 C ATOM 0 H ILE A 70 -6.380 -2.848 -8.273 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.865 -2.175 -7.113 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.587 -4.151 -9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.855 -4.542 -7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.715 -5.833 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.507 -5.301 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.194 -3.650 -9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.148 -3.997 -7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.721 -5.249 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.141 -4.877 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.299 -3.567 -5.594 1.00 0.00 H new ATOM 1108 N SER A 71 -4.479 -1.210 -10.163 1.00 0.00 N ATOM 1109 CA SER A 71 -3.966 -0.415 -11.273 1.00 0.00 C ATOM 1110 C SER A 71 -4.054 1.080 -10.981 1.00 0.00 C ATOM 1111 O SER A 71 -3.255 1.864 -11.488 1.00 0.00 O ATOM 1112 CB SER A 71 -4.735 -0.739 -12.554 1.00 0.00 C ATOM 1113 OG SER A 71 -4.252 0.026 -13.645 1.00 0.00 O ATOM 0 H SER A 71 -5.470 -1.441 -10.230 1.00 0.00 H new ATOM 0 HA SER A 71 -2.915 -0.672 -11.405 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.640 -1.801 -12.780 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.796 -0.538 -12.406 1.00 0.00 H new ATOM 0 HG SER A 71 -4.759 -0.200 -14.453 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.042 1.480 -10.187 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.216 2.889 -9.852 1.00 0.00 C ATOM 1121 C LEU A 72 -4.456 3.284 -8.584 1.00 0.00 C ATOM 1122 O LEU A 72 -3.564 4.130 -8.623 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.697 3.222 -9.683 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.007 4.715 -9.566 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.819 5.186 -10.760 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.737 5.006 -8.265 1.00 0.00 C ATOM 0 H LEU A 72 -5.729 0.854 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.802 3.462 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.246 2.816 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.070 2.716 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.066 5.265 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.030 6.251 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.253 5.013 -11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.757 4.633 -10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.950 6.073 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.672 4.447 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.113 4.707 -7.423 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.816 2.662 -7.463 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.202 2.976 -6.173 1.00 0.00 C ATOM 1140 C VAL A 73 -2.770 2.456 -6.045 1.00 0.00 C ATOM 1141 O VAL A 73 -1.837 3.241 -5.876 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.044 2.413 -5.012 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.438 2.798 -3.670 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.481 2.903 -5.117 1.00 0.00 C ATOM 0 H VAL A 73 -5.531 1.936 -7.421 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.167 4.064 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.044 1.325 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.049 2.390 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.427 2.396 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.403 3.884 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.065 2.498 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.498 3.992 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.911 2.571 -6.062 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.594 1.139 -6.119 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.266 0.542 -5.988 1.00 0.00 C ATOM 1156 C GLU A 74 -0.279 1.176 -6.964 1.00 0.00 C ATOM 1157 O GLU A 74 0.874 1.436 -6.615 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.328 -0.972 -6.211 1.00 0.00 C ATOM 1159 CG GLU A 74 0.017 -1.666 -6.052 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.057 -3.154 -6.331 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.393 -3.916 -5.399 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.223 -3.559 -7.479 1.00 0.00 O ATOM 0 H GLU A 74 -3.348 0.468 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.916 0.733 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.037 -1.406 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.713 -1.168 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.739 -1.209 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.385 -1.508 -5.038 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.739 1.429 -8.183 1.00 0.00 N ATOM 1170 CA LYS A 75 0.105 2.033 -9.207 1.00 0.00 C ATOM 1171 C LYS A 75 0.399 3.493 -8.872 1.00 0.00 C ATOM 1172 O LYS A 75 1.470 4.008 -9.190 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.572 1.934 -10.574 1.00 0.00 C ATOM 1174 CG LYS A 75 0.397 1.976 -11.745 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.333 2.010 -13.081 1.00 0.00 C ATOM 1176 CE LYS A 75 -1.111 3.305 -13.265 1.00 0.00 C ATOM 1177 NZ LYS A 75 -1.899 3.306 -14.529 1.00 0.00 N ATOM 0 H LYS A 75 -1.691 1.226 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 75 1.049 1.489 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.142 1.006 -10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.285 2.752 -10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.036 2.855 -11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.049 1.103 -11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.387 1.900 -13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.016 1.163 -13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.783 3.448 -12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.419 4.147 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.414 4.205 -14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.256 3.195 -15.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.578 2.518 -14.516 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.560 4.154 -8.228 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.400 5.554 -7.844 1.00 0.00 C ATOM 1193 C TYR A 76 0.765 5.713 -6.872 1.00 0.00 C ATOM 1194 O TYR A 76 1.647 6.546 -7.076 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.689 6.084 -7.210 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.596 7.527 -6.760 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.674 8.567 -7.677 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.429 7.846 -5.418 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.587 9.885 -7.271 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.342 9.162 -5.003 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.422 10.177 -5.933 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.334 11.487 -5.523 1.00 0.00 O ATOM 0 H TYR A 76 -1.455 3.743 -7.961 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.186 6.133 -8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.503 5.988 -7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.945 5.461 -6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.805 8.342 -8.725 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.366 7.053 -4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.648 10.682 -7.997 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.212 9.394 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.221 11.518 -4.550 1.00 0.00 H new ATOM 1212 N ILE A 77 0.757 4.907 -5.815 1.00 0.00 N ATOM 1213 CA ILE A 77 1.810 4.952 -4.808 1.00 0.00 C ATOM 1214 C ILE A 77 3.171 4.652 -5.427 1.00 0.00 C ATOM 1215 O ILE A 77 4.174 5.278 -5.085 1.00 0.00 O ATOM 1216 CB ILE A 77 1.546 3.940 -3.674 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.126 4.109 -3.129 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.572 4.110 -2.561 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -0.302 2.993 -2.199 1.00 0.00 C ATOM 0 H ILE A 77 0.031 4.214 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 77 1.811 5.961 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 77 1.642 2.932 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.060 5.059 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.571 4.162 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.372 3.389 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.573 3.943 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.507 5.120 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.318 3.179 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.269 2.043 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.372 