USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot 22:sc= 1.19 USER MOD Set 1.2: A 117 HIS :FLIP no HE2:sc= 0.083 F(o=0.67,f=1.3) USER MOD Set 2.1: A 28 THR OG1 : rot -19:sc= 0.393! USER MOD Set 2.2: A 47 THR OG1 : rot -91:sc= -0.0458 USER MOD Set 3.1: A 43 THR OG1 : rot -140:sc= -1.7 USER MOD Set 3.2: A 57 ASN : amide:sc= 0 X(o=-1.7,f=-1.7) USER MOD Single : A 1 ASN :FLIP amide:sc= -4.3! C(o=-8.5!,f=-4.3!) USER MOD Single : A 1 ASN N :NH3+ 130:sc= 0.0212 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 174:sc= 0 (180deg=-0.0549) USER MOD Single : A 17 THR OG1 : rot 37:sc= 0.933 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.981 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.624 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 37 TYR OH : rot 40:sc= 0.0406 USER MOD Single : A 40 SER OG : rot -26:sc= 0.144 USER MOD Single : A 41 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.00087) USER MOD Single : A 42 SER OG : rot -31:sc= 0.291 USER MOD Single : A 44 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.74) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -9.57! C(o=-11!,f=-9.6!) USER MOD Single : A 50 SER OG : rot -61:sc= 0.203 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 172:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -2.25! (180deg=-3.89!) USER MOD Single : A 67 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.062) USER MOD Single : A 73 ASN :FLIP amide:sc= -1.35 F(o=-5.3!,f=-1.3) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 79 LYS NZ :NH3+ -119:sc= 0.0185 (180deg=-1.94!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 65:sc= 0.0837 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.33 F(o=-3.4!,f=-1.3) USER MOD Single : A 91 SER OG : rot 34:sc= -0.566 USER MOD Single : A 93 SER OG : rot -69:sc= 0.172 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 142:sc= 1.31 USER MOD Single : A 109 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.21) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc=-0.00214 X(o=-0.0021,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.599 -1.211 -1.368 1.00 0.00 N ATOM 21 CA ASN A 1 31.483 -0.334 -1.710 1.00 0.00 C ATOM 22 C ASN A 1 30.597 -0.952 -2.786 1.00 0.00 C ATOM 23 O ASN A 1 31.076 -1.669 -3.664 1.00 0.00 O ATOM 24 CB ASN A 1 32.005 1.025 -2.180 1.00 0.00 C ATOM 25 CG ASN A 1 32.223 1.986 -1.030 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.204 2.782 -0.730 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 33.292 2.016 -0.421 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.487 -0.671 -1.399 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.459 -1.594 -0.411 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.647 -1.994 -2.050 1.00 0.00 H new ATOM 0 HA ASN A 1 30.879 -0.198 -0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.943 0.885 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.296 1.460 -2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 1 34.048 1.385 -0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.422 2.672 0.349 1.00 0.00 H new ATOM 34 N CYS A 2 29.299 -0.668 -2.707 1.00 0.00 N ATOM 35 CA CYS A 2 28.339 -1.188 -3.673 1.00 0.00 C ATOM 36 C CYS A 2 28.126 -0.203 -4.818 1.00 0.00 C ATOM 37 O CYS A 2 28.684 0.894 -4.821 1.00 0.00 O ATOM 38 CB CYS A 2 27.002 -1.483 -2.992 1.00 0.00 C ATOM 39 SG CYS A 2 26.968 -3.041 -2.048 1.00 0.00 S ATOM 0 H CYS A 2 28.889 -0.079 -1.982 1.00 0.00 H new ATOM 0 HA CYS A 2 28.745 -2.113 -4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.761 -0.659 -2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.220 -1.515 -3.751 1.00 0.00 H new ATOM 44 N GLY A 3 27.314 -0.609 -5.786 1.00 0.00 N ATOM 45 CA GLY A 3 27.017 0.253 -6.913 1.00 0.00 C ATOM 46 C GLY A 3 25.846 1.172 -6.616 1.00 0.00 C ATOM 47 O GLY A 3 25.045 0.872 -5.730 1.00 0.00 O ATOM 0 H GLY A 3 26.856 -1.520 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.896 0.849 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.790 -0.356 -7.788 1.00 0.00 H new ATOM 51 N PRO A 4 25.721 2.306 -7.330 1.00 0.00 N ATOM 52 CA PRO A 4 24.625 3.254 -7.118 1.00 0.00 C ATOM 53 C PRO A 4 23.286 2.555 -6.889 1.00 0.00 C ATOM 54 O PRO A 4 22.876 1.708 -7.682 1.00 0.00 O ATOM 55 CB PRO A 4 24.617 4.049 -8.419 1.00 0.00 C ATOM 56 CG PRO A 4 26.050 4.082 -8.827 1.00 0.00 C ATOM 57 CD PRO A 4 26.635 2.757 -8.400 1.00 0.00 C ATOM 0 HA PRO A 4 24.765 3.867 -6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.997 3.570 -9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.220 5.053 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.146 4.222 -9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.573 4.911 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.667 2.047 -9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.656 2.868 -8.035 1.00 0.00 H new ATOM 65 N PRO A 5 22.590 2.904 -5.791 1.00 0.00 N ATOM 66 CA PRO A 5 21.300 2.300 -5.440 1.00 0.00 C ATOM 67 C PRO A 5 20.284 2.361 -6.577 1.00 0.00 C ATOM 68 O PRO A 5 20.323 3.265 -7.412 1.00 0.00 O ATOM 69 CB PRO A 5 20.818 3.139 -4.254 1.00 0.00 C ATOM 70 CG PRO A 5 22.061 3.698 -3.658 1.00 0.00 C ATOM 71 CD PRO A 5 23.003 3.922 -4.807 1.00 0.00 C ATOM 0 HA PRO A 5 21.408 1.238 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.143 3.931 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.272 2.530 -3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.857 4.631 -3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.489 3.009 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.912 4.931 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.042 3.791 -4.506 1.00 0.00 H new ATOM 79 N PRO A 6 19.357 1.389 -6.614 1.00 0.00 N ATOM 80 CA PRO A 6 18.316 1.313 -7.629 1.00 0.00 C ATOM 81 C PRO A 6 17.096 2.132 -7.241 1.00 0.00 C ATOM 82 O PRO A 6 17.042 2.760 -6.182 1.00 0.00 O ATOM 83 CB PRO A 6 17.948 -0.179 -7.655 1.00 0.00 C ATOM 84 CG PRO A 6 18.667 -0.822 -6.504 1.00 0.00 C ATOM 85 CD PRO A 6 19.243 0.283 -5.663 1.00 0.00 C ATOM 0 HA PRO A 6 18.652 1.703 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.870 -0.313 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.245 -0.634 -8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.982 -1.434 -5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.456 -1.482 -6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.592 0.535 -4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.211 0.009 -5.243 1.00 0.00 H new ATOM 93 N THR A 7 16.118 2.100 -8.139 1.00 0.00 N ATOM 94 CA THR A 7 14.859 2.793 -7.940 1.00 0.00 C ATOM 95 C THR A 7 13.851 1.801 -7.387 1.00 0.00 C ATOM 96 O THR A 7 13.703 0.704 -7.924 1.00 0.00 O ATOM 97 CB THR A 7 14.321 3.405 -9.248 1.00 0.00 C ATOM 98 OG1 THR A 7 15.305 4.274 -9.824 1.00 0.00 O ATOM 99 CG2 THR A 7 13.038 4.185 -8.995 1.00 0.00 C ATOM 0 H THR A 7 16.179 1.593 -9.022 1.00 0.00 H new ATOM 0 HA THR A 7 15.022 3.615 -7.243 1.00 0.00 H new ATOM 0 HB THR A 7 14.103 2.591 -9.940 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.956 4.657 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.678 4.607 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.281 3.517 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.235 4.990 -8.287 1.00 0.00 H new ATOM 107 N LEU A 8 13.159 2.169 -6.322 1.00 0.00 N ATOM 108 CA LEU A 8 12.191 1.269 -5.724 1.00 0.00 C ATOM 109 C LEU A 8 10.775 1.828 -5.787 1.00 0.00 C ATOM 110 O LEU A 8 10.514 2.847 -6.426 1.00 0.00 O ATOM 111 CB LEU A 8 12.574 0.987 -4.269 1.00 0.00 C ATOM 112 CG LEU A 8 14.041 0.598 -4.050 1.00 0.00 C ATOM 113 CD1 LEU A 8 14.928 1.832 -4.026 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.199 -0.185 -2.757 1.00 0.00 C ATOM 0 H LEU A 8 13.248 3.074 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 8 12.205 0.342 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.356 1.873 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.940 0.185 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 8 14.350 -0.035 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.964 1.532 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.843 2.360 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.614 2.490 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.247 -0.452 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.867 0.427 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.597 -1.092 -2.805 1.00 0.00 H new ATOM 126 N SER A 9 9.874 1.133 -5.109 1.00 0.00 N ATOM 127 CA SER A 9 8.475 1.532 -5.051 1.00 0.00 C ATOM 128 C SER A 9 7.876 1.114 -3.719 1.00 0.00 C ATOM 129 O SER A 9 6.686 1.304 -3.468 1.00 0.00 O ATOM 130 CB SER A 9 7.688 0.904 -6.204 1.00 0.00 C ATOM 131 OG SER A 9 7.786 -0.509 -6.179 1.00 0.00 O ATOM 0 H SER A 9 10.089 0.283 -4.587 1.00 0.00 H new ATOM 0 HA SER A 9 8.416 2.616 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.641 1.200 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.066 1.281 -7.154 1.00 0.00 H new ATOM 0 HG SER A 9 7.273 -0.886 -6.924 1.00 0.00 H new ATOM 137 N PHE A 10 8.720 0.531 -2.877 1.00 0.00 N ATOM 138 CA PHE A 10 8.310 0.087 -1.557 1.00 0.00 C ATOM 139 C PHE A 10 9.099 0.834 -0.488 1.00 0.00 C ATOM 140 O PHE A 10 9.308 0.327 0.614 1.00 0.00 O ATOM 141 CB PHE A 10 8.501 -1.425 -1.417 1.00 0.00 C ATOM 142 CG PHE A 10 9.753 -1.949 -2.059 1.00 0.00 C ATOM 143 CD1 PHE A 10 9.773 -2.270 -3.409 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.908 -2.125 -1.316 1.00 0.00 C ATOM 145 CE1 PHE A 10 10.923 -2.755 -4.003 1.00 0.00 C ATOM 146 CE2 PHE A 10 12.060 -2.611 -1.905 1.00 0.00 C ATOM 147 CZ PHE A 10 12.068 -2.926 -3.251 1.00 0.00 C ATOM 0 H PHE A 10 9.702 0.355 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 10 7.251 0.307 -1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.514 -1.682 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.641 -1.931 -1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.880 -2.139 -4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.909 -1.880 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.926 -3.000 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.954 -2.745 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.968 -3.305 -3.713 1.00 0.00 H new ATOM 157 N ALA A 11 9.500 2.061 -0.837 1.00 0.00 N ATOM 158 CA ALA A 11 10.270 2.951 0.038 1.00 0.00 C ATOM 159 C ALA A 11 11.021 3.977 -0.808 1.00 0.00 C ATOM 160 O ALA A 11 11.408 3.717 -1.947 1.00 0.00 O ATOM 161 CB ALA A 11 11.235 2.184 0.932 1.00 0.00 C ATOM 0 H ALA A 11 9.296 2.470 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 11 9.569 3.464 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.783 2.885 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.676 1.491 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.938 1.626 0.314 1.00 0.00 H new ATOM 167 N ALA A 12 11.211 5.150 -0.208 1.00 0.00 N ATOM 168 CA ALA A 12 11.941 6.228 -0.870 1.00 0.00 C ATOM 169 C ALA A 12 13.053 6.778 0.023 1.00 0.00 C ATOM 170 O ALA A 12 12.919 6.802 1.242 1.00 0.00 O ATOM 171 CB ALA A 12 10.985 7.343 -1.271 1.00 0.00 C ATOM 0 H ALA A 12 10.873 5.377 0.727 1.00 0.00 H new ATOM 0 HA ALA A 12 12.405 5.818 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.542 8.140 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.233 6.949 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.494 7.739 -0.382 1.00 0.00 H new ATOM 177 N PRO A 13 14.166 7.237 -0.581 1.00 0.00 N ATOM 178 CA PRO A 13 15.308 7.784 0.166 1.00 0.00 C ATOM 179 C PRO A 13 14.908 8.908 1.119 1.00 0.00 C ATOM 180 O PRO A 13 13.985 9.671 0.837 1.00 0.00 O ATOM 181 CB PRO A 13 16.225 8.329 -0.932 1.00 0.00 C ATOM 182 CG PRO A 13 15.869 7.549 -2.148 1.00 0.00 C ATOM 183 CD PRO A 13 14.399 7.260 -2.038 1.00 0.00 C ATOM 0 HA PRO A 13 15.771 7.026 0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.066 9.396 -1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 13 17.275 8.198 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.089 8.115 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.445 6.625 -2.202 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.800 8.027 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.140 6.308 -2.502 1.00 0.00 H new ATOM 191 N MET A 14 15.609 9.006 2.248 1.00 0.00 N ATOM 192 CA MET A 14 15.323 10.048 3.230 1.00 0.00 C ATOM 193 C MET A 14 16.522 10.294 4.146 1.00 0.00 C ATOM 194 O MET A 14 16.548 11.266 4.902 1.00 0.00 O ATOM 195 CB MET A 14 14.095 9.670 4.061 1.00 0.00 C ATOM 196 CG MET A 14 13.693 10.731 5.075 1.00 0.00 C ATOM 197 SD MET A 14 13.468 12.359 4.331 1.00 0.00 S ATOM 198 CE MET A 14 11.970 12.099 3.383 1.00 0.00 C ATOM 0 H MET A 14 16.373 8.381 2.503 1.00 0.00 H new ATOM 0 HA MET A 14 15.118 10.971 2.688 1.00 0.00 H new ATOM 0 HB2 MET A 14 13.256 9.485 3.390 1.00 0.00 H new ATOM 0 HB3 MET A 14 14.296 8.736 4.586 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.766 10.428 5.563 1.00 0.00 H new ATOM 0 HG3 MET A 14 14.456 10.793 5.851 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.644 13.045 2.951 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.165 11.383 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.189 11.710 4.036 1.00 0.00 H new ATOM 208 N ASP A 15 17.514 9.414 4.068 1.00 0.00 N ATOM 209 CA ASP A 15 18.714 9.540 4.892 1.00 0.00 C ATOM 210 C ASP A 15 19.972 9.294 4.071 1.00 0.00 C ATOM 211 O ASP A 15 21.037 9.838 4.363 1.00 0.00 O ATOM 212 CB ASP A 15 18.663 8.557 6.060 1.00 0.00 C ATOM 213 CG ASP A 15 19.869 8.676 6.970 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.865 9.563 7.849 1.00 0.00 O ATOM 215 OD2 ASP A 15 20.817 7.880 6.806 1.00 0.00 O ATOM 0 H ASP A 15 17.513 8.607 3.444 1.00 0.00 H new ATOM 0 HA ASP A 15 18.746 10.559 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.756 8.732 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 15 18.603 7.540 5.673 1.00 0.00 H new ATOM 220 N ILE A 16 19.837 8.469 3.045 1.00 0.00 N ATOM 221 CA ILE A 16 20.956 8.134 2.171 1.00 0.00 C ATOM 222 C ILE A 16 21.517 9.371 1.495 1.00 0.00 C ATOM 223 O ILE A 16 22.667 9.386 1.054 1.00 0.00 O ATOM 224 CB ILE A 16 20.535 7.111 1.091 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.534 7.088 -0.070 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.135 7.426 0.588 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.308 5.951 -1.043 1.00 0.00 C ATOM 0 H ILE A 16 18.959 8.015 2.794 1.00 0.00 H new ATOM 0 HA ILE A 16 21.729 7.692 2.800 1.00 0.00 H new ATOM 0 HB ILE A 16 20.531 6.120 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.473 8.033 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.544 7.015 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.849 6.699 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.431 7.378 1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.120 8.427 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.052 5.999 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.398 5.000 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.311 6.034 -1.475 1.00 0.00 H new ATOM 239 N THR A 17 20.707 10.413 1.455 1.00 0.00 N ATOM 240 