USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 898 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 61 SER OG : rot 176:sc= 0.145 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.64 X(o=-1.5,f=-1.2) USER MOD Set 2.1: A 10 TYR OH : rot -121:sc= 1.61 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.1: A 41 MET CE :methyl 161:sc= -1.26 (180deg=-1.36) USER MOD Set 3.2: A 44 ASN : amide:sc= -0.0917 X(o=-1.3,f=-1.8) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.062 X(o=0.42,f=0.61) USER MOD Set 4.2: A 47 MET CE :methyl -166:sc= 0 (180deg=-0.135) USER MOD Set 4.3: A 49 SER OG : rot 140:sc= 0.487 USER MOD Set 5.1: A 3 HIS : no HE2:sc= 0.308 K(o=1.5,f=-4.9!) USER MOD Set 5.2: A 4 MET CE :methyl 139:sc= -0.0175 (180deg=-0.835) USER MOD Set 5.3: A 28 SER OG : rot -35:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 19 HIS : no HD1:sc= -1.96 X(o=-2,f=-1.7) USER MOD Single : A 23 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 36 ASN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= 0.63 (180deg=0.371) USER MOD Single : A 45 THR OG1 : rot 1:sc= 0.164 USER MOD Single : A 50 ASN : amide:sc= -0.0254 K(o=-0.025,f=-0.7) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 68:sc= 0.607 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 66 SER OG : rot 43:sc= 0.317 USER MOD Single : A 68 SER OG : rot 162:sc= 0.355 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.71) USER MOD Single : A 83 GLN : amide:sc= 1.23 K(o=1.2,f=-0.16) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.00341 USER MOD Single : A 89 THR OG1 : rot -114:sc= 0.931 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= -0.028 (180deg=-0.151) USER MOD Single : A 98 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.04) USER MOD Single : A 102 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-1.6) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.772) USER MOD Single : A 108 GLN : amide:sc=-0.00378 X(o=-0.0038,f=0) USER MOD Single : A 109 MET CE :methyl -154:sc= -1.52 (180deg=-2.6) USER MOD Single : A 113 ASN : amide:sc= -0.161 K(o=-0.16,f=-3.4!) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -13.262 -5.481 7.076 1.00 0.00 N ATOM 20 CA HIS A 3 -12.571 -4.852 5.949 1.00 0.00 C ATOM 21 C HIS A 3 -12.222 -5.857 4.857 1.00 0.00 C ATOM 22 O HIS A 3 -12.236 -5.503 3.679 1.00 0.00 O ATOM 23 CB HIS A 3 -11.292 -4.154 6.424 1.00 0.00 C ATOM 24 CG HIS A 3 -10.190 -5.099 6.856 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.184 -5.885 7.983 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.068 -5.416 6.139 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.116 -6.693 7.915 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.388 -6.434 6.813 1.00 0.00 N ATOM 0 HA HIS A 3 -13.257 -4.117 5.527 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.917 -3.521 5.620 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.539 -3.497 7.258 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.870 -5.859 8.737 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.761 -4.958 5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.873 -7.450 8.646 1.00 0.00 H new ATOM 36 N MET A 4 -11.909 -7.107 5.216 1.00 0.00 N ATOM 37 CA MET A 4 -11.540 -8.115 4.229 1.00 0.00 C ATOM 38 C MET A 4 -12.663 -8.399 3.237 1.00 0.00 C ATOM 39 O MET A 4 -12.350 -8.888 2.160 1.00 0.00 O ATOM 40 CB MET A 4 -11.156 -9.431 4.901 1.00 0.00 C ATOM 41 CG MET A 4 -9.769 -9.485 5.523 1.00 0.00 C ATOM 42 SD MET A 4 -8.405 -10.046 4.449 1.00 0.00 S ATOM 43 CE MET A 4 -7.892 -8.510 3.637 1.00 0.00 C ATOM 0 H MET A 4 -11.905 -7.439 6.180 1.00 0.00 H new ATOM 0 HA MET A 4 -10.687 -7.702 3.690 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.889 -9.646 5.678 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.232 -10.229 4.162 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.523 -8.489 5.891 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.811 -10.144 6.390 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.804 -8.474 3.581 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.309 -8.474 2.631 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.254 -7.657 4.211 1.00 0.00 H new ATOM 53 N GLU A 5 -13.930 -8.103 3.550 1.00 0.00 N ATOM 54 CA GLU A 5 -15.003 -8.248 2.558 1.00 0.00 C ATOM 55 C GLU A 5 -14.807 -7.272 1.409 1.00 0.00 C ATOM 56 O GLU A 5 -15.118 -7.588 0.262 1.00 0.00 O ATOM 57 CB GLU A 5 -16.408 -7.984 3.121 1.00 0.00 C ATOM 58 CG GLU A 5 -16.713 -8.692 4.433 1.00 0.00 C ATOM 59 CD GLU A 5 -18.227 -8.758 4.676 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.899 -9.582 4.014 1.00 0.00 O ATOM 61 OE2 GLU A 5 -18.765 -7.956 5.480 1.00 0.00 O ATOM 0 H GLU A 5 -14.234 -7.768 4.464 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.941 -9.286 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.530 -6.911 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.145 -8.291 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.299 -9.700 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.230 -8.166 5.256 1.00 0.00 H new ATOM 68 N VAL A 6 -14.355 -6.053 1.713 1.00 0.00 N ATOM 69 CA VAL A 6 -14.117 -5.059 0.682 1.00 0.00 C ATOM 70 C VAL A 6 -12.910 -5.516 -0.143 1.00 0.00 C ATOM 71 O VAL A 6 -12.905 -5.441 -1.371 1.00 0.00 O ATOM 72 CB VAL A 6 -13.913 -3.664 1.315 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.565 -2.586 0.280 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.178 -3.214 2.051 1.00 0.00 C ATOM 0 H VAL A 6 -14.150 -5.739 2.661 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.978 -4.967 0.020 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.076 -3.771 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.433 -1.628 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.641 -2.857 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.373 -2.506 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.013 -2.230 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.009 -3.164 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.413 -3.928 2.840 1.00 0.00 H new ATOM 84 N PHE A 7 -11.893 -6.042 0.535 1.00 0.00 N ATOM 85 CA PHE A 7 -10.633 -6.487 -0.033 1.00 0.00 C ATOM 86 C PHE A 7 -10.646 -8.001 -0.293 1.00 0.00 C ATOM 87 O PHE A 7 -9.637 -8.678 -0.108 1.00 0.00 O ATOM 88 CB PHE A 7 -9.488 -6.027 0.866 1.00 0.00 C ATOM 89 CG PHE A 7 -9.439 -4.541 1.178 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.812 -3.556 0.239 1.00 0.00 C ATOM 91 CD2 PHE A 7 -8.971 -4.147 2.443 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.721 -2.195 0.576 1.00 0.00 C ATOM 93 CE2 PHE A 7 -8.876 -2.787 2.777 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.236 -1.808 1.837 1.00 0.00 C ATOM 0 H PHE A 7 -11.932 -6.174 1.546 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.481 -6.031 -1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.550 -6.573 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.547 -6.310 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.167 -3.848 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.682 -4.897 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -10.025 -1.443 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.526 -2.494 3.756 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.140 -0.761 2.082 1.00 0.00 H new ATOM 104 N ALA A 8 -11.794 -8.533 -0.714 1.00 0.00 N ATOM 105 CA ALA A 8 -11.997 -9.921 -1.090 1.00 0.00 C ATOM 106 C ALA A 8 -11.975 -10.104 -2.607 1.00 0.00 C ATOM 107 O ALA A 8 -11.251 -10.940 -3.153 1.00 0.00 O ATOM 108 CB ALA A 8 -13.372 -10.335 -0.583 1.00 0.00 C ATOM 0 H ALA A 8 -12.644 -7.976 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.197 -10.524 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.559 -11.375 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.409 -10.225 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.133 -9.702 -1.038 1.00 0.00 H new ATOM 114 N GLU A 9 -12.842 -9.371 -3.301 1.00 0.00 N ATOM 115 CA GLU A 9 -13.207 -9.682 -4.675 1.00 0.00 C ATOM 116 C GLU A 9 -12.155 -9.350 -5.732 1.00 0.00 C ATOM 117 O GLU A 9 -12.194 -9.813 -6.871 1.00 0.00 O ATOM 118 CB GLU A 9 -14.586 -9.178 -4.984 1.00 0.00 C ATOM 119 CG GLU A 9 -14.604 -7.697 -5.157 1.00 0.00 C ATOM 120 CD GLU A 9 -15.931 -7.264 -5.801 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.105 -7.507 -7.023 1.00 0.00 O ATOM 122 OE2 GLU A 9 -16.853 -6.795 -5.094 1.00 0.00 O ATOM 0 H GLU A 9 -13.309 -8.546 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.236 -10.770 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.953 -9.655 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.265 -9.459 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.481 -7.207 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.767 -7.384 -5.781 1.00 0.00 H new ATOM 129 N TYR A 10 -11.203 -8.544 -5.323 1.00 0.00 N ATOM 130 CA TYR A 10 -9.929 -8.325 -5.990 1.00 0.00 C ATOM 131 C TYR A 10 -9.005 -9.535 -5.798 1.00 0.00 C ATOM 132 O TYR A 10 -8.427 -10.013 -6.771 1.00 0.00 O ATOM 133 CB TYR A 10 -9.292 -7.047 -5.439 1.00 0.00 C ATOM 134 CG TYR A 10 -8.024 -6.583 -6.125 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.097 -5.979 -7.391 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.781 -6.710 -5.477 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.929 -5.507 -8.012 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.608 -6.251 -6.098 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.681 -5.650 -7.374 1.00 0.00 C ATOM 140 OH TYR A 10 -4.561 -5.180 -7.984 1.00 0.00 O ATOM 0 H TYR A 10 -11.296 -7.991 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.091 -8.207 -7.061 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.027 -6.244 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.073 -7.201 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.051 -5.878 -7.887 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.729 -7.162 -4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.988 -5.033 -8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.654 -6.357 -5.602 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.929 -5.916 -8.120 1.00 0.00 H new ATOM 150 N LEU A 11 -8.871 -10.048 -4.567 1.00 0.00 N ATOM 151 CA LEU A 11 -7.948 -11.134 -4.229 1.00 0.00 C ATOM 152 C LEU A 11 -8.297 -12.396 -5.008 1.00 0.00 C ATOM 153 O LEU A 11 -7.425 -13.015 -5.615 1.00 0.00 O ATOM 154 CB LEU A 11 -7.927 -11.438 -2.716 1.00 0.00 C ATOM 155 CG LEU A 11 -6.987 -10.564 -1.869 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.512 -10.855 -2.165 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.212 -9.068 -2.068 1.00 0.00 C ATOM 0 H LEU A 11 -9.410 -9.713 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.950 -10.799 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.940 -11.329 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.644 -12.482 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.227 -10.826 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.883 -10.216 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.296 -11.900 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.306 -10.656 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.517 -8.509 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.045 -8.811 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.235 -8.814 -1.791 1.00 0.00 H new ATOM 169 N LYS A 12 -9.583 -12.744 -5.058 1.00 0.00 N ATOM 170 CA LYS A 12 -10.081 -13.887 -5.829 1.00 0.00 C ATOM 171 C LYS A 12 -9.767 -13.788 -7.327 1.00 0.00 C ATOM 172 O LYS A 12 -9.944 -14.758 -8.062 1.00 0.00 O ATOM 173 CB LYS A 12 -11.588 -14.023 -5.570 1.00 0.00 C ATOM 174 CG LYS A 12 -12.462 -13.226 -6.543 1.00 0.00 C ATOM 175 CD LYS A 12 -13.935 -13.255 -6.138 1.00 0.00 C ATOM 176 CE LYS A 12 -14.671 -12.124 -6.850 1.00 0.00 C ATOM 177 NZ LYS A 12 -14.840 -12.333 -8.298 1.00 0.00 N ATOM 0 H LYS A 12 -10.316 -12.237 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.562 -14.785 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.863 -15.076 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.802 -13.695 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.116 -12.193 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.353 -13.635 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.378 -14.216 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.030 -13.144 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.654 -12.001 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.127 -11.193 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.348 -11.524 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.906 -12.420 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.386 -13.203 -8.462 1.00 0.00 H new ATOM 191 N GLY A 13 -9.397 -12.601 -7.793 1.00 0.00 N ATOM 192 CA GLY A 13 -9.063 -12.281 -9.172 1.00 0.00 C ATOM 193 C GLY A 13 -7.560 -12.145 -9.438 1.00 0.00 C ATOM 194 O GLY A 13 -7.203 -11.868 -10.585 1.00 0.00 O ATOM 0 H GLY A 13 -9.318 -11.789 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.467 -13.057 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.555 -11.348 -9.446 1.00 0.00 H new ATOM 198 N ILE A 14 -6.684 -12.322 -8.437 1.00 0.00 N ATOM 199 CA ILE A 14 -5.229 -12.251 -8.590 1.00 0.00 C ATOM 200 C ILE A 14 -4.795 -13.385 -9.524 1.00 0.00 C ATOM 201 O ILE A 14 -5.205 -14.538 -9.351 1.00 0.00 O ATOM 202 CB ILE A 14 -4.530 -12.366 -7.214 1.00 0.00 C ATOM 203 CG1 ILE A 14 -4.933 -11.244 -6.229 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.003 -12.512 -7.331 1.00 0.00 C ATOM 205 CD1 ILE A 14 -3.861 -10.252 -5.781 1.00 0.00 C ATOM 0 H ILE A 14 -6.977 -12.522 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.941 -11.290 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.900 -13.296 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.742 -10.675 -6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.342 -11.717 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.567 -12.588 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.766 -13.411 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.592 -11.641 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.299 -9.529 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.056 -10.788 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.462 -9.730 -6.651 1.00 0.00 H new ATOM 217 N ASP A 15 -3.911 -13.063 -10.464 1.00 0.00 N ATOM 218 CA ASP A 15 -3.417 -13.950 -11.513 1.00 0.00 C ATOM 219 C ASP A 15 -2.653 -15.144 -10.949 1.00 0.00 C ATOM 220 O ASP A 15 -2.760 -16.238 -11.503 1.00 0.00 O ATOM 221 CB ASP A 15 -2.523 -13.180 -12.487 1.00 0.00 C ATOM 222 CG ASP A 15 -3.229 -12.823 -13.787 1.00 0.00 C ATOM 223 OD1 ASP A 15 -3.567 -13.713 -14.601 1.00 0.00 O ATOM 224 OD2 ASP A 15 -3.489 -11.622 -14.020 1.00 0.00 O ATOM 0 H ASP A 15 -3.500 -12.131 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.290 -14.334 -12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.174 -12.266 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.640 -13.778 -12.712 1.00 0.00 H new ATOM 229 N HIS A 16 -1.911 -14.972 -9.848 1.00 0.00 N ATOM 230 CA HIS A 16 -1.100 -16.037 -9.277 1.00 0.00 C ATOM 231 C HIS A 16 -1.108 -16.062 -7.750 1.00 0.00 C ATOM 232 O HIS A 16 -0.979 -15.012 -7.114 1.00 0.00 O ATOM 233 CB HIS A 16 0.322 -15.897 -9.814 1.00 0.00 C ATOM 234 CG HIS A 16 0.767 -16.963 -10.778 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.513 -18.084 -10.476 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.588 -16.940 -12.135 1.00 0.00 C ATOM 237 CE1 HIS A 16 1.783 -18.716 -11.625 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.245 -18.055 -12.668 1.00 0.00 N ATOM 0 H HIS A 16 -1.861 -14.092 -9.335 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.536 -16.990 -9.579 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.410 -14.929 -10.307 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.010 -15.888 -8.969 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.039 -16.196 -12.693 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.353 -19.630 -11.705 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.305 -18.316 -13.652 1.00 0.00 H new ATOM 246 N PRO A 17 -1.081 -17.265 -7.148 1.00 0.00 N ATOM 247 CA PRO A 17 -0.923 -17.424 -5.713 1.00 0.00 C ATOM 248 C PRO A 17 0.469 -17.015 -5.250 1.00 0.00 C ATOM 249 O PRO A 17 0.639 -16.680 -4.079 1.00 0.00 O ATOM 250 CB PRO A 17 -1.172 -18.901 -5.433 1.00 0.00 C ATOM 251 CG PRO A 17 -0.827 -19.603 -6.737 1.00 0.00 C ATOM 252 CD PRO A 17 -1.185 -18.569 -7.792 1.00 0.00 C ATOM 0 HA PRO A 17 -1.619 -16.783 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.549 -19.259 -4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.209 -19.081 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.228 -19.875 -6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.399 -20.522 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.509 -18.635 -8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.193 -18.735 -8.171 1.00 0.00 H new ATOM 260 N ASP A 18 1.453 -16.976 -6.159 1.00 0.00 N ATOM 261 CA ASP A 18 2.799 -16.515 -5.825 1.00 0.00 C ATOM 262 C ASP A 18 2.749 -15.062 -5.354 1.00 0.00 C ATOM 263 O ASP A 18 3.647 -14.632 -4.637 1.00 0.00 O ATOM 264 CB ASP A 18 3.756 -16.654 -7.022 1.00 0.00 C ATOM 265 CG ASP A 18 4.569 -17.944 -6.984 1.00 0.00 C ATOM 266 OD1 ASP A 18 5.556 -18.024 -6.213 1.00 0.00 O ATOM 267 OD2 ASP A 18 4.257 -18.870 -7.762 1.00 0.00 O ATOM 0 H ASP A 18 1.337 -17.260 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 18 3.181 -17.143 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.180 -16.620 -7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.436 -15.802 -7.038 1.00 0.00 H new ATOM 272 N HIS A 19 1.703 -14.297 -5.699 1.00 0.00 N ATOM 273 CA HIS A 19 1.674 -12.867 -5.354 1.00 0.00 C ATOM 274 C HIS A 19 0.538 -12.532 -4.387 1.00 0.00 C ATOM 275 O HIS A 19 0.539 -11.473 -3.763 1.00 0.00 O ATOM 276 CB HIS A 19 1.579 -12.045 -6.642 1.00 0.00 C ATOM 277 CG HIS A 19 2.407 -12.623 -7.765 1.00 0.00 C ATOM 278 ND1 HIS A 19 1.875 -13.279 -8.844 1.00 0.00 N ATOM 279 CD2 HIS A 19 3.737 -12.944 -7.708 1.00 0.00 C ATOM 280 CE1 HIS A 19 2.845 -14.038 -9.375 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.012 -13.838 -8.748 1.00 0.00 N ATOM 0 H HIS A 19 0.884 -14.633 -6.205 1.00 0.00 H new ATOM 0 HA HIS A 19 2.597 -12.613 -4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.537 -11.989 -6.956 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.907 -11.025 -6.442 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.449 -12.572 -6.986 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.704 -14.721 -10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.915 -14.252 -8.981 1.00 0.00 H new ATOM 289 N ARG A 20 -0.438 -13.429 -4.260 1.00 0.00 N ATOM 290 CA ARG A 20 -1.679 -13.173 -3.549 1.00 0.00 C ATOM 291 C ARG A 20 -1.437 -12.998 -2.058 1.00 0.00 C ATOM 292 O ARG A 20 -1.748 -11.947 -1.516 1.00 0.00 O ATOM 293 CB ARG A 20 -2.629 -14.326 -3.851 1.00 0.00 C ATOM 294 CG ARG A 20 -4.021 -14.009 -3.316 1.00 0.00 C ATOM 295 CD ARG A 20 -4.958 -15.159 -3.645 1.00 0.00 C ATOM 296 NE ARG A 20 -5.201 -15.252 -5.093 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.187 -15.919 -5.703 1.00 0.00 C ATOM 298 NH1 ARG A 20 -7.124 -16.533 -4.997 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.230 -15.998 -7.030 1.00 0.00 N ATOM 0 H ARG A 20 -0.383 -14.367 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.125 -12.237 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.674 -14.498 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.256 -15.244 -3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.982 -13.853 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.392 -13.084 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.530 -16.094 -3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.905 -15.020 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.547 -14.754 -5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.098 -16.500 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.871 -17.039 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.507 -15.548 -7.591 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.986 -16.509 -7.486 1.00 0.00 H new ATOM 313 N ASP A 21 -0.841 -14.003 -1.435 1.00 0.00 N ATOM 314 CA ASP A 21 -0.558 -14.097 -0.008 1.00 0.00 C ATOM 315 C ASP A 21 0.009 -12.790 0.554 1.00 0.00 C ATOM 316 O ASP A 21 -0.616 -12.156 1.396 1.00 0.00 O ATOM 317 CB ASP A 21 0.439 -15.243 0.181 1.00 0.00 C ATOM 318 CG ASP A 21 -0.162 -16.632 0.399 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.408 -16.788 0.404 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.634 -17.591 0.461 1.00 0.00 O ATOM 0 H ASP A 21 -0.521 -14.828 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.482 -14.286 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.085 -15.283 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.074 -15.007 1.035 1.00 0.00 H new ATOM 325 N ARG A 22 1.170 -12.336 0.056 1.00 0.00 N ATOM 326 CA ARG A 22 1.791 -11.112 0.563 1.00 0.00 C ATOM 327 C ARG A 22 0.890 -9.885 0.391 1.00 0.00 C ATOM 328 O ARG A 22 0.858 -9.042 1.289 1.00 0.00 O ATOM 329 CB ARG A 22 3.183 -10.899 -0.056 1.00 0.00 C ATOM 330 CG ARG A 22 3.231 -10.955 -1.596 1.00 0.00 C ATOM 331 CD ARG A 22 3.762 -12.284 -2.156 1.00 0.00 C ATOM 332 NE ARG A 22 5.192 -12.373 -1.892 1.00 0.00 N ATOM 333 CZ ARG A 22 5.999 -13.435 -2.055 1.00 0.00 C ATOM 334 NH1 ARG A 22 5.567 -14.513 -2.694 1.00 0.00 N ATOM 335 NH2 ARG A 22 7.242 -13.434 -1.588 1.00 0.00 N ATOM 0 H ARG A 22 1.690 -12.797 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 22 1.925 -11.240 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.563 -9.930 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.859 -11.656 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.228 -10.782 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.860 -10.142 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.241 -13.122 -1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.573 -12.343 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 22 5.635 -11.524 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.617 -14.539 -3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.184 -15.316 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.601 -12.617 -1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.838 -14.251 -1.723 1.00 0.00 H new ATOM 349 N THR A 23 0.172 -9.796 -0.733 1.00 0.00 N ATOM 350 CA THR A 23 -0.835 -8.755 -0.970 1.00 0.00 C ATOM 351 C THR A 23 -1.860 -8.691 0.184 1.00 0.00 C ATOM 352 O THR A 23 -2.119 -7.599 0.703 1.00 0.00 O ATOM 353 CB THR A 23 -1.529 -8.935 -2.339 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.591 -9.050 -3.389 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.445 -7.763 -2.709 1.00 0.00 C ATOM 0 H THR A 23 0.274 -10.449 -1.510 1.00 0.00 H new ATOM 0 HA THR A 23 -0.315 -7.798 -0.998 1.00 0.00 H new ATOM 0 HB THR A 23 -2.116 -9.846 -2.226 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.323 -9.988 -3.487 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.902 -7.951 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.225 -7.659 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.860 -6.844 -2.755 1.00 0.00 H new ATOM 363 N GLU A 24 -2.443 -9.832 0.578 1.00 0.00 N ATOM 364 CA GLU A 24 -3.397 -9.941 1.685 1.00 0.00 C ATOM 365 C GLU A 24 -2.802 -9.391 2.981 1.00 0.00 C ATOM 366 O GLU A 24 -3.448 -8.620 3.692 1.00 0.00 O ATOM 367 CB GLU A 24 -3.814 -11.401 1.933 1.00 0.00 C ATOM 368 CG GLU A 24 -4.541 -12.073 0.765 1.00 0.00 C ATOM 369 CD GLU A 24 -4.869 -13.551 1.011 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.013 -13.965 2.182 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.009 -14.306 0.020 1.00 0.00 O ATOM 0 H GLU A 24 -2.258 -10.726 0.123 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.271 -9.356 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.923 -11.982 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.459 -11.435 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.467 -11.533 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.925 -11.991 -0.130 1.00 0.00 H new ATOM 378 N GLU A 25 -1.562 -9.781 3.275 1.00 0.00 N ATOM 379 CA GLU A 25 -0.915 -9.468 4.542 1.00 0.00 C ATOM 380 C GLU A 25 -0.748 -7.978 4.729 1.00 0.00 C ATOM 381 O GLU A 25 -0.938 -7.483 5.836 1.00 0.00 O ATOM 382 CB GLU A 25 0.437 -10.159 4.634 1.00 0.00 C ATOM 383 CG GLU A 25 0.159 -11.621 4.922 1.00 0.00 C ATOM 384 CD GLU A 25 -0.469 -11.847 6.299 1.00 0.00 C ATOM 385 OE1 GLU A 25 0.192 -11.537 7.320 1.00 0.00 O ATOM 386 OE2 GLU A 25 -1.666 -12.205 6.391 1.00 0.00 O ATOM 0 H GLU A 25 -0.979 -10.324 2.638 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.561 -9.837 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.993 -10.047 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.045 -9.717 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.507 -12.017 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.091 -12.183 4.856 1.00 0.00 H new ATOM 393 N ILE A 26 -0.391 -7.282 3.655 1.00 0.00 N ATOM 394 CA ILE A 26 -0.346 -5.813 3.640 1.00 0.00 C ATOM 395 C ILE A 26 -1.718 -5.258 4.020 1.00 0.00 C ATOM 396 O ILE A 26 -1.800 -4.371 4.872 1.00 0.00 O ATOM 397 CB ILE A 26 0.108 -5.280 2.263 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.631 -5.479 2.058 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.273 -3.789 2.017 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.939 -5.805 0.597 1.00 0.00 C ATOM 0 H ILE A 26 -0.124 -7.713 2.770 1.00 0.00 H new ATOM 0 HA ILE A 26 0.388 -5.476 4.372 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.436 -5.872 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.164 -4.576 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.987 -6.285 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.077 -3.482 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.356 -3.677 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.193 -3.164 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.013 -5.941 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.422 -6.721 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.602 -4.985 -0.038 1.00 0.00 H new ATOM 412 N LEU A 27 -2.785 -5.731 3.363 1.00 0.00 N ATOM 413 CA LEU A 27 -4.128 -5.177 3.538 1.00 0.00 C ATOM 414 C LEU A 27 -4.547 -5.264 5.007 1.00 0.00 C ATOM 415 O LEU A 27 -4.869 -4.238 5.612 1.00 0.00 O ATOM 416 CB LEU A 27 -5.140 -5.882 2.618 1.00 0.00 C ATOM 417 CG LEU A 27 -4.935 -5.574 1.123 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.451 -6.716 0.248 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.680 -4.292 0.730 1.00 0.00 C ATOM 0 H LEU A 27 -2.739 -6.504 2.699 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.112 -4.125 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.069 -6.959 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.148 -5.585 2.906 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.864 -5.449 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.293 -6.470 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.913 -7.632 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.516 -6.861 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.523 -4.091 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.746 -4.417 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.301 -3.456 1.318 1.00 0.00 H new ATOM 431 N SER A 28 -4.509 -6.464 5.590 1.00 0.00 N ATOM 432 CA SER A 28 -4.872 -6.664 6.977 1.00 0.00 C ATOM 433 C SER A 28 -3.835 -6.103 7.964 1.00 0.00 C ATOM 434 O SER A 28 -4.218 -5.799 9.097 1.00 0.00 O ATOM 435 CB SER A 28 -5.111 -8.155 7.187 1.00 0.00 C ATOM 436 OG SER A 28 -6.348 -8.527 6.603 1.00 0.00 O ATOM 0 H SER A 28 -4.225 -7.317 5.107 1.00 0.00 H new ATOM 0 HA SER A 28 -5.782 -6.102 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.300 -8.730 6.741 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.117 -8.386 8.252 1.00 0.00 H new ATOM 0 HG SER A 28 -6.991 -7.794 6.703 1.00 0.00 H new ATOM 442 N TRP A 29 -2.572 -5.897 7.571 1.00 0.00 N ATOM 443 CA TRP A 29 -1.594 -5.188 8.395 1.00 0.00 C ATOM 444 C TRP A 29 -1.956 -3.708 8.497 1.00 0.00 C ATOM 445 O TRP A 29 -1.931 -3.176 9.608 1.00 0.00 O ATOM 446 CB TRP A 29 -0.175 -5.354 7.844 1.00 0.00 C ATOM 447 CG TRP A 29 0.877 -4.496 8.474 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.508 -4.731 9.644 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.455 -3.260 7.966 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.447 -3.746 9.880 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.452 -2.801 8.876 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.229 -2.484 6.814 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.205 -1.640 8.638 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.996 -1.333 6.552 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.992 -0.918 7.452 1.00 0.00 C ATOM 0 H TRP A 29 -2.203 -6.217 6.675 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.618 -5.626 9.393 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.118 -6.397 7.959 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.195 -5.144 6.775 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.308 -5.566 10.299 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.060 -3.721 10.695 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.455 -2.776 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.938 -1.306 9.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.817 -0.764 5.652 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.592 -0.047 7.233 1.00 0.00 H new ATOM 466 N VAL A 30 -2.330 -3.043 7.395 1.00 0.00 N ATOM 467 CA VAL A 30 -2.810 -1.665 7.468 1.00 0.00 C ATOM 468 C VAL A 30 -4.047 -1.627 8.364 1.00 0.00 C ATOM 469 O VAL A 30 -4.098 -0.792 9.259 1.00 0.00 O ATOM 470 CB VAL A 30 -3.072 -1.068 6.072 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.816 0.277 6.154 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.767 -0.873 5.283 1.00 0.00 C ATOM 0 H VAL A 30 -2.308 -3.436 6.454 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.037 -1.035 7.907 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.701 -1.788 5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.981 0.664 5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.776 0.132 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.218 0.989 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.993 -0.450 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.110 -0.195 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.271 -1.835 5.157 1.00 0.00 H new ATOM 482 N ALA A 31 -4.994 -2.559 8.188 1.00 0.00 N ATOM 483 CA ALA A 31 -6.210 -2.598 9.000 1.00 0.00 C ATOM 484 C ALA A 31 -5.910 -2.663 10.504 1.00 0.00 C ATOM 485 O ALA A 31 -6.678 -2.131 11.307 1.00 0.00 O ATOM 486 CB ALA A 31 -7.071 -3.798 8.587 1.00 0.00 C ATOM 0 H ALA A 31 -4.937 -3.297 7.486 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.751 -1.669 8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.976 -3.823 9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.343 -3.706 7.535 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.508 -4.719 8.737 1.00 0.00 H new ATOM 492 N ALA A 32 -4.804 -3.304 10.895 1.00 0.00 N ATOM 493 CA ALA A 32 -4.390 -3.334 12.283 1.00 0.00 C ATOM 494 C ALA A 32 -3.723 -2.017 12.665 1.00 0.00 C ATOM 495 O ALA A 32 -4.182 -1.321 13.568 1.00 0.00 O ATOM 496 CB ALA A 32 -3.463 -4.518 12.528 1.00 0.00 C ATOM 0 H ALA A 32 -4.184 -3.808 10.260 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.269 -3.458 12.915 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.158 -4.531 13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.986 -5.445 12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.581 -4.427 11.894 1.00 0.00 H new ATOM 502 N THR A 33 -2.620 -1.713 11.992 1.00 0.00 N ATOM 503 CA THR A 33 -1.624 -0.731 12.397 1.00 0.00 C ATOM 504 C THR A 33 -2.117 0.694 12.183 1.00 0.00 C ATOM 505 O THR A 33 -1.814 1.570 12.993 1.00 0.00 O ATOM 506 CB THR A 33 -0.355 -0.966 11.568 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.108 -2.350 11.376 1.00 0.00 O ATOM 508 CG2 THR A 33 0.903 -0.397 12.238 1.00 0.00 C ATOM 0 H THR A 33 -2.386 -2.166 11.109 1.00 0.00 H new ATOM 0 HA THR A 33 -1.424 -0.851 13.462 1.00 0.00 H new ATOM 0 HB THR A 33 -0.542 -0.458 10.622 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.540 -2.648 10.548 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.771 -0.592 11.608 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.788 0.678 12.375 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.045 -0.873 13.208 1.00 0.00 H new ATOM 516 N PHE A 34 -2.886 0.928 11.115 1.00 0.00 N ATOM 517 CA PHE A 34 -3.469 2.217 10.800 1.00 0.00 C ATOM 518 C PHE A 34 -4.984 1.978 10.746 1.00 0.00 C ATOM 519 O PHE A 34 -5.585 1.943 9.682 1.00 0.00 O ATOM 520 CB PHE A 34 -2.820 2.890 9.561 1.00 0.00 C ATOM 521 CG PHE A 34 -1.342 2.534 9.426 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.402 2.950 10.392 1.00 0.00 C ATOM 523 CD2 PHE A 34 -0.924 1.632 8.436 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.899 2.422 10.391 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.380 1.128 8.413 1.00 0.00 C ATOM 526 CZ PHE A 34 1.293 1.508 9.402 1.00 0.00 C ATOM 0 H PHE A 34 -3.120 0.204 10.436 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.263 2.971 11.560 