2.953 -1.344 1.00 0.00 H new ATOM 1231 N GLU A 78 3.193 3.688 -6.343 1.00 0.00 N ATOM 1232 CA GLU A 78 4.427 3.295 -7.014 1.00 0.00 C ATOM 1233 C GLU A 78 5.022 4.455 -7.808 1.00 0.00 C ATOM 1234 O GLU A 78 6.200 4.775 -7.666 1.00 0.00 O ATOM 1235 CB GLU A 78 4.163 2.111 -7.946 1.00 0.00 C ATOM 1236 CG GLU A 78 5.404 1.617 -8.671 1.00 0.00 C ATOM 1237 CD GLU A 78 5.122 0.419 -9.555 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.722 0.623 -10.721 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.297 -0.724 -9.081 1.00 0.00 O ATOM 0 H GLU A 78 2.369 3.164 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 78 5.146 3.003 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.741 1.290 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.413 2.400 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.811 2.425 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.167 1.353 -7.939 1.00 0.00 H new ATOM 1246 N GLU A 79 4.201 5.088 -8.636 1.00 0.00 N ATOM 1247 CA GLU A 79 4.655 6.203 -9.464 1.00 0.00 C ATOM 1248 C GLU A 79 5.167 7.366 -8.616 1.00 0.00 C ATOM 1249 O GLU A 79 6.186 7.976 -8.939 1.00 0.00 O ATOM 1250 CB GLU A 79 3.520 6.678 -10.373 1.00 0.00 C ATOM 1251 CG GLU A 79 3.072 5.630 -11.379 1.00 0.00 C ATOM 1252 CD GLU A 79 1.901 6.094 -12.223 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.748 5.974 -11.757 1.00 0.00 O ATOM 1254 OE2 GLU A 79 2.137 6.577 -13.351 1.00 0.00 O ATOM 0 H GLU A 79 3.216 4.850 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 79 5.485 5.846 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.668 6.967 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.843 7.570 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.908 5.378 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.795 4.719 -10.849 1.00 0.00 H new ATOM 1261 N GLN A 80 4.463 7.661 -7.528 1.00 0.00 N ATOM 1262 CA GLN A 80 4.840 8.761 -6.643 1.00 0.00 C ATOM 1263 C GLN A 80 6.206 8.527 -5.999 1.00 0.00 C ATOM 1264 O GLN A 80 6.956 9.474 -5.759 1.00 0.00 O ATOM 1265 CB GLN A 80 3.779 8.954 -5.559 1.00 0.00 C ATOM 1266 CG GLN A 80 2.455 9.478 -6.092 1.00 0.00 C ATOM 1267 CD GLN A 80 2.573 10.863 -6.701 1.00 0.00 C ATOM 1268 OE1 GLN A 80 1.854 11.202 -7.642 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.478 11.675 -6.165 1.00 0.00 N ATOM 0 H GLN A 80 3.627 7.154 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 80 4.907 9.664 -7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.608 8.002 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.159 9.647 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.072 8.787 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.727 9.503 -5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.053 11.354 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.597 12.619 -6.532 1.00 0.00 H new ATOM 1278 N LEU A 81 6.527 7.268 -5.719 1.00 0.00 N ATOM 1279 CA LEU A 81 7.801 6.931 -5.091 1.00 0.00 C ATOM 1280 C LEU A 81 8.934 6.949 -6.106 1.00 0.00 C ATOM 1281 O LEU A 81 10.047 7.383 -5.809 1.00 0.00 O ATOM 1282 CB LEU A 81 7.718 5.553 -4.431 1.00 0.00 C ATOM 1283 CG LEU A 81 6.917 5.507 -3.128 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.672 4.067 -2.705 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.644 6.270 -2.029 1.00 0.00 C ATOM 0 H LEU A 81 5.926 6.467 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 81 8.009 7.683 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.272 4.854 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.730 5.201 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 81 5.952 5.985 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.101 4.053 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.112 3.549 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.627 3.565 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.061 6.227 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.622 5.820 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.770 7.310 -2.330 1.00 0.00 H new ATOM 1297 N LEU A 82 8.632 6.484 -7.308 1.00 0.00 N ATOM 1298 CA LEU A 82 9.616 6.412 -8.380 1.00 0.00 C ATOM 1299 C LEU A 82 10.019 7.799 -8.869 1.00 0.00 C ATOM 1300 O LEU A 82 11.099 7.973 -9.434 1.00 0.00 O ATOM 1301 CB LEU A 82 9.061 5.577 -9.539 1.00 0.00 C ATOM 1302 CG LEU A 82 8.875 4.070 -9.270 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.920 3.266 -10.026 1.00 0.00 C ATOM 1304 CD2 LEU A 82 8.947 3.736 -7.785 1.00 0.00 C ATOM 0 H LEU A 82 7.705 6.148 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 82 10.512 5.932 -7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.097 5.994 -9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.728 5.692 -10.393 1.00 0.00 H new ATOM 0 HG LEU A 82 7.879 3.803 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.776 2.204 -9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.818 3.451 -11.095 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.916 3.565 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.810 2.664 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.920 4.032 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.162 4.274 -7.253 1.00 0.00 H new ATOM 1316 N GLN A 83 9.149 8.785 -8.654 1.00 0.00 N ATOM 1317 CA GLN A 83 9.434 10.155 -9.071 1.00 0.00 C ATOM 1318 C GLN A 83 10.756 10.638 -8.482 1.00 0.00 C ATOM 1319 O GLN A 83 11.363 11.585 -8.984 1.00 0.00 O ATOM 1320 CB GLN A 83 8.303 11.095 -8.647 1.00 0.00 C ATOM 1321 CG GLN A 83 7.065 10.995 -9.524 1.00 0.00 C ATOM 1322 CD GLN A 83 5.956 11.930 -9.080 1.00 0.00 C ATOM 1323 OE1 GLN A 83 4.775 11.635 -9.256 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.332 13.068 -8.505 1.00 0.00 N ATOM 0 H GLN A 83 8.246 8.661 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 83 9.512 10.164 -10.158 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.026 10.874 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.669 12.122 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.336 11.223 -10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.697 9.969 -9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.323 13.272 -8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.629 13.737 -8.190 1.00 0.00 H new ATOM 1333 N ARG A 84 11.197 9.982 -7.413 1.00 0.00 N ATOM 1334 CA ARG A 84 12.449 10.340 -6.756 1.00 0.00 C ATOM 1335 C ARG A 84 13.433 9.175 -6.793 1.00 0.00 C ATOM 1336 O ARG A 84 14.624 9.347 -6.535 1.00 0.00 O ATOM 1337 CB ARG A 84 12.188 10.763 -5.309 1.00 0.00 C ATOM 1338 CG ARG A 84 11.339 12.017 -5.185 1.00 0.00 C ATOM 1339 CD ARG A 84 11.162 12.427 -3.732 1.00 0.00 C ATOM 1340 NE ARG A 84 12.440 12.713 -3.085 1.00 0.00 N ATOM 1341 CZ ARG A 84 12.576 13.540 -2.053 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.516 14.159 -1.552 1.00 0.00 N ATOM 1343 NH2 ARG A 84 13.774 13.749 -1.522 1.00 0.00 N ATOM 0 H ARG A 84 10.705 9.199 -6.983 1.00 0.00 H new ATOM 0 HA ARG A 84 12.889 11.179 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.693 9.946 -4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.143 10.930 -4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.806 12.831 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.362 11.843 -5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.524 13.309 -3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.651 11.631 -3.190 1.00 0.00 H new ATOM 0 HE ARG A 84 13.275 12.252 -3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.594 14.001 -1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.623 14.793 -0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.592 13.275 -1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.877 14.384 -0.730 1.00 0.00 H new ATOM 1357 N ILE A 85 12.926 7.988 -7.112 1.00 0.00 N ATOM 1358 CA ILE A 85 13.759 6.793 -7.183 1.00 0.00 C ATOM 1359 C ILE A 85 13.431 5.975 -8.434 1.00 0.00 C ATOM 1360 O ILE A 85 12.553 5.113 -8.400 1.00 0.00 O ATOM 1361 CB ILE A 85 13.572 5.902 -5.938 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.660 6.741 -4.661 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.616 4.793 -5.921 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.238 5.997 -3.412 1.00 0.00 C ATOM 0 H ILE A 85 11.941 7.828 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 85 14.795 7.128 -7.227 1.00 0.00 H new ATOM 0 HB ILE A 85 12.583 5.447 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.685 7.090 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.034 7.626 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.472 4.172 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.511 4.180 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.613 5.232 