CA THR A 17 21.085 11.662 0.810 1.00 0.00 C ATOM 241 C THR A 17 21.675 11.390 -0.562 1.00 0.00 C ATOM 242 O THR A 17 22.855 11.069 -0.691 1.00 0.00 O ATOM 243 CB THR A 17 22.100 12.466 1.633 1.00 0.00 C ATOM 244 OG1 THR A 17 23.226 11.650 1.974 1.00 0.00 O ATOM 245 CG2 THR A 17 21.463 13.022 2.898 1.00 0.00 C ATOM 0 H THR A 17 19.773 10.420 1.865 1.00 0.00 H new ATOM 0 HA THR A 17 20.174 12.254 0.723 1.00 0.00 H new ATOM 0 HB THR A 17 22.437 13.302 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.436 11.053 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.206 13.587 3.461 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.635 13.678 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.092 12.200 3.510 1.00 0.00 H new ATOM 253 N LEU A 18 20.850 11.529 -1.584 1.00 0.00 N ATOM 254 CA LEU A 18 21.279 11.277 -2.942 1.00 0.00 C ATOM 255 C LEU A 18 22.273 12.331 -3.410 1.00 0.00 C ATOM 256 O LEU A 18 21.912 13.270 -4.122 1.00 0.00 O ATOM 257 CB LEU A 18 20.069 11.244 -3.866 1.00 0.00 C ATOM 258 CG LEU A 18 19.449 9.860 -4.065 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.496 8.881 -4.572 1.00 0.00 C ATOM 260 CD2 LEU A 18 18.837 9.357 -2.767 1.00 0.00 C ATOM 0 H LEU A 18 19.875 11.816 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 18 21.781 10.310 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.307 11.914 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.362 11.638 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 18 18.657 9.940 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.041 7.900 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.893 9.233 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.306 8.807 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.401 8.371 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.610 9.291 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.060 10.048 -2.439 1.00 0.00 H new ATOM 272 N THR A 19 23.525 12.173 -3.000 1.00 0.00 N ATOM 273 CA THR A 19 24.578 13.110 -3.368 1.00 0.00 C ATOM 274 C THR A 19 25.906 12.381 -3.534 1.00 0.00 C ATOM 275 O THR A 19 26.897 12.962 -3.979 1.00 0.00 O ATOM 276 CB THR A 19 24.737 14.216 -2.306 1.00 0.00 C ATOM 277 OG1 THR A 19 25.285 13.666 -1.104 1.00 0.00 O ATOM 278 CG2 THR A 19 23.394 14.869 -2.002 1.00 0.00 C ATOM 0 H THR A 19 23.837 11.401 -2.410 1.00 0.00 H new ATOM 0 HA THR A 19 24.292 13.569 -4.314 1.00 0.00 H new ATOM 0 HB THR A 19 25.414 14.974 -2.701 1.00 0.00 H new ATOM 0 HG1 THR A 19 25.384 14.375 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 19 23.529 15.646 -1.250 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.990 15.311 -2.913 1.00 0.00 H new ATOM 0 HG23 THR A 19 22.701 14.117 -1.625 1.00 0.00 H new ATOM 286 N GLU A 20 25.914 11.103 -3.169 1.00 0.00 N ATOM 287 CA GLU A 20 27.110 10.279 -3.272 1.00 0.00 C ATOM 288 C GLU A 20 27.030 9.352 -4.480 1.00 0.00 C ATOM 289 O GLU A 20 26.131 9.477 -5.313 1.00 0.00 O ATOM 290 CB GLU A 20 27.299 9.456 -1.996 1.00 0.00 C ATOM 291 CG GLU A 20 27.990 10.218 -0.877 1.00 0.00 C ATOM 292 CD GLU A 20 28.177 9.377 0.371 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.174 8.629 0.438 1.00 0.00 O ATOM 294 OE2 GLU A 20 27.326 9.467 1.281 1.00 0.00 O ATOM 0 H GLU A 20 25.099 10.614 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 20 27.966 10.941 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.325 9.116 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 20 27.881 8.565 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.962 10.566 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.405 11.104 -0.630 1.00 0.00 H new ATOM 301 N THR A 21 27.975 8.423 -4.568 1.00 0.00 N ATOM 302 CA THR A 21 28.018 7.475 -5.674 1.00 0.00 C ATOM 303 C THR A 21 28.155 6.044 -5.172 1.00 0.00 C ATOM 304 O THR A 21 27.545 5.124 -5.717 1.00 0.00 O ATOM 305 CB THR A 21 29.189 7.776 -6.622 1.00 0.00 C ATOM 306 OG1 THR A 21 30.340 8.172 -5.867 1.00 0.00 O ATOM 307 CG2 THR A 21 28.820 8.869 -7.612 1.00 0.00 C ATOM 0 H THR A 21 28.723 8.306 -3.885 1.00 0.00 H new ATOM 0 HA THR A 21 27.077 7.582 -6.213 1.00 0.00 H new ATOM 0 HB THR A 21 29.417 6.869 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.884 8.789 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.666 9.063 -8.272 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.963 8.549 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.566 9.780 -7.070 1.00 0.00 H new ATOM 315 N ARG A 22 28.960 5.865 -4.133 1.00 0.00 N ATOM 316 CA ARG A 22 29.186 4.544 -3.558 1.00 0.00 C ATOM 317 C ARG A 22 28.795 4.526 -2.087 1.00 0.00 C ATOM 318 O ARG A 22 28.729 5.573 -1.441 1.00 0.00 O ATOM 319 CB ARG A 22 30.642 4.139 -3.701 1.00 0.00 C ATOM 320 CG ARG A 22 31.085 3.965 -5.142 1.00 0.00 C ATOM 321 CD ARG A 22 31.667 5.250 -5.706 1.00 0.00 C ATOM 322 NE ARG A 22 32.824 5.707 -4.940 1.00 0.00 N ATOM 323 CZ ARG A 22 33.532 6.790 -5.247 1.00 0.00 C ATOM 324 NH1 ARG A 22 33.203 7.526 -6.300 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.570 7.138 -4.499 1.00 0.00 N ATOM 0 H ARG A 22 29.468 6.619 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 22 28.564 3.832 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.269 4.893 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.805 3.205 -3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.829 3.171 -5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.236 3.652 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.959 5.091 -6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 22 30.902 6.026 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 22 33.105 5.164 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.405 7.262 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 22 33.748 8.356 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.826 6.575 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.113 7.969 -4.735 1.00 0.00 H new ATOM 339 N PHE A 23 28.539 3.334 -1.557 1.00 0.00 N ATOM 340 CA PHE A 23 28.150 3.162 -0.162 1.00 0.00 C ATOM 341 C PHE A 23 28.752 1.866 0.378 1.00 0.00 C ATOM 342 O PHE A 23 28.353 0.773 -0.023 1.00 0.00 O ATOM 343 CB PHE A 23 26.624 3.145 -0.048 1.00 0.00 C ATOM 344 CG PHE A 23 25.966 4.301 -0.748 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.810 4.287 -2.124 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.525 5.403 -0.037 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.226 5.350 -2.778 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.939 6.473 -0.688 1.00 0.00 C ATOM 349 CZ PHE A 23 24.790 6.447 -2.061 1.00 0.00 C ATOM 0 H PHE A 23 28.595 2.461 -2.082 1.00 0.00 H new ATOM 0 HA PHE A 23 28.528 3.995 0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.245 2.212 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.344 3.159 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.150 3.433 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.640 5.428 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.109 5.325 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.598 7.328 -0.123 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.334 7.282 -2.572 1.00 0.00 H new ATOM 359 N LYS A 24 29.720 1.997 1.287 1.00 0.00 N ATOM 360 CA LYS A 24 30.412 0.839 1.857 1.00 0.00 C ATOM 361 C LYS A 24 29.440 -0.226 2.349 1.00 0.00 C ATOM 362 O LYS A 24 28.248 0.029 2.517 1.00 0.00 O ATOM 363 CB LYS A 24 31.326 1.267 3.005 1.00 0.00 C ATOM 364 CG LYS A 24 32.165 2.498 2.700 1.00 0.00 C ATOM 365 CD LYS A 24 33.066 2.862 3.871 1.00 0.00 C ATOM 366 CE LYS A 24 32.260 3.174 5.123 1.00 0.00 C ATOM 367 NZ LYS A 24 33.132 3.352 6.316 1.00 0.00 N ATOM 0 H LYS A 24 30.043 2.896 1.645 1.00 0.00 H new ATOM 0 HA LYS A 24 31.011 0.405 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.717 1.464 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.990 0.440 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 24 32.774 2.315 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.510 3.338 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.750 2.038 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.677 3.725 3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.676 4.080 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.551 2.367 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.544 3.563 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.671 2.479 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.791 4.139 6.150 1.00 0.00 H new ATOM 381 N THR A 25 29.971 -1.422 2.593 1.00 0.00 N ATOM 382 CA THR A 25 29.169 -2.544 3.055 1.00 0.00 C ATOM 383 C THR A 25 28.607 -2.312 4.450 1.00 0.00 C ATOM 384 O THR A 25 27.797 -3.099 4.939 1.00 0.00 O ATOM 385 CB THR A 25 29.977 -3.843 3.077 1.00 0.00 C ATOM 386 OG1 THR A 25 31.366 -3.560 3.286 1.00 0.00 O ATOM 387 CG2 THR A 25 29.794 -4.641 1.788 1.00 0.00 C ATOM 0 H THR A 25 30.961 -1.636 2.476 1.00 0.00 H new ATOM 0 HA THR A 25 28.347 -2.631 2.345 1.00 0.00 H new ATOM 0 HB THR A 25 29.605 -4.450 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.872 -4.399 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.383 -5.557 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.741 -4.893 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.127 -4.043 0.940 1.00 0.00 H new ATOM 395 N GLY A 26 29.036 -1.235 5.087 1.00 0.00 N ATOM 396 CA GLY A 26 28.565 -0.934 6.426 1.00 0.00 C ATOM 397 C GLY A 26 27.470 0.106 6.425 1.00 0.00 C ATOM 398 O GLY A 26 26.764 0.283 7.418 1.00 0.00 O ATOM 0 H GLY A 26 29.701 -0.563 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.196 -1.847 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.399 -0.580 7.032 1.00 0.00 H new ATOM 402 N THR A 27 27.332 0.795 5.302 1.00 0.00 N ATOM 403 CA THR A 27 26.318 1.836 5.155 1.00 0.00 C ATOM 404 C THR A 27 24.916 1.248 5.273 1.00 0.00 C ATOM 405 O THR A 27 24.743 0.034 5.229 1.00 0.00 O ATOM 406 CB THR A 27 26.439 2.551 3.799 1.00 0.00 C ATOM 407 OG1 THR A 27 25.824 3.842 3.867 1.00 0.00 O ATOM 408 CG2 THR A 27 25.779 1.731 2.702 1.00 0.00 C ATOM 0 H THR A 27 27.911 0.653 4.474 1.00 0.00 H new ATOM 0 HA THR A 27 26.485 2.557 5.956 1.00 0.00 H new ATOM 0 HB THR A 27 27.497 2.666 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.908 4.290 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.875 2.253 1.750 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.265 0.758 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.723 1.593 2.936 1.00 0.00 H new ATOM 416 N THR A 28 23.917 2.114 5.415 1.00 0.00 N ATOM 417 CA THR A 28 22.534 1.664 5.528 1.00 0.00 C ATOM 418 C THR A 28 21.561 2.802 5.232 1.00 0.00 C ATOM 419 O THR A 28 21.631 3.867 5.846 1.00 0.00 O ATOM 420 CB THR A 28 22.234 1.101 6.930 1.00 0.00 C ATOM 421 OG1 THR A 28 23.199 0.102 7.278 1.00 0.00 O ATOM 422 CG2 THR A 28 20.839 0.499 6.984 1.00 0.00 C ATOM 0 H THR A 28 24.038 3.126 5.454 1.00 0.00 H new ATOM 0 HA THR A 28 22.401 0.871 4.792 1.00 0.00 H new ATOM 0 HB THR A 28 22.289 1.923 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.645 -0.218 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.650 0.108 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.102 1.267 6.749 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.764 -0.310 6.258 1.00 0.00 H new ATOM 430 N LEU A 29 20.655 2.569 4.286 1.00 0.00 N ATOM 431 CA LEU A 29 19.678 3.581 3.903 1.00 0.00 C ATOM 432 C LEU A 29 18.425 3.488 4.770 1.00 0.00 C ATOM 433 O LEU A 29 17.921 2.397 5.032 1.00 0.00 O ATOM 434 CB LEU A 29 19.287 3.427 2.427 1.00 0.00 C ATOM 435 CG LEU A 29 20.359 2.819 1.516 1.00 0.00 C ATOM 436 CD1 LEU A 29 19.924 2.883 0.060 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.687 3.525 1.705 1.00 0.00 C ATOM 0 H LEU A 29 20.578 1.691 3.773 1.00 0.00 H new ATOM 0 HA LEU A 29 20.140 4.557 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.393 2.806 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.019 4.409 2.037 1.00 0.00 H new ATOM 0 HG LEU A 29 20.486 1.772 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.699 2.447 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.996 2.326 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.766 3.923 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.434 3.078 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.576 4.581 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 29 22.008 3.424 2.742 1.00 0.00 H new ATOM 449 N LYS A 30 17.929 4.640 5.213 1.00 0.00 N ATOM 450 CA LYS A 30 16.727 4.685 6.039 1.00 0.00 C ATOM 451 C LYS A 30 15.497 4.376 5.198 1.00 0.00 C ATOM 452 O LYS A 30 14.855 3.340 5.374 1.00 0.00 O ATOM 453 CB LYS A 30 16.570 6.061 6.688 1.00 0.00 C ATOM 454 CG LYS A 30 15.499 6.107 7.768 1.00 0.00 C ATOM 455 CD LYS A 30 15.884 5.267 8.977 1.00 0.00 C ATOM 456 CE LYS A 30 17.086 5.850 9.704 1.00 0.00 C ATOM 457 NZ LYS A 30 17.504 5.005 10.856 1.00 0.00 N ATOM 0 H LYS A 30 18.340 5.552 5.014 1.00 0.00 H new ATOM 0 HA LYS A 30 16.825 3.934 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.524 6.360 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.328 6.792 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.339 7.140 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.555 5.747 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.038 5.205 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.110 4.250 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.918 5.950 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.845 6.852 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.326 5.438 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.719 4.930 11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.759 4.056 10.516 1.00 0.00 H new ATOM 471 N TYR A 31 15.183 5.287 4.283 1.00 0.00 N ATOM 472 CA TYR A 31 14.036 5.135 3.395 1.00 0.00 C ATOM 473 C TYR A 31 12.716 5.168 4.166 1.00 0.00 C ATOM 474 O TYR A 31 12.575 4.547 5.219 1.00 0.00 O ATOM 475 CB TYR A 31 14.157 3.839 2.586 1.00 0.00 C ATOM 476 CG TYR A 31 14.926 3.999 1.293 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.252 4.414 1.299 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.328 3.736 0.067 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.960 4.561 0.122 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.029 3.881 -1.115 1.00 0.00 C ATOM 481 CZ TYR A 31 16.345 4.293 -1.082 1.00 0.00 C ATOM 482 OH TYR A 31 17.046 4.439 -2.257 1.00 0.00 O ATOM 0 H TYR A 31 15.713 6.146 4.136 1.00 0.00 H new ATOM 0 HA TYR A 31 14.034 5.981 2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.648 3.083 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.158 3.467 2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.738 4.625 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.298 3.413 0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.990 4.884 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.549 3.673 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 31 16.467 4.209 -3.014 1.00 0.00 H new ATOM 492 N THR A 32 11.755 5.908 3.620 1.00 0.00 N ATOM 493 CA THR A 32 10.437 6.039 4.234 1.00 0.00 C ATOM 494 C THR A 32 9.396 5.235 3.462 1.00 0.00 C ATOM 495 