USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot -33:sc= 0.00514 USER MOD Set 1.2: A 100 MET CE :methyl -125:sc= -1.45 (180deg=-4.97!) USER MOD Set 2.1: A 89 ASN : amide:sc= -0.5 K(o=-0.78,f=-3.6!) USER MOD Set 2.2: A 108 HIS : no HD1:sc= -0.283 X(o=-0.78,f=-1.1) USER MOD Set 3.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 80 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Set 4.1: A 72 SER OG : rot 147:sc= 0.755 USER MOD Set 4.2: A 94 TYR OH : rot 150:sc= 2.32 USER MOD Set 5.1: A 42 TYR OH : rot -31:sc= -2.3! USER MOD Set 5.2: A 50 THR OG1 : rot -61:sc= 0.31 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.209 (180deg=-1.16) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot -85:sc= -1.46! USER MOD Single : A 13 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00517) USER MOD Single : A 18 MET CE :methyl -142:sc= -6.39! (180deg=-11.1!) USER MOD Single : A 22 GLN : amide:sc= -0.649 K(o=-0.65,f=-0.12) USER MOD Single : A 32 GLN : amide:sc= -3.16 K(o=-3.2,f=-8.2!) USER MOD Single : A 38 ASN : amide:sc= -3.46 K(o=-3.5,f=-14!) USER MOD Single : A 41 GLN : amide:sc= -6.82! C(o=-6.8!,f=-5.2!) USER MOD Single : A 43 ASN : amide:sc= -8.07! C(o=-8.1!,f=-17!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.7!) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= 0.146 (180deg=0.0108) USER MOD Single : A 70 THR OG1 : rot -67:sc= -1.27 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -41:sc= -0.348 USER MOD Single : A 87 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.3!) USER MOD Single : A 90 THR OG1 : rot 160:sc= -0.439 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 103 THR OG1 : rot 19:sc= 0.309 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -163:sc= -3.69! (180deg=-4.46!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.177) USER MOD Single : A 114 SER OG : rot 120:sc= -1.17 USER MOD Single : A 117 SER OG : rot 66:sc= 1.09 USER MOD Single : A 118 TYR OH : rot 180:sc= -2.9! USER MOD Single : A 123 LYS NZ :NH3+ -179:sc= -2.23! (180deg=-2.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.039 3.792 15.325 1.00 0.00 N ATOM 2 CA MET A 1 20.419 3.670 13.889 1.00 0.00 C ATOM 3 C MET A 1 19.355 2.859 13.149 1.00 0.00 C ATOM 4 O MET A 1 19.656 2.091 12.256 1.00 0.00 O ATOM 5 CB MET A 1 21.769 2.961 13.778 1.00 0.00 C ATOM 6 CG MET A 1 21.766 1.713 14.665 1.00 0.00 C ATOM 7 SD MET A 1 23.355 0.859 14.510 1.00 0.00 S ATOM 8 CE MET A 1 23.360 0.090 16.148 1.00 0.00 C ATOM 0 H1 MET A 1 20.897 3.895 15.904 1.00 0.00 H new ATOM 0 H2 MET A 1 19.432 4.627 15.454 1.00 0.00 H new ATOM 0 H3 MET A 1 19.522 2.939 15.621 1.00 0.00 H new ATOM 0 HA MET A 1 20.493 4.663 13.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.961 2.683 12.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.571 3.634 14.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.591 1.993 15.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.953 1.048 14.373 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.270 -0.498 16.271 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.322 0.865 16.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.491 -0.561 16.247 1.00 0.00 H new ATOM 20 N GLU A 2 18.112 3.019 13.514 1.00 0.00 N ATOM 21 CA GLU A 2 17.032 2.252 12.833 1.00 0.00 C ATOM 22 C GLU A 2 15.871 3.193 12.496 1.00 0.00 C ATOM 23 O GLU A 2 14.757 3.012 12.946 1.00 0.00 O ATOM 24 CB GLU A 2 16.543 1.133 13.757 1.00 0.00 C ATOM 25 CG GLU A 2 16.930 -0.223 13.163 1.00 0.00 C ATOM 26 CD GLU A 2 15.733 -0.811 12.414 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.629 -0.698 12.921 1.00 0.00 O ATOM 28 OE2 GLU A 2 15.940 -1.363 11.346 1.00 0.00 O ATOM 0 H GLU A 2 17.799 3.647 14.254 1.00 0.00 H new ATOM 0 HA GLU A 2 17.418 1.815 11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.982 1.247 14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.462 1.194 13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.776 -0.107 12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.247 -0.902 13.955 1.00 0.00 H new ATOM 35 N HIS A 3 16.123 4.196 11.702 1.00 0.00 N ATOM 36 CA HIS A 3 15.039 5.148 11.331 1.00 0.00 C ATOM 37 C HIS A 3 14.717 4.989 9.844 1.00 0.00 C ATOM 38 O HIS A 3 15.564 5.175 8.993 1.00 0.00 O ATOM 39 CB HIS A 3 15.505 6.580 11.603 1.00 0.00 C ATOM 40 CG HIS A 3 15.226 6.938 13.037 1.00 0.00 C ATOM 41 ND1 HIS A 3 16.042 6.522 14.077 1.00 0.00 N ATOM 42 CD2 HIS A 3 14.226 7.678 13.619 1.00 0.00 C ATOM 43 CE1 HIS A 3 15.524 7.009 15.219 1.00 0.00 C ATOM 44 NE2 HIS A 3 14.417 7.722 14.998 1.00 0.00 N ATOM 0 H HIS A 3 17.035 4.398 11.293 1.00 0.00 H new ATOM 0 HA HIS A 3 14.148 4.939 11.922 1.00 0.00 H new ATOM 0 HB2 HIS A 3 16.571 6.672 11.396 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.990 7.273 10.938 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.415 8.154 13.088 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.952 6.843 16.197 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.837 8.196 15.690 1.00 0.00 H new ATOM 52 N VAL A 4 13.501 4.640 9.522 1.00 0.00 N ATOM 53 CA VAL A 4 13.135 4.464 8.088 1.00 0.00 C ATOM 54 C VAL A 4 11.647 4.129 7.972 1.00 0.00 C ATOM 55 O VAL A 4 11.293 3.067 7.511 1.00 0.00 O ATOM 56 CB VAL A 4 13.954 3.310 7.495 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.640 2.016 8.250 1.00 0.00 C ATOM 58 CG2 VAL A 4 13.588 3.124 6.021 1.00 0.00 C ATOM 0 H VAL A 4 12.747 4.470 10.188 1.00 0.00 H new ATOM 0 HA VAL A 4 13.344 5.387 7.547 1.00 0.00 H new ATOM 0 HB VAL A 4 15.015 3.543 7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.223 1.198 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.896 2.138 9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.578 1.790 8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.171 2.304 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.526 2.895 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.806 4.041 5.473 1.00 0.00 H new ATOM 68 N ALA A 5 10.773 5.013 8.382 1.00 0.00 N ATOM 69 CA ALA A 5 9.313 4.706 8.281 1.00 0.00 C ATOM 70 C ALA A 5 9.026 3.443 9.103 1.00 0.00 C ATOM 71 O ALA A 5 9.672 3.193 10.101 1.00 0.00 O ATOM 72 CB ALA A 5 8.961 4.456 6.809 1.00 0.00 C ATOM 0 H ALA A 5 11.003 5.924 8.778 1.00 0.00 H new ATOM 0 HA ALA A 5 8.718 5.537 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.898 4.231 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.192 5.346 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.542 3.614 6.434 1.00 0.00 H new ATOM 78 N PHE A 6 8.097 2.620 8.682 1.00 0.00 N ATOM 79 CA PHE A 6 7.832 1.366 9.434 1.00 0.00 C ATOM 80 C PHE A 6 8.642 0.241 8.790 1.00 0.00 C ATOM 81 O PHE A 6 8.240 -0.904 8.767 1.00 0.00 O ATOM 82 CB PHE A 6 6.328 1.056 9.431 1.00 0.00 C ATOM 83 CG PHE A 6 5.786 0.648 8.065 1.00 0.00 C ATOM 84 CD1 PHE A 6 6.522 0.780 6.863 1.00 0.00 C ATOM 85 CD2 PHE A 6 4.491 0.124 8.015 1.00 0.00 C ATOM 86 CE1 PHE A 6 5.946 0.383 5.651 1.00 0.00 C ATOM 87 CE2 PHE A 6 3.932 -0.264 6.801 1.00 0.00 C ATOM 88 CZ PHE A 6 4.651 -0.139 5.629 1.00 0.00 C ATOM 0 H PHE A 6 7.517 2.765 7.855 1.00 0.00 H new ATOM 0 HA PHE A 6 8.136 1.471 10.475 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.130 0.255 10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.785 1.934 9.779 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.523 1.185 6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.920 0.019 8.926 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.504 0.480 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.930 -0.665 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.210 -0.446 4.692 1.00 0.00 H new ATOM 98 N GLY A 7 9.788 0.597 8.262 1.00 0.00 N ATOM 99 CA GLY A 7 10.679 -0.374 7.581 1.00 0.00 C ATOM 100 C GLY A 7 10.680 -0.052 6.076 1.00 0.00 C ATOM 101 O GLY A 7 11.054 -0.867 5.258 1.00 0.00 O ATOM 0 H GLY A 7 10.147 1.552 8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.690 -0.310 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.332 -1.393 7.752 1.00 0.00 H new ATOM 105 N SER A 8 10.251 1.139 5.710 1.00 0.00 N ATOM 106 CA SER A 8 10.213 1.520 4.265 1.00 0.00 C ATOM 107 C SER A 8 11.500 2.244 3.872 1.00 0.00 C ATOM 108 O SER A 8 11.701 3.395 4.190 1.00 0.00 O ATOM 109 CB SER A 8 9.002 2.420 3.992 1.00 0.00 C ATOM 110 OG SER A 8 8.204 2.512 5.164 1.00 0.00 O ATOM 0 H SER A 8 9.927 1.860 6.354 1.00 0.00 H new ATOM 0 HA SER A 8 10.125 0.613 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.335 3.412 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.413 2.015 3.169 1.00 0.00 H new ATOM 0 HG SER A 8 7.586 1.752 5.200 1.00 0.00 H new ATOM 116 N GLU A 9 12.367 1.554 3.173 1.00 0.00 N ATOM 117 CA GLU A 9 13.665 2.153 2.731 1.00 0.00 C ATOM 118 C GLU A 9 13.430 3.184 1.630 1.00 0.00 C ATOM 119 O GLU A 9 13.610 2.888 0.465 1.00 0.00 O ATOM 120 CB GLU A 9 14.539 1.040 2.154 1.00 0.00 C ATOM 121 CG GLU A 9 15.182 0.243 3.289 1.00 0.00 C ATOM 122 CD GLU A 9 14.454 -1.091 3.451 1.00 0.00 C ATOM 123 OE1 GLU A 9 13.388 -1.094 4.044 1.00 0.00 O ATOM 124 OE2 GLU A 9 14.974 -2.088 2.978 1.00 0.00 O ATOM 0 H GLU A 9 12.228 0.585 2.885 1.00 0.00 H new ATOM 0 HA GLU A 9 14.142 2.634 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.937 0.380 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.312 1.467 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.237 0.070 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.135 0.810 4.218 1.00 0.00 H new ATOM 131 N ASP A 10 13.038 4.391 1.972 1.00 0.00 N ATOM 132 CA ASP A 10 12.796 5.430 0.918 1.00 0.00 C ATOM 133 C ASP A 10 11.993 4.800 -0.224 1.00 0.00 C ATOM 134 O ASP A 10 12.454 4.712 -1.343 1.00 0.00 O ATOM 135 CB ASP A 10 14.137 5.935 0.376 1.00 0.00 C ATOM 136 CG ASP A 10 15.089 6.212 1.541 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.639 6.771 2.527 1.00 0.00 O ATOM 138 OD2 ASP A 10 16.252 5.861 1.425 1.00 0.00 O ATOM 0 H ASP A 10 12.876 4.700 2.931 1.00 0.00 H new ATOM 0 HA ASP A 10 12.243 6.266 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.572 5.194 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.986 6.843 -0.208 1.00 0.00 H new ATOM 143 N ILE A 11 10.811 4.333 0.060 1.00 0.00 N ATOM 144 CA ILE A 11 10.002 3.682 -0.994 1.00 0.00 C ATOM 145 C ILE A 11 9.671 4.690 -2.077 1.00 0.00 C ATOM 146 O ILE A 11 10.047 4.522 -3.204 1.00 0.00 O ATOM 147 CB ILE A 11 8.700 3.155 -0.423 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.866 2.625 1.001 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.182 2.034 -1.305 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.015 1.626 1.063 1.00 0.00 C ATOM 0 H ILE A 11 10.373 4.376 0.980 1.00 0.00 H new ATOM 0 HA ILE A 11 10.581 2.854 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 11 7.995 3.986 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.057 3.452 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.942 2.148 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.246 1.653 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.011 2.413 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.917 1.229 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.122 1.257 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.807 0.790 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.939 2.115 0.756 1.00 0.00 H new ATOM 162 N GLU A 12 8.937 5.719 -1.738 1.00 0.00 N ATOM 163 CA GLU A 12 8.523 6.743 -2.751 1.00 0.00 C ATOM 164 C GLU A 12 9.640 7.025 -3.769 1.00 0.00 C ATOM 165 O GLU A 12 9.376 7.282 -4.926 1.00 0.00 O ATOM 166 CB GLU A 12 8.143 8.042 -2.039 1.00 0.00 C ATOM 167 CG GLU A 12 9.222 8.406 -1.016 1.00 0.00 C ATOM 168 CD GLU A 12 9.666 9.854 -1.234 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.755 10.260 -2.382 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.911 10.533 -0.250 1.00 0.00 O ATOM 0 H GLU A 12 8.602 5.897 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 12 7.666 6.346 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.031 8.847 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.180 7.926 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.836 8.282 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.074 7.734 -1.116 1.00 0.00 H new ATOM 177 N ASN A 13 10.878 6.966 -3.362 1.00 0.00 N ATOM 178 CA ASN A 13 11.985 7.217 -4.330 1.00 0.00 C ATOM 179 C ASN A 13 12.229 5.934 -5.125 1.00 0.00 C ATOM 180 O ASN A 13 12.369 5.947 -6.331 1.00 0.00 O ATOM 181 CB ASN A 13 13.257 7.604 -3.571 1.00 0.00 C ATOM 182 CG ASN A 13 13.322 9.126 -3.424 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.930 9.851 -4.317 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.801 9.645 -2.327 1.00 0.00 N ATOM 0 H ASN A 13 11.171 6.756 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 13 11.717 8.031 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.264 7.133 -2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.136 7.242 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.846 10.658 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.130 9.037 -1.577 1.00 0.00 H new ATOM 191 N THR A 14 12.265 4.824 -4.445 1.00 0.00 N ATOM 192 CA THR A 14 12.481 3.515 -5.119 1.00 0.00 C ATOM 193 C THR A 14 11.238 3.147 -5.950 1.00 0.00 C ATOM 194 O THR A 14 11.248 2.195 -6.704 1.00 0.00 O ATOM 195 CB THR A 14 12.718 2.450 -4.027 1.00 0.00 C ATOM 196 OG1 THR A 14 14.055 2.551 -3.558 1.00 0.00 O ATOM 197 CG2 THR A 14 12.480 1.037 -4.574 1.00 0.00 C ATOM 0 H THR A 14 12.152 4.768 -3.433 1.00 0.00 H new ATOM 0 HA THR A 14 13.341 3.568 -5.787 1.00 0.00 H new ATOM 0 HB THR A 14 12.016 2.628 -3.212 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.210 1.878 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.654 0.307 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.452 0.952 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.164 0.847 -5.401 1.00 0.00 H new ATOM 205 N LEU A 15 10.172 3.878 -5.810 1.00 0.00 N ATOM 206 CA LEU A 15 8.944 3.559 -6.576 1.00 0.00 C ATOM 207 C LEU A 15 8.883 4.448 -7.824 1.00 0.00 C ATOM 208 O LEU A 15 8.216 4.133 -8.790 1.00 0.00 O ATOM 209 CB LEU A 15 7.724 3.813 -5.686 1.00 0.00 C ATOM 210 CG LEU A 15 7.818 2.986 -4.399 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.869 3.574 -3.353 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.414 1.539 -4.675 1.00 0.00 C ATOM 0 H LEU A 15 10.100 4.687 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 15 8.953 2.514 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.660 4.873 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.813 3.555 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 15 8.845 3.011 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.932 2.989 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.151 4.606 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.847 3.546 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.484 0.960 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.389 1.512 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.081 1.112 -5.424 1.00 0.00 H new ATOM 224 N ALA A 16 9.572 5.561 -7.807 1.00 0.00 N ATOM 225 CA ALA A 16 9.553 6.475 -8.985 1.00 0.00 C ATOM 226 C ALA A 16 10.707 6.131 -9.932 1.00 0.00 C ATOM 227 O ALA