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.327 6.656 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.203 5.672 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.880 5.127 -3.272 1.00 0.00 H new ATOM 1376 N PRO A 86 14.130 6.234 -9.559 1.00 0.00 N ATOM 1377 CA PRO A 86 13.893 5.517 -10.818 1.00 0.00 C ATOM 1378 C PRO A 86 14.426 4.089 -10.788 1.00 0.00 C ATOM 1379 O PRO A 86 14.267 3.336 -11.750 1.00 0.00 O ATOM 1380 CB PRO A 86 14.657 6.352 -11.844 1.00 0.00 C ATOM 1381 CG PRO A 86 15.763 6.973 -11.066 1.00 0.00 C ATOM 1382 CD PRO A 86 15.201 7.243 -9.696 1.00 0.00 C ATOM 0 HA PRO A 86 12.830 5.414 -11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.041 5.732 -12.654 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.016 7.109 -12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.624 6.307 -11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.103 7.895 -11.538 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.960 7.131 -8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.810 8.257 -9.615 1.00 0.00 H new ATOM 1390 N GLU A 87 15.060 3.722 -9.682 1.00 0.00 N ATOM 1391 CA GLU A 87 15.617 2.383 -9.527 1.00 0.00 C ATOM 1392 C GLU A 87 14.874 1.613 -8.440 1.00 0.00 C ATOM 1393 O GLU A 87 15.281 0.518 -8.050 1.00 0.00 O ATOM 1394 CB GLU A 87 17.106 2.461 -9.185 1.00 0.00 C ATOM 1395 CG GLU A 87 17.914 3.295 -10.166 1.00 0.00 C ATOM 1396 CD GLU A 87 19.392 3.322 -9.831 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.779 4.072 -8.909 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.165 2.594 -10.490 1.00 0.00 O ATOM 0 H GLU A 87 15.202 4.333 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 87 15.498 1.854 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.219 2.881 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.517 1.452 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.781 2.896 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.529 4.315 -10.174 1.00 0.00 H new ATOM 1405 N PHE A 88 13.780 2.196 -7.960 1.00 0.00 N ATOM 1406 CA PHE A 88 12.974 1.578 -6.915 1.00 0.00 C ATOM 1407 C PHE A 88 12.369 0.262 -7.393 1.00 0.00 C ATOM 1408 O PHE A 88 12.058 0.100 -8.572 1.00 0.00 O ATOM 1409 CB PHE A 88 11.854 2.525 -6.484 1.00 0.00 C ATOM 1410 CG PHE A 88 11.170 2.112 -5.212 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.754 2.369 -3.981 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.942 1.470 -5.245 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.127 1.993 -2.809 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.310 1.091 -4.075 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.904 1.354 -2.856 1.00 0.00 C ATOM 0 H PHE A 88 13.431 3.099 -8.280 1.00 0.00 H new ATOM 0 HA PHE A 88 13.627 1.373 -6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.266 3.526 -6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.113 2.584 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.710 2.869 -3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.473 1.263 -6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.593 2.199 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.354 0.590 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.412 1.060 -1.940 1.00 0.00 H new ATOM 1425 N ASN A 89 12.204 -0.672 -6.463 1.00 0.00 N ATOM 1426 CA ASN A 89 11.625 -1.972 -6.775 1.00 0.00 C ATOM 1427 C ASN A 89 10.594 -2.358 -5.721 1.00 0.00 C ATOM 1428 O ASN A 89 10.914 -3.026 -4.737 1.00 0.00 O ATOM 1429 CB ASN A 89 12.718 -3.040 -6.862 1.00 0.00 C ATOM 1430 CG ASN A 89 12.180 -4.392 -7.291 1.00 0.00 C ATOM 1431 OD1 ASN A 89 12.700 -5.433 -6.893 1.00 0.00 O ATOM 1432 ND2 ASN A 89 11.135 -4.381 -8.113 1.00 0.00 N ATOM 0 H ASN A 89 12.464 -0.552 -5.484 1.00 0.00 H new ATOM 0 HA ASN A 89 11.129 -1.905 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.482 -2.716 -7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.203 -3.138 -5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.733 -5.260 -8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.735 -3.493 -8.418 1.00 0.00 H new ATOM 1439 N MET A 90 9.355 -1.921 -5.931 1.00 0.00 N ATOM 1440 CA MET A 90 8.270 -2.203 -4.996 1.00 0.00 C ATOM 1441 C MET A 90 8.049 -3.704 -4.843 1.00 0.00 C ATOM 1442 O MET A 90 7.466 -4.156 -3.857 1.00 0.00 O ATOM 1443 CB MET A 90 6.980 -1.530 -5.466 1.00 0.00 C ATOM 1444 CG MET A 90 5.901 -1.463 -4.395 1.00 0.00 C ATOM 1445 SD MET A 90 4.462 -0.513 -4.921 1.00 0.00 S ATOM 1446 CE MET A 90 3.533 -0.428 -3.391 1.00 0.00 C ATOM 0 H MET A 90 9.077 -1.369 -6.742 1.00 0.00 H new ATOM 0 HA MET A 90 8.552 -1.800 -4.023 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.210 -0.519 -5.802 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.591 -2.072 -6.328 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.589 -2.474 -4.135 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.317 -1.016 -3.492 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.612 0.131 -3.555 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.290 -1.437 -3.056 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.131 0.073 -2.630 1.00 0.00 H new ATOM 1456 N ALA A 91 8.513 -4.473 -5.822 1.00 0.00 N ATOM 1457 CA ALA A 91 8.366 -5.922 -5.786 1.00 0.00 C ATOM 1458 C ALA A 91 9.178 -6.521 -4.642 1.00 0.00 C ATOM 1459 O ALA A 91 8.640 -7.215 -3.781 1.00 0.00 O ATOM 1460 CB ALA A 91 8.788 -6.531 -7.113 1.00 0.00 C ATOM 0 H ALA A 91 8.993 -4.117 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 91 7.315 -6.154 -5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.672 -7.614 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.164 -6.131 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.831 -6.285 -7.311 1.00 0.00 H new ATOM 1466 N ALA A 92 10.479 -6.241 -4.640 1.00 0.00 N ATOM 1467 CA ALA A 92 11.368 -6.747 -3.602 1.00 0.00 C ATOM 1468 C ALA A 92 11.114 -6.043 -2.274 1.00 0.00 C ATOM 1469 O ALA A 92 11.378 -6.596 -1.206 1.00 0.00 O ATOM 1470 CB ALA A 92 12.820 -6.578 -4.021 1.00 0.00 C ATOM 0 H ALA A 92 10.939 -5.667 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 92 11.162 -7.809 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.472 -6.960 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.999 -7.131 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.031 -5.521 -4.185 1.00 0.00 H new ATOM 1476 N PHE A 93 10.603 -4.819 -2.349 1.00 0.00 N ATOM 1477 CA PHE A 93 10.313 -4.040 -1.153 1.00 0.00 C ATOM 1478 C PHE A 93 9.165 -4.659 -0.363 1.00 0.00 C ATOM 1479 O PHE A 93 9.235 -4.775 0.860 1.00 0.00 O ATOM 1480 CB PHE A 93 9.976 -2.593 -1.526 1.00 0.00 C ATOM 1481 CG PHE A 93 9.566 -1.748 -0.352 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.508 -1.314 0.568 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.240 -1.391 -0.167 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.134 -0.540 1.650 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.860 -0.617 0.913 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.808 -0.191 1.823 1.00 0.00 C ATOM 0 H PHE A 93 10.382 -4.346 -3.225 1.00 0.00 H new ATOM 0 HA PHE A 93 11.203 -4.044 -0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.844 -2.139 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.171 -2.594 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.546 -1.584 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.495 -1.722 -0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.877 -0.208 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.823 -0.346 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.514 0.414 2.668 1.00 0.00 H new ATOM 1496 N THR A 94 8.113 -5.060 -1.070 1.00 0.00 N ATOM 1497 CA THR A 94 6.951 -5.667 -0.431 1.00 0.00 C ATOM 1498 C THR A 94 7.291 -7.033 0.157 1.00 0.00 C ATOM 1499 O THR A 94 6.976 -7.315 1.313 1.00 0.00 O ATOM 1500 CB THR A 94 5.777 -5.822 -1.417 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.221 -6.476 -2.612 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.182 -4.466 -1.766 1.00 0.00 C ATOM 0 H THR A 94 8.041 -4.976 -2.084 1.00 0.00 H new ATOM 0 HA THR A 94 6.652 -4.994 0.373 1.00 0.00 H new ATOM 0 HB THR A 94 5.007 -6.427 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.626 -5.817 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.355 -4.600 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.817 -3.984 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.947 -3.841 -2.226 1.00 0.00 H new ATOM 1510 N THR A 95 7.934 -7.878 -0.644 1.00 0.00 N ATOM 1511 CA THR A 95 8.315 -9.214 -0.200 1.00 0.00 C ATOM 1512 C THR A 95 9.183 -9.144 1.054 1.00 0.00 C ATOM 1513 O THR A 95 9.046 -9.964 1.962 1.00 0.00 O ATOM 1514 CB THR A 95 