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.351 2.581 8.661 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.927 3.972 9.639 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.685 3.679 11.137 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.624 1.320 7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.600 2.721 11.156 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.682 0.446 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.293 1.101 9.404 1.00 0.00 H new ATOM 536 N PRO A 35 -5.650 1.809 11.902 1.00 0.00 N ATOM 537 CA PRO A 35 -7.070 1.472 11.949 1.00 0.00 C ATOM 538 C PRO A 35 -7.967 2.692 11.658 1.00 0.00 C ATOM 539 O PRO A 35 -9.194 2.607 11.673 1.00 0.00 O ATOM 540 CB PRO A 35 -7.267 0.926 13.366 1.00 0.00 C ATOM 541 CG PRO A 35 -6.286 1.763 14.182 1.00 0.00 C ATOM 542 CD PRO A 35 -5.102 1.921 13.241 1.00 0.00 C ATOM 0 HA PRO A 35 -7.355 0.749 11.184 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.293 1.053 13.711 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.040 -0.138 13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.712 2.727 14.459 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.001 1.262 15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.613 2.884 13.385 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.351 1.152 13.423 1.00 0.00 H new ATOM 550 N ASN A 36 -7.361 3.870 11.497 1.00 0.00 N ATOM 551 CA ASN A 36 -8.051 5.138 11.329 1.00 0.00 C ATOM 552 C ASN A 36 -8.590 5.296 9.904 1.00 0.00 C ATOM 553 O ASN A 36 -9.586 5.994 9.704 1.00 0.00 O ATOM 554 CB ASN A 36 -7.070 6.270 11.673 1.00 0.00 C ATOM 555 CG ASN A 36 -7.768 7.520 12.206 1.00 0.00 C ATOM 556 OD1 ASN A 36 -7.405 8.008 13.274 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.757 8.056 11.515 1.00 0.00 N ATOM 0 H ASN A 36 -6.345 3.964 11.480 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.912 5.175 11.997 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.357 5.913 12.417 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.498 6.531 10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.232 8.888 11.866 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.046 7.639 10.630 1.00 0.00 H new ATOM 564 N LEU A 37 -7.944 4.671 8.910 1.00 0.00 N ATOM 565 CA LEU A 37 -8.371 4.688 7.528 1.00 0.00 C ATOM 566 C LEU A 37 -9.560 3.750 7.389 1.00 0.00 C ATOM 567 O LEU A 37 -9.563 2.662 7.965 1.00 0.00 O ATOM 568 CB LEU A 37 -7.257 4.173 6.600 1.00 0.00 C ATOM 569 CG LEU A 37 -5.886 4.862 6.631 1.00 0.00 C ATOM 570 CD1 LEU A 37 -6.018 6.312 6.187 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.160 4.528 7.893 1.00 0.00 C ATOM 0 H LEU A 37 -7.092 4.131 9.061 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.623 5.712 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.101 3.118 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.630 4.227 5.577 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.195 4.470 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.039 6.791 6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.412 6.347 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.697 6.838 6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.190 5.025 7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.744 4.865 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.015 3.449 7.955 1.00 0.00 H new ATOM 583 N GLU A 38 -10.523 4.101 6.552 1.00 0.00 N ATOM 584 CA GLU A 38 -11.633 3.232 6.197 1.00 0.00 C ATOM 585 C GLU A 38 -11.310 2.535 4.875 1.00 0.00 C ATOM 586 O GLU A 38 -10.603 3.120 4.050 1.00 0.00 O ATOM 587 CB GLU A 38 -12.917 4.071 6.089 1.00 0.00 C ATOM 588 CG GLU A 38 -13.421 4.550 7.454 1.00 0.00 C ATOM 589 CD GLU A 38 -14.040 3.391 8.227 1.00 0.00 C ATOM 590 OE1 GLU A 38 -15.262 3.163 8.089 1.00 0.00 O ATOM 591 OE2 GLU A 38 -13.302 2.631 8.893 1.00 0.00 O ATOM 0 H GLU A 38 -10.556 5.011 6.093 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.788 2.471 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.730 4.935 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.694 3.479 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.596 4.977 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.159 5.341 7.320 1.00 0.00 H new ATOM 598 N PRO A 39 -11.823 1.320 4.627 1.00 0.00 N ATOM 599 CA PRO A 39 -11.623 0.628 3.360 1.00 0.00 C ATOM 600 C PRO A 39 -12.455 1.284 2.250 1.00 0.00 C ATOM 601 O PRO A 39 -13.525 1.845 2.521 1.00 0.00 O ATOM 602 CB PRO A 39 -12.061 -0.817 3.629 1.00 0.00 C ATOM 603 CG PRO A 39 -13.113 -0.676 4.729 1.00 0.00 C ATOM 604 CD PRO A 39 -12.603 0.510 5.549 1.00 0.00 C ATOM 0 HA PRO A 39 -10.590 0.671 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.476 -1.283 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.224 -1.436 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.104 -0.484 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.188 -1.580 5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.431 1.082 5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.993 0.173 6.387 1.00 0.00 H new ATOM 612 N GLN A 40 -11.989 1.184 1.001 1.00 0.00 N ATOM 613 CA GLN A 40 -12.675 1.637 -0.197 1.00 0.00 C ATOM 614 C GLN A 40 -12.119 0.826 -1.370 1.00 0.00 C ATOM 615 O GLN A 40 -10.900 0.730 -1.533 1.00 0.00 O ATOM 616 CB GLN A 40 -12.434 3.151 -0.347 1.00 0.00 C ATOM 617 CG GLN A 40 -12.787 3.733 -1.730 1.00 0.00 C ATOM 618 CD GLN A 40 -12.957 5.262 -1.759 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.367 5.847 -2.760 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.657 5.978 -0.687 1.00 0.00 N ATOM 0 H GLN A 40 -11.082 0.765 0.796 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.753 1.483 -0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.019 3.673 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.384 3.359 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.005 3.454 -2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.711 3.272 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.315 5.516 0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.768 6.992 -0.703 1.00 0.00 H new ATOM 629 N MET A 41 -12.990 0.255 -2.203 1.00 0.00 N ATOM 630 CA MET A 41 -12.599 -0.378 -3.455 1.00 0.00 C ATOM 631 C MET A 41 -13.048 0.501 -4.618 1.00 0.00 C ATOM 632 O MET A 41 -14.196 0.437 -5.069 1.00 0.00 O ATOM 633 CB MET A 41 -13.157 -1.804 -3.533 1.00 0.00 C ATOM 634 CG MET A 41 -12.081 -2.853 -3.265 1.00 0.00 C ATOM 635 SD MET A 41 -12.237 -4.267 -4.370 1.00 0.00 S ATOM 636 CE MET A 41 -11.666 -3.463 -5.869 1.00 0.00 C ATOM 0 H MET A 41 -13.993 0.221 -2.023 1.00 0.00 H new ATOM 0 HA MET A 41 -11.514 -0.473 -3.509 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.963 -1.918 -2.809 1.00 0.00 H new ATOM 0 HB3 MET A 41 -13.589 -1.971 -4.520 1.00 0.00 H new ATOM 0 HG2 MET A 41 -11.096 -2.403 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.151 -3.190 -2.231 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.363 -4.218 -6.594 1.00 0.00 H new ATOM 0 HE2 MET A 41 -12.472 -2.861 -6.288 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.816 -2.821 -5.637 1.00 0.00 H new ATOM 646 N LYS A 42 -12.137 1.332 -5.116 1.00 0.00 N ATOM 647 CA LYS A 42 -12.342 2.271 -6.218 1.00 0.00 C ATOM 648 C LYS A 42 -11.602 1.724 -7.416 1.00 0.00 C ATOM 649 O LYS A 42 -10.550 1.130 -7.229 1.00 0.00 O ATOM 650 CB LYS A 42 -11.756 3.634 -5.806 1.00 0.00 C ATOM 651 CG LYS A 42 -12.732 4.790 -6.054 1.00 0.00 C ATOM 652 CD LYS A 42 -12.100 6.127 -5.659 1.00 0.00 C ATOM 653 CE LYS A 42 -11.097 6.611 -6.712 1.00 0.00 C ATOM 654 NZ LYS A 42 -10.077 7.489 -6.117 1.00 0.00 N ATOM 0 H LYS A 42 -11.188 1.372 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.398 2.395 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.490 3.607 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.836 3.814 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.016 4.813 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.645 4.631 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.882 6.875 -5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.597 6.022 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.613 5.752 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.625 7.147 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.716 8.143 -6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.499 8.034 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.293 6.912 -5.750 1.00 0.00 H new ATOM 668 N TRP A 43 -12.091 1.946 -8.633 1.00 0.00 N ATOM 669 CA TRP A 43 -11.371 1.609 -9.858 1.00 0.00 C ATOM 670 C TRP A 43 -10.969 0.120 -9.991 1.00 0.00 C ATOM 671 O TRP A 43 -10.136 -0.226 -10.830 1.00 0.00 O ATOM 672 CB TRP A 43 -10.190 2.586 -10.024 1.00 0.00 C ATOM 673 CG TRP A 43 -10.436 3.763 -10.914 1.00 0.00 C ATOM 674 CD1 TRP A 43 -11.272 4.801 -10.684 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.813 4.028 -12.200 1.00 0.00 C ATOM 676 NE1 TRP A 43 -11.191 5.697 -11.735 1.00 0.00 N ATOM 677 CE2 TRP A 43 -10.281 5.281 -12.686 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.887 3.323 -12.994 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -9.816 5.827 -13.892 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -8.409 3.860 -14.203 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.872 5.110 -14.649 1.00 0.00 C ATOM 0 H TRP A 43 -13.005 2.368 -8.798 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.060 1.735 -10.693 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.906 2.954 -9.038 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.337 2.031 -10.415 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.904 4.913 -9.815 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.735 6.557 -11.799 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.538 2.354 -12.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.178 6.785 -14.