A 16 10.585 6.244 -11.136 1.00 0.00 O ATOM 228 CB ALA A 16 9.701 7.921 -8.506 1.00 0.00 C ATOM 0 H ALA A 16 10.147 5.875 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 16 8.608 6.357 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.688 8.592 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.876 8.169 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.645 8.033 -7.973 1.00 0.00 H new ATOM 234 N LYS A 17 11.825 5.711 -9.405 1.00 0.00 N ATOM 235 CA LYS A 17 12.975 5.361 -10.287 1.00 0.00 C ATOM 236 C LYS A 17 13.170 3.845 -10.262 1.00 0.00 C ATOM 237 O LYS A 17 14.258 3.345 -10.055 1.00 0.00 O ATOM 238 CB LYS A 17 14.241 6.058 -9.779 1.00 0.00 C ATOM 239 CG LYS A 17 14.862 6.885 -10.910 1.00 0.00 C ATOM 240 CD LYS A 17 16.288 6.401 -11.177 1.00 0.00 C ATOM 241 CE LYS A 17 17.139 6.607 -9.923 1.00 0.00 C ATOM 242 NZ LYS A 17 17.742 5.308 -9.517 1.00 0.00 N ATOM 0 H LYS A 17 11.992 5.595 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 17 12.777 5.689 -11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.999 6.703 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.957 5.318 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.261 6.792 -11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.870 7.941 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.280 5.347 -11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.718 6.948 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.922 7.339 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.525 7.004 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.194 5.411 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.999 4.582 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.455 5.022 -10.218 1.00 0.00 H new ATOM 256 N MET A 18 12.113 3.112 -10.467 1.00 0.00 N ATOM 257 CA MET A 18 12.211 1.630 -10.451 1.00 0.00 C ATOM 258 C MET A 18 11.462 1.070 -11.669 1.00 0.00 C ATOM 259 O MET A 18 10.324 1.413 -11.922 1.00 0.00 O ATOM 260 CB MET A 18 11.595 1.119 -9.135 1.00 0.00 C ATOM 261 CG MET A 18 11.204 -0.359 -9.245 1.00 0.00 C ATOM 262 SD MET A 18 9.476 -0.485 -9.772 1.00 0.00 S ATOM 263 CE MET A 18 8.743 0.401 -8.373 1.00 0.00 C ATOM 0 H MET A 18 11.179 3.480 -10.646 1.00 0.00 H new ATOM 0 HA MET A 18 13.249 1.302 -10.506 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.308 1.250 -8.321 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.716 1.713 -8.887 1.00 0.00 H new ATOM 0 HG2 MET A 18 11.852 -0.866 -9.960 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.340 -0.855 -8.284 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.802 -0.074 -8.094 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.428 0.374 -7.526 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.556 1.437 -8.656 1.00 0.00 H new ATOM 273 N ASP A 19 12.096 0.213 -12.424 1.00 0.00 N ATOM 274 CA ASP A 19 11.423 -0.365 -13.622 1.00 0.00 C ATOM 275 C ASP A 19 10.180 -1.141 -13.183 1.00 0.00 C ATOM 276 O ASP A 19 9.062 -0.718 -13.405 1.00 0.00 O ATOM 277 CB ASP A 19 12.386 -1.313 -14.341 1.00 0.00 C ATOM 278 CG ASP A 19 13.306 -0.508 -15.263 1.00 0.00 C ATOM 279 OD1 ASP A 19 12.807 0.046 -16.228 1.00 0.00 O ATOM 280 OD2 ASP A 19 14.494 -0.463 -14.988 1.00 0.00 O ATOM 0 H ASP A 19 13.050 -0.111 -12.263 1.00 0.00 H new ATOM 0 HA ASP A 19 11.131 0.439 -14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.978 -1.867 -13.613 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.825 -2.047 -14.920 1.00 0.00 H new ATOM 285 N ASP A 20 10.364 -2.275 -12.562 1.00 0.00 N ATOM 286 CA ASP A 20 9.190 -3.076 -12.110 1.00 0.00 C ATOM 287 C ASP A 20 9.656 -4.184 -11.161 1.00 0.00 C ATOM 288 O ASP A 20 9.005 -4.484 -10.180 1.00 0.00 O ATOM 289 CB ASP A 20 8.503 -3.705 -13.324 1.00 0.00 C ATOM 290 CG ASP A 20 7.396 -2.775 -13.822 1.00 0.00 C ATOM 291 OD1 ASP A 20 6.479 -2.518 -13.060 1.00 0.00 O ATOM 292 OD2 ASP A 20 7.483 -2.338 -14.957 1.00 0.00 O ATOM 0 H ASP A 20 11.275 -2.681 -12.348 1.00 0.00 H new ATOM 0 HA ASP A 20 8.489 -2.424 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.230 -3.879 -14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.085 -4.675 -13.056 1.00 0.00 H new ATOM 297 N GLY A 21 10.773 -4.797 -11.445 1.00 0.00 N ATOM 298 CA GLY A 21 11.270 -5.889 -10.558 1.00 0.00 C ATOM 299 C GLY A 21 12.372 -5.353 -9.643 1.00 0.00 C ATOM 300 O GLY A 21 13.451 -5.908 -9.563 1.00 0.00 O ATOM 0 H GLY A 21 11.362 -4.590 -12.251 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.450 -6.286 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.653 -6.713 -11.160 1.00 0.00 H new ATOM 304 N GLN A 22 12.110 -4.282 -8.945 1.00 0.00 N ATOM 305 CA GLN A 22 13.142 -3.716 -8.032 1.00 0.00 C ATOM 306 C GLN A 22 12.575 -3.647 -6.612 1.00 0.00 C ATOM 307 O GLN A 22 13.252 -3.947 -5.648 1.00 0.00 O ATOM 308 CB GLN A 22 13.524 -2.311 -8.498 1.00 0.00 C ATOM 309 CG GLN A 22 15.044 -2.147 -8.435 1.00 0.00 C ATOM 310 CD GLN A 22 15.409 -0.674 -8.627 1.00 0.00 C ATOM 311 OE1 GLN A 22 15.955 -0.052 -7.739 1.00 0.00 O ATOM 312 NE2 GLN A 22 15.131 -0.085 -9.758 1.00 0.00 N ATOM 0 H GLN A 22 11.225 -3.775 -8.968 1.00 0.00 H new ATOM 0 HA GLN A 22 14.027 -4.352 -8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.172 -2.146 -9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.041 -1.564 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.419 -2.503 -7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.518 -2.753 -9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.672 -0.606 -10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.373 0.897 -9.895 1.00 0.00 H new ATOM 321 N LEU A 23 11.338 -3.256 -6.477 1.00 0.00 N ATOM 322 CA LEU A 23 10.729 -3.172 -5.118 1.00 0.00 C ATOM 323 C LEU A 23 10.056 -4.506 -4.758 1.00 0.00 C ATOM 324 O LEU A 23 9.490 -4.653 -3.693 1.00 0.00 O ATOM 325 CB LEU A 23 9.708 -2.011 -5.069 1.00 0.00 C ATOM 326 CG LEU A 23 8.356 -2.407 -5.696 1.00 0.00 C ATOM 327 CD1 LEU A 23 7.302 -1.363 -5.326 1.00 0.00 C ATOM 328 CD2 LEU A 23 8.486 -2.470 -7.219 1.00 0.00 C ATOM 0 H LEU A 23 10.723 -2.991 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 23 11.512 -2.975 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.553 -1.707 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.114 -1.148 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 23 8.059 -3.385 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.345 -1.640 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.201 -1.316 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.608 -0.388 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.527 -2.750 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.786 -1.493 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.238 -3.211 -7.490 1.00 0.00 H new ATOM 340 N ASP A 24 10.106 -5.478 -5.630 1.00 0.00 N ATOM 341 CA ASP A 24 9.463 -6.785 -5.321 1.00 0.00 C ATOM 342 C ASP A 24 10.248 -7.518 -4.220 1.00 0.00 C ATOM 343 O ASP A 24 9.827 -8.550 -3.737 1.00 0.00 O ATOM 344 CB ASP A 24 9.435 -7.648 -6.587 1.00 0.00 C ATOM 345 CG ASP A 24 8.598 -8.907 -6.339 1.00 0.00 C ATOM 346 OD1 ASP A 24 7.972 -8.987 -5.294 1.00 0.00 O ATOM 347 OD2 ASP A 24 8.597 -9.771 -7.201 1.00 0.00 O ATOM 0 H ASP A 24 10.563 -5.422 -6.540 1.00 0.00 H new ATOM 0 HA ASP A 24 8.446 -6.607 -4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.016 -7.079 -7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.450 -7.925 -6.872 1.00 0.00 H new ATOM 352 N GLY A 25 11.380 -7.000 -3.818 1.00 0.00 N ATOM 353 CA GLY A 25 12.174 -7.676 -2.754 1.00 0.00 C ATOM 354 C GLY A 25 11.890 -7.008 -1.409 1.00 0.00 C ATOM 355 O GLY A 25 12.739 -6.940 -0.543 1.00 0.00 O ATOM 0 H GLY A 25 11.787 -6.138 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.916 -8.734 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.238 -7.617 -2.985 1.00 0.00 H new ATOM 359 N LEU A 26 10.696 -6.520 -1.230 1.00 0.00 N ATOM 360 CA LEU A 26 10.335 -5.864 0.044 1.00 0.00 C ATOM 361 C LEU A 26 9.439 -6.808 0.844 1.00 0.00 C ATOM 362 O LEU A 26 8.694 -7.595 0.294 1.00 0.00 O ATOM 363 CB LEU A 26 9.555 -4.572 -0.240 1.00 0.00 C ATOM 364 CG LEU A 26 10.394 -3.603 -1.081 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.476 -2.543 -1.702 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.424 -2.905 -0.189 1.00 0.00 C ATOM 0 H LEU A 26 9.949 -6.551 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 26 11.241 -5.629 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.630 -4.809 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.276 -4.096 0.700 1.00 0.00 H new ATOM 0 HG LEU A 26 10.905 -4.160 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.070 -1.853 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.736 -3.030 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.968 -1.992 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.019 -2.217 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.909 -2.350 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.078 -3.650 0.263 1.00 0.00 H new ATOM 378 N ALA A 27 9.483 -6.700 2.135 1.00 0.00 N ATOM 379 CA ALA A 27 8.607 -7.551 3.002 1.00 0.00 C ATOM 380 C ALA A 27 7.341 -6.748 3.338 1.00 0.00 C ATOM 381 O ALA A 27 6.678 -6.966 4.345 1.00 0.00 O ATOM 382 CB ALA A 27 9.349 -7.904 4.294 1.00 0.00 C ATOM 0 H ALA A 27 10.091 -6.055 2.640 1.00 0.00 H new ATOM 0 HA ALA A 27 8.344 -8.473 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.710 -8.523 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.260 -8.451 4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.606 -6.989 4.827 1.00 0.00 H new ATOM 388 N PHE A 28 7.016 -5.808 2.491 1.00 0.00 N ATOM 389 CA PHE A 28 5.835 -4.958 2.705 1.00 0.00 C ATOM 390 C PHE A 28 5.459 -4.344 1.366 1.00 0.00 C ATOM 391 O PHE A 28 6.251 -3.703 0.704 1.00 0.00 O ATOM 392 CB PHE A 28 6.120 -3.867 3.757 1.00 0.00 C ATOM 393 CG PHE A 28 7.342 -3.031 3.401 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.563 -3.639 3.055 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.256 -1.632 3.436 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.677 -2.859 2.742 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.377 -0.860 3.121 1.00 0.00 C ATOM 398 CZ PHE A 28 9.585 -1.473 2.772 1.00 0.00 C ATOM 0 H PHE A 28 7.541 -5.598 1.642 1.00 0.00 H new ATOM 0 HA PHE A 28 5.007 -5.554 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.250 -3.216 3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.272 -4.334 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.638 -4.716 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.326 -1.153 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.611 -3.333 2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.310 0.218 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.446 -0.869 2.526 1.00 0.00 H new ATOM 408 N GLY A 29 4.263 -4.591 0.956 1.00 0.00 N ATOM 409 CA GLY A 29 3.788 -4.098 -0.359 1.00 0.00 C ATOM 410 C GLY A 29 3.869 -2.581 -0.459 1.00 0.00 C ATOM 411 O GLY A 29 3.787 -1.876 0.525 1.00 0.00 O ATOM 0 H GLY A 29 3.574 -5.126 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.386 -4.547 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.758 -4.418 -0.516 1.00 0.00 H new ATOM 415 N ALA A 30 3.980 -2.073 -1.660 1.00 0.00 N ATOM 416 CA ALA A 30 4.007 -0.598 -1.843 1.00 0.00 C ATOM 417 C ALA A 30 2.943 -0.276 -2.883 1.00 0.00 C ATOM 418 O ALA A 30 3.210 -0.213 -4.066 1.00 0.00 O ATOM 419 CB ALA A 30 5.390 -0.120 -2.314 1.00 0.00 C ATOM 0 H ALA A 30 4.053 -2.619 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 30 3.808 -0.087 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.378 0.963 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.141 -0.391 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.633 -0.592 -3.266 1.00 0.00 H new ATOM 425 N ILE A 31 1.721 -0.128 -2.450 1.00 0.00 N ATOM 426 CA ILE A 31 0.619 0.124 -3.413 1.00 0.00 C ATOM 427 C ILE A 31 0.492 1.615 -3.710 1.00 0.00 C ATOM 428 O ILE A 31 0.675 2.456 -2.856 1.00 0.00 O ATOM 429 CB ILE A 31 -0.711 -0.446 -2.860 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.355 0.491 -1.846 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.449 -1.758 -2.139 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.184 1.553 -2.567 1.00 0.00 C ATOM 0 H ILE A 31 1.441 -0.171 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 31 0.850 -0.384 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.375 -0.577 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.989 -0.077 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.585 0.969 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.388 -2.154 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.012 -2.474 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.241 -1.588 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.640 2.218 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.539 2.131 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.965 1.069 -3.153 1.00 0.00 H new ATOM 444 N GLN A 32 0.162 1.931 -4.925 1.00 0.00 N ATOM 445 CA GLN A 32 -0.006 3.351 -5.314 1.00 0.00 C ATOM 446 C GLN A 32 -1.474 3.566 -5.659 1.00 0.00 C ATOM 447 O GLN A 32 -2.190 2.628 -5.938 1.00 0.00 O ATOM 448 CB GLN A 32 0.860 3.643 -6.538 1.00 0.00 C ATOM 449 CG GLN A 32 2.282 3.139 -6.287 1.00 0.00 C ATOM 450 CD GLN A 32 2.873 3.861 -5.075 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.950 3.302 -4.000 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.294 5.089 -5.204 1.00 0.00 N ATOM 0 H GLN A 32 -0.000 1.258 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 32 0.294 4.014 -4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.440 3.157 -7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.873 4.714 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.272 2.063 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.902 3.315 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.229 5.558 -6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.688 5.580 -4.401 1.00 0.00 H new ATOM 461 N LEU A 33 -1.942 4.780 -5.635 1.00 0.00 N ATOM 462 CA LEU A 33 -3.376 5.012 -5.958 1.00 0.00 C ATOM 463 C LEU A 33 -3.552 6.411 -6.545 1.00 0.00 C ATOM 464 O LEU A 33 -2.830 7.328 -6.207 1.00 0.00 O ATOM 465 CB LEU A 33 -4.202 4.910 -4.675 1.00 0.00 C ATOM 466 CG LEU A 33 -4.273 3.451 -4.226 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.021 3.360 -2.894 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.010 2.627 -5.283 1.00 0.00 C ATOM 0 H LEU A 33 -1.401 5.615 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.708 4.266 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.753 5.521 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.206 5.298 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.263 3.061 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.071 2.319 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.495 3.946 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.031 3.751 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.061 1.586 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.020 3.017 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.475 2.689 -6.231 1.00 0.00 H new ATOM 480 N ASP A 34 -4.514 