O THR A 32 9.643 4.816 2.332 1.00 0.00 O ATOM 496 CB THR A 32 9.999 7.516 4.314 1.00 0.00 C ATOM 497 OG1 THR A 32 8.578 7.622 4.155 1.00 0.00 O ATOM 498 CG2 THR A 32 10.700 8.352 3.252 1.00 0.00 C ATOM 0 H THR A 32 11.865 6.428 2.750 1.00 0.00 H new ATOM 0 HA THR A 32 10.511 5.645 5.247 1.00 0.00 H new ATOM 0 HB THR A 32 10.280 7.898 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.312 8.564 4.209 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.373 9.389 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.779 8.299 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.451 7.967 2.263 1.00 0.00 H new ATOM 506 N CYS A 33 8.230 5.024 4.069 1.00 0.00 N ATOM 507 CA CYS A 33 7.173 4.251 3.425 1.00 0.00 C ATOM 508 C CYS A 33 5.920 5.085 3.160 1.00 0.00 C ATOM 509 O CYS A 33 5.117 5.350 4.055 1.00 0.00 O ATOM 510 CB CYS A 33 6.807 3.031 4.274 1.00 0.00 C ATOM 511 SG CYS A 33 8.030 1.682 4.215 1.00 0.00 S ATOM 0 H CYS A 33 7.995 5.374 4.998 1.00 0.00 H new ATOM 0 HA CYS A 33 7.565 3.925 2.462 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.683 3.348 5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.843 2.647 3.940 1.00 0.00 H new ATOM 516 N LEU A 34 5.810 5.494 1.895 1.00 0.00 N ATOM 517 CA LEU A 34 4.681 6.290 1.410 1.00 0.00 C ATOM 518 C LEU A 34 3.405 5.962 2.186 1.00 0.00 C ATOM 519 O LEU A 34 2.802 4.909 1.995 1.00 0.00 O ATOM 520 CB LEU A 34 4.462 6.046 -0.082 1.00 0.00 C ATOM 521 CG LEU A 34 5.717 6.177 -0.950 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.382 5.913 -2.410 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.343 7.553 -0.782 1.00 0.00 C ATOM 0 H LEU A 34 6.502 5.282 1.177 1.00 0.00 H new ATOM 0 HA LEU A 34 4.918 7.342 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.050 5.046 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.713 6.750 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 34 6.442 5.432 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.284 6.010 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.982 4.905 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.639 6.635 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.233 7.626 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.626 8.318 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.619 7.702 0.262 1.00 0.00 H new ATOM 535 N PRO A 35 2.983 6.884 3.062 1.00 0.00 N ATOM 536 CA PRO A 35 1.803 6.728 3.910 1.00 0.00 C ATOM 537 C PRO A 35 0.691 5.870 3.301 1.00 0.00 C ATOM 538 O PRO A 35 0.256 6.095 2.172 1.00 0.00 O ATOM 539 CB PRO A 35 1.338 8.172 4.074 1.00 0.00 C ATOM 540 CG PRO A 35 2.595 8.984 4.053 1.00 0.00 C ATOM 541 CD PRO A 35 3.629 8.187 3.289 1.00 0.00 C ATOM 0 HA PRO A 35 2.041 6.204 4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.665 8.465 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.795 8.309 5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.422 9.948 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.938 9.188 5.067 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.890 8.672 2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.552 8.080 3.860 1.00 0.00 H new ATOM 549 N GLY A 36 0.240 4.886 4.080 1.00 0.00 N ATOM 550 CA GLY A 36 -0.842 4.026 3.632 1.00 0.00 C ATOM 551 C GLY A 36 -0.439 2.576 3.414 1.00 0.00 C ATOM 552 O GLY A 36 -1.215 1.679 3.725 1.00 0.00 O ATOM 0 H GLY A 36 0.604 4.671 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.646 4.061 4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.244 4.423 2.700 1.00 0.00 H new ATOM 556 N TYR A 37 0.754 2.369 2.839 1.00 0.00 N ATOM 557 CA TYR A 37 1.304 1.032 2.534 1.00 0.00 C ATOM 558 C TYR A 37 0.499 -0.140 3.092 1.00 0.00 C ATOM 559 O TYR A 37 -0.041 -0.110 4.197 1.00 0.00 O ATOM 560 CB TYR A 37 2.760 0.938 2.974 1.00 0.00 C ATOM 561 CG TYR A 37 3.725 1.302 1.868 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.077 0.377 0.893 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.282 2.567 1.795 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.957 0.705 -0.119 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.162 2.903 0.785 1.00 0.00 C ATOM 566 CZ TYR A 37 5.497 1.970 -0.166 1.00 0.00 C ATOM 567 OH TYR A 37 6.373 2.307 -1.171 1.00 0.00 O ATOM 0 H TYR A 37 1.375 3.131 2.568 1.00 0.00 H new ATOM 0 HA TYR A 37 1.233 0.936 1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.922 1.599 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.968 -0.076 3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.655 -0.616 0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.024 3.304 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.220 -0.026 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.585 3.896 0.743 1.00 0.00 H new ATOM 0 HH TYR A 37 6.067 1.916 -2.016 1.00 0.00 H new ATOM 577 N VAL A 38 0.533 -1.213 2.316 1.00 0.00 N ATOM 578 CA VAL A 38 -0.238 -2.403 2.639 1.00 0.00 C ATOM 579 C VAL A 38 0.638 -3.475 3.290 1.00 0.00 C ATOM 580 O VAL A 38 1.857 -3.498 3.117 1.00 0.00 O ATOM 581 CB VAL A 38 -0.896 -2.975 1.377 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.663 -4.236 1.701 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.805 -1.940 0.739 1.00 0.00 C ATOM 0 H VAL A 38 1.085 -1.284 1.461 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.011 -2.110 3.349 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.112 -3.230 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.122 -4.626 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.982 -4.981 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.439 -4.012 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.264 -2.361 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.583 -1.654 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.221 -1.061 0.467 1.00 0.00 H new ATOM 593 N ARG A 39 -0.021 -4.356 4.048 1.00 0.00 N ATOM 594 CA ARG A 39 0.638 -5.438 4.777 1.00 0.00 C ATOM 595 C ARG A 39 1.716 -6.142 3.963 1.00 0.00 C ATOM 596 O ARG A 39 1.469 -6.606 2.850 1.00 0.00 O ATOM 597 CB ARG A 39 -0.396 -6.462 5.248 1.00 0.00 C ATOM 598 CG ARG A 39 -1.354 -5.924 6.297 1.00 0.00 C ATOM 599 CD ARG A 39 -2.287 -7.011 6.805 1.00 0.00 C ATOM 600 NE ARG A 39 -3.175 -6.524 7.857 1.00 0.00 N ATOM 601 CZ ARG A 39 -4.243 -7.188 8.288 1.00 0.00 C ATOM 602 NH1 ARG A 39 -4.559 -8.361 7.753 1.00 0.00 N ATOM 603 NH2 ARG A 39 -4.997 -6.680 9.253 1.00 0.00 N ATOM 0 H ARG A 39 -1.033 -4.336 4.172 1.00 0.00 H new ATOM 0 HA ARG A 39 1.132 -4.977 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.970 -6.808 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.124 -7.330 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.788 -5.510 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.940 -5.108 5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.883 -7.393 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.698 -7.845 7.186 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.964 -5.623 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.982 -8.755 7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.379 -8.869 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.758 -5.778 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.816 -7.191 9.583 1.00 0.00 H new ATOM 617 N SER A 40 2.907 -6.225 4.563 1.00 0.00 N ATOM 618 CA SER A 40 4.070 -6.875 3.960 1.00 0.00 C ATOM 619 C SER A 40 5.347 -6.391 4.636 1.00 0.00 C ATOM 620 O SER A 40 6.436 -6.902 4.373 1.00 0.00 O ATOM 621 CB SER A 40 4.155 -6.591 2.462 1.00 0.00 C ATOM 622 OG SER A 40 5.245 -7.281 1.874 1.00 0.00 O ATOM 0 H SER A 40 3.091 -5.839 5.489 1.00 0.00 H new ATOM 0 HA SER A 40 3.958 -7.950 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.226 -6.892 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.267 -5.519 2.297 1.00 0.00 H new ATOM 0 HG SER A 40 5.932 -7.447 2.553 1.00 0.00 H new ATOM 628 N HIS A 41 5.200 -5.400 5.511 1.00 0.00 N ATOM 629 CA HIS A 41 6.334 -4.824 6.224 1.00 0.00 C ATOM 630 C HIS A 41 7.079 -5.873 7.041 1.00 0.00 C ATOM 631 O HIS A 41 6.511 -6.890 7.439 1.00 0.00 O ATOM 632 CB HIS A 41 5.866 -3.690 7.137 1.00 0.00 C ATOM 633 CG HIS A 41 4.894 -4.127 8.187 1.00 0.00 C ATOM 634 ND1 HIS A 41 5.238 -4.286 9.512 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.577 -4.436 8.103 1.00 0.00 C ATOM 636 CE1 HIS A 41 4.179 -4.675 10.198 1.00 0.00 C ATOM 637 NE2 HIS A 41 3.157 -4.773 9.367 1.00 0.00 N ATOM 0 H HIS A 41 4.301 -4.978 5.744 1.00 0.00 H new ATOM 0 HA HIS A 41 7.023 -4.428 5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.734 -3.243 7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.405 -2.912 6.529 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.971 -4.420 7.209 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.153 -4.878 11.258 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.210 -5.053 9.622 1.00 0.00 H new ATOM 646 N SER A 42 8.360 -5.607 7.285 1.00 0.00 N ATOM 647 CA SER A 42 9.210 -6.507 8.056 1.00 0.00 C ATOM 648 C SER A 42 10.604 -5.909 8.218 1.00 0.00 C ATOM 649 O SER A 42 11.418 -6.399 9.000 1.00 0.00 O ATOM 650 CB SER A 42 9.304 -7.874 7.375 1.00 0.00 C ATOM 651 OG SER A 42 10.103 -8.767 8.131 1.00 0.00 O ATOM 0 H SER A 42 8.835 -4.766 6.956 1.00 0.00 H new ATOM 0 HA SER A 42 8.764 -6.639 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.305 -8.291 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.727 -7.758 6.377 1.00 0.00 H new ATOM 0 HG SER A 42 10.791 -8.262 8.613 1.00 0.00 H new ATOM 657 N THR A 43 10.865 -4.844 7.467 1.00 0.00 N ATOM 658 CA THR A 43 12.154 -4.160 7.511 1.00 0.00 C ATOM 659 C THR A 43 12.024 -2.744 6.952 1.00 0.00 C ATOM 660 O THR A 43 10.916 -2.215 6.855 1.00 0.00 O ATOM 661 CB THR A 43 13.221 -4.920 6.700 1.00 0.00 C ATOM 662 OG1 THR A 43 12.871 -6.307 6.603 1.00 0.00 O ATOM 663 CG2 THR A 43 14.591 -4.791 7.351 1.00 0.00 C ATOM 0 H THR A 43 10.196 -4.433 6.816 1.00 0.00 H new ATOM 0 HA THR A 43 12.466 -4.120 8.555 1.00 0.00 H new ATOM 0 HB THR A 43 13.262 -4.482 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.677 -6.855 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.327 -5.336 6.760 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.872 -3.739 7.401 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.556 -5.206 8.358 1.00 0.00 H new ATOM 671 N GLN A 44 13.159 -2.140 6.588 1.00 0.00 N ATOM 672 CA GLN A 44 13.175 -0.786 6.030 1.00 0.00 C ATOM 673 C GLN A 44 14.602 -0.245 5.962 1.00 0.00 C ATOM 674 O GLN A 44 14.862 0.888 6.367 1.00 0.00 O ATOM 675 CB GLN A 44 12.310 0.159 6.875 1.00 0.00 C ATOM 676 CG GLN A 44 11.991 1.477 6.186 1.00 0.00 C ATOM 677 CD GLN A 44 11.197 2.419 7.068 1.00 0.00 C ATOM 678 OE1 GLN A 44 11.324 2.398 8.293 1.00 0.00 O ATOM 679 NE2 GLN A 44 10.368 3.254 6.449 1.00 0.00 N ATOM 0 H GLN A 44 14.081 -2.569 6.670 1.00 0.00 H new ATOM 0 HA GLN A 44 12.766 -0.838 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.377 -0.345 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.824 0.365 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.921 1.961 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.429 1.279 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.294 3.238 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.807 3.911 6.991 1.00 0.00 H new ATOM 688 N THR A 45 15.529 -1.051 5.440 1.00 0.00 N ATOM 689 CA THR A 45 16.927 -0.635 5.344 1.00 0.00 C ATOM 690 C THR A 45 17.650 -1.291 4.169 1.00 0.00 C ATOM 691 O THR A 45 17.434 -2.463 3.865 1.00 0.00 O ATOM 692 CB THR A 45 17.699 -0.962 6.637 1.00 0.00 C ATOM 693 OG1 THR A 45 17.601 -2.363 6.925 1.00 0.00 O ATOM 694 CG2 THR A 45 17.162 -0.161 7.813 1.00 0.00 C ATOM 0 H THR A 45 15.338 -1.986 5.081 1.00 0.00 H new ATOM 0 HA THR A 45 16.906 0.443 5.186 1.00 0.00 H new ATOM 0 HB THR A 45 18.744 -0.692 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.095 -2.563 7.747 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.725 -0.412 8.712 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.266 0.904 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.110 -0.400 7.966 1.00 0.00 H new ATOM 702 N LEU A 46 18.513 -0.512 3.519 1.00 0.00 N ATOM 703 CA LEU A 46 19.304 -0.990 2.387 1.00 0.00 C ATOM 704 C LEU A 46 20.789 -0.904 2.734 1.00 0.00 C ATOM 705 O LEU A 46 21.359 0.184 2.805 1.00 0.00 O ATOM 706 CB LEU A 46 19.004 -0.173 1.126 1.00 0.00 C ATOM 707 CG LEU A 46 17.988 -0.798 0.162 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.651 -1.009 0.856 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.816 0.070 -1.078 1.00 0.00 C ATOM 0 H LEU A 46 18.683 0.464 3.761 1.00 0.00 H new ATOM 0 HA LEU A 46 19.038 -2.027 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.637 0.808 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.938 -0.012 0.588 1.00 0.00 H new ATOM 0 HG LEU A 46 18.370 -1.770 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.944 -1.453 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.785 -1.675 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.265 -0.050 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.091 -0.392 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.460 1.058 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.773 0.166 -1.590 1.00 0.00 H new ATOM 721 N THR A 47 21.411 -2.062 2.950 1.00 0.00 N ATOM 722 CA THR A 47 22.826 -2.118 3.307 1.00 0.00 C ATOM 723 C THR A 47 23.647 -2.746 2.193 1.00 0.00 C ATOM 724 O THR A 47 23.132 -3.539 1.404 1.00 0.00 O ATOM 725 CB THR A 47 23.042 -2.945 4.591 1.00 0.00 C ATOM 726 OG1 THR A 47 22.186 -2.467 5.634 1.00 0.00 O ATOM 727 CG2 THR A 47 24.492 -2.875 5.051 1.00 0.00 C ATOM 0 H THR A 47 20.957 -2.973 2.884 1.00 0.00 H new ATOM 0 HA THR A 47 23.151 -1.091 3.471 1.00 0.00 H new ATOM 0 HB THR A 47 22.799 -3.984 4.366 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.656 -1.782 6.155 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.615 -3.467 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 47 25.141 -3.270 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.759 -1.838 5.255 1.00 0.00 H new ATOM 735 N CYS A 48 24.927 -2.393 2.126 1.00 0.00 N ATOM 736 CA CYS A 48 25.800 -2.963 1.119 1.00 0.00 C ATOM 737 C CYS A 48 26.296 -4.301 1.640 1.00 0.00 C ATOM 738 O CYS A 48 26.942 -4.378 2.684 1.00 0.00 O ATOM 739 CB CYS A 48 26.965 -2.019 0.809 1.00 0.00 C ATOM 740 SG CYS A 48 28.136 -2.653 -0.434 1.00 0.00 S ATOM 0 H CYS A 48 25.374 -1.723 2.751 1.00 0.00 H new ATOM 0 HA CYS A 48 25.257 -3.107 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.563 -1.068 0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.508 -1.816 1.732 1.00 0.00 H new ATOM 745 N ASN A 49 25.971 -5.355 0.913 1.00 0.00 N ATOM 746 CA ASN A 49 26.411 -6.689 1.280 1.00 0.00 C ATOM 747 C ASN A 49 27.624 -7.083 0.442 1.00 0.00 C ATOM 748 O ASN A 49 28.049 -6.328 -0.432 1.00 0.00 O ATOM 749 CB ASN A 49 25.275 -7.692 1.083 1.00 0.00 C ATOM 750 CG ASN A 49 24.591 -7.520 -0.255 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.674 -6.567 -0.327 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 24.890 -8.228 -1.213 1.00 0.00 N flip ATOM 0 H ASN A 49 25.404 -5.313 0.066 