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.686 3.312 -14.789 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.502 5.521 -15.576 1.00 0.00 H new ATOM 692 N ASN A 44 -11.591 -0.777 -9.220 1.00 0.00 N ATOM 693 CA ASN A 44 -11.218 -2.173 -8.986 1.00 0.00 C ATOM 694 C ASN A 44 -9.809 -2.321 -8.420 1.00 0.00 C ATOM 695 O ASN A 44 -9.140 -3.327 -8.656 1.00 0.00 O ATOM 696 CB ASN A 44 -11.399 -3.087 -10.198 1.00 0.00 C ATOM 697 CG ASN A 44 -11.686 -4.521 -9.747 1.00 0.00 C ATOM 698 OD1 ASN A 44 -12.621 -4.764 -8.995 1.00 0.00 O ATOM 699 ND2 ASN A 44 -10.924 -5.507 -10.180 1.00 0.00 N ATOM 0 H ASN A 44 -12.434 -0.525 -8.704 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.931 -2.508 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.219 -2.723 -10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.500 -3.066 -10.815 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.115 -6.465 -9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.144 -5.311 -10.807 1.00 0.00 H new ATOM 706 N THR A 45 -9.335 -1.333 -7.672 1.00 0.00 N ATOM 707 CA THR A 45 -8.054 -1.370 -7.011 1.00 0.00 C ATOM 708 C THR A 45 -8.267 -1.061 -5.512 1.00 0.00 C ATOM 709 O THR A 45 -9.192 -0.332 -5.140 1.00 0.00 O ATOM 710 CB THR A 45 -7.063 -0.452 -7.757 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.553 0.861 -7.972 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.732 -1.012 -9.148 1.00 0.00 C ATOM 0 H THR A 45 -9.849 -0.467 -7.510 1.00 0.00 H new ATOM 0 HA THR A 45 -7.592 -2.357 -7.045 1.00 0.00 H new ATOM 0 HB THR A 45 -6.189 -0.414 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.448 0.944 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.032 -0.345 -9.651 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.283 -2.000 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.646 -1.089 -9.736 1.00 0.00 H new ATOM 720 N PRO A 46 -7.488 -1.685 -4.620 1.00 0.00 N ATOM 721 CA PRO A 46 -7.579 -1.475 -3.176 1.00 0.00 C ATOM 722 C PRO A 46 -7.037 -0.099 -2.766 1.00 0.00 C ATOM 723 O PRO A 46 -5.940 0.298 -3.174 1.00 0.00 O ATOM 724 CB PRO A 46 -6.736 -2.600 -2.568 1.00 0.00 C ATOM 725 CG PRO A 46 -5.747 -2.955 -3.678 1.00 0.00 C ATOM 726 CD PRO A 46 -6.544 -2.739 -4.942 1.00 0.00 C ATOM 0 HA PRO A 46 -8.612 -1.495 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.222 -2.271 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.351 -3.456 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.863 -2.318 -3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.401 -3.985 -3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.898 -2.449 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.059 -3.651 -5.243 1.00 0.00 H new ATOM 734 N MET A 47 -7.771 0.615 -1.911 1.00 0.00 N ATOM 735 CA MET A 47 -7.298 1.848 -1.292 1.00 0.00 C ATOM 736 C MET A 47 -7.898 2.011 0.104 1.00 0.00 C ATOM 737 O MET A 47 -8.777 1.239 0.501 1.00 0.00 O ATOM 738 CB MET A 47 -7.596 3.055 -2.202 1.00 0.00 C ATOM 739 CG MET A 47 -9.091 3.260 -2.464 1.00 0.00 C ATOM 740 SD MET A 47 -9.557 4.956 -2.897 1.00 0.00 S ATOM 741 CE MET A 47 -9.388 5.743 -1.269 1.00 0.00 C ATOM 0 H MET A 47 -8.715 0.350 -1.629 1.00 0.00 H new ATOM 0 HA MET A 47 -6.216 1.795 -1.171 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.187 3.956 -1.745 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.082 2.920 -3.154 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.399 2.596 -3.271 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.646 2.961 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.868 6.722 -1.286 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.863 5.119 -0.512 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.331 5.861 -1.030 1.00 0.00 H new ATOM 751 N PHE A 48 -7.429 3.016 0.848 1.00 0.00 N ATOM 752 CA PHE A 48 -7.960 3.352 2.161 1.00 0.00 C ATOM 753 C PHE A 48 -8.183 4.859 2.207 1.00 0.00 C ATOM 754 O PHE A 48 -7.435 5.639 1.607 1.00 0.00 O ATOM 755 CB PHE A 48 -7.046 2.930 3.330 1.00 0.00 C ATOM 756 CG PHE A 48 -6.332 1.591 3.279 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.394 1.273 2.273 1.00 0.00 C ATOM 758 CD2 PHE A 48 -6.556 0.685 4.329 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.765 0.012 2.256 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.013 -0.614 4.251 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.110 -0.938 3.221 1.00 0.00 C ATOM 0 H PHE A 48 -6.664 3.621 0.549 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.889 2.797 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.284 3.701 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.650 2.943 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.157 2.001 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.139 0.981 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.024 -0.218 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.290 -1.360 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.681 -1.928 3.176 1.00 0.00 H new ATOM 771 N SER A 49 -9.178 5.285 2.966 1.00 0.00 N ATOM 772 CA SER A 49 -9.693 6.639 2.966 1.00 0.00 C ATOM 773 C SER A 49 -9.859 7.102 4.404 1.00 0.00 C ATOM 774 O SER A 49 -10.688 6.577 5.140 1.00 0.00 O ATOM 775 CB SER A 49 -10.990 6.729 2.159 1.00 0.00 C ATOM 776 OG SER A 49 -11.730 5.518 2.067 1.00 0.00 O ATOM 0 H SER A 49 -9.665 4.674 3.622 1.00 0.00 H new ATOM 0 HA SER A 49 -8.988 7.309 2.475 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.626 7.492 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.749 7.067 1.151 1.00 0.00 H new ATOM 0 HG SER A 49 -12.687 5.712 2.150 1.00 0.00 H new ATOM 782 N ASN A 50 -9.053 8.072 4.822 1.00 0.00 N ATOM 783 CA ASN A 50 -9.174 8.698 6.138 1.00 0.00 C ATOM 784 C ASN A 50 -10.452 9.524 6.125 1.00 0.00 C ATOM 785 O ASN A 50 -10.424 10.624 5.588 1.00 0.00 O ATOM 786 CB ASN A 50 -7.979 9.615 6.466 1.00 0.00 C ATOM 787 CG ASN A 50 -8.322 10.442 7.704 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.888 9.924 8.668 1.00 0.00 O ATOM 789 ND2 ASN A 50 -8.055 11.728 7.698 1.00 0.00 N ATOM 0 H ASN A 50 -8.293 8.449 4.256 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.194 7.920 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.084 9.020 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.762 10.270 5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.317 12.307 8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.586 12.148 6.895 1.00 0.00 H new ATOM 796 N GLN A 51 -11.572 9.008 6.640 1.00 0.00 N ATOM 797 CA GLN A 51 -12.863 9.694 6.594 1.00 0.00 C ATOM 798 C GLN A 51 -13.133 10.298 5.196 1.00 0.00 C ATOM 799 O GLN A 51 -13.572 11.441 5.080 1.00 0.00 O ATOM 800 CB GLN A 51 -12.929 10.736 7.732 1.00 0.00 C ATOM 801 CG GLN A 51 -12.436 10.172 9.078 1.00 0.00 C ATOM 802 CD GLN A 51 -12.635 11.168 10.208 1.00 0.00 C ATOM 803 OE1 GLN A 51 -12.211 12.318 10.132 1.00 0.00 O ATOM 804 NE2 GLN A 51 -13.262 10.736 11.285 1.00 0.00 N ATOM 0 H GLN A 51 -11.607 8.099 7.102 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.666 8.975 6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.326 11.603 7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.956 11.084 7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.972 9.251 9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.380 9.915 9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.605 9.776 11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.404 11.362 12.078 1.00 0.00 H new ATOM 813 N GLY A 52 -12.751 9.582 4.130 1.00 0.00 N ATOM 814 CA GLY A 52 -13.000 9.982 2.750 1.00 0.00 C ATOM 815 C GLY A 52 -11.789 10.436 1.926 1.00 0.00 C ATOM 816 O GLY A 52 -11.957 10.554 0.712 1.00 0.00 O ATOM 0 H GLY A 52 -12.253 8.696 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.466 9.143 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.727 10.794 2.759 1.00 0.00 H new ATOM 820 N THR A 53 -10.596 10.663 2.495 1.00 0.00 N ATOM 821 CA THR A 53 -9.419 11.146 1.750 1.00 0.00 C ATOM 822 C THR A 53 -8.802 10.026 0.882 1.00 0.00 C ATOM 823 O THR A 53 -9.411 8.971 0.682 1.00 0.00 O ATOM 824 CB THR A 53 -8.389 11.789 2.711 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.985 12.254 3.894 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.667 12.995 2.097 1.00 0.00 C ATOM 0 H THR A 53 -10.417 10.517 3.489 1.00 0.00 H new ATOM 0 HA THR A 53 -9.744 11.925 1.060 1.00 0.00 H new ATOM 0 HB THR A 53 -7.681 10.986 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.307 11.492 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.959 13.401 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.132 12.681 1.201 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.397 13.761 1.834 1.00 0.00 H new ATOM 834 N PHE A 54 -7.616 10.233 0.297 1.00 0.00 N ATOM 835 CA PHE A 54 -6.998 9.351 -0.708 1.00 0.00 C ATOM 836 C PHE A 54 -5.524 9.027 -0.381 1.00 0.00 C ATOM 837 O PHE A 54 -4.737 8.675 -1.258 1.00 0.00 O ATOM 838 CB PHE A 54 -7.179 10.015 -2.082 1.00 0.00 C ATOM 839 CG PHE A 54 -6.837 9.136 -3.271 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.602 7.983 -3.534 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.757 9.464 -4.114 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.266 7.147 -4.612 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.466 8.664 -5.232 1.00 0.00 C ATOM 844 CZ PHE A 54 -6.212 7.500 -5.470 1.00 0.00 C ATOM 0 H PHE A 54 -7.039 11.045 0.515 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.492 8.379 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.215 10.341 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.558 10.910 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.447 7.741 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.151 10.332 -3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.818 6.234 -4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.670 8.944 -5.906 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.975 6.873 -6.317 1.00 0.00 H new ATOM 854 N ILE A 55 -5.149 9.155 0.894 1.00 0.00 N ATOM 855 CA ILE A 55 -3.781 9.201 1.411 1.00 0.00 C ATOM 856 C ILE A 55 -3.065 7.833 1.308 1.00 0.00 C ATOM 857 O ILE A 55 -1.895 7.733 1.663 1.00 0.00 O ATOM 858 CB ILE A 55 -3.816 9.787 2.858 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.552 11.153 2.925 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.417 9.967 3.468 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.894 11.618 4.352 1.00 0.00 C ATOM 0 H ILE A 55 -5.839 9.234 1.641 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.176 9.862 0.791 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.364 9.045 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.931 11.911 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.473 11.085 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.509 10.377 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.913 9.001 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.835 10.650 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.406 12.579 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.542 10.883 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.976 11.722 4.931 1.00 0.00 H new ATOM 873 N ILE A 56 -3.702 6.752 0.846 1.00 0.00 N ATOM 874 CA ILE A 56 -3.053 5.520 0.437 1.00 0.00 C ATOM 875 C ILE A 56 -3.947 4.766 -0.555 1.00 0.00 C ATOM 876 O ILE A 56 -5.129 4.540 -0.285 1.00 0.00 O ATOM 877 CB ILE A 56 -2.709 4.690 1.692 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.168 3.305 1.292 1.00 0.00 C ATOM 879 CG2 ILE A 56 -3.860 4.589 2.708 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.220 2.813 2.363 1.00 0.00 C ATOM 0 H ILE A 56 -4.717 6.718 0.746 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.118 5.729 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.922 5.233 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.991 2.602 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.653 3.366 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.541 3.991 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.134 5.588 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.722 4.117 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.834 1.832 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.391 3.514 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.751 2.738 3.312 1.00 0.00 H new ATOM 892 N GLY A 57 -3.377 4.314 -1.672 1.00 0.00 N ATOM 893 CA GLY A 57 -3.985 3.333 -2.563 1.00 0.00 C ATOM 894 C GLY A 57 -2.889 2.572 -3.293 1.00 0.00 C ATOM 895 O GLY A 57 -1.808 3.123 -3.522 1.00 0.00 O