9.078 -9.977 -1.300 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.312 -9.987 -2.509 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.365 -11.406 -0.868 1.00 0.00 C ATOM 0 H THR A 95 8.202 -7.661 -1.604 1.00 0.00 H new ATOM 0 HA THR A 95 7.393 -9.750 0.026 1.00 0.00 H new ATOM 0 HB THR A 95 10.026 -9.468 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.399 -9.121 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.904 -11.924 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.971 -11.397 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.425 -11.922 -0.671 1.00 0.00 H new ATOM 1524 N THR A 96 10.075 -8.160 1.093 1.00 0.00 N ATOM 1525 CA THR A 96 10.964 -7.975 2.234 1.00 0.00 C ATOM 1526 C THR A 96 10.219 -7.344 3.407 1.00 0.00 C ATOM 1527 O THR A 96 10.525 -7.614 4.569 1.00 0.00 O ATOM 1528 CB THR A 96 12.174 -7.093 1.861 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.916 -7.705 0.800 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.086 -6.877 3.060 1.00 0.00 C ATOM 0 H THR A 96 10.202 -7.477 0.346 1.00 0.00 H new ATOM 0 HA THR A 96 11.324 -8.961 2.528 1.00 0.00 H new ATOM 0 HB THR A 96 11.797 -6.124 1.534 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.531 -7.443 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.930 -6.252 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.529 -6.384 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.454 -7.840 3.416 1.00 0.00 H new ATOM 1538 N LEU A 97 9.233 -6.509 3.091 1.00 0.00 N ATOM 1539 CA LEU A 97 8.436 -5.836 4.112 1.00 0.00 C ATOM 1540 C LEU A 97 7.688 -6.848 4.975 1.00 0.00 C ATOM 1541 O LEU A 97 7.522 -6.646 6.179 1.00 0.00 O ATOM 1542 CB LEU A 97 7.442 -4.868 3.462 1.00 0.00 C ATOM 1543 CG LEU A 97 7.296 -3.512 4.161 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.350 -2.612 3.384 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.804 -3.693 5.590 1.00 0.00 C ATOM 0 H LEU A 97 8.966 -6.282 2.133 1.00 0.00 H new ATOM 0 HA LEU A 97 9.115 -5.272 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.750 -4.695 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.464 -5.347 3.427 1.00 0.00 H new ATOM 0 HG LEU A 97 8.277 -3.038 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.258 -1.653 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.743 -2.452 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.370 -3.084 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.707 -2.718 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.834 -4.190 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.518 -4.301 6.146 1.00 0.00 H new ATOM 1557 N GLN A 98 7.238 -7.935 4.349 1.00 0.00 N ATOM 1558 CA GLN A 98 6.496 -8.978 5.053 1.00 0.00 C ATOM 1559 C GLN A 98 7.228 -9.428 6.313 1.00 0.00 C ATOM 1560 O GLN A 98 6.610 -9.903 7.266 1.00 0.00 O ATOM 1561 CB GLN A 98 6.262 -10.177 4.130 1.00 0.00 C ATOM 1562 CG GLN A 98 5.422 -9.849 2.907 1.00 0.00 C ATOM 1563 CD GLN A 98 5.245 -11.040 1.985 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.231 -12.188 2.428 1.00 0.00 O ATOM 1565 NE2 GLN A 98 5.110 -10.771 0.691 1.00 0.00 N ATOM 0 H GLN A 98 7.375 -8.115 3.354 1.00 0.00 H new ATOM 0 HA GLN A 98 5.535 -8.559 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.226 -10.567 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.772 -10.970 4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.443 -9.494 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.892 -9.034 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.127 -9.804 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.989 -11.531 0.022 1.00 0.00 H new ATOM 1574 N HIS A 99 8.546 -9.280 6.313 1.00 0.00 N ATOM 1575 CA HIS A 99 9.353 -9.658 7.465 1.00 0.00 C ATOM 1576 C HIS A 99 9.624 -8.439 8.340 1.00 0.00 C ATOM 1577 O HIS A 99 9.640 -8.528 9.570 1.00 0.00 O ATOM 1578 CB HIS A 99 10.674 -10.282 7.009 1.00 0.00 C ATOM 1579 CG HIS A 99 10.499 -11.486 6.138 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.484 -12.776 6.629 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.334 -11.594 4.799 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.321 -13.623 5.628 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.226 -12.931 4.508 1.00 0.00 N ATOM 0 H HIS A 99 9.078 -8.902 5.529 1.00 0.00 H new ATOM 0 HA HIS A 99 8.802 -10.396 8.048 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.252 -9.533 6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.257 -10.561 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.295 -10.779 4.091 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.274 -14.699 5.712 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.094 -13.326 3.577 1.00 0.00 H new ATOM 1592 N HIS A 100 9.814 -7.294 7.692 1.00 0.00 N ATOM 1593 CA HIS A 100 10.087 -6.050 8.397 1.00 0.00 C ATOM 1594 C HIS A 100 8.862 -5.564 9.162 1.00 0.00 C ATOM 1595 O HIS A 100 8.920 -4.554 9.862 1.00 0.00 O ATOM 1596 CB HIS A 100 10.553 -4.975 7.416 1.00 0.00 C ATOM 1597 CG HIS A 100 11.979 -5.142 6.991 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.938 -4.170 7.175 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.609 -6.181 6.392 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.097 -4.602 6.708 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.923 -5.820 6.229 1.00 0.00 N ATOM 0 H HIS A 100 9.783 -7.204 6.676 1.00 0.00 H new ATOM 0 HA HIS A 100 10.881 -6.244 9.119 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.913 -4.995 6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.430 -3.995 7.876 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.779 -3.259 7.605 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.161 -7.118 6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.027 -4.053 6.717 1.00 0.00 H new ATOM 1610 N LYS A 101 7.750 -6.281 9.022 1.00 0.00 N ATOM 1611 CA LYS A 101 6.525 -5.915 9.720 1.00 0.00 C ATOM 1612 C LYS A 101 6.736 -5.990 11.227 1.00 0.00 C ATOM 1613 O LYS A 101 5.996 -5.379 12.000 1.00 0.00 O ATOM 1614 CB LYS A 101 5.369 -6.831 9.312 1.00 0.00 C ATOM 1615 CG LYS A 101 4.907 -6.636 7.876 1.00 0.00 C ATOM 1616 CD LYS A 101 3.443 -7.017 7.701 1.00 0.00 C ATOM 1617 CE LYS A 101 3.210 -8.501 7.941 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.854 -9.341 6.895 1.00 0.00 N ATOM 0 H LYS A 101 7.674 -7.112 8.436 1.00 0.00 H new ATOM 0 HA LYS A 101 6.270 -4.892 9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.675 -7.868 9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.527 -6.657 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.050 -5.595 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.523 -7.240 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.832 -6.437 8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.118 -6.757 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.602 -8.776 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.139 -8.702 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.423 -10.288 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.718 -8.900 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.871 -9.424 7.094 1.00 0.00 H new ATOM 1632 N ASP A 102 7.750 -6.747 11.637 1.00 0.00 N ATOM 1633 CA ASP A 102 8.066 -6.901 13.053 1.00 0.00 C ATOM 1634 C ASP A 102 8.838 -5.691 13.569 1.00 0.00 C ATOM 1635 O ASP A 102 8.894 -5.444 14.774 1.00 0.00 O ATOM 1636 CB ASP A 102 8.880 -8.177 13.280 1.00 0.00 C ATOM 1637 CG ASP A 102 9.290 -8.353 14.729 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.503 -8.939 15.502 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.398 -7.904 15.092 1.00 0.00 O ATOM 0 H ASP A 102 8.366 -7.263 11.009 1.00 0.00 H new ATOM 0 HA ASP A 102 7.129 -6.975 13.605 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.293 -9.040 12.964 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.772 -8.152 12.654 1.00 0.00 H new ATOM 1644 N GLU A 103 9.430 -4.938 12.647 1.00 0.00 N ATOM 1645 CA GLU A 103 10.206 -3.756 13.005 1.00 0.00 C ATOM 1646 C GLU A 103 9.377 -2.484 12.848 1.00 0.00 C ATOM 1647 O GLU A 103 9.142 -1.762 13.818 1.00 0.00 O ATOM 1648 CB GLU A 103 11.464 -3.670 12.140 1.00 0.00 C ATOM 1649 CG GLU A 103 12.387 -4.868 12.293 1.00 0.00 C ATOM 1650 CD GLU A 103 13.609 -4.779 11.400 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.599 -4.140 11.812 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.575 -5.349 10.290 1.00 0.00 O ATOM 0 H GLU A 103 9.387 -5.126 11.645 1.00 0.00 H new ATOM 0 HA GLU A 103 10.495 -3.847 14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.171 -3.578 11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.012 -2.764 12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.706 -4.946 13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.836 -5.779 12.059 1.00 0.00 H new ATOM 1659 N VAL A 104 8.936 -2.215 11.621 1.00 0.00 N ATOM 1660 CA VAL A 104 8.137 -1.027 11.340 1.00 0.00 C ATOM 1661 C VAL A 104 6.762 -1.126 11.990 1.00 0.00 C ATOM 1662 O VAL A 104 6.458 -2.105 12.673 1.00 0.00 O ATOM 1663 CB VAL A 104 7.968 -0.807 9.824 1.00 0.00 C ATOM 1664 CG1 VAL A 104 9.315 -0.875 9.120 1.00 0.00 C ATOM 1665 CG2 VAL A 104 6.995 -1.819 9.233 1.00 0.00 C ATOM 0 H VAL A 104 9.119 -2.803 10.808 1.00 0.00 H new ATOM 0 HA VAL A 104 8.673 -0.176 11.761 1.00 0.00 H new ATOM 0 HB VAL A 104 7.552 0.188 9.669 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.175 -0.717 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.973 -0.102 9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.764 -1.854 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.893 -1.643 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.373 -2.828 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.022 -1.712 9.713 1.00 0.00 H new ATOM 1675 N ALA A 105 5.934 -0.110 11.772 1.00 0.00 N ATOM 1676 CA ALA A 105 4.592 -0.090 12.337 1.00 0.00 C ATOM 1677 C ALA A 105 3.637 -0.939 11.504 1.00 0.00 C ATOM 1678 O ALA A 105 3.251 -0.555 10.399 1.00 0.00 O ATOM 1679 CB ALA A 105 4.081 1.340 12.441 1.00 0.00 C ATOM 0 H ALA A 105 6.169 0.708 11.209 1.00 0.00 H new ATOM 0 HA ALA A 105 4.639 -0.517 13.339 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.077 1.338 12.865 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.745 1.918 13.084 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.055 1.790 11.449 1.00 0.00 H new ATOM 1685 N GLY A 106 3.261 -2.094 12.045 1.00 0.00 N ATOM 1686 CA GLY A 106 2.353 -2.980 11.342 1.00 0.00 C ATOM 1687 C GLY A 106 0.999 -2.346 11.097 1.00 0.00 C ATOM 1688 O GLY A 106 0.334 -2.649 10.108 1.00 0.00 O ATOM 0 H GLY A 106 3.569 -2.431 12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.795 -3.266 10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.223 -3.895 11.920 1.00 0.00 H new ATOM 1692 N ASP A 107 0.593 -1.464 12.005 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.692 -0.783 11.892 1.00 0.00 C ATOM 1694 C ASP A 107 -0.750 0.093 10.643 1.00 0.00 C ATOM 1695 O ASP A 107 -1.783 0.162 9.976 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.951 0.070 13.136 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.016 -0.760 14.403 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.091 -1.329 14.685 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.009 -0.842 15.113 1.00 0.00 O ATOM 0 H ASP A 107 1.136 -1.204 12.828 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.466 -1.546 11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.161 0.815 13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.888 0.613 13.012 1.00 0.00 H new ATOM 1704 N ILE A 108 0.357 0.761 10.328 1.00 0.00 N ATOM 1705 CA ILE A 108 0.406 1.633 9.158 1.00 0.00 C ATOM 1706 C ILE A 108 0.401 0.826 7.865 1.00 0.00 C ATOM 1707 O ILE A 108 -0.397 1.089 6.963 1.00 0.00 O ATOM 1708 CB ILE A 108 1.653 2.539 9.178 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.691 3.361 10.469 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.662 3.451 7.956 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.943 4.197 10.624 1.00 0.00 C ATOM 0 H ILE A 108 1.225 0.716 10.862 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.487 2.257 9.197 1.00 0.00 H new ATOM 0 HB ILE A 108 2.544 1.912 9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.821 4.017 10.496 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.608 2.686 11.321 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.548 4.086 7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.676 2.845 7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.768 4.075 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.897 4.751 11.562 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.817 3.546 10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.018 4.898 9.792 1.00 0.00 H new ATOM 1723 N PHE A 109 1.284 -0.164 7.779 1.00 0.00 N ATOM 1724 CA PHE A 109 1.368 -0.999 6.588 1.00 0.00 C ATOM 1725 C PHE A 109 0.096 -1.817 6.408 1.00 0.00 C ATOM 1726 O PHE A 109 -0.274 -2.151 5.287 1.00 0.00 O ATOM 1727 CB PHE A 109 2.584 -1.927 6.641 1.00 0.00 C ATOM 1728 CG PHE A 109 2.720 -2.803 5.423 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.636 -2.261 4.147 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.920 -4.168 5.553 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.751 -3.064 3.026 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.037 -4.975 4.436 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.952 -4.423 3.172 1.00 0.00 C ATOM 0 H PHE A 109 1.947 -0.406 8.515 1.00 0.00 H new ATOM 0 HA PHE A 109 1.483 -0.334 5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.487 -1.326 6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.512 -2.558 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.479 -1.199 4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.985 -4.607 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.684 -2.630 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.195 -6.037 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.043 -5.053 2.300 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.569 -2.134 7.518 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.797 -2.925 7.475 1.00 0.00 C ATOM 1745 C ASP A 110 -2.764 -2.372 6.434 1.00 0.00 C ATOM 1746 O ASP A 110 -3.537 -3.118 5.835 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.471 -2.945 8.849 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.712 -3.815 8.869 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.793 -3.317 8.490 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.603 -4.996 9.264 1.00 0.00 O ATOM 0 H ASP A 110 -0.279 -1.856 8.455 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.529 -3.944 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.763 -3.309 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.739 -1.928 9.135 1.00 0.00 H new ATOM 1755 N MET A 111 -2.714 -1.062 6.222 1.00 0.00 N ATOM 1756 CA MET A 111 -3.576 -0.421 5.237 1.00 0.00 C ATOM 1757 C MET A 111 -3.104 -0.773 3.831 1.00 0.00 C ATOM 1758 O MET A 111 -3.891 -1.201 2.984 1.00 0.00 O ATOM 1759 CB MET A 111 -3.578 1.097 5.442 1.00 0.00 C ATOM 1760 CG MET A 111 -4.397 1.857 4.410 1.00 0.00 C ATOM 1761 SD MET A 111 -3.448 2.269 2.933 1.00 0.00 S ATOM 1762 CE MET A 111 -2.184 3.336 3.624 1.00 0.00 C ATOM 0 H MET A 111 -2.089 -0.426 6.717 1.00 0.00 H new ATOM 0 HA MET A 111 -4.596 -0.784 5.365 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.967 1.319 6.436 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.550 1.459 5.414 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.262 1.257 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.779 2.774 4.859 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.652 3.840 2.817 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.649 4.079 4.271 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.481 2.739 4.204 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.807 -0.600 3.597 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.209 -0.904 2.303 1.00 0.00 C ATOM 1774 C LEU A 112 -1.265 -2.404 2.030 1.00 0.00 C ATOM 1775 O LEU A 112 -1.236 -2.840 0.883 1.00 0.00 O ATOM 1776 CB LEU A 112 0.243 -0.422 2.262 1.00 0.00 C ATOM 1777 CG LEU A 112 0.431 1.096 2.273 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.906 1.449 2.402 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.152 1.716 1.012 1.00 0.00 C ATOM 0 H LEU A 112 -1.147 -0.249 4.291 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.777 -0.384 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.772 -0.843 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.716 -0.823 1.366 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.100 1.501 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.022 2.533 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.299 1.037 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.455 1.030 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.009 2.796 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.352 1.304 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.217 1.493 0.956 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.358 -3.181 3.103 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.405 -4.636 3.012 1.00 0.00 C ATOM 1793 C LEU A 113 -2.469 -5.093 2.019 1.00 0.00 C ATOM 1794 O LEU A 113 -2.364 -6.175 1.442 