6.592 -7.405 1.00 0.00 N ATOM 481 CA ASP A 34 -4.731 7.948 -7.983 1.00 0.00 C ATOM 482 C ASP A 34 -6.211 8.330 -7.911 1.00 0.00 C ATOM 483 O ASP A 34 -7.064 7.647 -8.437 1.00 0.00 O ATOM 484 CB ASP A 34 -4.258 7.999 -9.437 1.00 0.00 C ATOM 485 CG ASP A 34 -5.034 6.990 -10.285 1.00 0.00 C ATOM 486 OD1 ASP A 34 -5.678 6.132 -9.710 1.00 0.00 O ATOM 487 OD2 ASP A 34 -4.967 7.093 -11.499 1.00 0.00 O ATOM 0 H ASP A 34 -5.154 5.868 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.149 8.660 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.398 9.003 -9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.191 7.782 -9.487 1.00 0.00 H new ATOM 492 N GLY A 35 -6.471 9.447 -7.272 1.00 0.00 N ATOM 493 CA GLY A 35 -7.842 10.027 -7.105 1.00 0.00 C ATOM 494 C GLY A 35 -8.895 8.980 -6.754 1.00 0.00 C ATOM 495 O GLY A 35 -9.306 8.843 -5.620 1.00 0.00 O ATOM 0 H GLY A 35 -5.742 10.011 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.817 10.785 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.132 10.531 -8.027 1.00 0.00 H new ATOM 499 N ASP A 36 -9.348 8.267 -7.732 1.00 0.00 N ATOM 500 CA ASP A 36 -10.406 7.240 -7.501 1.00 0.00 C ATOM 501 C ASP A 36 -9.843 6.068 -6.697 1.00 0.00 C ATOM 502 O ASP A 36 -10.564 5.168 -6.311 1.00 0.00 O ATOM 503 CB ASP A 36 -10.924 6.738 -8.852 1.00 0.00 C ATOM 504 CG ASP A 36 -12.134 7.570 -9.280 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.940 8.724 -9.626 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.232 7.039 -9.260 1.00 0.00 O ATOM 0 H ASP A 36 -9.032 8.346 -8.698 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.223 7.689 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.137 6.809 -9.603 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.201 5.686 -8.778 1.00 0.00 H new ATOM 511 N GLY A 37 -8.566 6.061 -6.444 1.00 0.00 N ATOM 512 CA GLY A 37 -7.970 4.945 -5.676 1.00 0.00 C ATOM 513 C GLY A 37 -7.590 3.826 -6.642 1.00 0.00 C ATOM 514 O GLY A 37 -7.489 2.672 -6.264 1.00 0.00 O ATOM 0 H GLY A 37 -7.910 6.784 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.090 5.289 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.679 4.578 -4.934 1.00 0.00 H new ATOM 518 N ASN A 38 -7.365 4.152 -7.891 1.00 0.00 N ATOM 519 CA ASN A 38 -6.973 3.086 -8.860 1.00 0.00 C ATOM 520 C ASN A 38 -5.491 2.778 -8.653 1.00 0.00 C ATOM 521 O ASN A 38 -4.676 3.671 -8.525 1.00 0.00 O ATOM 522 CB ASN A 38 -7.218 3.554 -10.297 1.00 0.00 C ATOM 523 CG ASN A 38 -8.638 4.109 -10.420 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.031 4.972 -9.662 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.431 3.644 -11.347 1.00 0.00 N ATOM 0 H ASN A 38 -7.434 5.094 -8.276 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.572 2.191 -8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.492 4.320 -10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.080 2.724 -10.989 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.381 4.006 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.101 2.919 -11.984 1.00 0.00 H new ATOM 532 N ILE A 39 -5.138 1.527 -8.577 1.00 0.00 N ATOM 533 CA ILE A 39 -3.710 1.175 -8.327 1.00 0.00 C ATOM 534 C ILE A 39 -2.781 1.786 -9.385 1.00 0.00 C ATOM 535 O ILE A 39 -3.033 1.721 -10.572 1.00 0.00 O ATOM 536 CB ILE A 39 -3.554 -0.371 -8.296 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.559 -0.752 -7.196 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.044 -0.919 -9.636 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.235 -0.629 -5.830 1.00 0.00 C ATOM 0 H ILE A 39 -5.772 0.734 -8.676 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.420 1.591 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.535 -0.804 -8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.206 -1.772 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.685 -0.102 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.948 -2.003 -9.573 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.749 -0.662 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.071 -0.482 -9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.526 -0.900 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.566 0.398 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.095 -1.297 -5.788 1.00 0.00 H new ATOM 551 N LEU A 40 -1.682 2.327 -8.946 1.00 0.00 N ATOM 552 CA LEU A 40 -0.681 2.891 -9.896 1.00 0.00 C ATOM 553 C LEU A 40 0.557 1.983 -9.858 1.00 0.00 C ATOM 554 O LEU A 40 1.320 1.914 -10.801 1.00 0.00 O ATOM 555 CB LEU A 40 -0.282 4.324 -9.499 1.00 0.00 C ATOM 556 CG LEU A 40 -1.423 5.018 -8.747 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.905 6.310 -8.118 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.551 5.340 -9.727 1.00 0.00 C ATOM 0 H LEU A 40 -1.430 2.404 -7.961 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.110 2.933 -10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.610 4.298 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.028 4.896 -10.391 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.799 4.361 -7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.716 6.805 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.099 6.078 -7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.530 6.971 -8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.365 5.834 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.176 5.999 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.918 4.417 -10.175 1.00 0.00 H new ATOM 570 N GLN A 41 0.750 1.274 -8.767 1.00 0.00 N ATOM 571 CA GLN A 41 1.922 0.353 -8.652 1.00 0.00 C ATOM 572 C GLN A 41 1.760 -0.529 -7.397 1.00 0.00 C ATOM 573 O GLN A 41 1.775 -0.045 -6.284 1.00 0.00 O ATOM 574 CB GLN A 41 3.214 1.173 -8.542 1.00 0.00 C ATOM 575 CG GLN A 41 4.382 0.394 -9.164 1.00 0.00 C ATOM 576 CD GLN A 41 4.443 -1.008 -8.554 1.00 0.00 C ATOM 577 OE1 GLN A 41 5.157 -1.240 -7.597 1.00 0.00 O ATOM 578 NE2 GLN A 41 3.716 -1.958 -9.073 1.00 0.00 N ATOM 0 H GLN A 41 0.141 1.297 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 41 1.973 -0.281 -9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.092 2.130 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.428 1.392 -7.496 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.254 0.327 -10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.320 0.921 -8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.118 -1.762 -9.876 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.746 -2.897 -8.676 1.00 0.00 H new ATOM 587 N TYR A 42 1.584 -1.817 -7.575 1.00 0.00 N ATOM 588 CA TYR A 42 1.394 -2.737 -6.405 1.00 0.00 C ATOM 589 C TYR A 42 2.713 -3.454 -6.032 1.00 0.00 C ATOM 590 O TYR A 42 3.267 -3.223 -4.966 1.00 0.00 O ATOM 591 CB TYR A 42 0.334 -3.781 -6.790 1.00 0.00 C ATOM 592 CG TYR A 42 -0.192 -4.474 -5.558 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.835 -3.734 -4.566 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.036 -5.856 -5.410 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.324 -4.371 -3.419 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.524 -6.497 -4.267 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.169 -5.758 -3.271 1.00 0.00 C ATOM 598 OH TYR A 42 -1.648 -6.392 -2.141 1.00 0.00 O ATOM 0 H TYR A 42 1.564 -2.275 -8.486 1.00 0.00 H new ATOM 0 HA TYR A 42 1.076 -2.156 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.486 -3.298 -7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.767 -4.514 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.956 -2.667 -4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.462 -6.428 -6.179 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.819 -3.796 -2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.402 -7.564 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.603 -5.779 -1.378 1.00 0.00 H new ATOM 608 N ASN A 43 3.177 -4.333 -6.910 1.00 0.00 N ATOM 609 CA ASN A 43 4.438 -5.148 -6.708 1.00 0.00 C ATOM 610 C ASN A 43 4.044 -6.604 -6.380 1.00 0.00 C ATOM 611 O ASN A 43 2.878 -6.935 -6.313 1.00 0.00 O ATOM 612 CB ASN A 43 5.380 -4.549 -5.632 1.00 0.00 C ATOM 613 CG ASN A 43 5.018 -5.044 -4.231 1.00 0.00 C ATOM 614 OD1 ASN A 43 3.915 -5.476 -4.001 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.913 -4.995 -3.284 1.00 0.00 N ATOM 0 H ASN A 43 2.711 -4.525 -7.797 1.00 0.00 H new ATOM 0 HA ASN A 43 5.013 -5.125 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.411 -4.819 -5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.322 -3.461 -5.661 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.682 -5.322 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.845 -4.629 -3.481 1.00 0.00 H new ATOM 622 N ALA A 44 5.003 -7.484 -6.220 1.00 0.00 N ATOM 623 CA ALA A 44 4.664 -8.921 -5.952 1.00 0.00 C ATOM 624 C ALA A 44 4.707 -9.285 -4.456 1.00 0.00 C ATOM 625 O ALA A 44 4.073 -10.231 -4.040 1.00 0.00 O ATOM 626 CB ALA A 44 5.650 -9.812 -6.709 1.00 0.00 C ATOM 0 H ALA A 44 6.000 -7.273 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 44 3.640 -9.079 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.412 -10.859 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.577 -9.610 -7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.664 -9.603 -6.369 1.00 0.00 H new ATOM 632 N ALA A 45 5.457 -8.587 -3.647 1.00 0.00 N ATOM 633 CA ALA A 45 5.526 -8.961 -2.191 1.00 0.00 C ATOM 634 C ALA A 45 4.124 -9.087 -1.602 1.00 0.00 C ATOM 635 O ALA A 45 3.703 -10.140 -1.159 1.00 0.00 O ATOM 636 CB ALA A 45 6.276 -7.877 -1.413 1.00 0.00 C ATOM 0 H ALA A 45 6.021 -7.782 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 45 6.045 -9.916 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.323 -8.152 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.287 -7.779 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.752 -6.927 -1.517 1.00 0.00 H new ATOM 642 N GLU A 46 3.423 -8.003 -1.571 1.00 0.00 N ATOM 643 CA GLU A 46 2.042 -8.002 -0.994 1.00 0.00 C ATOM 644 C GLU A 46 1.173 -9.005 -1.730 1.00 0.00 C ATOM 645 O GLU A 46 0.569 -9.871 -1.140 1.00 0.00 O ATOM 646 CB GLU A 46 1.385 -6.614 -1.116 1.00 0.00 C ATOM 647 CG GLU A 46 1.995 -5.799 -2.260 1.00 0.00 C ATOM 648 CD GLU A 46 1.310 -4.451 -2.353 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.620 -3.721 -3.279 1.00 0.00 O ATOM 650 OE2 GLU A 46 0.387 -4.141 -1.378 1.00 0.00 O ATOM 0 H GLU A 46 3.742 -7.100 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 46 2.127 -8.268 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.314 -6.731 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.504 -6.071 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.063 -5.663 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.886 -6.338 -3.201 1.00 0.00 H new ATOM 658 N GLY A 47 1.102 -8.889 -3.014 1.00 0.00 N ATOM 659 CA GLY A 47 0.262 -9.837 -3.803 1.00 0.00 C ATOM 660 C GLY A 47 0.724 -11.277 -3.556 1.00 0.00 C ATOM 661 O GLY A 47 0.028 -12.219 -3.874 1.00 0.00 O ATOM 0 H GLY A 47 1.588 -8.179 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.785 -9.729 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.332 -9.601 -4.865 1.00 0.00 H new ATOM 665 N ASP A 48 1.888 -11.466 -2.991 1.00 0.00 N ATOM 666 CA ASP A 48 2.361 -12.852 -2.725 1.00 0.00 C ATOM 667 C ASP A 48 1.612 -13.401 -1.509 1.00 0.00 C ATOM 668 O ASP A 48 1.240 -14.557 -1.463 1.00 0.00 O ATOM 669 CB ASP A 48 3.864 -12.835 -2.437 1.00 0.00 C ATOM 670 CG ASP A 48 4.375 -14.270 -2.289 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.688 -15.172 -2.737 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.444 -14.441 -1.727 1.00 0.00 O ATOM 0 H ASP A 48 2.526 -10.724 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 48 2.172 -13.482 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.394 -12.331 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.063 -12.271 -1.526 1.00 0.00 H new ATOM 677 N ILE A 49 1.387 -12.575 -0.524 1.00 0.00 N ATOM 678 CA ILE A 49 0.664 -13.035 0.693 1.00 0.00 C ATOM 679 C ILE A 49 -0.855 -12.982 0.433 1.00 0.00 C ATOM 680 O ILE A 49 -1.553 -13.967 0.568 1.00 0.00 O ATOM 681 CB ILE A 49 1.093 -12.135 1.870 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.921 -12.961 2.858 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.097 -11.510 2.615 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.283 -13.287 2.242 1.00 0.00 C ATOM 0 H ILE A 49 1.675 -11.597 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 49 0.910 -14.067 0.942 1.00 0.00 H new ATOM 0 HB ILE A 49 1.678 -11.316 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.054 -12.408 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.394 -13.882 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.271 -10.888 3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.677 -10.897 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.730 -12.301 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.870 -13.875 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.140 -13.858 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.811 -12.361 2.014 1.00 0.00 H new ATOM 696 N THR A 50 -1.362 -11.834 0.073 1.00 0.00 N ATOM 697 CA THR A 50 -2.829 -11.703 -0.185 1.00 0.00 C ATOM 698 C THR A 50 -3.181 -12.339 -1.529 1.00 0.00 C ATOM 699 O THR A 50 -4.304 -12.734 -1.766 1.00 0.00 O ATOM 700 CB THR A 50 -3.212 -10.222 -0.230 1.00 0.00 C ATOM 701 OG1 THR A 50 -2.679 -9.638 -1.408 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.641 -9.503 0.985 1.00 0.00 C ATOM 0 H THR A 50 -0.823 -10.977 -0.055 1.00 0.00 H new ATOM 0 HA THR A 50 -3.372 -12.207 0.615 1.00 0.00 H new ATOM 0 HB THR A 50 -4.298 -10.131 -0.227 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.702 -9.708 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.917 -8.449 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.042 -9.951 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.555 -9.594 0.984 1.00 0.00 H new ATOM 710 N GLY A 51 -2.233 -12.428 -2.419 1.00 0.00 N ATOM 711 CA GLY A 51 -2.519 -13.019 -3.750 1.00 0.00 C ATOM 712 C GLY A 51 -2.834 -11.901 -4.753 1.00 0.00 C ATOM 713 O GLY A 51 -2.821 -12.109 -5.949 1.00 0.00 O ATOM 0 H GLY A 51 -1.272 -12.116 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.662 -13.599 -4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.362 -13.707 -3.680 1.00 0.00 H new ATOM 717 N ARG A 52 -3.117 -10.716 -4.270 1.00 0.00 N ATOM 718 CA ARG A 52 -3.434 -9.574 -5.180 1.00 0.00 C ATOM 719 C ARG A 52 -2.359 -9.459 -6.263 1.00 0.00 C ATOM 720 O ARG A 52 -1.342 -8.820 -6.077 1.00 0.00 O ATOM 721 CB ARG A 52 -3.468 -8.272 -4.372 1.00 0.00 C ATOM 722 CG ARG A 52 -4.808 -8.146 -3.642 1.00 0.00 C ATOM 723 CD ARG A 52 -4.633 -7.287 -2.390 1.00 0.00 C ATOM 724 NE ARG A 52 -5.146 -5.896 -2.599 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.516 -5.068 -3.392 1.00 0.00 C ATOM 726 NH1 ARG A 52 -4.396 -5.316 -4.669 1.00 0.00 N ATOM 727 NH2 ARG A 52 -3.989 -3.990 -2.898 1.00 0.00 N ATOM 0 H ARG A 52 -3.142 -10.490 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.404 -9.748 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.649 -8.259 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.323 -7.419 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.552 -7.698 -4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.178 -9.134 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.161 -7.748 -1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.578 -7.249 -2.119 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.993 -5.592 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.797 -6.167 -5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.901 -4.659 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.068 -3.795 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.496 -3.338 -3.508 1.00 0.00 H new ATOM 741 N ASP A 53 -2.581 -10.063 -7.396 1.00 0.00 N ATOM 742 CA ASP A 53 -1.576 -9.976 -8.491 1.00 0.00 C ATOM 743 C ASP A 53 -1.474 -8.516 -8.950 1.00 0.00 C ATOM 744 O ASP A 53 -2.366 -7.737 -8.685 1.00 0.00 O ATOM 745 CB ASP A 53 -2.018 -10.852 -9.665 1.00 0.00 C ATOM 746 CG ASP A 53 -1.742 -12.322 -9.340 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.579 -12.686 -9.284 1.00 0.00 O ATOM 748 OD2 ASP A 53 -2.696 -13.057 -9.156 1.00 0.00 O ATOM 0 H ASP A 53 -3.413 -10.612 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.606 -10.323 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.080 -10.706 -9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.483 -10.562 -10.570 1.00 0.00 H new ATOM 753 N PRO A 54 -0.393 -8.176 -9.617 1.00 0.00 N ATOM 754 CA PRO A 54 -0.178 -6.801 -10.102 1.00 0.00 C ATOM 755 C PRO A 54 -0.994 -6.538 -11.373 1.00 0.00 C ATOM 756 O PRO A 54 -1.801 -5.631 -11.426 1.00 0.00 O ATOM 757 CB PRO A 54 1.324 -6.756 -10.401 1.00 0.00 C ATOM 758 CG PRO A 54 1.772 -8.221 -10.616 1.00 0.00 C ATOM 759 CD PRO A 54 0.708 -9.111 -9.947 1.00 0.00 C ATOM 0 HA PRO A 54 -0.491 -6.044 -9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.525 -6.154 -11.287 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.871 -6.300 -9.575 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.854 -8.449 -11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.754 -8.394 -10.176 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.371 -9.902 -10.618 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.100 -9.596 -9.053 1.00 0.00 H new ATOM 767 N LYS A 55 -0.781 -7.316 -12.399 1.00 0.00 N ATOM 768 CA LYS A 55 -1.534 -7.103 -13.667 1.00 0.00 C ATOM 769 C LYS A 55 -3.032 -7.308 -13.432 1.00 0.00 C ATOM 770 O LYS A 55 -3.854 -6.859 -14.207 1.00 0.00 O ATOM 771 CB LYS A 55 -1.047 -8.101 -14.721 1.00 0.00 C ATOM 772 CG LYS A 55 0.446 -7.883 -14.982 1.00 0.00 C ATOM 773 CD LYS A 55 0.712 -7.922 -16.488 1.00 0.00 C ATOM 774 CE LYS A 55 0.846 -6.496 -17.021 1.00 0.00 C ATOM 775 NZ LYS A 55 0.319 -6.435 -18.414 1.00 0.00 N ATOM 0 H LYS A 55 -0.117 -8.091 -12.414 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.363 -6.084 -14.014 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.222 -9.121 -14.379 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.611 -7.974 -15.645 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.762 -6.924 -14.571 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.030 -8.653 -14.479 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.623 -8.485 -16.692 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.102 -8.437 -16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.297 -5.804 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.891 -6.186 -17.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.410 -5.465 -18.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.862 -7.084 -19.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.683 -6.714 -18.419 1.00 0.00 H new ATOM 789 N GLN A 56 -3.399 -7.982 -12.379 1.00 0.00 N ATOM 790 CA GLN A 56 -4.848 -8.210 -12.118 1.00 0.00 C ATOM 791 C GLN A 56 -5.416 -7.051 -11.297 1.00 0.00 C ATOM 792 O GLN A 56 -6.502 -6.573 -11.554 1.00 0.00 O ATOM 793 CB GLN A 56 -5.031 -9.522 -11.353 1.00 0.00 C ATOM 794 CG GLN A 56 -6.506 -9.927 -11.382 1.00 0.00 C ATOM 795 CD GLN A 56 -6.867 -10.632 -10.074 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.419 -11.733 -9.820 1.00 0.00 O ATOM 797 NE2 GLN A 56 -7.663 -10.041 -9.226 1.00 0.00 N ATOM 0 H GLN A 56 -2.762 -8.383 -11.690 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.379 -8.268 -13.068 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.419 -10.305 -11.801 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.695 -9.405 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.133 -9.046 -11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.696 -10.587 -12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.039 -9.117 -9.439 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.909 -10.503 -8.350 1.00 0.00 H new ATOM 806 N VAL A 57 -4.689 -6.587 -10.317 1.00 0.00 N ATOM 807 CA VAL A 57 -5.193 -5.452 -9.493 1.00 0.00 C ATOM 808 C VAL A 57 -4.974 -4.135 -10.236 1.00 0.00 C ATOM 809 O VAL A 57 -5.294 -3.075 -9.736 1.00 0.00 O ATOM 810 CB VAL A 57 -4.440 -5.412 -8.166 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.619 -6.750 -7.455 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.951 -5.157 -8.427 1.00 0.00 C ATOM 0 H VAL A 57 -3.771 -6.944 -10.052 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.258 -5.590 -9.308 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.833 -4.610 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.084 -6.732 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.679 -6.926 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.222 -7.550 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.415 -5.129 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.548 -5.957 -9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.830 -4.203 -8.941 1.00 0.00 H new ATOM 822 N ILE A 58 -4.426 -4.183 -11.421 1.00 0.00 N ATOM 823 CA ILE A 58 -4.196 -2.926 -12.167 1.00 0.00 C ATOM 824 C ILE A 58 -5.545 -2.375 -12.626 1.00 0.00 C ATOM 825 O ILE A 58 -6.299 -3.029 -13.320 1.00 0.00 O ATOM 826 CB ILE A 58 -3.234 -3.209 -13.344 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.844 -2.734 -12.931 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.647 -2.469 -14.627 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.787 -3.419 -13.798 1.00 0.00 C ATOM 0 H ILE A 58 -4.131 -5.036 -11.897 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.727 -2.169 -11.539 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.256 -4.277 -13.560 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.772 -1.652 -13.039 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.669 -2.961 -11.879 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.940 -2.700 -15.424 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.646 -2.787 -14.925 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.648 -1.395 -14.443 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.205 -3.078 -13.501 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.853 -4.499 -13.667 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.958 -3.169 -14.845 1.00 0.00 H new ATOM 841 N GLY A 59 -5.849 -1.180 -12.222 1.00 0.00 N ATOM 842 CA GLY A 59 -7.150 -0.571 -12.608 1.00 0.00 C ATOM 843 C GLY A 59 -8.195 -0.890 -11.534 1.00 0.00 C ATOM 844 O GLY A 59 -9.246 -0.282 -11.480 1.00 0.00 O ATOM 0 H GLY A 59 -5.252 -0.594 -11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.042 0.508 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.474 -0.958 -13.574 1.00 0.00 H new ATOM 848 N LYS A 60 -7.919 -1.841 -10.677 1.00 0.00 N ATOM 849 CA LYS A 60 -8.901 -2.190 -9.614 1.00 0.00 C ATOM 850 C LYS A 60 -8.807 -1.171 -8.480 1.00 0.00 C ATOM 851 O LYS A 60 -7.728 -0.789 -8.059 1.00 0.00 O ATOM 852 CB LYS A 60 -8.591 -3.586 -9.057 1.00 0.00 C ATOM 853 CG LYS A 60 -8.446 -4.587 -10.207 1.00 0.00 C ATOM 854 CD LYS A 60 -9.730 -4.601 -11.044 1.00 0.00 C ATOM 855 CE LYS A 60 -9.636 -5.699 -12.106 1.00 0.00 C ATOM 856 NZ LYS A 60 -9.830 -5.105 -13.459 1.00 0.00 N ATOM 0 H LYS A 60 -7.058 -2.387 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.905 -2.181 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.673 -3.557 -8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.388 -3.904 -8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.595 -4.316 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.247 -5.583 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.593 -4.775 -10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.877 -3.632 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.665 -6.191 -12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.391 -6.463 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.766 -5.853 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.766 -4.655 -13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.093 -4.392 -13.634 1.00 0.00 H new ATOM 870 N ASN A 61 -9.926 -0.735 -7.971 1.00 0.00 N ATOM 871 CA ASN A 61 -9.899 0.241 -6.851 1.00 0.00 C ATOM 872 C ASN A 61 -9.531 -0.512 -5.574 1.00 0.00 C ATOM 873 O ASN A 61 -10.329 -1.234 -5.015 1.00 0.00 O ATOM 874 CB ASN A 61 -11.277 0.890 -6.696 1.00 0.00 C ATOM 875 CG ASN A 61 -11.322 2.180 -7.515 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.900 3.162 -7.095 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.729 2.218 -8.677 1.00 0.00 N ATOM 0 H ASN A 61 -10.856 -1.013 -8.283 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.168 1.025 -7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.055 0.204 -7.033 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.475 1.105 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.751 3.073 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.244 1.393 -9.029 1.00 0.00 H new ATOM 884 N PHE A 62 -8.316 -0.372 -5.126 1.00 0.00 N ATOM 885 CA PHE A 62 -7.882 -1.105 -3.899 1.00 0.00 C ATOM 886 C PHE A 62 -8.737 -0.711 -2.690 1.00 0.00 C ATOM 887 O PHE A 62 -8.706 -1.376 -1.671 1.00 0.00 O ATOM 888 CB PHE A 62 -6.415 -0.758 -3.606 1.00 0.00 C ATOM 889 CG PHE A 62 -6.079 -1.123 -2.177 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.025 -2.462 -1.809 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.842 -0.123 -1.226 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.725 -2.815 -0.495 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.539 -0.472 0.095 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.477 -1.822 0.460 1.00 0.00 C ATOM 0 H PHE A 62 -7.602 0.218 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.999 -2.175 -4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.760 -1.295 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.244 0.306 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.216 -3.231 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.893 0.917 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.684 -3.857 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.354 0.297 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.238 -2.097 1.477 1.00 0.00 H new ATOM 904 N PHE A 63 -9.448 0.368 -2.757 1.00 0.00 N ATOM 905 CA PHE A 63 -10.229 0.783 -1.563 1.00 0.00 C ATOM 906 C PHE A 63 -11.642 0.200 -1.602 1.00 0.00 C ATOM 907 O PHE A 63 -12.515 0.623 -0.870 1.00 0.00 O ATOM 908 CB PHE A 63 -10.295 2.307 -1.493 1.00 0.00 C ATOM 909 CG PHE A 63 -9.261 2.786 -0.503 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.521 2.708 0.870 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.040 3.292 -0.959 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.559 3.140 1.790 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.076 3.724 -0.040 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.336 3.649 1.335 1.00 0.00 C ATOM 0 H PHE A 63 -9.525 0.976 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.728 0.400 -0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.108 2.740 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.290 2.629 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.464 2.314 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.841 3.350 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.759 3.081 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.132 4.115 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.593 3.984 2.044 1.00 0.00 H new ATOM 924 N LYS A 64 -11.879 -0.771 -2.438 1.00 0.00 N ATOM 925 CA LYS A 64 -13.244 -1.373 -2.496 1.00 0.00 C ATOM 926 C LYS A 64 -13.270 -2.542 -3.481 1.00 0.00 C ATOM 927 O LYS A 64 -13.712 -3.627 -3.159 1.00 0.00 O ATOM 928 CB LYS A 64 -14.248 -0.310 -2.950 1.00 0.00 C ATOM 929 CG LYS A 64 -15.669 -0.873 -2.856 1.00 0.00 C ATOM 930 CD LYS A 64 -16.005 -1.186 -1.397 1.00 0.00 C ATOM 931 CE LYS A 64 -17.509 -1.011 -1.172 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.912 -1.720 0.076 1.00 0.00 N ATOM 0 H LYS A 64 -11.195 -1.173 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.510 -1.739 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.157 0.580 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.033 -0.006 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.383 -0.153 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.753 -1.776 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.706 -2.206 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.448 -0.524 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.755 0.048 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.063 -1.407 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.764 -1.273 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.113 -2.717 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.140 -1.665 0.771 1.00 0.00 H new ATOM 946 N ASP A 65 -12.823 -2.324 -4.684 1.00 0.00 N ATOM 947 CA ASP A 65 -12.844 -3.415 -5.698 1.00 0.00 C ATOM 948 C ASP A 65 -11.801 -4.488 -5.369 1.00 0.00 C ATOM 949 O ASP A 65 -11.747 -5.516 -6.016 1.00 0.00 O ATOM 950 CB ASP A 65 -12.543 -2.825 -7.077 1.00 0.00 C ATOM 951 CG ASP A 65 -13.688 -1.902 -7.497 1.00 0.00 C ATOM 952 OD1 ASP A 65 -14.140 -1.134 -6.664 1.00 0.00 O ATOM 953 OD2 ASP A 65 -14.096 -1.980 -8.644 1.00 0.00 O ATOM 0 H ASP A 65 -12.443 -1.436 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.831 -3.877 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.605 -2.270 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.419 -3.625 -7.807 1.00 0.00 H new ATOM 958 N VAL A 66 -10.967 -4.276 -4.383 1.00 0.00 N ATOM 959 CA VAL A 66 -9.949 -5.300 -4.056 1.00 0.00 C ATOM 960 C VAL A 66 -10.060 -5.657 -2.589 1.00 0.00 C ATOM 961 O VAL A 66 -10.287 -6.790 -2.210 1.00 0.00 O ATOM 962 CB VAL A 66 -8.561 -4.718 -4.279 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.534 -5.840 -4.240 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.482 -4.015 -5.628 1.00 0.00 C ATOM 0 H VAL A 66 -10.952 -3.441 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.107 -6.176 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.357 -3.992 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.538 -5.427 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.571 -6.334 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.756 -6.564 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.481 -3.606 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.696 -4.729 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.212 -3.206 -5.660 1.00 0.00 H new ATOM 974 N ALA A 67 -9.870 -4.679 -1.765 1.00 0.00 N ATOM 975 CA ALA A 67 -9.919 -4.893 -0.309 1.00 0.00 C ATOM 976 C ALA A 67 -11.192 -4.245 0.256 1.00 0.00 C ATOM 977 O ALA A 67 -11.252 -3.038 0.386 1.00 0.00 O ATOM 978 CB ALA A 67 -8.691 -4.224 0.283 1.00 0.00 C ATOM 0 H ALA A 67 -9.678 -3.718 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.933 -5.955 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.689 -4.359 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.792 -4.672 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.709 -3.159 0.051 1.00 0.00 H new ATOM 984 N PRO A 68 -12.182 -5.056 0.573 1.00 0.00 N ATOM 985 CA PRO A 68 -13.463 -4.552 1.110 1.00 0.00 C ATOM 986 C PRO A 68 -13.339 -4.136 2.582 1.00 0.00 C ATOM 987 O PRO A 68 -14.322 -3.823 3.224 1.00 0.00 O ATOM 988 CB PRO A 68 -14.411 -5.744 0.957 1.00 0.00 C ATOM 989 CG PRO A 68 -13.522 -7.007 0.881 1.00 0.00 C ATOM 990 CD PRO A 68 -12.125 -6.534 0.439 1.00 0.00 C ATOM 0 HA PRO A 68 -13.808 -3.659 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.098 -5.804 1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.019 -5.643 0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.474 -7.506 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.930 -7.726 0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.343 -6.961 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.909 -6.833 -0.587 1.00 0.00 H new ATOM 998 N CYS A 69 -12.153 -4.128 3.128 1.00 0.00 N ATOM 999 CA CYS A 69 -12.004 -3.731 4.554 1.00 0.00 C ATOM 1000 C CYS A 69 -11.329 -2.350 4.645 1.00 0.00 C ATOM 1001 O CYS A 69 -11.409 -1.676 5.652 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.165 -4.799 5.290 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.389 -4.550 4.998 1.00 0.00 S ATOM 0 H CYS A 69 -11.287 -4.378 2.650 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.985 -3.663 5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.371 -4.754 6.359 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.457 -5.793 4.951 1.00 0.00 H new ATOM 1008 N THR A 70 -10.644 -1.940 3.608 1.00 0.00 N ATOM 1009 CA THR A 70 -9.948 -0.621 3.652 1.00 0.00 C ATOM 1010 C THR A 70 -10.945 0.521 3.448 1.00 0.00 C ATOM 1011 O THR A 70 -10.583 1.679 3.501 1.00 0.00 O ATOM 1012 CB THR A 70 -8.876 -0.569 2.562 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.498 -0.502 1.289 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.994 -1.817 2.658 1.00 0.00 C ATOM 0 H THR A 70 -10.537 -2.460 2.737 1.00 0.00 H new ATOM 0 HA THR A 70 -9.481 -0.505 4.630 1.00 0.00 H new ATOM 0 HB THR A 70 -8.254 0.316 2.697 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.973 -1.341 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.229 -1.783 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.516 -1.851 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.608 -2.708 2.523 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.193 0.214 3.220 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.195 1.299 3.026 1.00 0.00 C ATOM 1024 C ASP A 71 -13.769 1.702 4.387 1.00 0.00 C ATOM 1025 O ASP A 71 -14.966 1.687 4.598 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.323 0.808 2.115 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.864 -0.522 2.643 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.884 -0.693 3.851 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.251 -1.346 1.831 1.00 0.00 O ATOM 0 H ASP A 71 -12.560 -0.736 3.160 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.714 2.160 2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.122 1.548 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.954 0.684 1.097 1.00 0.00 H new ATOM 1034 N SER A 72 -12.920 2.061 5.309 1.00 0.00 N ATOM 1035 CA SER A 72 -13.400 2.467 6.660 1.00 0.00 C ATOM 1036 C SER A 72 -12.858 3.866 6.987 1.00 0.00 C ATOM 1037 O SER A 72 -12.091 4.414 6.220 1.00 0.00 O ATOM 1038 CB SER A 72 -12.900 1.466 7.706 1.00 0.00 C ATOM 1039 OG SER A 72 -12.181 0.423 7.061 1.00 0.00 O ATOM 0 H SER A 72 -11.908 2.091 5.184 1.00 0.00 H new ATOM 0 HA SER A 72 -14.490 2.483 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.259 1.970 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.742 1.052 8.260 1.00 0.00 H new ATOM 0 HG SER A 72 -11.458 0.114 7.646 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.273 4.412 8.113 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.836 5.753 8.546 1.00 0.00 C ATOM 1047 C PRO A 73 -11.416 5.715 9.131 1.00 0.00 C ATOM 1048 O PRO A 73 -10.867 6.732 9.503 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.859 6.138 9.619 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.464 4.815 10.143 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.207 3.752 9.057 1.00 0.00 C ATOM 0 HA PRO A 73 -12.794 6.466 7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.383 6.694 10.427 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.634 6.781 9.203 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.002 4.525 11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.532 4.925 10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.771 2.847 9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.132 3.458 8.561 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.814 4.557 9.214 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.439 4.478 9.770 1.00 0.00 C ATOM 1061 C GLU A 74 -8.447 4.190 8.641 1.00 0.00 C ATOM 1062 O GLU A 74 -7.287 4.536 8.716 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.368 3.368 10.812 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.507 3.544 11.819 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.389 2.487 12.921 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.882 1.415 12.634 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.808 2.768 14.031 1.00 0.00 O ATOM 0 H GLU A 74 -11.217 3.667 8.921 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.185 5.427 10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.443 2.394 10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.407 3.396 11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.470 4.543 12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.469 3.452 11.315 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.903 3.573 7.587 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.997 3.286 6.440 1.00 0.00 C ATOM 1076 C PHE A 75 -8.294 4.318 5.353 1.00 0.00 C ATOM 1077 O PHE A 75 -7.521 5.230 5.113 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.257 1.873 5.904 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.982 1.330 5.304 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.474 1.887 4.124 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.299 0.278 5.931 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.288 1.394 3.569 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.110 -0.215 5.375 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.605 0.344 4.194 1.00 0.00 C ATOM 0 H PHE A 75 -9.865 3.255 7.470 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.954 3.343 6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.601 1.223 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.047 1.895 5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.998 2.698 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.689 -0.152 6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.899 1.824 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.584 -1.025 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.689 -0.035 3.766 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.434 4.218 4.722 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.783 5.227 3.692 1.00 0.00 C ATOM 1096 C TYR A 76 -10.075 6.550 4.401 1.00 0.00 C ATOM 1097 O TYR A 76 -10.072 7.594 3.795 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.014 4.782 2.901 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.169 5.666 1.684 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.096 5.832 0.796 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.383 6.319 1.443 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.240 6.652 -0.332 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.526 7.139 0.316 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.455 7.304 -0.570 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.597 8.114 -1.678 1.00 0.00 O ATOM 0 H TYR A 76 -10.129 3.488 4.876 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.954 5.342 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.909 3.740 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.905 4.844 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.159 5.328 0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.210 6.191 2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.414 6.780 -1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.463 7.644 0.131 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.502 8.489 -1.695 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.320 6.507 5.688 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.591 7.758 6.450 1.00 0.00 C ATOM 1117 C GLY A 77 -9.359 8.656 6.408 1.00 0.00 C ATOM 1118 O GLY A 77 -9.400 9.767 5.917 1.00 0.00 O ATOM 0 H GLY A 77 -10.343 5.652 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.448 8.278 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.845 7.520 7.483 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.262 8.182 6.931 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.023 9.012 6.931 1.00 0.00 C ATOM 1124 C LYS A 78 -6.589 9.276 5.497 1.00 0.00 C ATOM 1125 O LYS A 78 -5.798 10.152 5.235 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.911 8.295 7.708 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.492 7.603 8.956 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.603 8.461 9.584 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.569 8.325 11.108 1.00 0.00 C ATOM 1130 NZ LYS A 78 -6.666 9.362 11.686 1.00 0.00 N ATOM 0 H LYS A 78 -8.169 7.260 7.357 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.224 9.965 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.427 7.558 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.145 9.011 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.890 6.625 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.700 7.433 9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.472 9.505 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.575 8.147 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.574 8.437 11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.221 7.330 11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.646 9.266 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.706 9.236 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.016 10.308 11.433 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.107 8.531 4.566 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.752 8.751 3.148 1.00 0.00 C ATOM 1146 C PHE A 79 -7.560 9.931 2.625 1.00 0.00 C ATOM 1147 O PHE A 79 -7.068 10.739 1.883 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.097 7.494 2.364 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.944 7.709 0.870 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.930 8.410 0.158 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.839 7.179 0.187 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.809 8.576 -1.229 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.726 7.349 -1.191 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.706 8.040 -1.899 1.00 0.00 C ATOM 0 H PHE A 79 -7.768 7.772 4.732 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.688 8.965 3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.450 6.677 2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.121 7.195 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.782 8.822 0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.077 6.640 0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.566 9.116 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.873 6.942 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.613 8.162 -2.968 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.790 10.047 3.031 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.612 11.185 2.581 1.00 0.00 C ATOM 1166 C LYS A 80 -9.206 12.425 3.377 1.00 0.00 C ATOM 1167 O LYS A 80 -9.617 13.530 3.083 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.089 10.880 2.827 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.728 10.363 1.536 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.394 11.523 0.794 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.881 11.218 0.597 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.135 10.871 -0.830 1.00 0.00 N ATOM 0 H LYS A 80 -9.259 9.395 3.660 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.457 11.358 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.191 10.137 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.605 11.778 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.971 9.900 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.465 9.594 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.273 12.447 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.912 11.675 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.182 10.392 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.481 12.082 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.090 10.470 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.059 11.728 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.433 10.172 -1.148 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.389 12.247 4.382 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.941 13.416 5.191 1.00 0.00 C ATOM 1188 C GLU A 81 -6.600 13.878 4.643 1.00 0.00 C ATOM 1189 O GLU A 81 -6.332 15.056 4.510 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.788 13.004 6.657 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.022 12.213 7.097 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.699 12.930 8.267 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.158 14.043 8.069 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -9.747 12.352 9.340 1.00 0.00 O ATOM 0 H GLU A 81 -8.014 11.345 4.676 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.673 14.221 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.891 12.398 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.667 13.888 7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.719 12.114 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.734 11.204 7.393 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.766 12.942 4.297 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.440 13.291 3.722 1.00 0.00 C ATOM 1203 C GLY A 82 -4.675 13.916 2.352 1.00 0.00 C ATOM 1204 O GLY A 82 -4.051 14.886 1.977 1.00 0.00 O ATOM 0 H GLY A 82 -5.947 11.942 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.912 13.987 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.816 12.402 3.634 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.591 13.361 1.607 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.903 13.913 0.258 1.00 0.00 C ATOM 1210 C VAL A 83 -6.376 15.364 0.396 