ATOM 0 H GLY A 57 -2.459 4.628 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.606 2.642 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.638 3.831 -3.280 1.00 0.00 H new ATOM 899 N PHE A 58 -3.119 1.312 -3.656 1.00 0.00 N ATOM 900 CA PHE A 58 -2.160 0.507 -4.409 1.00 0.00 C ATOM 901 C PHE A 58 -2.895 -0.365 -5.422 1.00 0.00 C ATOM 902 O PHE A 58 -4.127 -0.408 -5.446 1.00 0.00 O ATOM 903 CB PHE A 58 -1.240 -0.307 -3.471 1.00 0.00 C ATOM 904 CG PHE A 58 -1.850 -1.101 -2.332 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.479 -2.334 -2.577 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.666 -0.676 -1.004 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.991 -3.095 -1.512 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.142 -1.454 0.064 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.830 -2.652 -0.188 1.00 0.00 C ATOM 0 H PHE A 58 -3.983 0.817 -3.434 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.500 1.172 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.677 -1.005 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.520 0.387 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.569 -2.699 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.155 0.255 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.509 -4.022 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.979 -1.130 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.233 -3.230 0.631 1.00 0.00 H new ATOM 919 N SER A 59 -2.148 -1.075 -6.261 1.00 0.00 N ATOM 920 CA SER A 59 -2.645 -2.241 -6.968 1.00 0.00 C ATOM 921 C SER A 59 -1.458 -3.154 -7.239 1.00 0.00 C ATOM 922 O SER A 59 -0.300 -2.723 -7.177 1.00 0.00 O ATOM 923 CB SER A 59 -3.411 -1.844 -8.241 1.00 0.00 C ATOM 924 OG SER A 59 -2.870 -0.712 -8.902 1.00 0.00 O ATOM 0 H SER A 59 -1.174 -0.853 -6.468 1.00 0.00 H new ATOM 0 HA SER A 59 -3.374 -2.780 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.415 -2.689 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.450 -1.640 -7.981 1.00 0.00 H new ATOM 0 HG SER A 59 -3.401 -0.515 -9.702 1.00 0.00 H new ATOM 930 N THR A 60 -1.737 -4.419 -7.521 1.00 0.00 N ATOM 931 CA THR A 60 -0.738 -5.372 -7.961 1.00 0.00 C ATOM 932 C THR A 60 -0.260 -4.993 -9.366 1.00 0.00 C ATOM 933 O THR A 60 -0.956 -4.286 -10.108 1.00 0.00 O ATOM 934 CB THR A 60 -1.332 -6.790 -7.865 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.570 -6.915 -8.535 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.595 -7.172 -6.406 1.00 0.00 C ATOM 0 H THR A 60 -2.675 -4.813 -7.449 1.00 0.00 H new ATOM 0 HA THR A 60 0.145 -5.354 -7.323 1.00 0.00 H new ATOM 0 HB THR A 60 -0.592 -7.441 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.900 -7.833 -8.443 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.014 -8.177 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.659 -7.145 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.299 -6.466 -5.966 1.00 0.00 H new ATOM 944 N SER A 61 0.920 -5.472 -9.743 1.00 0.00 N ATOM 945 CA SER A 61 1.436 -5.431 -11.097 1.00 0.00 C ATOM 946 C SER A 61 2.111 -6.774 -11.393 1.00 0.00 C ATOM 947 O SER A 61 2.265 -7.604 -10.492 1.00 0.00 O ATOM 948 CB SER A 61 2.430 -4.280 -11.262 1.00 0.00 C ATOM 949 OG SER A 61 1.986 -3.058 -10.701 1.00 0.00 O ATOM 0 H SER A 61 1.563 -5.915 -9.087 1.00 0.00 H new ATOM 0 HA SER A 61 0.620 -5.262 -11.800 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.376 -4.560 -10.798 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.627 -4.132 -12.324 1.00 0.00 H new ATOM 0 HG SER A 61 2.692 -2.384 -10.785 1.00 0.00 H new ATOM 955 N LYS A 62 2.560 -6.959 -12.641 1.00 0.00 N ATOM 956 CA LYS A 62 3.170 -8.199 -13.126 1.00 0.00 C ATOM 957 C LYS A 62 4.196 -8.784 -12.144 1.00 0.00 C ATOM 958 O LYS A 62 4.016 -9.908 -11.681 1.00 0.00 O ATOM 959 CB LYS A 62 3.791 -7.979 -14.525 1.00 0.00 C ATOM 960 CG LYS A 62 2.878 -8.371 -15.704 1.00 0.00 C ATOM 961 CD LYS A 62 1.714 -7.432 -16.033 1.00 0.00 C ATOM 962 CE LYS A 62 2.218 -6.061 -16.501 1.00 0.00 C ATOM 963 NZ LYS A 62 1.372 -5.489 -17.565 1.00 0.00 N ATOM 0 H LYS A 62 2.507 -6.233 -13.356 1.00 0.00 H new ATOM 0 HA LYS A 62 2.374 -8.940 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.061 -6.928 -14.626 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.715 -8.554 -14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.499 -8.464 -16.595 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.466 -9.359 -15.498 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.093 -7.878 -16.810 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.084 -7.309 -15.152 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.244 -5.377 -15.653 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.241 -6.157 -16.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.751 -4.563 -17.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.367 -6.128 -18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.401 -5.372 -17.211 1.00 0.00 H new ATOM 977 N HIS A 63 5.261 -8.042 -11.823 1.00 0.00 N ATOM 978 CA HIS A 63 6.386 -8.554 -11.032 1.00 0.00 C ATOM 979 C HIS A 63 6.671 -7.734 -9.769 1.00 0.00 C ATOM 980 O HIS A 63 7.667 -7.994 -9.085 1.00 0.00 O ATOM 981 CB HIS A 63 7.609 -8.726 -11.943 1.00 0.00 C ATOM 982 CG HIS A 63 7.413 -9.882 -12.889 1.00 0.00 C ATOM 983 ND1 HIS A 63 7.184 -11.191 -12.517 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.352 -9.813 -14.252 1.00 0.00 C ATOM 985 CE1 HIS A 63 6.972 -11.903 -13.634 1.00 0.00 C ATOM 986 NE2 HIS A 63 7.099 -11.110 -14.715 1.00 0.00 N ATOM 0 H HIS A 63 5.368 -7.068 -12.105 1.00 0.00 H new ATOM 0 HA HIS A 63 6.112 -9.534 -10.640 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.777 -7.811 -12.510 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.499 -8.893 -11.337 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.475 -8.927 -14.857 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.735 -12.956 -13.662 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.025 -11.400 -15.690 1.00 0.00 H new ATOM 994 N HIS A 64 5.810 -6.763 -9.459 1.00 0.00 N ATOM 995 CA HIS A 64 5.921 -5.849 -8.336 1.00 0.00 C ATOM 996 C HIS A 64 4.526 -5.503 -7.827 1.00 0.00 C ATOM 997 O HIS A 64 3.556 -5.558 -8.587 1.00 0.00 O ATOM 998 CB HIS A 64 6.664 -4.568 -8.779 1.00 0.00 C ATOM 999 CG HIS A 64 6.092 -3.879 -9.993 1.00 0.00 C ATOM 1000 ND1 HIS A 64 6.452 -4.068 -11.309 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.187 -2.858 -9.957 1.00 0.00 C ATOM 1002 CE1 HIS A 64 5.768 -3.178 -12.052 1.00 0.00 C ATOM 1003 NE2 HIS A 64 4.984 -2.415 -11.268 1.00 0.00 N ATOM 0 H HIS A 64 4.975 -6.589 -10.018 1.00 0.00 H new ATOM 0 HA HIS A 64 6.486 -6.321 -7.532 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.665 -3.863 -7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.704 -4.823 -8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.711 -2.462 -9.072 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.838 -3.089 -13.126 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.365 -1.663 -11.570 1.00 0.00 H new ATOM 1011 N LEU A 65 4.422 -5.066 -6.577 1.00 0.00 N ATOM 1012 CA LEU A 65 3.330 -4.220 -6.101 1.00 0.00 C ATOM 1013 C LEU A 65 3.741 -2.760 -6.336 1.00 0.00 C ATOM 1014 O LEU A 65 4.936 -2.455 -6.398 1.00 0.00 O ATOM 1015 CB LEU A 65 3.074 -4.524 -4.609 1.00 0.00 C ATOM 1016 CG LEU A 65 1.864 -3.811 -3.967 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.520 -4.331 -4.474 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.859 -4.018 -2.456 1.00 0.00 C ATOM 0 H LEU A 65 5.104 -5.292 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 65 2.399 -4.412 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.937 -5.600 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.968 -4.256 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 65 1.975 -2.761 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.288 -3.789 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.455 -4.182 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.433 -5.394 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.999 -3.508 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.799 -5.084 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.776 -3.610 -2.030 1.00 0.00 H new ATOM 1030 N SER A 66 2.779 -1.843 -6.453 1.00 0.00 N ATOM 1031 CA SER A 66 3.014 -0.401 -6.531 1.00 0.00 C ATOM 1032 C SER A 66 2.397 0.271 -5.305 1.00 0.00 C ATOM 1033 O SER A 66 1.173 0.204 -5.193 1.00 0.00 O ATOM 1034 CB SER A 66 2.365 0.153 -7.804 1.00 0.00 C ATOM 1035 OG SER A 66 1.047 -0.319 -7.981 1.00 0.00 O ATOM 0 H SER A 66 1.790 -2.089 -6.497 1.00 0.00 H new ATOM 0 HA SER A 66 4.085 -0.201 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.356 1.242 -7.760 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.968 -0.126 -8.668 1.00 0.00 H new ATOM 0 HG SER A 66 0.574 -0.297 -7.123 1.00 0.00 H new ATOM 1041 N VAL A 67 3.186 0.878 -4.411 1.00 0.00 N ATOM 1042 CA VAL A 67 2.688 1.487 -3.166 1.00 0.00 C ATOM 1043 C VAL A 67 3.152 2.944 -3.069 1.00 0.00 C ATOM 1044 O VAL A 67 4.250 3.276 -3.510 1.00 0.00 O ATOM 1045 CB VAL A 67 3.127 0.618 -1.963 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.807 1.175 -0.567 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.472 -0.766 -2.093 1.00 0.00 C ATOM 0 H VAL A 67 4.196 0.963 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 67 1.598 1.515 -3.160 1.00 0.00 H new ATOM 0 HB VAL A 67 4.215 0.590 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.162 0.479 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.302 2.137 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.730 1.304 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.772 -1.391 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.388 -0.657 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.791 -1.234 -3.024 1.00 0.00 H new ATOM 1057 N SER A 68 2.303 3.812 -2.518 1.00 0.00 N ATOM 1058 CA SER A 68 2.547 5.223 -2.236 1.00 0.00 C ATOM 1059 C SER A 68 1.396 5.738 -1.364 1.00 0.00 C ATOM 1060 O SER A 68 0.299 5.164 -1.416 1.00 0.00 O ATOM 1061 CB SER A 68 2.553 6.007 -3.555 1.00 0.00 C ATOM 1062 OG SER A 68 2.990 7.346 -3.403 1.00 0.00 O ATOM 0 H SER A 68 1.364 3.527 -2.239 1.00 0.00 H new ATOM 0 HA SER A 68 3.504 5.349 -1.729 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.200 5.499 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.548 6.005 -3.977 1.00 0.00 H new ATOM 0 HG SER A 68 3.243 7.709 -4.278 1.00 0.00 H new ATOM 1068 N PRO A 69 1.593 6.820 -0.595 1.00 0.00 N ATOM 1069 CA PRO A 69 0.471 7.572 -0.076 1.00 0.00 C ATOM 1070 C PRO A 69 -0.181 8.417 -1.160 1.00 0.00 C ATOM 1071 O PRO A 69 -1.360 8.259 -1.461 1.00 0.00 O ATOM 1072 CB PRO A 69 1.041 8.506 1.002 1.00 0.00 C ATOM 1073 CG PRO A 69 2.538 8.588 0.668 1.00 0.00 C ATOM 1074 CD PRO A 69 2.841 7.250 -0.003 1.00 0.00 C ATOM 0 HA PRO A 69 -0.287 6.892 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.570 9.488 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.877 8.108 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.753 9.425 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.140 8.730 1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.617 