1.00 0.00 H new ATOM 0 HA ASN A 49 26.695 -6.694 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.669 -8.705 1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.543 -7.572 1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 49 25.603 -8.950 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.425 -8.094 -2.111 1.00 0.00 H new ATOM 759 N SER A 50 28.178 -8.258 0.706 1.00 0.00 N ATOM 760 CA SER A 50 29.339 -8.731 -0.042 1.00 0.00 C ATOM 761 C SER A 50 28.872 -9.459 -1.301 1.00 0.00 C ATOM 762 O SER A 50 29.108 -10.655 -1.477 1.00 0.00 O ATOM 763 CB SER A 50 30.193 -9.654 0.827 1.00 0.00 C ATOM 764 OG SER A 50 31.330 -10.116 0.119 1.00 0.00 O ATOM 0 H SER A 50 27.847 -8.899 1.427 1.00 0.00 H new ATOM 0 HA SER A 50 29.951 -7.877 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.511 -9.122 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.595 -10.504 1.156 1.00 0.00 H new ATOM 0 HG SER A 50 31.041 -10.628 -0.665 1.00 0.00 H new ATOM 770 N ASP A 51 28.203 -8.705 -2.165 1.00 0.00 N ATOM 771 CA ASP A 51 27.668 -9.216 -3.422 1.00 0.00 C ATOM 772 C ASP A 51 27.633 -8.106 -4.467 1.00 0.00 C ATOM 773 O ASP A 51 27.189 -8.308 -5.597 1.00 0.00 O ATOM 774 CB ASP A 51 26.252 -9.746 -3.209 1.00 0.00 C ATOM 775 CG ASP A 51 25.811 -10.692 -4.309 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.466 -10.207 -5.407 1.00 0.00 O ATOM 777 OD2 ASP A 51 25.812 -11.918 -4.071 1.00 0.00 O ATOM 0 H ASP A 51 28.015 -7.714 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 51 28.312 -10.023 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.202 -10.261 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.558 -8.907 -3.157 1.00 0.00 H new ATOM 782 N GLY A 52 28.114 -6.934 -4.069 1.00 0.00 N ATOM 783 CA GLY A 52 28.109 -5.790 -4.963 1.00 0.00 C ATOM 784 C GLY A 52 26.705 -5.382 -5.360 1.00 0.00 C ATOM 785 O GLY A 52 26.490 -4.674 -6.344 1.00 0.00 O ATOM 0 H GLY A 52 28.507 -6.755 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.607 -4.950 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.684 -6.028 -5.858 1.00 0.00 H new ATOM 789 N GLU A 53 25.756 -5.854 -4.561 1.00 0.00 N ATOM 790 CA GLU A 53 24.350 -5.534 -4.769 1.00 0.00 C ATOM 791 C GLU A 53 23.696 -5.108 -3.461 1.00 0.00 C ATOM 792 O GLU A 53 24.291 -5.231 -2.392 1.00 0.00 O ATOM 793 CB GLU A 53 23.604 -6.738 -5.353 1.00 0.00 C ATOM 794 CG GLU A 53 23.193 -7.768 -4.312 1.00 0.00 C ATOM 795 CD GLU A 53 22.466 -8.953 -4.919 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.413 -8.740 -5.554 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.948 -10.094 -4.754 1.00 0.00 O ATOM 0 H GLU A 53 25.936 -6.461 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 53 24.294 -4.706 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.713 -6.385 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.237 -7.220 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.080 -8.121 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.550 -7.293 -3.570 1.00 0.00 H new ATOM 804 N TRP A 54 22.477 -4.593 -3.556 1.00 0.00 N ATOM 805 CA TRP A 54 21.732 -4.169 -2.391 1.00 0.00 C ATOM 806 C TRP A 54 20.787 -5.275 -1.950 1.00 0.00 C ATOM 807 O TRP A 54 19.824 -5.615 -2.638 1.00 0.00 O ATOM 808 CB TRP A 54 20.967 -2.892 -2.720 1.00 0.00 C ATOM 809 CG TRP A 54 21.868 -1.711 -2.914 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.247 -1.143 -4.097 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.512 -0.963 -1.884 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.090 -0.082 -3.858 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.266 0.048 -2.506 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.520 -1.053 -0.494 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.023 0.966 -1.780 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.269 -0.145 0.229 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.012 0.854 -0.415 1.00 0.00 C ATOM 0 H TRP A 54 21.985 -4.460 -4.439 1.00 0.00 H new ATOM 0 HA TRP A 54 22.417 -3.963 -1.568 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.380 -3.048 -3.625 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.263 -2.678 -1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.932 -1.477 -5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.514 0.511 -4.571 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.950 -1.820 0.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.596 1.736 -2.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.282 -0.206 1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.588 1.550 0.177 1.00 0.00 H new ATOM 828 N VAL A 55 21.091 -5.829 -0.783 1.00 0.00 N ATOM 829 CA VAL A 55 20.327 -6.923 -0.203 1.00 0.00 C ATOM 830 C VAL A 55 19.331 -6.380 0.812 1.00 0.00 C ATOM 831 O VAL A 55 19.617 -5.393 1.490 1.00 0.00 O ATOM 832 CB VAL A 55 21.271 -7.932 0.482 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.643 -8.522 1.731 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.667 -9.031 -0.490 1.00 0.00 C ATOM 0 H VAL A 55 21.880 -5.529 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 55 19.786 -7.432 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 55 22.169 -7.395 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.336 -9.229 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.420 -7.723 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.721 -9.039 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.333 -9.735 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.774 -9.555 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.178 -8.592 -1.347 1.00 0.00 H new ATOM 844 N TYR A 56 18.173 -7.032 0.931 1.00 0.00 N ATOM 845 CA TYR A 56 17.175 -6.611 1.911 1.00 0.00 C ATOM 846 C TYR A 56 15.865 -7.380 1.765 1.00 0.00 C ATOM 847 O TYR A 56 15.685 -8.135 0.809 1.00 0.00 O ATOM 848 CB TYR A 56 16.898 -5.108 1.793 1.00 0.00 C ATOM 849 CG TYR A 56 16.535 -4.666 0.390 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.239 -4.809 -0.092 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.488 -4.109 -0.455 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.904 -4.410 -1.372 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.161 -3.707 -1.736 1.00 0.00 C ATOM 854 CZ TYR A 56 15.868 -3.861 -2.190 1.00 0.00 C ATOM 855 OH TYR A 56 15.540 -3.464 -3.465 1.00 0.00 O ATOM 0 H TYR A 56 17.907 -7.841 0.370 1.00 0.00 H new ATOM 0 HA TYR A 56 17.590 -6.831 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.086 -4.843 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.780 -4.558 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.481 -5.239 0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.502 -3.988 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.892 -4.528 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.914 -3.275 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 56 16.334 -3.097 -3.908 1.00 0.00 H new ATOM 865 N ASN A 57 14.951 -7.188 2.710 1.00 0.00 N ATOM 866 CA ASN A 57 13.664 -7.871 2.674 1.00 0.00 C ATOM 867 C ASN A 57 12.609 -6.990 2.022 1.00 0.00 C ATOM 868 O ASN A 57 12.856 -5.816 1.745 1.00 0.00 O ATOM 869 CB ASN A 57 13.223 -8.250 4.090 1.00 0.00 C ATOM 870 CG ASN A 57 14.261 -9.082 4.818 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.140 -8.547 5.493 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.163 -10.401 4.685 1.00 0.00 N ATOM 0 H ASN A 57 15.077 -6.566 3.509 1.00 0.00 H new ATOM 0 HA ASN A 57 13.776 -8.780 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.024 -7.343 4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.287 -8.806 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.833 -11.012 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.418 -10.802 4.115 1.00 0.00 H new ATOM 879 N THR A 58 11.430 -7.554 1.782 1.00 0.00 N ATOM 880 CA THR A 58 10.345 -6.806 1.167 1.00 0.00 C ATOM 881 C THR A 58 9.341 -6.348 2.216 1.00 0.00 C ATOM 882 O THR A 58 8.333 -7.010 2.459 1.00 0.00 O ATOM 883 CB THR A 58 9.609 -7.634 0.097 1.00 0.00 C ATOM 884 OG1 THR A 58 10.552 -8.178 -0.835 1.00 0.00 O ATOM 885 CG2 THR A 58 8.598 -6.773 -0.644 1.00 0.00 C ATOM 0 H THR A 58 11.204 -8.524 2.004 1.00 0.00 H new ATOM 0 HA THR A 58 10.797 -5.939 0.685 1.00 0.00 H new ATOM 0 HB THR A 58 9.080 -8.447 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.077 -8.705 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.088 -7.376 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.867 -6.380 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.113 -5.945 -1.131 1.00 0.00 H new ATOM 893 N PHE A 59 9.634 -5.218 2.844 1.00 0.00 N ATOM 894 CA PHE A 59 8.760 -4.664 3.866 1.00 0.00 C ATOM 895 C PHE A 59 7.516 -4.049 3.228 1.00 0.00 C ATOM 896 O PHE A 59 6.701 -4.762 2.642 1.00 0.00 O ATOM 897 CB PHE A 59 9.509 -3.629 4.713 1.00 0.00 C ATOM 898 CG PHE A 59 10.536 -2.836 3.950 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.820 -3.330 3.775 1.00 0.00 C ATOM 900 CD2 PHE A 59 10.222 -1.598 3.415 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.768 -2.605 3.079 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.166 -0.867 2.720 1.00 0.00 C ATOM 903 CZ PHE A 59 12.440 -1.371 2.551 1.00 0.00 C ATOM 0 H PHE A 59 10.473 -4.666 2.662 1.00 0.00 H new ATOM 0 HA PHE A 59 8.441 -5.472 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.785 -2.941 5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.002 -4.140 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.082 -4.293 4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 59 9.227 -1.199 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.764 -3.002 2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.908 0.098 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.179 -0.802 2.007 1.00 0.00 H new ATOM 913 N CYS A 60 7.370 -2.731 3.341 1.00 0.00 N ATOM 914 CA CYS A 60 6.230 -2.038 2.752 1.00 0.00 C ATOM 915 C CYS A 60 6.109 -2.424 1.280 1.00 0.00 C ATOM 916 O CYS A 60 7.114 -2.726 0.640 1.00 0.00 O ATOM 917 CB CYS A 60 6.409 -0.523 2.899 1.00 0.00 C ATOM 918 SG CYS A 60 6.929 0.011 4.563 1.00 0.00 S ATOM 0 H CYS A 60 8.025 -2.124 3.834 1.00 0.00 H new ATOM 0 HA CYS A 60 5.316 -2.329 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.148 -0.184 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.469 -0.032 2.649 1.00 0.00 H new ATOM 923 N ILE A 61 4.889 -2.436 0.737 1.00 0.00 N ATOM 924 CA ILE A 61 4.706 -2.811 -0.665 1.00 0.00 C ATOM 925 C ILE A 61 3.629 -1.998 -1.366 1.00 0.00 C ATOM 926 O ILE A 61 3.816 -1.575 -2.507 1.00 0.00 O ATOM 927 CB ILE A 61 4.366 -4.304 -0.812 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.017 -4.628 -0.169 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.456 -5.147 -0.183 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.567 -6.049 -0.419 1.00 0.00 C ATOM 0 H ILE A 61 4.031 -2.196 1.234 1.00 0.00 H new ATOM 0 HA ILE A 61 5.662 -2.598 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 61 4.299 -4.535 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.083 -4.458 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.263 -3.941 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.208 -6.203 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.405 -4.945 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.541 -4.901 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.604 -6.216 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.470 -6.216 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.303 -6.741 -0.009 1.00 0.00 H new ATOM 942 N TYR A 62 2.505 -1.793 -0.691 1.00 0.00 N ATOM 943 CA TYR A 62 1.400 -1.036 -1.282 1.00 0.00 C ATOM 944 C TYR A 62 0.705 -1.850 -2.374 1.00 0.00 C ATOM 945 O TYR A 62 1.309 -2.248 -3.371 1.00 0.00 O ATOM 946 CB TYR A 62 1.895 0.301 -1.842 1.00 0.00 C ATOM 947 CG TYR A 62 1.141 1.493 -1.306 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.247 1.547 -1.349 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.823 2.566 -0.749 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.932 2.637 -0.849 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.147 3.659 -0.249 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.229 3.691 -0.301 1.00 0.00 C ATOM 953 OH TYR A 62 -0.900 4.777 0.205 1.00 0.00 O ATOM 0 H TYR A 62 2.332 -2.134 0.255 1.00 0.00 H new ATOM 0 HA TYR A 62 0.674 -0.830 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.953 0.415 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.809 0.285 -2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.798 0.724 -1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.902 2.544 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.011 2.665 -0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.693 4.485 0.181 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.268 5.366 0.667 1.00 0.00 H new ATOM 963 N LYS A 63 -0.586 -2.081 -2.145 1.00 0.00 N ATOM 964 CA LYS A 63 -1.446 -2.850 -3.042 1.00 0.00 C ATOM 965 C LYS A 63 -2.898 -2.539 -2.702 1.00 0.00 C ATOM 966 O LYS A 63 -3.397 -2.957 -1.658 1.00 0.00 O ATOM 967 CB LYS A 63 -1.176 -4.355 -2.914 1.00 0.00 C ATOM 968 CG LYS A 63 -0.711 -4.790 -1.531 1.00 0.00 C ATOM 969 CD LYS A 63 -1.311 -6.133 -1.137 1.00 0.00 C ATOM 970 CE LYS A 63 -0.550 -6.775 0.007 1.00 0.00 C ATOM 971 NZ LYS A 63 -1.262 -7.959 0.558 1.00 0.00 N ATOM 0 H LYS A 63 -1.072 -1.734 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.234 -2.569 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.086 -4.899 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.420 -4.641 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.377 -4.858 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.993 -4.035 -0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.353 -5.995 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.304 -6.801 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.439 -7.076 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.400 -6.041 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.999 -8.089 1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.289 -7.810 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.997 -8.806 0.016 1.00 0.00 H new ATOM 985 N ARG A 64 -3.583 -1.813 -3.584 1.00 0.00 N ATOM 986 CA ARG A 64 -4.964 -1.411 -3.348 1.00 0.00 C ATOM 987 C ARG A 64 -5.939 -2.361 -4.035 1.00 0.00 C ATOM 988 O ARG A 64 -5.529 -3.262 -4.761 1.00 0.00 O ATOM 989 CB ARG A 64 -5.188 0.018 -3.855 1.00 0.00 C ATOM 990 CG ARG A 64 -4.596 0.281 -5.230 1.00 0.00 C ATOM 991 CD ARG A 64 -3.127 0.665 -5.143 1.00 0.00 C ATOM 992 NE ARG A 64 -2.940 1.993 -4.564 1.00 0.00 N ATOM 993 CZ ARG A 64 -1.748 2.551 -4.368 1.00 0.00 C ATOM 994 NH1 ARG A 64 -0.643 1.897 -4.703 1.00 0.00 N ATOM 995 NH2 ARG A 64 -1.661 3.763 -3.838 1.00 0.00 N ATOM 0 H ARG A 64 -3.199 -1.491 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.148 -1.449 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.259 0.219 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.753 0.719 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.704 -0.609 -5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.153 1.080 -5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.595 -0.071 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.686 0.639 -6.140 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.769 2.522 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.706 0.965 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.270 2.327 -4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.508 4.269 -3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.747 4.190 -3.688 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.231 -2.130 -3.832 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.259 -2.976 -4.419 1.00 0.00 C ATOM 1011 C CYS A 65 -8.960 -2.233 -5.539 1.00 0.00 C ATOM 1012 O CYS A 65 -8.953 -1.002 -5.571 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.279 -3.393 -3.356 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.920 -2.764 -1.683 1.00 0.00 S ATOM 0 H CYS A 65 -7.590 -1.362 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.786 -3.872 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.266 -3.043 -3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.324 -4.481 -3.320 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.562 -2.972 -6.459 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.267 -2.340 -7.558 1.00 0.00 C ATOM 1021 C ARG A 66 -11.356 -1.435 -7.005 1.00 0.00 C ATOM 1022 O ARG A 66 -12.012 -1.763 -6.019 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.857 -3.383 -8.509 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.748 -2.790 -9.588 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.979 -1.817 -10.467 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.015 -2.497 -11.326 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.470 -1.941 -12.404 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.794 -0.703 -12.751 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.599 -2.623 -13.136 1.00 0.00 N ATOM 0 H ARG A 66 -9.576 -3.992 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.560 -1.741 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.043 -3.931 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.433 -4.105 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.160 -3.590 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.591 -2.277 -9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.680 -1.255 -11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.458 -1.095 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.744 -3.451 -11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.463 -0.175 -12.191 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.374 -0.279 -13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.346 -3.575 -12.872 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.182 -2.195 -13.963 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.539 -0.299 -7.652 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.543 0.664 -7.222 1.00 0.00 C ATOM 1045 C HIS A 67 -13.887 -0.020 -6.968 1.00 0.00 C ATOM 1046 O HIS A 67 -14.426 -0.692 -7.847 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.705 1.762 -8.273 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.549 2.908 -7.808 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.719 3.286 -8.433 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.384 3.761 -6.771 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.237 4.323 -7.799 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.446 4.630 -6.787 1.00 0.00 N ATOM 0 H HIS A 67 -11.008 -0.018 -8.476 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.205 1.111 -6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.720 2.136 -8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.150 1.333 -9.171 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.569 3.759 -6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.152 4.833 -8.063 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.600 5.390 -6.124 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.437 0.144 -5.749 1.00 0.00 N ATOM 1062 CA PRO A 68 -15.724 -0.432 -5.351 1.00 0.00 C ATOM 1063 C PRO A 68 -16.776 -0.342 -6.446 1.00 0.00 C ATOM 1064 O PRO A 68 -17.579 -1.257 -6.633 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.154 0.445 -4.163 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.079 1.468 -3.980 1.00 0.00 C ATOM 1067 CD PRO A 68 -13.858 0.924 -4.657 1.00 0.00 C ATOM 0 HA PRO A 68 -15.628 -1.494 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.114 0.922 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.276 -0.155 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.373 2.422 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.889 1.647 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.207 1.718 -5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.261 0.306 -3.986 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.761 0.770 -7.166 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.740 0.992 -8.208 1.00 0.00 C ATOM 1077 C GLY A 69 -18.857 1.883 -7.713 1.00 0.00 C ATOM 1078 O GLY A 69 -18.819 2.407 -6.600 1.00 0.00 O ATOM 0 H GLY A 69 -16.085 1.525 -7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.260 1.449 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.149 0.037 -8.538 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.854 2.042 -8.573 1.00 0.00 N ATOM 1083 CA GLU A 70 -21.001 2.875 -8.265 1.00 0.00 C ATOM 1084 C GLU A 70 -22.031 2.125 -7.434 1.00 0.00 C ATOM 1085 O GLU A 70 -22.428 1.005 -7.756 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.633 3.408 -9.552 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.854 4.284 -9.319 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.537 5.525 -8.509 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.053 6.512 -9.102 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.776 5.512 -7.283 1.00 0.00 O ATOM 0 H GLU A 70 -19.888 1.602 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.650 3.718 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.886 3.980 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.917 2.565 -10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.273 4.580 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -23.619 3.704 -8.803 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.450 2.773 -6.357 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.464 2.234 -5.465 1.00 0.00 C ATOM 1099 C LEU A 71 -24.777 2.947 -5.767 1.00 0.00 C ATOM 1100 O LEU A 71 -24.972 4.093 -5.365 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.040 2.432 -4.003 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.151 2.281 -2.966 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.652 0.848 -2.901 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.677 2.745 -1.597 1.00 0.00 C ATOM 0 H LEU A 71 -22.096 3.688 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.588 1.162 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.252 1.715 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.606 3.427 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.983 2.914 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.442 0.772 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.044 0.555 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.830 0.187 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.484 2.629 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.822 2.145 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.385 3.794 -1.649 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.669 2.274 -6.493 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.953 2.870 -6.857 1.00 0.00 C ATOM 1118 C ARG A 72 -27.776 3.196 -5.617 1.00 0.00 C ATOM 1119 O ARG A 72 -28.051 2.341 -4.773 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.727 1.973 -7.823 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.985 2.610 -8.388 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.693 1.668 -9.348 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.874 2.277 -9.951 1.00 0.00 N ATOM 1124 CZ ARG A 72 -31.810 1.585 -10.595 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -31.708 0.268 -10.706 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -32.852 2.212 -11.125 1.00 0.00 N ATOM 0 H ARG A 72 -25.528 1.324 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.751 3.808 -7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -27.071 1.695 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.999 1.052 -7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.658 2.877 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.727 3.534 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.001 1.366 -10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.985 0.763 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.988 3.288 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.910 -0.218 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -32.428 -0.259 -11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.936 3.225 -11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -33.570 1.681 -11.619 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.145 4.474 -5.546 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.899 5.047 -4.434 1.00 0.00 C ATOM 1142 C ASN A 73 -27.954 5.269 -3.264 1.00 0.00 C ATOM 1143 O ASN A 73 -28.388 5.581 -2.156 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.091 4.171 -4.036 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.193 4.174 -5.079 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.816 4.294 -6.347 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -32.374 4.064 -4.748 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.923 5.153 -6.274 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.319 6.003 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.749 3.148 -3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.494 4.523 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.621 3.974 -3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -33.105 4.063 -5.459 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.661 5.105 -3.515 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.693 5.312 -2.457 1.00 0.00 C ATOM 1156 C GLY A 74 -24.527 6.193 -2.866 1.00 0.00 C ATOM 1157 O GLY A 74 -24.493 6.727 -3.975 1.00 0.00 O ATOM 0 H GLY A 74 -26.270 4.836 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.194 5.761 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.310 4.345 -2.131 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.570 6.337 -1.953 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.393 7.162 -2.201 1.00 0.00 C ATOM 1163 C GLN A 75 -21.144 6.541 -1.574 1.00 0.00 C ATOM 1164 O GLN A 75 -20.744 6.906 -0.467 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.608 8.578 -1.662 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.656 9.365 -2.434 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.858 10.765 -1.889 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -22.940 11.365 -1.329 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -25.065 11.294 -2.053 1.00 0.00 N ATOM 0 H GLN A 75 -23.587 5.893 -1.035 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.242 7.216 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.907 8.519 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.662 9.119 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.359 9.427 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.604 8.827 -2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -25.796 10.760 -2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -25.261 12.234 -1.709 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.551 5.588 -2.290 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.344 4.905 -1.827 1.00 0.00 C ATOM 1180 C VAL A 76 -18.309 5.890 -1.295 1.00 0.00 C ATOM 1181 O VAL A 76 -17.767 6.700 -2.048 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.700 4.085 -2.960 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.502 3.304 -2.441 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.721 3.151 -3.589 1.00 0.00 C ATOM 0 H VAL A 76 -20.889 5.270 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.655 4.240 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.350 4.774 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.060 2.731 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.761 3.997 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.825 2.624 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.248 2.580 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.104 2.467 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.544 3.735 -4.000 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.036 5.819 0.004 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.060 6.708 0.622 1.00 0.00 C ATOM 1196 C GLU A 77 -15.635 6.256 0.313 1.00 0.00 C ATOM 1197 O GLU A 77 -15.126 5.311 0.916 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.268 6.764 2.137 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.272 7.665 2.849 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.501 9.135 2.558 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.991 9.623 1.527 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -17.191 9.799 3.361 1.00 0.00 O ATOM 0 H GLU A 77 -18.475 5.159 0.646 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.207 7.704 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.278 7.116 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.191 5.756 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.340 7.497 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.261 7.392 2.547 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.003 6.939 -0.633 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.634 6.624 -1.028 1.00 0.00 C ATOM 1211 C ILE A 78 -12.731 7.834 -0.821 1.00 0.00 C ATOM 1212 O ILE A 78 -13.126 8.967 -1.098 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.557 6.172 -2.501 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.196 4.791 -2.671 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.114 6.161 -2.989 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.483 3.686 -1.917 1.00 0.00 C ATOM 0 H ILE A 78 -15.418 7.718 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.295 5.801 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.113 6.886 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.232 4.837 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.216 4.539 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.084 5.839 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.695 7.164 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.529 5.472 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.996 2.739 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.454 3.610 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.486 3.913 -0.851 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.519 7.592 -0.334 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.578 8.674 -0.078 1.00 0.00 C ATOM 1230 C LYS A 79 -9.147 8.163 0.014 1.00 0.00 C ATOM 1231 O LYS A 79 -8.233 8.736 -0.581 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.946 9.401 1.221 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.994 8.503 2.453 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.162 7.528 2.407 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.367 6.836 3.745 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.449 5.815 3.683 1.00 0.00 N ATOM 0 H LYS A 79 -11.167 6.661 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.640 9.367 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.223 10.198 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.919 9.876 1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.060 7.946 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.073 9.120 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.071 8.061 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.983 6.781 1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.436 6.360 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.612 7.579 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.207 6.071 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.834 5.775 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.063 4.884 3.940 1.00 0.00 H new ATOM 1250 N THR A 80 -8.959 7.086 0.761 1.00 0.00 N ATOM 1251 CA THR A 80 -7.636 6.512 0.952 1.00 0.00 C ATOM 1252 C THR A 80 -7.191 5.708 -0.261 1.00 0.00 C ATOM 1253 O THR A 80 -6.235 4.936 -0.187 1.00 0.00 O ATOM 1254 CB THR A 80 -7.605 5.610 2.195 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.456 4.473 1.999 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.059 6.383 3.424 1.00 0.00 C ATOM 0 H THR A 80 -9.708 6.591 1.246 1.00 0.00 H new ATOM 0 HA THR A 80 -6.946 7.345 1.090 1.00 0.00 H new ATOM 0 HB THR A 80 -6.581 5.271 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.429 3.903 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.031 5.729 4.296 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.395 7.232 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.077 6.742 3.272 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.889 5.893 -1.380 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.561 5.180 -2.611 1.00 0.00 C ATOM 1266 C ASP A 81 -7.686 3.679 -2.427 1.00 0.00 C ATOM 1267 O ASP A 81 -7.347 2.901 -3.320 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.143 5.498 -3.047 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.001 6.899 -3.609 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.335 7.100 -4.795 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.556 7.796 -2.862 1.00 0.00 O ATOM 0 H ASP A 81 -8.683 6.529 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.268 5.508 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.472 5.383 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.829 4.776 -3.800 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.165 3.284 -1.257 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.356 1.882 -0.930 1.00 0.00 C ATOM 1278 C LEU A 82 -7.022 1.162 -0.818 1.00 0.00 C ATOM 1279 O LEU A 82 -6.776 0.180 -1.515 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.210 1.238 -2.001 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.552 1.918 -2.223 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.551 2.709 -3.522 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.647 0.885 -2.217 1.00 0.00 C ATOM 0 H LEU A 82 -8.431 3.926 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.856 1.808 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.656 1.238 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.384 0.196 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.731 2.624 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.522 3.186 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.774 3.472 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.357 2.036 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.609 1.373 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.470 0.163 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.656 0.370 -1.256 1.00 0.00 H new ATOM 1295 N SER A 83 -6.176 1.642 0.075 1.00 0.00 N ATOM 1296 CA SER A 83 -4.867 1.038 0.291 1.00 0.00 C ATOM 1297 C SER A 83 -4.980 -0.170 1.220 1.00 0.00 C ATOM 1298 O SER A 83 -4.277 -0.256 2.228 1.00 0.00 O ATOM 1299 CB SER A 83 -3.906 2.069 0.885 1.00 0.00 C ATOM 1300 OG SER A 83 -4.406 2.592 2.103 1.00 0.00 O ATOM 0 H SER A 83 -6.370 2.451 0.666 1.00 0.00 H new ATOM 0 HA SER A 83 -4.478 0.701 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.933 1.608 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.753 2.880 0.173 1.00 0.00 H new ATOM 0 HG SER A 83 -4.448 1.878 2.773 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.875 -1.098 0.874 1.00 0.00 N ATOM 1307 CA PHE A 84 -6.091 -2.305 1.673 1.00 0.00 C ATOM 1308 C PHE A 84 -6.717 -1.943 3.019 1.00 0.00 C ATOM 1309 O PHE A 84 -6.906 -0.764 3.319 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.768 -3.053 1.872 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.915 -4.428 2.463 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.484 -5.460 1.733 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.476 -4.686 3.752 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.612 -6.722 2.279 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.602 -5.946 4.302 1.00 0.00 C ATOM 1316 CZ PHE A 84 -5.170 -6.967 3.565 1.00 0.00 C ATOM 0 H PHE A 84 -6.463 -1.036 0.043 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.779 -2.962 1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.263 -3.136 0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.123 -2.459 2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.831 -5.275 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.030 -3.892 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.058 -7.518 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.257 -6.133 5.308 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.268 -7.954 3.993 1.00 0.00 H new ATOM 1326 N GLY A 85 -7.022 -2.957 3.832 1.00 0.00 N ATOM 1327 CA GLY A 85 -7.637 -2.719 5.129 1.00 0.00 C ATOM 1328 C GLY A 85 -8.704 -1.644 5.077 1.00 0.00 C ATOM 1329 O GLY A 85 -8.915 -0.922 6.051 1.00 0.00 O ATOM 0 H GLY A 85 -6.853 -3.939 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.078 -3.647 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.868 -2.428 5.844 1.00 0.00 H new ATOM 1333 N SER A 86 -9.378 -1.541 3.937 1.00 0.00 N ATOM 1334 CA SER A 86 -10.418 -0.539 3.757 1.00 0.00 C ATOM 1335 C SER A 86 -11.806 -1.145 3.893 1.00 0.00 C ATOM 1336 O SER A 86 -12.076 -2.229 3.379 1.00 0.00 O ATOM 1337 CB SER A 86 -10.276 0.130 2.388 1.00 0.00 C ATOM 1338 OG SER A 86 -10.400 -0.817 1.343 1.00 0.00 O ATOM 0 H SER A 86 -9.222 -2.139 3.126 1.00 0.00 H new ATOM 0 HA SER A 86 -10.297 0.209 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.038 0.902 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.308 0.626 2.321 1.00 0.00 H new ATOM 0 HG SER A 86 -10.307 -0.364 0.479 1.00 0.00 H new ATOM 1344 N GLN A 87 -12.673 -0.433 4.603 1.00 0.00 N ATOM 1345 CA GLN A 87 -14.042 -0.887 4.801 1.00 0.00 C ATOM 1346 C GLN A 87 -14.972 -0.044 3.943 1.00 0.00 C ATOM 1347 O GLN A 87 -15.938 -0.544 3.372 1.00 0.00 O ATOM 1348 CB GLN A 87 -14.457 -0.804 6.272 1.00 0.00 C ATOM 1349 CG GLN A 87 -13.304 -0.972 7.247 1.00 0.00 C ATOM 1350 CD GLN A 87 -12.548 0.321 7.466 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -13.253 1.439 7.336 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -11.350 0.317 7.746 1.00 0.00 N flip ATOM 0 H GLN A 87 -12.453 0.457 5.049 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.107 -1.934 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.934 0.160 6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.204 -1.572 6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.687 -1.333 8.201 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.619 -1.732 6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.850 -0.568 7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.857 1.198 7.889 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.664 1.249 3.885 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.424 2.217 3.092 1.00 0.00 C ATOM 1363 C ILE A 88 -16.923 2.072 3.323 1.00 0.00 C ATOM 1364 O ILE A 88 -17.592 1.242 2.706 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.102 2.137 1.577 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.401 0.749 1.001 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.645 2.505 1.337 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.239 0.668 -0.502 1.00 0.00 C ATOM 0 H ILE A 88 -13.877 1.659 4.388 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.111 3.202 3.438 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.747 2.849 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.739 0.020 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.421 0.468 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.426 2.447 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.463 3.520 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.001 1.812 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.467 -0.343 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.921 1.372 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.213 0.917 -0.771 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.440 2.895 4.225 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.850 2.871 4.562 1.00 0.00 C ATOM 1382 C GLU A 89 -19.708 3.371 3.406 1.00 0.00 C ATOM 1383 O GLU A 89 -19.379 4.362 2.756 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.105 3.727 5.800 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.020 2.954 7.103 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.385 3.801 8.307 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.499 4.513 8.823 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -20.559 3.753 8.732 1.00 0.00 O ATOM 0 H GLU A 89 -16.897 3.590 4.737 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.127 1.837 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.381 4.542 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.093 4.180 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.686 2.092 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.008 2.569 7.228 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.809 2.673 3.159 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.732 3.046 2.098 1.00 0.00 C ATOM 1397 C PHE A 90 -22.864 3.878 2.679 1.00 0.00 C ATOM 1398 O PHE A 90 -23.265 3.663 3.823 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.282 1.793 1.420 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.207 0.838 0.990 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.617 0.952 -0.258 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.784 -0.171 1.840 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.624 0.076 -0.651 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.794 -1.050 1.452 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.212 -0.927 0.205 1.00 0.00 C ATOM 0 H PHE A 90 -21.084 1.842 3.682 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.205 3.639 1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.960 1.284 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.869 2.086 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.937 1.734 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.234 -0.270 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.170 0.175 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.474 -1.834 2.123 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.436 -1.614 -0.100 1.00 0.00 H new ATOM 1415 N SER A 91 -23.388 4.826 1.907 1.00 0.00 N ATOM 1416 CA SER A 91 -24.459 5.685 2.388 1.00 0.00 C ATOM 1417 C SER A 91 -25.640 5.714 1.428 1.00 0.00 C ATOM 1418 O SER A 91 -25.524 6.166 0.290 1.00 0.00 O ATOM 1419 CB SER A 91 -23.942 7.106 2.608 1.00 0.00 C ATOM 1420 OG SER A 91 -23.324 7.614 1.439 1.00 0.00 O ATOM 0 H SER A 91 -23.088 5.016 0.951 1.00 0.00 H new ATOM 0 HA SER A 91 -24.805 5.270 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.768 7.756 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.228 7.112 3.432 1.00 0.00 H new ATOM 0 HG SER A 91 -23.786 7.267 0.648 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.775 5.238 1.913 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.980 5.239 1.098 1.00 0.00 C ATOM 1428 C CYS A 92 -28.656 6.599 1.221 1.00 0.00 C ATOM 1429 O CYS A 92 -29.052 7.009 2.311 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.933 4.112 1.505 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.317 2.438 1.117 1.00 0.00 S ATOM 0 H CYS A 92 -26.888 4.852 2.850 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.707 5.060 0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.121 4.179 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.889 4.261 1.004 1.00 0.00 H new ATOM 1436 N SER A 93 -28.766 7.297 0.093 1.00 0.00 N ATOM 1437 CA SER A 93 -29.367 8.633 0.064 1.00 0.00 C ATOM 1438 C SER A 93 -30.668 8.701 0.855 1.00 0.00 C ATOM 1439 O SER A 93 -31.240 7.678 1.231 1.00 0.00 O ATOM 1440 CB SER A 93 -29.633 9.068 -1.376 1.00 0.00 C ATOM 1441 OG SER A 93 -30.257 8.032 -2.116 1.00 0.00 O ATOM 0 H SER A 93 -28.447 6.961 -0.816 1.00 0.00 H new ATOM 0 HA SER A 93 -28.651 9.308 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.267 9.954 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 93 -28.694 9.346 -1.854 1.00 0.00 H new ATOM 0 HG SER A 93 -29.618 7.303 -2.260 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.127 9.928 1.090 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.363 10.176 1.824 1.00 0.00 C ATOM 1449 C GLU A 94 -33.461 9.211 1.387 1.00 0.00 C ATOM 1450 O GLU A 94 -33.493 8.766 0.240 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.807 11.625 1.605 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.237 11.901 2.027 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.590 13.374 1.961 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.358 14.086 2.961 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.098 13.816 0.909 1.00 0.00 O ATOM 0 H GLU A 94 -30.653 10.776 0.777 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.178 10.012 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.141 12.286 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.696 11.873 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.916 11.339 1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.388 11.540 3.044 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.367 8.901 2.312 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.460 7.992 2.021 1.00 0.00 C ATOM 1464 C GLY A 95 -35.017 6.542 1.940 1.00 0.00 C ATOM 1465 O GLY A 95 -35.788 5.638 2.258 1.00 0.00 O ATOM 0 H GLY A 95 -34.361 9.267 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.223 8.091 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.923 8.279 1.077 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.778 6.317 1.515 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.257 