1.00 0.00 C ATOM 1211 O VAL A 83 -6.033 16.218 -0.397 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.028 13.092 -0.385 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.355 13.663 -1.766 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.595 11.632 -0.530 1.00 0.00 C ATOM 0 H VAL A 83 -6.140 12.544 1.876 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.007 13.869 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.911 13.143 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.154 13.079 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.676 14.700 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.468 13.618 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.400 11.057 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.707 11.577 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.369 11.220 0.454 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.179 15.643 1.389 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.696 17.032 1.571 1.00 0.00 C ATOM 1226 C ALA A 84 -6.745 17.856 2.446 1.00 0.00 C ATOM 1227 O ALA A 84 -6.946 19.039 2.640 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.068 16.972 2.242 1.00 0.00 C ATOM 0 H ALA A 84 -7.500 14.968 2.083 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.772 17.508 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.451 17.983 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.755 16.405 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.977 16.485 3.213 1.00 0.00 H new ATOM 1234 N SER A 85 -5.717 17.255 2.982 1.00 0.00 N ATOM 1235 CA SER A 85 -4.778 18.032 3.843 1.00 0.00 C ATOM 1236 C SER A 85 -3.530 18.413 3.043 1.00 0.00 C ATOM 1237 O SER A 85 -2.798 19.312 3.410 1.00 0.00 O ATOM 1238 CB SER A 85 -4.371 17.184 5.049 1.00 0.00 C ATOM 1239 OG SER A 85 -3.414 16.215 4.642 1.00 0.00 O ATOM 0 H SER A 85 -5.487 16.268 2.863 1.00 0.00 H new ATOM 0 HA SER A 85 -5.275 18.940 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.953 17.819 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.246 16.692 5.473 1.00 0.00 H new ATOM 0 HG SER A 85 -3.675 15.842 3.774 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.273 17.738 1.954 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.069 18.068 1.142 1.00 0.00 C ATOM 1247 C GLY A 86 -0.826 17.455 1.793 1.00 0.00 C ATOM 1248 O GLY A 86 0.290 17.829 1.491 1.00 0.00 O ATOM 0 H GLY A 86 -3.845 16.974 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.186 17.686 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.955 19.149 1.065 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.006 16.518 2.687 1.00 0.00 N ATOM 1253 CA ASN A 87 0.170 15.892 3.354 1.00 0.00 C ATOM 1254 C ASN A 87 -0.213 14.496 3.851 1.00 0.00 C ATOM 1255 O ASN A 87 -0.117 14.194 5.023 1.00 0.00 O ATOM 1256 CB ASN A 87 0.600 16.756 4.541 1.00 0.00 C ATOM 1257 CG ASN A 87 1.135 18.096 4.030 1.00 0.00 C ATOM 1258 OD1 ASN A 87 0.558 19.132 4.292 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.221 18.118 3.308 1.00 0.00 N ATOM 0 H ASN A 87 -1.915 16.161 2.982 1.00 0.00 H new ATOM 0 HA ASN A 87 0.994 15.813 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.245 16.921 5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.368 16.242 5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.586 19.006 2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.705 17.247 3.088 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.647 13.646 2.965 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.038 12.269 3.378 1.00 0.00 C ATOM 1268 C LEU A 88 0.132 11.591 4.082 1.00 0.00 C ATOM 1269 O LEU A 88 1.152 11.324 3.487 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.429 11.457 2.143 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.473 10.413 2.533 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.646 10.477 1.553 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.843 9.020 2.486 1.00 0.00 C ATOM 0 H LEU A 88 -0.748 13.845 1.970 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.886 12.325 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.828 12.116 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.550 10.969 1.722 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.831 10.615 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.392 9.732 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.094 11.470 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.288 10.274 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.588 8.274 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.485 8.816 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.007 8.975 3.183 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.011 11.309 5.348 1.00 0.00 N ATOM 1286 CA ASN A 89 1.087 10.640 6.100 1.00 0.00 C ATOM 1287 C ASN A 89 0.512 10.018 7.375 1.00 0.00 C ATOM 1288 O ASN A 89 0.555 10.609 8.435 1.00 0.00 O ATOM 1289 CB ASN A 89 2.158 11.670 6.468 1.00 0.00 C ATOM 1290 CG ASN A 89 3.343 10.962 7.127 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.608 9.809 6.850 1.00 0.00 O ATOM 1292 ND2 ASN A 89 4.074 11.609 7.994 1.00 0.00 N ATOM 0 H ASN A 89 -0.846 11.515 5.896 1.00 0.00 H new ATOM 0 HA ASN A 89 1.536 9.862 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.489 12.201 5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.743 12.415 7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.867 11.147 8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.852 12.577 8.227 1.00 0.00 H new ATOM 1299 N THR A 90 -0.036 8.836 7.284 1.00 0.00 N ATOM 1300 CA THR A 90 -0.620 8.201 8.502 1.00 0.00 C ATOM 1301 C THR A 90 -0.282 6.709 8.526 1.00 0.00 C ATOM 1302 O THR A 90 0.274 6.170 7.593 1.00 0.00 O ATOM 1303 CB THR A 90 -2.142 8.385 8.487 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.714 7.699 9.592 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.716 7.823 7.185 1.00 0.00 C ATOM 0 H THR A 90 -0.105 8.286 6.428 1.00 0.00 H new ATOM 0 HA THR A 90 -0.202 8.673 9.391 1.00 0.00 H new ATOM 0 HB THR A 90 -2.377 9.447 8.557 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.606 8.061 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.798 7.955 7.177 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.280 8.351 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.480 6.761 7.112 1.00 0.00 H new ATOM 1313 N MET A 91 -0.619 6.039 9.596 1.00 0.00 N ATOM 1314 CA MET A 91 -0.331 4.581 9.701 1.00 0.00 C ATOM 1315 C MET A 91 -1.280 3.972 10.736 1.00 0.00 C ATOM 1316 O MET A 91 -1.987 4.680 11.426 1.00 0.00 O ATOM 1317 CB MET A 91 1.120 4.374 10.144 1.00 0.00 C ATOM 1318 CG MET A 91 1.422 5.270 11.348 1.00 0.00 C ATOM 1319 SD MET A 91 3.213 5.370 11.591 1.00 0.00 S ATOM 1320 CE MET A 91 3.195 5.398 13.401 1.00 0.00 C ATOM 0 H MET A 91 -1.085 6.444 10.408 1.00 0.00 H new ATOM 0 HA MET A 91 -0.476 4.100 8.734 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.286 3.329 10.405 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.798 4.609 9.324 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.010 6.266 11.186 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.945 4.869 12.242 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.217 5.459 13.774 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.631 6.264 13.746 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.726 4.488 13.774 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.309 2.671 10.860 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.229 2.055 11.866 1.00 0.00 C ATOM 1332 C PHE A 92 -2.127 0.530 11.822 1.00 0.00 C ATOM 1333 O PHE A 92 -1.679 -0.047 10.857 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.677 2.473 11.576 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.967 2.337 10.101 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.156 1.070 9.535 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.045 3.478 9.296 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.416 0.945 8.166 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.310 3.355 7.927 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.495 2.089 7.361 1.00 0.00 C ATOM 0 H PHE A 92 -0.746 2.015 10.318 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.938 2.404 12.857 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.365 1.852 12.149 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.837 3.503 11.893 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.101 0.188 10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.901 4.456 9.731 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.556 -0.033 7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.372 4.238 7.308 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.698 1.994 6.305 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.559 -0.128 12.861 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.504 -1.615 12.873 1.00 0.00 C ATOM 1352 C GLU A 93 -3.795 -2.145 12.252 1.00 0.00 C ATOM 1353 O GLU A 93 -4.862 -2.022 12.820 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.380 -2.116 14.314 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.837 -3.548 14.309 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.466 -4.337 15.460 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -2.383 -3.874 16.585 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -3.016 -5.393 15.195 1.00 0.00 O ATOM 0 H GLU A 93 -2.947 0.300 13.702 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.641 -1.965 12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.715 -1.465 14.881 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.352 -2.085 14.806 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.062 -4.030 13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.752 -3.537 14.412 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.716 -2.718 11.085 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.950 -3.231 10.434 1.00 0.00 C ATOM 1367 C TYR A 94 -4.911 -4.756 10.365 1.00 0.00 C ATOM 1368 O TYR A 94 -3.956 -5.388 10.773 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.053 -2.661 9.016 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.467 -2.201 8.760 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.925 -1.001 9.318 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.321 -2.975 7.966 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.239 -0.575 9.081 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.634 -2.548 7.729 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.093 -1.349 8.287 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.387 -0.930 8.054 1.00 0.00 O ATOM 0 H TYR A 94 -2.854 -2.853 10.556 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.816 -2.922 11.019 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.361 -1.827 8.897 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.768 -3.419 8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.266 -0.404 9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.968 -3.901 7.536 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.593 0.350 9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.293 -3.144 7.115 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.682 -1.252 7.177 1.00 0.00 H new ATOM 1386 N THR A 95 -5.947 -5.344 9.842 1.00 0.00 N ATOM 1387 CA THR A 95 -5.996 -6.824 9.727 1.00 0.00 C ATOM 1388 C THR A 95 -6.662 -7.191 8.403 1.00 0.00 C ATOM 1389 O THR A 95 -7.855 -7.035 8.233 1.00 0.00 O ATOM 1390 CB THR A 95 -6.807 -7.407 10.887 1.00 0.00 C ATOM 1391 OG1 THR A 95 -6.162 -7.101 12.116 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.911 -8.925 10.726 1.00 0.00 C ATOM 0 H THR A 95 -6.770 -4.857 9.486 1.00 0.00 H new ATOM 0 HA THR A 95 -4.985 -7.231 9.762 1.00 0.00 H new ATOM 0 HB THR A 95 -7.807 -6.974 10.885 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.681 -7.472 12.859 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.489 -9.340 11.552 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.407 -9.158 9.784 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.912 -9.360 10.727 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.904 -7.675 7.464 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.500 -8.049 6.150 1.00 0.00 C ATOM 1402 C PHE A 96 -7.023 -9.482 6.226 1.00 0.00 C ATOM 1403 O PHE A 96 -6.284 -10.406 6.500 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.441 -7.955 5.045 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.876 -6.548 4.941 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.537 -5.455 5.529 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.682 -6.341 4.240 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.000 -4.166 5.413 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.147 -5.054 4.126 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.805 -3.967 4.713 1.00 0.00 C ATOM 0 H PHE A 96 -4.899 -7.829 7.546 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.317 -7.365 5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.635 -8.659 5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.881 -8.244 4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.459 -5.609 6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.172 -7.178 3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.508 -3.326 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.225 -4.899 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.390 -2.974 4.626 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.289 -9.678 5.988 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.843 -11.056 6.055 1.00 0.00 C ATOM 1422 C ASP A 97 -10.082 -11.166 5.168 1.00 0.00 C ATOM 1423 O ASP A 97 -11.102 -11.683 5.578 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.220 -11.384 7.502 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.540 -12.876 7.627 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.733 -13.510 6.602 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -9.587 -13.359 8.745 1.00 0.00 O ATOM 0 H ASP A 97 -8.960 -8.947 5.751 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.090 -11.761 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.400 -11.121 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.082 -10.791 7.807 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.001 -10.715 3.945 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.179 -10.835 3.043 1.00 0.00 C ATOM 1434 C TYR A 98 -11.214 -12.267 2.537 1.00 0.00 C ATOM 1435 O TYR A 98 -10.169 -12.850 2.364 1.00 0.00 O ATOM 1436 CB TYR A 98 -11.041 -9.868 1.843 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.853 -10.248 0.965 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.879 -11.424 0.187 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.717 -9.425 0.935 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.781 -11.768 -0.602 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.618 -9.773 0.134 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.651 -10.943 -0.632 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.568 -11.287 -1.414 1.00 0.00 O ATOM 0 H TYR A 98 -9.178 -10.273 3.536 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.094 -10.582 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.956 -9.886 1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.917 -8.848 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.752 -12.060 0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.688 -8.523 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.803 -12.673 -1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.746 -9.137 0.109 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.485 -12.263 -1.447 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.397 -12.810 2.284 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.565 -14.220 1.745 1.00 0.00 C ATOM 1455 C GLN A 99 -11.206 -14.933 1.587 1.00 0.00 C ATOM 1456 O GLN A 99 -10.738 -15.186 0.495 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.286 -14.114 0.389 1.00 0.00 C ATOM 1458 CG GLN A 99 -13.209 -15.436 -0.379 1.00 0.00 C ATOM 1459 CD GLN A 99 -14.519 -15.670 -1.134 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -15.487 -16.134 -0.564 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.591 -15.366 -2.401 1.00 0.00 N ATOM 0 H GLN A 99 -13.279 -12.320 2.433 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.149 -14.817 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -14.330 -13.842 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.836 -13.318 -0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.374 -15.413 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.024 -16.259 0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.778 -14.977 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -15.460 -15.518 -2.913 1.00 0.00 H new ATOM 1470 N MET A 100 -10.558 -15.207 2.681 1.00 0.00 N ATOM 1471 CA MET A 100 -9.218 -15.849 2.620 1.00 0.00 C ATOM 1472 C MET A 100 -8.685 -16.009 4.051 1.00 0.00 C ATOM 1473 O MET A 100 -9.444 -16.172 4.985 1.00 0.00 O ATOM 1474 CB MET A 100 -8.272 -14.948 1.806 1.00 0.00 C ATOM 1475 CG MET A 100 -7.331 -15.817 0.967 1.00 0.00 C ATOM 1476 SD MET A 100 -6.589 -14.812 -0.343 1.00 0.00 S ATOM 1477 CE MET A 100 -5.552 -13.777 0.721 1.00 0.00 C ATOM 0 H MET A 100 -10.901 -15.013 3.622 1.00 0.00 H new ATOM 0 HA MET A 100 -9.283 -16.827 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.849 -14.289 1.158 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.695 -14.311 2.476 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.552 -16.243 1.599 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.881 -16.652 0.532 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.771 -12.726 0.532 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.758 -14.008 1.766 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.501 -13.973 0.507 1.00 0.00 H new ATOM 1487 N THR A 101 -7.392 -15.955 4.238 1.00 0.00 N ATOM 1488 CA THR A 101 -6.837 -16.096 5.616 1.00 0.00 C ATOM 1489 C THR A 101 -6.564 -14.700 6.197 1.00 0.00 C ATOM 1490 O THR A 101 -6.625 -13.721 5.480 1.00 0.00 O ATOM 1491 CB THR A 101 -5.529 -16.893 5.566 1.00 0.00 C ATOM 1492 OG1 THR A 101 -5.123 -17.054 4.213 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.737 -18.266 6.205 1.00 0.00 C ATOM 0 H THR A 101 -6.700 -15.820 3.501 1.00 0.00 H new ATOM 0 HA THR A 101 -7.555 -16.622 6.245 1.00 0.00 H new ATOM 0 HB THR A 101 -4.757 -16.354 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.286 -17.562 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.805 -18.830 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.044 -18.141 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.511 -18.807 5.660 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.274 -14.640 7.481 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.992 -13.362 8.164 1.00 0.00 C ATOM 1503 C PRO A 102 -4.568 -12.881 7.856 1.00 0.00 C ATOM 1504 O PRO A 102 -3.691 -13.663 7.540 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.143 -13.707 9.650 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.939 -15.235 9.768 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.198 -15.825 8.368 1.00 0.00 C ATOM 0 HA PRO A 102 -6.654 -12.556 7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.408 -13.170 10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.127 -13.417 10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.928 -15.466 10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.624 -15.662 10.501 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.396 -16.498 8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.123 -16.401 8.344 1.00 0.00 H new ATOM 1515 N THR A 103 -4.332 -11.598 7.950 1.00 0.00 N ATOM 1516 CA THR A 103 -2.970 -11.059 7.669 1.00 0.00 C ATOM 1517 C THR A 103 -2.732 -9.814 8.527 1.00 0.00 C ATOM 1518 O THR A 103 -3.077 -8.716 8.144 1.00 0.00 O ATOM 1519 CB THR A 103 -2.852 -10.690 6.176 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.557 -11.862 5.428 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.733 -9.650 5.957 1.00 0.00 C ATOM 0 H THR A 103 -5.027 -10.899 8.210 1.00 0.00 H new ATOM 0 HA THR A 103 -2.224 -11.816 7.909 1.00 0.00 H new ATOM 0 HB THR A 103 -3.797 -10.260 5.845 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.787 -12.654 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.667 -9.404 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.958 -8.748 6.526 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.782 -10.063 6.293 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.120 -9.964 9.660 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.845 -8.770 10.499 1.00 0.00 C ATOM 1531 C LYS A 104 -0.780 -7.933 9.800 1.00 0.00 C ATOM 1532 O LYS A 104 0.129 -8.468 9.204 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.315 -9.204 11.868 1.00 0.00 C ATOM 1534 CG LYS A 104 -0.041 -10.035 11.692 1.00 0.00 C ATOM 1535 CD LYS A 104 0.400 -10.589 13.050 1.00 0.00 C ATOM 1536 CE LYS A 104 -0.521 -11.742 13.458 1.00 0.00 C ATOM 1537 NZ LYS A 104 0.267 -13.006 13.531 1.00 0.00 N ATOM 0 H LYS A 104 -1.799 -10.854 10.042 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.761 -8.196 10.637 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.107 -8.328 12.482 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.071 -9.788 12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.221 -10.853 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.751 -9.420 11.264 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.432 -10.936 12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.369 -9.801 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.980 -11.531 14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.331 -11.847 12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.358 -13.789 13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.685 -13.209 12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.025 -12.902 14.235 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.878 -6.634 9.858 1.00 0.00 N ATOM 1552 CA VAL A 105 0.154 -5.796 9.185 1.00 0.00 C ATOM 1553 C VAL A 105 0.227 -4.404 9.820 1.00 0.00 C ATOM 1554 O VAL A 105 -0.780 -3.791 10.117 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.201 -5.616 7.698 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.455 -6.982 7.056 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.460 -4.742 7.550 1.00 0.00 C ATOM 0 H VAL A 105 -1.619 -6.121 10.336 1.00 0.00 H new ATOM 0 HA VAL A 105 1.113 -6.303 9.294 1.00 0.00 H new ATOM 0 HB VAL A 105 0.634 -5.126 7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.706 -6.848 6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.442 -7.596 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.282 -7.476 7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.699 -4.624 6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.297 -5.220 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.277 -3.763 7.993 1.00 0.00 H new ATOM 1567 N LYS A 106 1.404 -3.867 9.937 1.00 0.00 N ATOM 1568 CA LYS A 106 1.529 -2.475 10.443 1.00 0.00 C ATOM 1569 C LYS A 106 1.593 -1.632 9.182 1.00 0.00 C ATOM 1570 O LYS A 106 2.504 -1.759 8.409 1.00 0.00 O ATOM 1571 CB LYS A 106 2.798 -2.290 11.289 1.00 0.00 C ATOM 1572 CG LYS A 106 4.037 -2.704 10.496 1.00 0.00 C ATOM 1573 CD LYS A 106 4.802 -3.778 11.271 1.00 0.00 C ATOM 1574 CE LYS A 106 5.540 -3.125 12.441 1.00 0.00 C ATOM 1575 NZ LYS A 106 7.005 -3.142 12.176 1.00 0.00 N ATOM 0 H LYS A 106 2.284 -4.329 9.705 1.00 0.00 H new ATOM 0 HA LYS A 106 0.702 -2.200 11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.888 -1.248 11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.726 -2.886 12.199 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.745 -3.085 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.677 -1.839 10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.113 -4.538 11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.511 -4.282 10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.196 -2.099 12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.321 -3.658 13.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.507 -2.698 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.327 -4.125 12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.206 -2.615 11.302 1.00 0.00 H new ATOM 1589 N VAL A 107 0.586 -0.856 8.927 1.00 0.00 N ATOM 1590 CA VAL A 107 0.524 -0.073 7.654 1.00 0.00 C ATOM 1591 C VAL A 107 1.253 1.270 7.773 1.00 0.00 C ATOM 1592 O VAL A 107 1.451 1.800 8.852 1.00 0.00 O ATOM 1593 CB VAL A 107 -0.983 0.185 7.325 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.820 -1.035 7.704 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.511 1.400 8.112 1.00 0.00 C ATOM 0 H VAL A 107 -0.211 -0.724 9.550 1.00 0.00 H new ATOM 0 HA VAL A 107 1.015 -0.642 6.864 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.063 0.378 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.868 -0.844 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.475 -1.902 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.716 -1.230 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.561 1.563 7.869 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.411 1.213 9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.935 2.286 7.843 1.00 0.00 H new ATOM 1605 N HIS A 108 1.559 1.847 6.646 1.00 0.00 N ATOM 1606 CA HIS A 108 2.188 3.194 6.613 1.00 0.00 C ATOM 1607 C HIS A 108 1.965 3.765 5.217 1.00 0.00 C ATOM 1608 O HIS A 108 2.617 3.378 4.279 1.00 0.00 O ATOM 1609 CB HIS A 108 3.684 3.109 6.907 1.00 0.00 C ATOM 1610 CG HIS A 108 4.180 4.479 7.276 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.427 4.686 7.841 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.602 5.723 7.175 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.560 6.007 8.060 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.476 6.685 7.672 1.00 0.00 N ATOM 0 H HIS A 108 1.396 1.433 5.728 1.00 0.00 H new ATOM 0 HA HIS A 108 1.742 3.832 7.375 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.870 2.408 7.720 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.220 2.735 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.620 5.923 6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.436 6.464 8.496 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.322 7.692 7.728 1.00 0.00 H new ATOM 1622 N MET A 109 1.020 4.655 5.072 1.00 0.00 N ATOM 1623 CA MET A 109 0.713 5.230 3.723 1.00 0.00 C ATOM 1624 C MET A 109 1.093 6.715 3.703 1.00 0.00 C ATOM 1625 O MET A 109 1.000 7.390 4.710 1.00 0.00 O ATOM 1626 CB MET A 109 -0.799 5.109 3.433 1.00 0.00 C ATOM 1627 CG MET A 109 -1.444 3.988 4.270 1.00 0.00 C ATOM 1628 SD MET A 109 -3.245 4.100 4.127 1.00 0.00 S ATOM 1629 CE MET A 109 -3.491 5.404 5.357 1.00 0.00 C ATOM 0 H MET A 109 0.442 5.013 5.833 1.00 0.00 H new ATOM 0 HA MET A 109 1.280 4.684 2.969 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.290 6.057 3.652 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.953 4.908 2.373 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.099 3.014 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.144 4.078 5.314 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.539 5.429 5.656 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.870 5.203 6.230 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.213 6.366 4.928 1.00 0.00 H new ATOM 1639 N LYS A 110 1.512 7.246 2.576 1.00 0.00 N ATOM 1640 CA LYS A 110 1.871 8.698 2.550 1.00 0.00 C ATOM 1641 C LYS A 110 1.331 9.321 1.262 1.00 0.00 C ATOM 1642 O LYS A 110 0.510 8.740 0.585 1.00 0.00 O ATOM 1643 CB LYS A 110 3.395 8.840 2.610 1.00 0.00 C ATOM 1644 CG LYS A 110 3.796 10.045 3.466 1.00 0.00 C ATOM 1645 CD LYS A 110 5.285 10.334 3.265 1.00 0.00 C ATOM 1646 CE LYS A 110 5.615 11.718 3.828 1.00 0.00 C ATOM 1647 NZ LYS A 110 5.627 12.716 2.722 1.00 0.00 N ATOM 0 H LYS A 110 1.619 6.748 1.692 1.00 0.00 H new ATOM 0 HA LYS A 110 1.433 9.211 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.833 7.932 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.794 8.955 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.204 10.917 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.592 9.843 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.885 9.574 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.535 10.291 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.878 12.001 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.585 11.698 4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.851 13.656 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.346 12.448 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.692 12.742 2.267 1.00 0.00 H new ATOM 1661 N LYS A 111 1.780 10.494 0.914 1.00 0.00 N ATOM 1662 CA LYS A 111 1.281 11.130 -0.336 1.00 0.00 C ATOM 1663 C LYS A 111 2.383 11.087 -1.389 1.00 0.00 C ATOM 1664 O LYS A 111 3.275 11.913 -1.402 1.00 0.00 O ATOM 1665 CB LYS A 111 0.896 12.585 -0.062 1.00 0.00 C ATOM 1666 CG LYS A 111 0.396 13.229 -1.358 1.00 0.00 C ATOM 1667 CD LYS A 111 1.174 14.518 -1.622 1.00 0.00 C ATOM 1668 CE LYS A 111 0.733 15.119 -2.959 1.00 0.00 C ATOM 1669 NZ LYS A 111 1.627 16.258 -3.310 1.00 0.00 N ATOM 0 H LYS A 111 2.467 11.037 1.437 1.00 0.00 H new ATOM 0 HA LYS A 111 0.404 10.591 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.121 12.630 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.755 13.134 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.523 12.538 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.670 13.444 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.000 15.231 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.244 14.312 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.769 14.360 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.300 15.460 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.198 16.812 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.758 16.866 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.550 15.892 -3.620 1.00 0.00 H new ATOM 1683 N ALA A 112 2.332 10.130 -2.275 1.00 0.00 N ATOM 1684 CA ALA A 112 3.381 10.034 -3.329 1.00 0.00 C ATOM 1685 C ALA A 112 3.539 11.392 -4.015 1.00 0.00 C ATOM 1686 O ALA A 112 2.570 12.006 -4.417 1.00 0.00 O ATOM 1687 CB ALA A 112 2.963 8.999 -4.366 1.00 0.00 C ATOM 0 H ALA A 112 1.610 9.411 