7.358 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.203 6.521 0.722 1.00 0.00 H new ATOM 1082 N GLU A 70 0.621 9.275 -1.783 1.00 0.00 N ATOM 1083 CA GLU A 70 0.246 10.285 -2.749 1.00 0.00 C ATOM 1084 C GLU A 70 1.525 10.529 -3.542 1.00 0.00 C ATOM 1085 O GLU A 70 1.728 9.909 -4.584 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.284 11.576 -2.078 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.608 11.408 -1.311 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.321 12.740 -1.042 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.658 13.801 -1.012 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.564 12.734 -0.877 1.00 0.00 O ATOM 0 H GLU A 70 1.626 9.277 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.579 9.962 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.474 11.948 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.419 12.338 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.271 10.757 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.410 10.910 -0.362 1.00 0.00 H new ATOM 1097 N GLU A 71 2.427 11.342 -2.982 1.00 0.00 N ATOM 1098 CA GLU A 71 3.691 11.717 -3.611 1.00 0.00 C ATOM 1099 C GLU A 71 4.851 11.946 -2.627 1.00 0.00 C ATOM 1100 O GLU A 71 6.003 11.737 -3.008 1.00 0.00 O ATOM 1101 CB GLU A 71 3.494 12.955 -4.496 1.00 0.00 C ATOM 1102 CG GLU A 71 2.874 14.121 -3.721 1.00 0.00 C ATOM 1103 CD GLU A 71 3.089 15.444 -4.445 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.300 15.801 -5.345 1.00 0.00 O ATOM 1105 OE2 GLU A 71 4.094 16.134 -4.148 1.00 0.00 O ATOM 0 H GLU A 71 2.294 11.763 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 71 3.985 10.860 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.455 13.263 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.853 12.699 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.806 13.946 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.314 14.173 -2.725 1.00 0.00 H new ATOM 1112 N ILE A 72 4.616 12.396 -1.385 1.00 0.00 N ATOM 1113 CA ILE A 72 5.713 12.753 -0.479 1.00 0.00 C ATOM 1114 C ILE A 72 6.481 11.508 -0.051 1.00 0.00 C ATOM 1115 O ILE A 72 7.708 11.544 0.026 1.00 0.00 O ATOM 1116 CB ILE A 72 5.179 13.579 0.704 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.298 14.328 1.460 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.242 12.765 1.614 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.445 14.074 2.958 1.00 0.00 C ATOM 0 H ILE A 72 3.684 12.520 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 72 6.429 13.387 -1.002 1.00 0.00 H new ATOM 0 HB ILE A 72 4.553 14.365 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.247 14.079 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.140 15.397 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.893 13.394 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.387 12.415 1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.781 11.909 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.271 14.669 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.523 14.355 3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.647 13.017 3.130 1.00 0.00 H new ATOM 1131 N GLY A 73 5.780 10.378 0.091 1.00 0.00 N ATOM 1132 CA GLY A 73 6.358 9.053 0.276 1.00 0.00 C ATOM 1133 C GLY A 73 7.521 8.783 -0.678 1.00 0.00 C ATOM 1134 O GLY A 73 8.470 8.090 -0.330 1.00 0.00 O ATOM 0 H GLY A 73 4.760 10.366 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.705 8.952 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.586 8.299 0.125 1.00 0.00 H new ATOM 1138 N ILE A 74 7.471 9.358 -1.880 1.00 0.00 N ATOM 1139 CA ILE A 74 8.348 9.037 -2.993 1.00 0.00 C ATOM 1140 C ILE A 74 9.399 10.128 -3.187 1.00 0.00 C ATOM 1141 O ILE A 74 10.243 9.992 -4.078 1.00 0.00 O ATOM 1142 CB ILE A 74 7.490 8.836 -4.257 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.172 8.073 -3.970 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.252 8.094 -5.366 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.366 6.698 -3.304 1.00 0.00 C ATOM 0 H ILE A 74 6.793 10.085 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 74 8.890 8.114 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 74 7.249 9.844 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.542 8.689 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.634 7.936 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.606 7.977 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.136 8.667 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.555 7.112 -5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.394 6.233 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.967 6.061 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.874 6.825 -2.348 1.00 0.00 H new ATOM 1157 N SER A 75 9.378 11.187 -2.365 1.00 0.00 N ATOM 1158 CA SER A 75 10.413 12.206 -2.400 1.00 0.00 C ATOM 1159 C SER A 75 11.134 12.363 -1.053 1.00 0.00 C ATOM 1160 O SER A 75 12.365 12.379 -1.033 1.00 0.00 O ATOM 1161 CB SER A 75 9.834 13.526 -2.900 1.00 0.00 C ATOM 1162 OG SER A 75 9.565 13.420 -4.288 1.00 0.00 O ATOM 0 H SER A 75 8.650 11.352 -1.670 1.00 0.00 H new ATOM 0 HA SER A 75 11.178 11.879 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.919 13.765 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.536 14.339 -2.714 1.00 0.00 H new ATOM 0 HG SER A 75 9.191 14.265 -4.614 1.00 0.00 H new ATOM 1168 N GLN A 76 10.401 12.434 0.063 1.00 0.00 N ATOM 1169 CA GLN A 76 10.873 12.697 1.420 1.00 0.00 C ATOM 1170 C GLN A 76 11.476 11.424 2.002 1.00 0.00 C ATOM 1171 O GLN A 76 12.493 11.480 2.695 1.00 0.00 O ATOM 1172 CB GLN A 76 9.647 13.169 2.231 1.00 0.00 C ATOM 1173 CG GLN A 76 9.699 13.128 3.766 1.00 0.00 C ATOM 1174 CD GLN A 76 9.788 14.500 4.424 1.00 0.00 C ATOM 1175 OE1 GLN A 76 8.902 14.902 5.171 1.00 0.00 O ATOM 1176 NE2 GLN A 76 10.846 15.255 4.190 1.00 0.00 N ATOM 0 H GLN A 76 9.390 12.299 0.036 1.00 0.00 H new ATOM 0 HA GLN A 76 11.650 13.461 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.437 14.198 1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.795 12.567 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.810 12.617 4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.559 12.533 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.583 14.922 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.926 16.172 4.630 1.00 0.00 H new ATOM 1185 N PHE A 77 10.852 10.278 1.712 1.00 0.00 N ATOM 1186 CA PHE A 77 11.287 8.974 2.198 1.00 0.00 C ATOM 1187 C PHE A 77 12.060 8.201 1.120 1.00 0.00 C ATOM 1188 O PHE A 77 12.396 7.028 1.294 1.00 0.00 O ATOM 1189 CB PHE A 77 10.109 8.161 2.731 1.00 0.00 C ATOM 1190 CG PHE A 77 9.169 8.893 3.666 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.216 9.775 3.131 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.187 8.642 5.050 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.221 10.323 3.947 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.218 9.239 5.874 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.208 10.042 5.314 1.00 0.00 C ATOM 0 H PHE A 77 10.019 10.234 1.124 1.00 0.00 H new ATOM 0 HA PHE A 77 11.972 9.145 3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.533 7.793 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.501 7.288 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.252 10.032 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.940 7.995 5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.463 10.963 3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.249 9.081 6.942 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.424 10.440 5.941 1.00 0.00 H new ATOM 1205 N ALA A 78 12.300 8.860 -0.016 1.00 0.00 N ATOM 1206 CA ALA A 78 12.876 8.280 -1.208 1.00 0.00 C ATOM 1207 C ALA A 78 14.256 7.699 -0.942 1.00 0.00 C ATOM 1208 O ALA A 78 14.588 6.673 -1.531 1.00 0.00 O ATOM 1209 CB ALA A 78 12.994 9.374 -2.259 1.00 0.00 C ATOM 0 H ALA A 78 12.086 9.851 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 78 12.232 7.469 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.427 8.959 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.005 9.776 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.635 10.172 -1.883 1.00 0.00 H new ATOM 1215 N ASP A 79 15.041 8.354 -0.088 1.00 0.00 N ATOM 1216 CA ASP A 79 16.423 7.994 0.211 1.00 0.00 C ATOM 1217 C ASP A 79 16.429 6.728 1.058 1.00 0.00 C ATOM 1218 O ASP A 79 17.121 5.759 0.747 1.00 0.00 O ATOM 1219 CB ASP A 79 17.089 9.164 0.949 1.00 0.00 C ATOM 1220 CG ASP A 79 18.607 9.068 1.021 1.00 0.00 C ATOM 1221 OD1 ASP A 79 19.177 7.969 1.152 1.00 0.00 O ATOM 1222 OD2 ASP A 79 19.249 10.138 0.888 1.00 0.00 O ATOM 0 H ASP A 79 14.722 9.173 0.429 1.00 0.00 H new ATOM 0 HA ASP A 79 16.983 7.799 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.817 10.095 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.690 9.215 1.962 1.00 0.00 H new ATOM 1227 N ALA A 80 15.582 6.699 2.091 1.00 0.00 N ATOM 1228 CA ALA A 80 15.380 5.529 2.927 1.00 0.00 C ATOM 1229 C ALA A 80 14.878 4.329 2.102 1.00 0.00 C ATOM 1230 O ALA A 80 15.370 3.218 2.297 1.00 0.00 O ATOM 1231 CB ALA A 80 14.446 5.920 4.076 1.00 0.00 C ATOM 0 H ALA A 80 15.014 7.500 2.367 1.00 0.00 H new ATOM 0 HA ALA A 80 16.325 5.195 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.279 5.056 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.900 6.722 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.493 6.260 3.671 1.00 0.00 H new ATOM 1237 N ILE A 81 13.946 4.532 1.157 1.00 0.00 N ATOM 1238 CA ILE A 81 13.543 3.495 0.197 1.00 0.00 C ATOM 1239 C ILE A 81 14.756 3.084 -0.658 1.00 0.00 C ATOM 1240 O ILE A 81 14.984 1.892 -0.891 1.00 0.00 O ATOM 1241 CB ILE A 81 12.366 3.984 -0.694 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.062 4.239 0.099 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.047 2.964 -1.809 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.074 5.131 -0.673 1.00 0.00 C ATOM 0 H ILE A 81 13.453 5.417 1.038 1.00 0.00 H new ATOM 0 HA ILE A 81 13.190 2.623 0.747 1.00 0.00 H new ATOM 0 HB ILE A 81 12.707 4.929 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.586 3.285 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.305 4.710 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.220 3.334 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.926 2.827 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.770 2.010 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.175 5.281 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.538 6.096 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.808 4.649 -1.614 1.00 0.00 H new ATOM 1256 N ALA A 82 15.514 4.063 -1.165 1.00 0.00 N ATOM 1257 CA ALA A 82 16.565 3.844 -2.147 1.00 0.00 C ATOM 1258 C ALA A 82 17.648 2.952 -1.571 1.00 0.00 C ATOM 1259 O ALA A 82 18.023 1.975 -2.218 1.00 0.00 O ATOM 1260 CB ALA A 82 17.195 5.160 -2.608 1.00 0.00 C ATOM 0 H ALA A 82 15.408 5.041 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 82 16.104 3.361 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.975 4.953 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.430 5.791 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.629 