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.673 -5.241 4.393 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.510 -6.760 4.484 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.098 -7.175 4.094 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -1.838 -7.242 5.890 1.00 0.00 C ATOM 0 H LEU A 113 -1.403 -2.822 4.057 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.437 -4.985 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.999 -4.776 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.688 -4.982 4.694 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.206 -7.224 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.004 -8.259 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.104 -6.860 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.619 -6.704 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.718 -8.324 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.164 -6.768 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.867 -6.979 6.134 1.00 0.00 H new ATOM 1810 N THR A 114 -3.497 -4.267 1.833 1.00 0.00 N ATOM 1811 CA THR A 114 -4.584 -4.587 0.910 1.00 0.00 C ATOM 1812 C THR A 114 -4.085 -4.833 -0.519 1.00 0.00 C ATOM 1813 O THR A 114 -4.884 -5.082 -1.422 1.00 0.00 O ATOM 1814 CB THR A 114 -5.639 -3.465 0.878 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.035 -2.236 0.458 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.275 -3.280 2.247 1.00 0.00 C ATOM 0 H THR A 114 -3.600 -3.371 2.309 1.00 0.00 H new ATOM 0 HA THR A 114 -5.033 -5.507 1.285 1.00 0.00 H new ATOM 0 HB THR A 114 -6.417 -3.749 0.169 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.618 -1.797 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.016 -2.482 2.199 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.759 -4.208 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.506 -3.017 2.973 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.768 -4.764 -0.725 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.193 -4.991 -2.047 1.00 0.00 C ATOM 1826 C PHE A 115 -2.438 -6.426 -2.505 1.00 0.00 C ATOM 1827 O PHE A 115 -2.532 -6.697 -3.703 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.685 -4.704 -2.044 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.331 -3.242 -1.952 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.081 -2.286 -2.622 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.756 -2.826 -1.198 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.755 -0.946 -2.540 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.086 -1.486 -1.113 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.330 -0.546 -1.784 1.00 0.00 C ATOM 0 H PHE A 115 -2.086 -4.554 0.003 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.682 -4.308 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.229 -5.230 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.247 -5.115 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.930 -2.593 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.351 -3.557 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.347 -0.212 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.935 -1.175 -0.522 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.586 0.501 -1.718 1.00 0.00 H new ATOM 1844 N THR A 116 -2.543 -7.344 -1.547 1.00 0.00 N ATOM 1845 CA THR A 116 -2.777 -8.749 -1.859 1.00 0.00 C ATOM 1846 C THR A 116 -3.739 -9.393 -0.862 1.00 0.00 C ATOM 1847 O THR A 116 -4.445 -10.344 -1.196 1.00 0.00 O ATOM 1848 CB THR A 116 -1.461 -9.551 -1.870 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.755 -9.354 -0.638 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.579 -9.134 -3.038 1.00 0.00 C ATOM 0 H THR A 116 -2.470 -7.139 -0.550 1.00 0.00 H new ATOM 0 HA THR A 116 -3.222 -8.774 -2.854 1.00 0.00 H new ATOM 0 HB THR A 116 -1.708 -10.607 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.079 -9.869 -0.653 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.343 -9.715 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.106 -9.315 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.341 -8.074 -2.954 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.764 -8.869 0.361 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.641 -9.400 1.402 1.00 0.00 C ATOM 1860 C ASP A 117 -6.093 -8.995 1.164 1.00 0.00 C ATOM 1861 O ASP A 117 -6.572 -7.998 1.707 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.180 -8.921 2.780 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.887 -9.580 3.218 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.830 -9.258 2.637 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.932 -10.418 4.144 1.00 0.00 O ATOM 0 H ASP A 117 -3.189 -8.080 0.655 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.583 -10.488 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.045 -7.840 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.958 -9.131 3.514 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.791 -9.782 0.346 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.189 -9.514 0.030 1.00 0.00 C ATOM 1872 C PHE A 118 -9.045 -9.537 1.293 1.00 0.00 C ATOM 1873 O PHE A 118 -10.096 -8.900 1.354 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.711 -10.545 -0.976 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.097 -10.250 -1.479 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.288 -9.426 -2.576 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.206 -10.797 -0.855 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.560 -9.152 -3.042 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.480 -10.528 -1.316 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.658 -9.705 -2.412 1.00 0.00 C ATOM 0 H PHE A 118 -6.408 -10.611 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.254 -8.520 -0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.028 -10.590 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.705 -11.530 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.433 -8.993 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.073 -11.441 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.695 -8.507 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.337 -10.961 -0.820 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.653 -9.495 -2.775 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.587 -10.275 2.300 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.311 -10.378 3.562 1.00 0.00 C ATOM 1892 C LEU A 119 -9.392 -9.019 4.251 1.00 0.00 C ATOM 1893 O LEU A 119 -10.430 -8.657 4.807 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.640 -11.401 4.487 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.865 -12.874 4.118 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.347 -13.221 4.157 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.280 -13.186 2.747 1.00 0.00 C ATOM 0 H LEU A 119 -7.719 -10.810 2.266 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.324 -10.716 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.567 -11.207 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.003 -11.239 5.502 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.349 -13.488 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.482 -14.270 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.735 -13.047 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.886 -12.595 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.452 -14.236 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.760 -12.559 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.208 -12.987 2.755 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.294 -8.269 4.212 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.249 -6.948 4.830 1.00 0.00 C ATOM 1911 C ALA A 120 -8.982 -5.924 3.970 1.00 0.00 C ATOM 1912 O ALA A 120 -9.509 -4.935 4.477 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.809 -6.514 5.060 1.00 0.00 C ATOM 0 H ALA A 120 -7.425 -8.553 3.760 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.751 -7.007 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.796 -5.527 5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.314 -7.229 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.284 -6.475 4.106 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.006 -6.174 2.665 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.671 -5.280 1.721 1.00 0.00 C ATOM 1921 C PHE A 121 -11.173 -5.226 1.995 1.00 0.00 C ATOM 1922 O PHE A 121 -11.744 -4.150 2.204 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.409 -5.762 0.290 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.672 -4.729 -0.771 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.124 -3.459 -0.677 