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 112 4.326 9.739 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.729 8.927 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.842 8.029 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.018 9.299 -4.819 1.00 0.00 H new ATOM 1693 N LEU A 113 4.742 11.872 -4.151 1.00 0.00 N ATOM 1694 CA LEU A 113 4.931 13.193 -4.810 1.00 0.00 C ATOM 1695 C LEU A 113 5.725 13.016 -6.107 1.00 0.00 C ATOM 1696 O LEU A 113 5.711 13.870 -6.973 1.00 0.00 O ATOM 1697 CB LEU A 113 5.689 14.132 -3.870 1.00 0.00 C ATOM 1698 CG LEU A 113 4.988 14.176 -2.510 1.00 0.00 C ATOM 1699 CD1 LEU A 113 5.730 13.272 -1.523 1.00 0.00 C ATOM 1700 CD2 LEU A 113 4.992 15.612 -1.982 1.00 0.00 C ATOM 0 H LEU A 113 5.596 11.412 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 113 3.956 13.621 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.717 13.790 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.735 15.133 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 113 3.961 13.829 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.231 13.304 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.731 12.248 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.757 13.619 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.493 15.645 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.020 15.956 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.465 16.259 -2.684 1.00 0.00 H new ATOM 1712 N SER A 114 6.418 11.919 -6.253 1.00 0.00 N ATOM 1713 CA SER A 114 7.210 11.694 -7.498 1.00 0.00 C ATOM 1714 C SER A 114 6.302 11.875 -8.717 1.00 0.00 C ATOM 1715 O SER A 114 6.747 12.235 -9.789 1.00 0.00 O ATOM 1716 CB SER A 114 7.773 10.274 -7.492 1.00 0.00 C ATOM 1717 OG SER A 114 9.155 10.318 -7.161 1.00 0.00 O ATOM 0 H SER A 114 6.470 11.168 -5.564 1.00 0.00 H new ATOM 0 HA SER A 114 8.030 12.411 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.234 9.660 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.636 9.812 -8.470 1.00 0.00 H new ATOM 0 HG SER A 114 9.312 9.800 -6.344 1.00 0.00 H new ATOM 1723 N GLY A 115 5.032 11.628 -8.556 1.00 0.00 N ATOM 1724 CA GLY A 115 4.090 11.785 -9.699 1.00 0.00 C ATOM 1725 C GLY A 115 2.995 10.720 -9.612 1.00 0.00 C ATOM 1726 O GLY A 115 2.611 10.133 -10.604 1.00 0.00 O ATOM 0 H GLY A 115 4.605 11.324 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.646 12.780 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.628 11.691 -10.642 1.00 0.00 H new ATOM 1730 N ASP A 116 2.486 10.468 -8.437 1.00 0.00 N ATOM 1731 CA ASP A 116 1.416 9.443 -8.301 1.00 0.00 C ATOM 1732 C ASP A 116 0.218 10.047 -7.557 1.00 0.00 C ATOM 1733 O ASP A 116 -0.684 10.582 -8.170 1.00 0.00 O ATOM 1734 CB ASP A 116 1.954 8.231 -7.535 1.00 0.00 C ATOM 1735 CG ASP A 116 2.404 7.155 -8.527 1.00 0.00 C ATOM 1736 OD1 ASP A 116 1.853 7.110 -9.614 1.00 0.00 O ATOM 1737 OD2 ASP A 116 3.293 6.394 -8.181 1.00 0.00 O ATOM 0 H ASP A 116 2.764 10.926 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 116 1.095 9.120 -9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.790 8.530 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.182 7.833 -6.876 1.00 0.00 H new ATOM 1742 N SER A 117 0.202 9.977 -6.242 1.00 0.00 N ATOM 1743 CA SER A 117 -0.943 10.558 -5.467 1.00 0.00 C ATOM 1744 C SER A 117 -0.932 10.055 -4.014 1.00 0.00 C ATOM 1745 O SER A 117 -0.597 10.782 -3.100 1.00 0.00 O ATOM 1746 CB SER A 117 -2.273 10.156 -6.111 1.00 0.00 C ATOM 1747 OG SER A 117 -2.778 11.250 -6.865 1.00 0.00 O ATOM 0 H SER A 117 0.931 9.544 -5.676 1.00 0.00 H new ATOM 0 HA SER A 117 -0.834 11.643 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.131 9.289 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.990 9.867 -5.343 1.00 0.00 H new ATOM 0 HG SER A 117 -2.183 11.427 -7.623 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.335 8.827 -3.791 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.391 8.284 -2.390 1.00 0.00 C ATOM 1755 C TYR A 118 -0.873 6.844 -2.383 1.00 0.00 C ATOM 1756 O TYR A 118 -1.307 6.027 -3.171 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.858 8.271 -1.916 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.567 9.486 -2.429 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.329 10.737 -1.859 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.454 9.349 -3.492 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.990 11.861 -2.361 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.112 10.463 -3.997 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.883 11.726 -3.434 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.536 12.835 -3.934 1.00 0.00 O ATOM 0 H TYR A 118 -1.629 8.174 -4.517 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.782 8.906 -1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.357 7.370 -2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.898 8.248 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.638 10.836 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.631 8.376 -3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.813 12.832 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.800 10.356 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.117 12.566 -4.676 1.00 0.00 H new ATOM 1774 N TRP A 119 0.036 6.505 -1.500 1.00 0.00 N ATOM 1775 CA TRP A 119 0.524 5.101 -1.481 1.00 0.00 C ATOM 1776 C TRP A 119 0.391 4.472 -0.099 1.00 0.00 C ATOM 1777 O TRP A 119 0.635 5.078 0.914 1.00 0.00 O ATOM 1778 CB TRP A 119 1.947 4.993 -2.046 1.00 0.00 C ATOM 1779 CG TRP A 119 2.925 5.912 -1.397 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.502 6.969 -1.984 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.504 5.814 -0.091 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.403 7.540 -1.108 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.440 6.852 0.085 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.291 4.928 0.938 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.158 6.988 1.270 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 4.003 5.046 2.140 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.940 6.074 2.305 1.00 0.00 C ATOM 0 H TRP A 119 0.450 7.129 -0.808 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.119 4.521 -2.142 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.296 3.967 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.920 5.203 -3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.295 7.319 -2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.968 8.364 -1.317 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.569 4.134 0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.873 7.788 1.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.829 4.343 2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.492 6.160 3.229 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.038 3.238 -0.080 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.239 2.502 1.199 1.00 0.00 C ATOM 1800 C VAL A 120 0.766 1.352 1.277 1.00 0.00 C ATOM 1801 O VAL A 120 0.729 0.427 0.490 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.662 1.925 1.231 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.894 1.195 2.555 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.679 3.058 1.078 1.00 0.00 C ATOM 0 H VAL A 120 -0.262 2.699 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.095 3.180 2.041 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.784 1.220 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.905 0.787 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.173 0.383 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.769 1.894 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.688 2.647 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.558 3.768 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.516 3.567 0.128 1.00 0.00 H new ATOM 1814 N PHE A 121 1.657 1.395 2.225 1.00 0.00 N ATOM 1815 CA PHE A 121 2.654 0.297 2.358 1.00 0.00 C ATOM 1816 C PHE A 121 2.206 -0.642 3.470 1.00 0.00 C ATOM 1817 O PHE A 121 1.941 -0.219 4.575 1.00 0.00 O ATOM 1818 CB PHE A 121 4.035 0.874 2.710 1.00 0.00 C ATOM 1819 CG PHE A 121 4.524 1.824 1.629 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.897 1.876 0.373 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.620 2.651 1.889 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.364 2.752 -0.612 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.082 3.532 0.905 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.454 3.583 -0.344 1.00 0.00 C ATOM 0 H PHE A 121 1.739 2.143 2.914 1.00 0.00 H new ATOM 0 HA PHE A 121 2.725 -0.242 1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 121 3.980 1.400 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.751 0.061 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.051 1.237 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.111 2.610 2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.883 2.786 -1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.926 4.174 1.110 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.812 4.265 -1.101 1.00 0.00 H new ATOM 1834 N VAL A 122 2.114 -1.911 3.200 1.00 0.00 N ATOM 1835 CA VAL A 122 1.675 -2.845 4.262 1.00 0.00 C ATOM 1836 C VAL A 122 2.842 -3.719 4.716 1.00 0.00 C ATOM 1837 O VAL A 122 3.440 -4.438 3.941 1.00 0.00 O ATOM 1838 CB VAL A 122 0.500 -3.691 3.724 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.525 -5.133 4.264 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.797 -3.030 4.164 1.00 0.00 C ATOM 0 H VAL A 122 2.322 -2.337 2.297 1.00 0.00 H new ATOM 0 HA VAL A 122 1.334 -2.289 5.135 1.00 0.00 H new ATOM 0 HB VAL A 122 0.583 -3.742 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.320 -5.688 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.455 -5.617 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.458 -5.115 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.644 -3.609 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.832 -2.987 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.846 -2.019 3.759 1.00 0.00 H new ATOM 1850 N LYS A 123 3.139 -3.674 5.982 1.00 0.00 N ATOM 1851 CA LYS A 123 4.238 -4.515 6.529 1.00 0.00 C ATOM 1852 C LYS A 123 3.623 -5.751 7.173 1.00 0.00 C ATOM 1853 O LYS A 123 2.773 -5.644 8.029 1.00 0.00 O ATOM 1854 CB LYS A 123 5.008 -3.723 7.586 1.00 0.00 C ATOM 1855 CG LYS A 123 6.494 -3.676 7.228 1.00 0.00 C ATOM 1856 CD LYS A 123 6.816 -2.313 6.610 1.00 0.00 C ATOM 1857 CE LYS A 123 8.332 -2.132 6.378 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.124 -3.179 7.101 1.00 0.00 N ATOM 0 H LYS A 123 2.664 -3.086 6.667 1.00 0.00 H new ATOM 0 HA LYS A 123 4.921 -4.806 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.610 -2.710 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.876 -4.184 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.101 -3.838 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.738 -4.474 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.288 -2.210 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.452 -1.522 7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.547 -2.183 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.638 -1.143 6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.139 -3.020 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.923 -3.124 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.860 -4.120 6.746 1.00 0.00 H new ATOM 1872 N ARG A 124 4.027 -6.926 6.775 1.00 0.00 N ATOM 1873 CA ARG A 124 3.422 -8.140 7.399 1.00 0.00 C ATOM 1874 C ARG A 124 3.986 -8.312 8.810 1.00 0.00 C ATOM 1875 O ARG A 124 5.181 -8.414 9.004 1.00 0.00 O ATOM 1876 CB ARG A 124 3.741 -9.375 6.552 1.00 0.00 C ATOM 1877 CG ARG A 124 3.124 -10.616 7.201 1.00 0.00 C ATOM 1878 CD ARG A 124 2.679 -11.600 6.116 1.00 0.00 C ATOM 1879 NE ARG A 124 2.398 -12.923 6.738 1.00 0.00 N ATOM 1880 CZ ARG A 124 1.747 -13.833 6.067 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.359 -14.527 5.146 1.00 0.00 N ATOM 1882 NH2 ARG A 124 0.485 -14.048 6.317 1.00 0.00 N ATOM 0 H ARG A 124 4.734 -7.099 6.061 1.00 0.00 H new ATOM 0 HA ARG A 124 2.340 -8.023 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.349 -9.247 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.820 -9.498 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.849 -11.092 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.272 -10.330 7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.788 -11.225 5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.456 -11.699 5.358 1.00 0.00 H new ATOM 0 HE ARG A 124 2.714 -13.118 7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.346 -14.358 4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.850 -15.239 4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.008 -13.505 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -0.025 -14.759 5.793 1.00 0.00 H new ATOM 1896 N VAL A 125 3.134 -8.333 9.802 1.00 0.00 N ATOM 1897 CA VAL A 125 3.622 -8.482 11.201 1.00 0.00 C ATOM 1898 C VAL A 125 3.661 -9.968 11.569 1.00 0.00 C ATOM 1899 O VAL A 125 3.153 -10.763 10.795 1.00 0.00 O ATOM 1900 CB VAL A 125 2.692 -7.739 12.178 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.528 -7.121 13.284 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.940 -6.609 11.471 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.197 -10.283 12.618 1.00 0.00 O ATOM 0 H VAL A 125 2.122 -8.253 9.702 1.00 0.00 H new ATOM 0 HA VAL A 125 4.622 -8.054 11.272 1.00 0.00 H new ATOM 0 HB VAL A 125 1.974 -8.456 12.576 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.877 -6.593 13.980 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.066 -7.906 13.815 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.242 -6.420 12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.291 -6.102 12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.656 -5.896 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.337 -7.023 10.663 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.744 -5.848 3.927 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.269 -6.944 3.891 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.486 -5.474 3.192 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -6.902 -6.376 2.456 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.622 -6.066 1.740 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.011 -7.073 0.978 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -3.806 -6.802 0.312 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.220 -5.522 0.412 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.832 -4.518 1.176 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -5.037 -4.787 1.843 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -2.171 -5.283 -0.155 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.519 -4.011 2.438 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.373 -3.532 1.252 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.323 -7.579 -0.281 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.348 -7.366 2.360 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -5.469 -8.059 0.904 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -7.072 -4.469 3.274 1.00 0.00 H new