4.960 1.382 1.00 0.00 C ATOM 1471 C PHE A 96 -32.198 4.696 2.449 1.00 0.00 C ATOM 1472 O PHE A 96 -31.338 5.538 2.703 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.650 4.755 -0.008 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.525 5.231 -1.132 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.614 4.483 -1.543 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.255 6.427 -1.777 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.420 4.917 -2.578 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -34.057 6.867 -2.814 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.141 6.111 -3.215 1.00 0.00 C ATOM 0 H PHE A 96 -33.119 7.052 1.258 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.082 4.260 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.695 5.279 -0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.440 3.695 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.837 3.549 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.409 7.022 -1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.267 4.324 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.836 7.801 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.769 6.452 -4.025 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.266 3.524 3.078 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.305 3.165 4.115 1.00 0.00 C ATOM 1491 C PHE A 97 -30.358 2.075 3.630 1.00 0.00 C ATOM 1492 O PHE A 97 -30.588 1.427 2.609 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.026 2.731 5.397 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.798 1.448 5.276 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.944 1.380 4.502 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.383 0.311 5.952 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.663 0.205 4.403 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.097 -0.868 5.856 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.238 -0.921 5.080 1.00 0.00 C ATOM 0 H PHE A 97 -32.972 2.812 2.888 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.709 4.049 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.290 2.623 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.710 3.524 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.280 2.257 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.492 0.347 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.556 0.167 3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.763 -1.747 6.387 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.797 -1.842 5.003 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.294 1.883 4.405 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.268 0.900 4.082 1.00 0.00 C ATOM 1511 C LEU A 98 -28.641 -0.479 4.612 1.00 0.00 C ATOM 1512 O LEU A 98 -29.146 -0.615 5.728 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.923 1.347 4.672 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.675 0.634 4.129 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.624 -0.812 4.597 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.625 0.708 2.612 1.00 0.00 C ATOM 0 H LEU A 98 -29.121 2.400 5.267 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.185 0.831 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.810 2.417 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.958 1.203 5.752 1.00 0.00 H new ATOM 0 HG LEU A 98 -24.799 1.148 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.731 -1.292 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.596 -0.841 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.509 -1.340 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.733 0.196 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.511 0.229 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.596 1.752 2.299 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.384 -1.500 3.800 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.656 -2.890 4.153 1.00 0.00 C ATOM 1530 C ILE A 99 -27.764 -3.806 3.337 1.00 0.00 C ATOM 1531 O ILE A 99 -27.750 -3.765 2.109 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.111 -3.290 3.851 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.958 -2.056 3.567 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.688 -4.093 5.001 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.243 -2.357 2.829 1.00 0.00 C ATOM 0 H ILE A 99 -27.978 -1.385 2.871 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.469 -2.987 5.222 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.122 -3.917 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.198 -1.566 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.370 -1.350 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.718 -4.368 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.095 -4.996 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.667 -3.493 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.793 -1.431 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.012 -2.819 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.852 -3.039 3.422 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.027 -4.642 4.056 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.102 -5.563 3.431 1.00 0.00 C ATOM 1549 C GLY A 100 -24.827 -5.690 4.232 1.00 0.00 C ATOM 1550 O GLY A 100 -24.496 -6.758 4.748 1.00 0.00 O ATOM 0 H GLY A 100 -27.056 -4.697 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.571 -6.542 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.868 -5.219 2.423 1.00 0.00 H new ATOM 1554 N SER A 101 -24.124 -4.572 4.328 1.00 0.00 N ATOM 1555 CA SER A 101 -22.871 -4.476 5.055 1.00 0.00 C ATOM 1556 C SER A 101 -22.324 -3.069 4.882 1.00 0.00 C ATOM 1557 O SER A 101 -21.735 -2.753 3.847 1.00 0.00 O ATOM 1558 CB SER A 101 -21.864 -5.503 4.531 1.00 0.00 C ATOM 1559 OG SER A 101 -21.407 -5.160 3.234 1.00 0.00 O ATOM 0 H SER A 101 -24.413 -3.694 3.896 1.00 0.00 H new ATOM 0 HA SER A 101 -23.042 -4.685 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.016 -5.565 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.327 -6.490 4.507 1.00 0.00 H new ATOM 0 HG SER A 101 -21.548 -4.203 3.080 1.00 0.00 H new ATOM 1565 N THR A 102 -22.526 -2.212 5.878 1.00 0.00 N ATOM 1566 CA THR A 102 -22.067 -0.836 5.783 1.00 0.00 C ATOM 1567 C THR A 102 -20.567 -0.784 5.579 1.00 0.00 C ATOM 1568 O THR A 102 -20.011 0.272 5.290 1.00 0.00 O ATOM 1569 CB THR A 102 -22.428 -0.015 7.036 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.839 -0.611 8.199 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.934 0.075 7.221 1.00 0.00 C ATOM 0 H THR A 102 -23.000 -2.445 6.751 1.00 0.00 H new ATOM 0 HA THR A 102 -22.575 -0.398 4.924 1.00 0.00 H new ATOM 0 HB THR A 102 -22.036 0.993 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.072 -0.082 8.991 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.157 0.660 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.379 0.557 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.347 -0.927 7.332 1.00 0.00 H new ATOM 1579 N THR A 103 -19.913 -1.921 5.730 1.00 0.00 N ATOM 1580 CA THR A 103 -18.488 -1.983 5.530 1.00 0.00 C ATOM 1581 C THR A 103 -18.164 -2.984 4.437 1.00 0.00 C ATOM 1582 O THR A 103 -18.986 -3.832 4.092 1.00 0.00 O ATOM 1583 CB THR A 103 -17.744 -2.347 6.817 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.095 -3.670 7.239 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.059 -1.349 7.921 1.00 0.00 C ATOM 0 H THR A 103 -20.348 -2.806 5.989 1.00 0.00 H new ATOM 0 HA THR A 103 -18.152 -0.991 5.229 1.00 0.00 H new ATOM 0 HB THR A 103 -16.674 -2.313 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.611 -3.890 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.520 -1.626 8.827 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.753 -0.351 7.608 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.131 -1.354 8.121 1.00 0.00 H new ATOM 1593 N SER A 104 -16.966 -2.879 3.896 1.00 0.00 N ATOM 1594 CA SER A 104 -16.505 -3.783 2.863 1.00 0.00 C ATOM 1595 C SER A 104 -14.988 -3.850 2.911 1.00 0.00 C ATOM 1596 O SER A 104 -14.308 -2.860 2.655 1.00 0.00 O ATOM 1597 CB SER A 104 -16.989 -3.331 1.484 1.00 0.00 C ATOM 1598 OG SER A 104 -18.372 -3.590 1.324 1.00 0.00 O ATOM 0 H SER A 104 -16.287 -2.166 4.160 1.00 0.00 H new ATOM 0 HA SER A 104 -16.918 -4.776 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.798 -2.265 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.426 -3.850 0.708 1.00 0.00 H new ATOM 0 HG SER A 104 -18.787 -2.854 0.827 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.467 -5.025 3.231 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.024 -5.229 3.351 1.00 0.00 C ATOM 1606 C ARG A 105 -12.408 -5.740 2.051 1.00 0.00 C ATOM 1607 O ARG A 105 -13.111 -6.184 1.146 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.727 -6.209 4.487 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.276 -5.764 5.833 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.899 -6.735 6.940 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.519 -8.044 6.755 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.338 -9.070 7.580 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.551 -8.944 8.641 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.944 -10.226 7.346 1.00 0.00 N ATOM 0 H ARG A 105 -15.024 -5.860 3.414 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.574 -4.261 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.149 -7.182 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.648 -6.341 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.893 -4.772 6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.361 -5.682 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.815 -6.848 6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.203 -6.323 7.902 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.126 -8.179 5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.082 -8.057 8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.415 -9.734 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.550 -10.329 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.804 -11.013 7.980 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.078 -5.689 1.988 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.333 -6.134 0.816 1.00 0.00 C ATOM 1630 C CYS A 106 -9.485 -7.340 1.177 1.00 0.00 C ATOM 1631 O CYS A 106 -8.588 -7.250 2.016 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.435 -5.012 0.288 1.00 0.00 C ATOM 1633 SG CYS A 106 -10.330 -3.646 -0.520 1.00 0.00 S ATOM 0 H CYS A 106 -10.491 -5.339 2.745 1.00 0.00 H new ATOM 0 HA CYS A 106 -11.044 -6.407 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.853 -4.609 1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.725 -5.436 -0.423 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.769 -8.469 0.548 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.056 -9.695 0.836 1.00 0.00 C ATOM 1640 C GLU A 107 -8.057 -10.028 -0.262 1.00 0.00 C ATOM 1641 O GLU A 107 -8.424 -10.398 -1.375 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.052 -10.833 1.027 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.416 -12.142 1.467 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.440 -13.227 1.734 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -10.997 -13.770 0.757 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.687 -13.533 2.919 1.00 0.00 O ATOM 0 H GLU A 107 -10.491 -8.558 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.489 -9.558 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.793 -10.533 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.586 -10.996 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.724 -12.482 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.829 -11.971 2.370 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.788 -9.903 0.083 1.00 0.00 N ATOM 1654 CA VAL A 108 -5.723 -10.187 -0.860 1.00 0.00 C ATOM 1655 C VAL A 108 -5.444 -11.685 -0.889 1.00 0.00 C ATOM 1656 O VAL A 108 -5.057 -12.279 0.118 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.441 -9.401 -0.523 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.212 -10.066 -1.128 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.560 -7.966 -1.014 1.00 0.00 C ATOM 0 H VAL A 108 -6.471 -9.608 1.006 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.050 -9.865 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.322 -9.397 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.323 -9.489 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.114 -11.077 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.318 -10.109 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.648 -7.421 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.707 -7.962 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.410 -7.485 -0.530 1.00 0.00 H new ATOM 1669 N GLN A 109 -5.650 -12.285 -2.055 1.00 0.00 N ATOM 1670 CA GLN A 109 -5.454 -13.721 -2.208 1.00 0.00 C ATOM 1671 C GLN A 109 -4.993 -14.080 -3.617 1.00 0.00 C ATOM 1672 O GLN A 109 -5.621 -14.889 -4.300 1.00 0.00 O ATOM 1673 CB GLN A 109 -6.756 -14.453 -1.869 1.00 0.00 C ATOM 1674 CG GLN A 109 -7.981 -13.877 -2.564 1.00 0.00 C ATOM 1675 CD GLN A 109 -9.280 -14.393 -1.973 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -9.350 -15.525 -1.494 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.319 -13.562 -1.994 1.00 0.00 N ATOM 0 H GLN A 109 -5.951 -11.804 -2.903 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.668 -14.034 -1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.654 -15.503 -2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.911 -14.419 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.959 -12.790 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.944 -14.126 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.220 -12.632 -2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.215 -13.855 -1.604 1.00 0.00 H new ATOM 1686 N ASP A 110 -3.885 -13.479 -4.035 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.319 -13.728 -5.354 1.00 0.00 C ATOM 1688 C ASP A 110 -2.082 -12.867 -5.568 1.00 0.00 C ATOM 1689 O ASP A 110 -0.957 -13.299 -5.317 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.354 -13.443 -6.449 1.00 0.00 C ATOM 1691 CG ASP A 110 -3.904 -13.924 -7.814 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -4.146 -15.107 -8.136 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -3.312 -13.119 -8.562 1.00 0.00 O ATOM 0 H ASP A 110 -3.358 -12.810 -3.474 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.033 -14.778 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.295 -13.927 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.548 -12.371 -6.491 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.311 -11.645 -6.024 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.241 -10.692 -6.271 1.00 0.00 C ATOM 1700 C ARG A 111 -1.817 -9.384 -6.797 1.00 0.00 C ATOM 1701 O ARG A 111 -1.082 -8.448 -7.114 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.233 -11.263 -7.266 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.746 -11.321 -8.694 1.00 0.00 C ATOM 1704 CD ARG A 111 0.323 -11.827 -9.647 1.00 0.00 C ATOM 1705 NE ARG A 111 -0.128 -11.805 -11.035 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.612 -12.221 -12.058 1.00 0.00 C ATOM 1707 NH1 ARG A 111 1.833 -12.697 -11.847 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.132 -12.164 -13.291 1.00 0.00 N ATOM 0 H ARG A 111 -3.243 -11.287 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 111 -0.725 -10.498 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.673 -10.657 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.047 -12.268 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.618 -11.974 -8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.073 -10.329 -9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.218 -11.213 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.602 -12.844 -9.372 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.064 -11.450 -11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.205 -12.744 -10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.399 -13.016 -12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.807 -11.801 -13.457 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.701 -12.484 -14.075 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.143 -9.332 -6.888 1.00 0.00 N ATOM 1723 CA GLY A 112 -3.808 -8.141 -7.375 1.00 0.00 C ATOM 1724 C GLY A 112 -4.936 -7.696 -6.473 1.00 0.00 C ATOM 1725 O GLY A 112 -5.795 -6.912 -6.881 1.00 0.00 O ATOM 0 H GLY A 112 -3.768 -10.096 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.080 -7.334 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.200 -8.331 -8.374 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.934 -8.201 -5.243 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.951 -7.844 -4.259 1.00 0.00 C ATOM 1731 C VAL A 113 -7.329 -8.374 -4.657 1.00 0.00 C ATOM 1732 O VAL A 113 -7.703 -8.387 -5.829 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.993 -6.322 -4.043 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -6.647 -5.964 -2.723 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -4.580 -5.760 -4.097 1.00 0.00 C ATOM 0 H VAL A 113 -4.236 -8.862 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.676 -8.317 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.594 -5.882 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.659 -4.880 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.669 -6.342 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.084 -6.412 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.611 -4.681 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.975 -6.220 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.140 -5.976 -5.071 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.065 -8.806 -3.644 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.368 -9.386 -3.947 1.00 0.00 C ATOM 1747 C GLY A 114 -10.536 -8.956 -3.081 1.00 0.00 C ATOM 1748 O GLY A 114 -10.734 -9.516 -2.003 1.00 0.00 O ATOM 0 H GLY A 114 -7.805 -8.772 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.610 -9.149 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.279 -10.470 -3.880 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.315 -7.969 -3.523 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.493 -7.519 -2.779 1.00 0.00 C ATOM 1754 C TRP A 115 -13.318 -8.704 -2.284 1.00 0.00 C ATOM 1755 O TRP A 115 -13.288 -9.785 -2.873 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.371 -6.615 -3.652 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.092 -5.158 -3.465 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.486 -4.307 -4.346 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.410 -4.381 -2.312 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.410 -3.046 -3.801 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.971 -3.069 -2.555 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -14.025 -4.669 -1.097 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.128 -2.048 -1.626 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -14.181 -3.657 -0.175 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.734 -2.359 -0.442 1.00 0.00 C ATOM 0 H TRP A 115 -11.152 -7.464 -4.394 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.140 -6.954 -1.917 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.219 -6.875 -4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.419 -6.809 -3.424 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.121 -4.583 -5.324 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.002 -2.228 -4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.374 -5.668 -0.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.784 -1.045 -1.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.657 -3.870 0.771 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.871 -1.588 0.302 1.00 0.00 H new ATOM 1776 N SER A 116 -14.060 -8.489 -1.202 1.00 0.00 N ATOM 1777 CA SER A 116 -14.890 -9.539 -0.624 1.00 0.00 C ATOM 1778 C SER A 116 -16.376 -9.260 -0.851 1.00 0.00 C ATOM 1779 O SER A 116 -17.155 -10.178 -1.110 1.00 0.00 O ATOM 1780 CB SER A 116 -14.609 -9.669 0.875 1.00 0.00 C ATOM 1781 OG SER A 116 -13.241 -9.949 1.115 1.00 0.00 O ATOM 0 H SER A 116 -14.103 -7.597 -0.708 1.00 0.00 H new ATOM 0 HA SER A 116 -14.639 -10.476 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.889 -8.746 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.225 -10.463 1.296 1.00 0.00 H new ATOM 0 HG SER A 116 -13.087 -10.026 2.080 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.762 -7.989 -0.752 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.158 -7.592 -0.943 1.00 0.00 C ATOM 1789 C HIS A 117 -18.252 -6.145 -1.426 1.00 0.00 C ATOM 1790 O HIS A 117 -17.600 -5.258 -0.875 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.943 -7.760 0.360 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.423 -7.608 0.194 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.204 -6.502 0.185 1.00 0.00 N flip ATOM 1794 CD2 HIS A 117 -21.276 -8.677 0.016 1.00 0.00 C flip ATOM 1795 CE1 HIS A 117 -22.498 -6.919 0.003 1.00 0.00 C flip ATOM 1796 NE2 HIS A 117 -22.516 -8.235 -0.097 1.00 0.00 N flip ATOM 0 H HIS A 117 -16.130 -7.217 -0.541 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.592 -8.239 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.732 -8.745 0.777 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.590 -7.026 1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -20.889 -5.538 0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.977 -9.714 -0.025 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.363 -6.274 -0.050 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.065 -5.890 -2.469 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.240 -4.559 -3.036 1.00 0.00 C ATOM 1807 C PRO A 118 -20.457 -3.811 -2.475 1.00 0.00 C ATOM 1808 O PRO A 118 -20.817 -3.967 -1.308 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.452 -4.884 -4.509 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.194 -6.185 -4.506 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.864 -6.884 -3.204 1.00 0.00 C ATOM 0 HA PRO A 118 -18.401 -3.899 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.024 -4.103 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.502 -4.971 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.267 -6.016 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.899 -6.798 -5.358 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.766 -7.158 -2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.303 -7.803 -3.374 1.00 0.00 H new ATOM 1819 N LEU A 119 -21.069 -2.989 -3.328 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.243 -2.198 -2.976 1.00 0.00 C ATOM 1821 C LEU A 119 -23.326 -3.046 -2.301 1.00 0.00 C ATOM 1822 O LEU A 119 -23.724 -4.087 -2.825 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.799 -1.563 -4.250 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.764 -0.902 -5.166 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.653 -0.273 -4.349 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -21.203 -1.906 -6.162 1.00 0.00 C ATOM 0 H LEU A 119 -20.759 -2.854 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.943 -1.432 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.323 -2.331 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.539 -0.814 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.262 -0.112 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.928 0.191 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -21.072 0.484 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.159 -1.041 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.470 -1.414 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.724 -2.724 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -22.013 -2.301 -6.776 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.815 -2.606 -1.123 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.861 -3.316 -0.373 1.00 0.00 C ATOM 1840 C PRO A 120 -26.231 -3.199 -1.044 1.00 0.00 C ATOM 1841 O PRO A 120 -26.361 -3.446 -2.243 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.869 -2.620 0.998 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.662 -1.740 1.014 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.382 -1.396 -0.418 1.00 0.00 C ATOM 0 HA PRO A 120 -24.661 -4.386 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.780 -2.037 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.832 -3.349 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -23.843 -0.841 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.812 -2.252 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.939 -0.516 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.326 -1.184 -0.586 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.253 -2.818 -0.272 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.603 -2.677 -0.809 1.00 0.00 C ATOM 1854 C GLN A 121 -29.277 -1.407 -0.293 1.00 0.00 C ATOM 1855 O GLN A 121 -29.492 -1.252 0.909 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.457 -3.890 -0.436 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.666 -4.078 -1.338 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.497 -5.288 -0.961 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.261 -6.395 -1.445 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -32.481 -5.083 -0.092 1.00 0.00 N ATOM 0 H GLN A 121 -27.169 -2.603 0.722 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.518 -2.611 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.839 -4.787 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.795 -3.784 0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.290 -3.186 -1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.331 -4.180 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -32.642 -4.149 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -33.075 -5.860 0.198 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.606 -0.505 -1.211 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.274 0.737 -0.839 1.00 0.00 C ATOM 1871 C CYS A 122 -31.764 0.644 -1.156 1.00 0.00 C ATOM 1872 O CYS A 122 -32.163 0.672 -2.321 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.653 1.932 -1.566 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.043 2.472 -0.895 1.00 0.00 S ATOM 0 H CYS A 122 -29.423 -0.608 -2.209 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.145 0.888 0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.527 1.676 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.350 2.769 -1.523 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.583 0.532 -0.114 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.028 0.418 -0.284 1.00 0.00 C ATOM 1881 C GLU A 123 -34.748 1.481 0.538 1.00 0.00 C ATOM 1882 O GLU A 123 -34.308 1.853 1.625 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.497 -0.978 0.133 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.999 -1.184 0.007 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.421 -2.607 0.318 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.609 -2.923 1.512 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.562 -3.405 -0.631 1.00 0.00 O ATOM 0 H GLU A 123 -32.271 0.518 0.857 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.268 0.573 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.985 -1.721 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.201 -1.157 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.514 -0.501 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.313 -0.929 -1.005 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.860 1.966 -0.007 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.646 3.001 0.651 1.00 0.00 C ATOM 1896 C ILE A 124 -37.289 2.476 1.931 1.00 0.00 C ATOM 1897 O ILE A 124 -37.724 1.326 1.995 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.743 3.550 -0.285 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.534 4.663 0.411 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.667 2.428 -0.732 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.535 5.354 -0.491 1.00 0.00 C ATOM 0 H ILE A 124 -36.236 1.657 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.960 3.809 0.905 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.267 3.974 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.060 4.242 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.836 5.404 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.436 2.831 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.090 1.672 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.138 1.975 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -40.056 6.129 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -39.013 5.806 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.257 4.625 -0.859 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.341 3.330 2.947 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.925 2.967 4.233 1.00 0.00 C ATOM 1915 C LEU A 125 -39.389 2.559 4.081 1.00 0.00 C ATOM 1916 O LEU A 125 -39.778 1.457 4.469 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.810 4.139 5.208 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.381 4.535 5.591 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.382 5.857 6.343 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.728 3.445 6.428 1.00 0.00 C ATOM 0 H LEU A 125 -36.983 4.284 2.904 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.374 2.112 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.304 5.006 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.356 3.888 6.118 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.800 4.657 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.359 6.125 6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.809 6.635 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.979 5.759 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.714 3.746 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.307 3.290 7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.695 2.518 5.856 1.00 0.00 H new