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.458 -5.035 -1.872 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.355 -2.515 -1.660 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.695 -4.094 -2.855 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.142 -2.833 -2.750 1.00 0.00 C ATOM 0 H PHE A 121 -8.572 -6.991 2.235 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.268 -4.274 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.372 -6.088 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.032 -6.634 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.510 -3.204 0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.890 -6.021 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.921 -1.530 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.312 -4.344 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.324 -2.097 -3.519 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.805 -6.395 2.010 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.238 -6.488 2.260 1.00 0.00 C ATOM 1941 C LYS A 122 -13.569 -6.041 3.680 1.00 0.00 C ATOM 1942 O LYS A 122 -14.515 -5.283 3.898 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.724 -7.921 2.034 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.233 -8.072 2.125 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.661 -9.523 1.982 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.174 -9.653 1.963 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.777 -8.930 0.808 1.00 0.00 N ATOM 0 H LYS A 122 -11.346 -7.292 1.852 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.750 -5.826 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.392 -8.258 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.257 -8.575 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.581 -7.682 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.706 -7.474 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.247 -9.938 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.254 -10.107 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.448 -10.707 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.584 -9.259 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.378 -8.157 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.021 -8.538 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.354 -9.590 0.248 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.784 -6.516 4.644 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.990 -6.165 6.045 1.00 0.00 C ATOM 1963 C GLU A 123 -12.855 -4.659 6.250 1.00 0.00 C ATOM 1964 O GLU A 123 -13.461 -4.091 7.158 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.985 -6.902 6.934 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.218 -6.690 8.421 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.199 -7.413 9.279 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.372 -8.629 9.507 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.230 -6.764 9.725 1.00 0.00 O ATOM 0 H GLU A 123 -11.999 -7.146 4.479 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.999 -6.467 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.033 -7.969 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.978 -6.570 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.182 -5.623 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.218 -7.036 8.681 1.00 0.00 H new ATOM 1976 N MET A 124 -12.056 -4.020 5.401 1.00 0.00 N ATOM 1977 CA MET A 124 -11.844 -2.581 5.491 1.00 0.00 C ATOM 1978 C MET A 124 -13.112 -1.823 5.113 1.00 0.00 C ATOM 1979 O MET A 124 -13.509 -0.880 5.798 1.00 0.00 O ATOM 1980 CB MET A 124 -10.690 -2.151 4.583 1.00 0.00 C ATOM 1981 CG MET A 124 -10.402 -0.659 4.628 1.00 0.00 C ATOM 1982 SD MET A 124 -8.979 -0.193 3.621 1.00 0.00 S ATOM 1983 CE MET A 124 -9.539 -0.682 1.992 1.00 0.00 C ATOM 0 H MET A 124 -11.546 -4.476 4.644 1.00 0.00 H new ATOM 0 HA MET A 124 -11.589 -2.342 6.523 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.790 -2.695 4.871 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.920 -2.437 3.557 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.280 -0.113 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.225 -0.358 5.661 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.922 -0.198 1.235 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.458 -1.764 1.889 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.579 -0.382 1.859 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.742 -2.240 4.020 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.965 -1.592 3.552 1.00 0.00 C ATOM 1995 C PHE A 125 -16.117 -1.793 4.534 1.00 0.00 C ATOM 1996 O PHE A 125 -16.850 -0.851 4.839 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.355 -2.121 2.173 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.369 -1.763 1.100 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.095 -0.436 0.806 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.713 -2.752 0.389 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.185 -0.103 -0.178 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.803 -2.426 -0.595 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.537 -1.100 -0.880 1.00 0.00 C ATOM 0 H PHE A 125 -13.429 -3.020 3.443 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.765 -0.523 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.451 -3.206 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.334 -1.726 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.599 0.347 1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.916 -3.790 0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.981 0.934 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.298 -3.208 -1.143 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.824 -0.844 -1.650 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.279 -3.020 5.022 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.349 -3.328 5.967 1.00 0.00 C ATOM 2015 C LEU A 126 -17.246 -2.452 7.211 1.00 0.00 C ATOM 2016 O LEU A 126 -18.213 -1.795 7.600 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.309 -4.807 6.361 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.147 -5.739 5.478 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.603 -5.775 4.059 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.185 -7.139 6.071 1.00 0.00 C ATOM 0 H LEU A 126 -15.686 -3.814 4.780 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.300 -3.120 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.273 -5.145 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.653 -4.902 7.391 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.165 -5.350 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.214 -6.443 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.630 -4.772 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.575 -6.136 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.784 -7.788 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.171 -7.533 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.628 -7.101 7.066 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.071 -2.447 7.834 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.843 -1.646 9.032 1.00 0.00 C ATOM 2034 C ASP A 127 -15.976 -0.158 8.719 1.00 0.00 C ATOM 2035 O ASP A 127 -16.421 0.627 9.558 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.456 -1.937 9.611 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.130 -1.056 10.803 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.476 -1.441 11.939 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.526 0.018 10.598 1.00 0.00 O ATOM 0 H ASP A 127 -15.262 -2.989 7.529 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.598 -1.915 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.403 -2.984 9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.704 -1.789 8.836 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.590 0.221 7.504 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.669 1.612 7.074 1.00 0.00 C ATOM 2046 C TYR A 128 -17.111 2.107 7.108 1.00 0.00 C ATOM 2047 O TYR A 128 -17.393 3.198 7.604 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.098 1.765 5.662 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.102 3.189 5.153 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.103 4.081 5.522 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.106 3.642 4.305 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.103 5.383 5.060 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.113 4.942 3.839 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.110 5.809 4.220 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.113 7.105 3.758 1.00 0.00 O ATOM 0 H TYR A 128 -15.219 -0.417 6.800 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.078 2.215 7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.075 1.388 5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.675 1.143 4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.313 3.751 6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.893 2.966 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.318 6.064 5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.900 5.278 3.180 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.890 7.243 3.176 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.021 1.294 6.581 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.437 1.646 6.549 1.00 0.00 C ATOM 2067 C ARG A 129 -19.995 1.773 7.962 1.00 0.00 C ATOM 2068 O ARG A 129 -20.778 2.680 8.251 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.228 0.594 5.768 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.709 0.914 5.645 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.457 -0.185 4.908 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.373 -1.467 5.603 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.362 -2.355 5.634 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -24.510 -2.099 5.021 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -23.205 -3.502 6.280 1.00 0.00 N ATOM 0 H ARG A 129 -17.803 0.386 6.170 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.537 2.610 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.801 0.498 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.113 -0.373 6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.138 1.044 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.835 1.859 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -23.503 0.100 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.048 -0.290 3.903 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.507 -1.694 6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -24.637 -1.218 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -25.266 -2.783 5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -22.325 -3.704 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -23.965 -4.182 6.303 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.586 0.862 8.838 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.045 0.870 10.221 1.00 0.00 C ATOM 2091 C ALA A 130 -19.708 2.192 10.901 1.00 0.00 C ATOM 2092 O ALA A 130 -20.474 2.692 11.724 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.430 -0.292 10.988 1.00 0.00 C ATOM 0 H ALA A 130 -18.937 0.108 8.614 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.129 0.757 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.782 -0.274 12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.724 -1.232 10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.344 -0.203 10.973 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.555 2.752 10.547 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.113 4.020 11.118 1.00 0.00 C ATOM 2101 C GLU A 131 -18.915 5.185 10.543 1.00 0.00 C ATOM 2102 O GLU A 131 -19.135 6.190 11.219 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.621 4.234 10.851 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.724 3.245 11.578 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.884 3.308 13.085 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.197 4.135 13.720 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.698 2.533 13.628 1.00 0.00 O ATOM 0 H GLU A 131 -17.910 2.348 9.868 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.280 3.981 12.194 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.438 4.158 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.349 5.246 11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.950 2.235 11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -14.684 3.445 11.318 1.00 0.00 H new ATOM 2114 N LYS A 132 -19.347 5.044 9.294 1.00 0.00 N ATOM 2115 CA LYS A 132 -20.122 6.089 8.631 1.00 0.00 C ATOM 2116 C LYS A 132 -21.454 6.319 9.338 1.00 0.00 C ATOM 2117 O LYS A 132 -21.977 7.434 9.347 1.00 0.00 O ATOM 2118 CB LYS A 132 -20.369 5.721 7.165 1.00 0.00 C ATOM 2119 CG LYS A 132 -19.107 5.706 6.313 1.00 0.00 C ATOM 2120 CD LYS A 132 -18.468 7.085 6.211 1.00 0.00 C ATOM 2121 CE LYS A 132 -19.150 7.951 5.161 1.00 0.00 C ATOM 2122 NZ LYS A 132 -20.553 8.282 5.533 1.00 0.00 N ATOM 0 H LYS A 132 -19.174 4.218 8.721 1.00 0.00 H new ATOM 0 HA LYS A 132 -19.544 7.012 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -20.837 4.738 7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -21.077 6.431 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -18.390 5.005 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -19.349 5.344 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -18.519 7.581 7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -17.412 6.978 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -18.584 8.873 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -19.142 7.432 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -20.832 9.174 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -21.185 7.519 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -20.623 8.384 6.566 1.00 0.00 H new ATOM 2136 N GLU A 133 -21.999 5.259 9.929 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.271 5.352 10.639 1.00 0.00 C ATOM 2138 C GLU A 133 -23.060 5.254 12.146 1.00 0.00 C ATOM 2139 O GLU A 133 -24.021 5.242 12.918 1.00 0.00 O ATOM 2140 CB GLU A 133 -24.223 4.249 10.173 1.00 0.00 C ATOM 2141 CG GLU A 133 -24.542 4.308 8.688 1.00 0.00 C ATOM 2142 CD GLU A 133 -25.488 3.207 8.252 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -25.004 2.108 7.909 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -26.715 3.444 8.253 1.00 0.00 O ATOM 0 H GLU A 133 -21.581 4.329 9.930 1.00 0.00 H new ATOM 0 HA GLU A 133 -23.714 6.322 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -23.782 3.279 10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -25.152 4.319 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -24.984 5.276 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -23.616 4.234 8.118 1.00 0.00 H new ATOM 2151 N GLY A 134 -21.798 5.186 12.558 1.00 0.00 N ATOM 2152 CA GLY A 134 -21.481 5.091 13.971 1.00 0.00 C ATOM 2153 C GLY A 134 -20.272 5.920 14.350 1.00 0.00 C ATOM 2154 O GLY A 134 -19.271 5.386 14.830 1.00 0.00 O ATOM 0 H GLY A 134 -20.988 5.195 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -22.340 5.419 14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -21.298 4.048 14.230 1.00 0.00 H new ATOM 2158 N ARG A 135 -20.364 7.227 14.132 1.00 0.00 N ATOM 2159 CA ARG A 135 -19.269 8.136 14.451 1.00 0.00 C ATOM 2160 C ARG A 135 -19.257 8.473 15.938 1.00 0.00 C ATOM 2161 O ARG A 135 -20.114 8.017 16.695 1.00 0.00 O ATOM 2162 CB ARG A 135 -19.388 9.419 13.627 1.00 0.00 C ATOM 2163 CG ARG A 135 -19.330 9.189 12.126 1.00 0.00 C ATOM 2164 CD ARG A 135 -19.409 10.501 11.361 1.00 0.00 C ATOM 2165 NE ARG A 135 -19.375 10.299 9.915 1.00 0.00 N ATOM 2166 CZ ARG A 135 -19.206 11.282 9.037 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -19.039 12.529 9.458 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -19.203 11.019 7.737 1.00 0.00 N ATOM 0 H ARG A 135 -21.186 7.681 13.735 1.00 0.00 H new ATOM 0 HA ARG A 135 -18.332 7.638 14.202 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -20.328 9.913 13.874 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -18.586 10.099 13.913 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -18.405 8.672 11.871 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -20.152 8.540 11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -20.327 11.023 11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -18.579 11.142 11.656 1.00 0.00 H new ATOM 0 HE ARG A 135 -19.487 9.350 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -19.040 12.734 10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -18.909 13.282 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -19.331 10.061 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -19.073 11.775 7.064 1.00 0.00 H new ATOM 2182 N GLY A 136 -18.279 9.274 16.350 1.00 0.00 N ATOM 2183 CA GLY A 136 -18.173 9.662 17.745 1.00 0.00 C ATOM 2184 C GLY A 136 -16.765 10.072 18.129 1.00 0.00 C ATOM 2185 O GLY A 136 -16.620 10.935 19.021 1.00 0.00 O ATOM 2186 OXT GLY A 136 -15.806 9.530 17.539 1.00 0.00 O ATOM 0 H GLY A 136 -17.557 9.662 15.742 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.855 10.489 17.941 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -18.490 8.831 18.375 1.00 0.00 H new TER 2190 GLY A 136