5.675 -1.751 1.00 0.00 H new ATOM 1266 N GLN A 83 18.116 3.285 -0.369 1.00 0.00 N ATOM 1267 CA GLN A 83 19.140 2.557 0.355 1.00 0.00 C ATOM 1268 C GLN A 83 18.710 1.130 0.686 1.00 0.00 C ATOM 1269 O GLN A 83 19.577 0.267 0.800 1.00 0.00 O ATOM 1270 CB GLN A 83 19.460 3.291 1.653 1.00 0.00 C ATOM 1271 CG GLN A 83 20.307 4.558 1.474 1.00 0.00 C ATOM 1272 CD GLN A 83 20.670 5.145 2.837 1.00 0.00 C ATOM 1273 OE1 GLN A 83 21.180 4.440 3.704 1.00 0.00 O ATOM 1274 NE2 GLN A 83 20.403 6.416 3.072 1.00 0.00 N ATOM 0 H GLN A 83 17.775 4.100 0.140 1.00 0.00 H new ATOM 0 HA GLN A 83 20.019 2.502 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.525 3.561 2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.986 2.609 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.214 4.322 0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.756 5.293 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.979 6.991 2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.620 6.823 3.982 1.00 0.00 H new ATOM 1283 N ALA A 84 17.410 0.867 0.863 1.00 0.00 N ATOM 1284 CA ALA A 84 16.932 -0.494 1.070 1.00 0.00 C ATOM 1285 C ALA A 84 17.046 -1.329 -0.218 1.00 0.00 C ATOM 1286 O ALA A 84 17.156 -2.557 -0.146 1.00 0.00 O ATOM 1287 CB ALA A 84 15.496 -0.460 1.598 1.00 0.00 C ATOM 0 H ALA A 84 16.678 1.578 0.866 1.00 0.00 H new ATOM 0 HA ALA A 84 17.562 -0.980 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.141 -1.479 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.469 0.081 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.854 0.043 0.874 1.00 0.00 H new ATOM 1293 N GLY A 85 17.083 -0.678 -1.386 1.00 0.00 N ATOM 1294 CA GLY A 85 17.382 -1.280 -2.681 1.00 0.00 C ATOM 1295 C GLY A 85 16.215 -1.243 -3.668 1.00 0.00 C ATOM 1296 O GLY A 85 16.217 -2.003 -4.645 1.00 0.00 O ATOM 0 H GLY A 85 16.897 0.323 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.234 -0.763 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.682 -2.317 -2.528 1.00 0.00 H new ATOM 1300 N TYR A 86 15.198 -0.411 -3.422 1.00 0.00 N ATOM 1301 CA TYR A 86 13.904 -0.520 -4.085 1.00 0.00 C ATOM 1302 C TYR A 86 13.662 0.612 -5.086 1.00 0.00 C ATOM 1303 O TYR A 86 13.137 1.672 -4.749 1.00 0.00 O ATOM 1304 CB TYR A 86 12.807 -0.659 -3.025 1.00 0.00 C ATOM 1305 CG TYR A 86 12.922 -1.943 -2.219 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.901 -3.182 -2.887 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.098 -1.909 -0.819 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.169 -4.369 -2.186 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.374 -3.095 -0.112 1.00 0.00 C ATOM 1310 CZ TYR A 86 13.461 -4.324 -0.807 1.00 0.00 C ATOM 1311 OH TYR A 86 13.883 -5.463 -0.189 1.00 0.00 O ATOM 0 H TYR A 86 15.254 0.358 -2.754 1.00 0.00 H new ATOM 0 HA TYR A 86 13.888 -1.421 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.853 0.194 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.832 -0.628 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.678 -3.220 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.021 -0.971 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.151 -5.317 -2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.519 -3.066 0.958 1.00 0.00 H new ATOM 0 HH TYR A 86 14.047 -5.279 0.760 1.00 0.00 H new ATOM 1321 N SER A 87 14.009 0.343 -6.346 1.00 0.00 N ATOM 1322 CA SER A 87 13.830 1.199 -7.510 1.00 0.00 C ATOM 1323 C SER A 87 12.380 1.702 -7.666 1.00 0.00 C ATOM 1324 O SER A 87 11.528 0.999 -8.227 1.00 0.00 O ATOM 1325 CB SER A 87 14.278 0.393 -8.737 1.00 0.00 C ATOM 1326 OG SER A 87 15.586 -0.125 -8.566 1.00 0.00 O ATOM 0 H SER A 87 14.453 -0.542 -6.592 1.00 0.00 H new ATOM 0 HA SER A 87 14.432 2.101 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.580 -0.426 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.250 1.029 -9.622 1.00 0.00 H new ATOM 0 HG SER A 87 15.843 -0.635 -9.363 1.00 0.00 H new ATOM 1332 N ALA A 88 12.091 2.917 -7.186 1.00 0.00 N ATOM 1333 CA ALA A 88 10.782 3.571 -7.235 1.00 0.00 C ATOM 1334 C ALA A 88 10.497 4.196 -8.614 1.00 0.00 C ATOM 1335 O ALA A 88 11.344 4.130 -9.510 1.00 0.00 O ATOM 1336 CB ALA A 88 10.740 4.639 -6.134 1.00 0.00 C ATOM 0 H ALA A 88 12.797 3.496 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 88 10.005 2.824 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.773 5.141 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.887 4.166 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.531 5.369 -6.305 1.00 0.00 H new ATOM 1342 N THR A 89 9.313 4.785 -8.798 1.00 0.00 N ATOM 1343 CA THR A 89 8.984 5.773 -9.829 1.00 0.00 C ATOM 1344 C THR A 89 9.022 7.161 -9.164 1.00 0.00 C ATOM 1345 O THR A 89 9.480 7.290 -8.031 1.00 0.00 O ATOM 1346 CB THR A 89 7.626 5.462 -10.520 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.504 5.915 -9.790 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.404 3.979 -10.812 1.00 0.00 C ATOM 0 H THR A 89 8.515 4.574 -8.199 1.00 0.00 H new ATOM 0 HA THR A 89 9.714 5.741 -10.638 1.00 0.00 H new ATOM 0 HB THR A 89 7.706 6.011 -11.458 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.980 5.145 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.436 3.844 -11.294 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.192 3.616 -11.472 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.426 3.417 -9.878 1.00 0.00 H new ATOM 1356 N LYS A 90 8.549 8.205 -9.850 1.00 0.00 N ATOM 1357 CA LYS A 90 8.299 9.523 -9.260 1.00 0.00 C ATOM 1358 C LYS A 90 7.008 9.567 -8.439 1.00 0.00 C ATOM 1359 O LYS A 90 6.865 10.434 -7.577 1.00 0.00 O ATOM 1360 CB LYS A 90 8.234 10.571 -10.387 1.00 0.00 C ATOM 1361 CG LYS A 90 9.575 11.276 -10.623 1.00 0.00 C ATOM 1362 CD LYS A 90 10.773 10.352 -10.887 1.00 0.00 C ATOM 1363 CE LYS A 90 12.044 11.143 -11.223 1.00 0.00 C ATOM 1364 NZ LYS A 90 12.368 12.169 -10.211 1.00 0.00 N ATOM 0 H LYS A 90 8.326 8.158 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 90 9.118 9.741 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.917 10.086 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.476 11.315 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.466 11.951 -11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.799 11.892 -9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.953 9.732 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.537 9.678 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.882 10.452 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.921 11.624 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.302 12.577 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.649 12.920 -10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.381 11.733 -9.267 1.00 0.00 H new ATOM 1378 N GLY A 91 6.050 8.683 -8.722 1.00 0.00 N ATOM 1379 CA GLY A 91 4.692 8.763 -8.194 1.00 0.00 C ATOM 1380 C GLY A 91 4.386 7.664 -7.189 1.00 0.00 C ATOM 1381 O GLY A 91 3.530 7.847 -6.325 1.00 0.00 O ATOM 0 H GLY A 91 6.200 7.881 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.548 9.734 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.982 8.703 -9.019 1.00 0.00 H new ATOM 1385 N LEU A 92 5.077 6.526 -7.274 1.00 0.00 N ATOM 1386 CA LEU A 92 4.933 5.433 -6.333 1.00 0.00 C ATOM 1387 C LEU A 92 6.223 4.632 -6.263 1.00 0.00 C ATOM 1388 O LEU A 92 7.049 4.704 -7.170 1.00 0.00 O ATOM 1389 CB LEU A 92 3.679 4.602 -6.670 1.00 0.00 C ATOM 1390 CG LEU A 92 3.584 3.997 -8.085 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.453 2.747 -8.232 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.105 3.708 -8.377 1.00 0.00 C ATOM 0 H LEU A 92 5.759 6.343 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 92 4.768 5.815 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.613 3.786 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.805 5.235 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 92 3.970 4.707 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.356 2.353 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.495 3.004 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.128 1.992 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.008 3.278 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.719 3.004 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.536 4.636 -8.325 1.00 0.00 H new ATOM 1404 N PHE A 93 6.414 3.850 -5.204 1.00 0.00 N ATOM 1405 CA PHE A 93 7.553 2.949 -5.108 1.00 0.00 C ATOM 1406 C PHE A 93 7.126 1.542 -5.516 1.00 0.00 C ATOM 1407 O PHE A 93 5.936 1.228 -5.587 1.00 0.00 O ATOM 1408 CB PHE A 93 8.251 3.049 -3.741 1.00 0.00 C ATOM 1409 CG PHE A 93 7.504 2.482 -2.550 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.535 1.098 -2.300 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.826 3.334 -1.656 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.878 0.565 -1.183 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.168 2.799 -0.536 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.199 1.416 -0.301 1.00 0.00 C ATOM 0 H PHE A 93 5.790 3.824 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 93 8.327 3.251 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.213 2.541 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.460 4.100 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.068 0.443 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.812 4.399 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.895 -0.500 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.639 3.451 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.698 1.006 0.563 1.00 0.00 H new ATOM 1424 N ARG A 94 8.103 0.684 -5.809 1.00 0.00 N ATOM 1425 CA ARG A 94 7.867 -0.725 -6.085 1.00 0.00 C ATOM 1426 C ARG A 94 8.590 -1.543 -5.032 1.00 0.00 C ATOM 1427 O ARG A 94 9.523 -1.068 -4.382 1.00 0.00 O ATOM 1428 CB ARG A 94 8.352 -1.130 -7.491 1.00 0.00 C ATOM 1429 CG ARG A 94 7.374 -0.893 -8.637 1.00 0.00 C ATOM 1430 CD ARG A 94 7.207 0.548 -9.085 1.00 0.00 C ATOM 1431 NE ARG A 94 6.443 0.610 -10.345 1.00 0.00 N ATOM 1432 CZ ARG A 94 6.911 0.717 -11.596 1.00 0.00 C ATOM 1433 NH1 ARG A 94 8.210 0.841 -11.858 1.00 0.00 N ATOM 1434 NH2 ARG A 94 6.045 0.699 -12.599 1.00 0.00 N ATOM 0 H ARG A 94 9.085 0.953 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 94 6.794 -0.912 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.271 -0.584 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.608 -2.189 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.700 -1.483 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.398 -1.275 -8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.692 1.118 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.185 1.008 -9.223 1.00 0.00 H new ATOM 0 HE ARG A 94 5.428 0.566 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.885 0.857 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.530 0.920 -12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.047 0.605 -12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.376 0.779 -13.560 1.00 0.00 H new ATOM 1448 N ILE A 95 8.196 -2.797 -4.949 1.00 0.00 N ATOM 1449 CA ILE A 95 8.900 -3.894 -4.310 1.00 0.00 C ATOM 1450 C ILE A 95 8.880 -4.992 -5.378 1.00 0.00 C ATOM 1451 O ILE A 95 7.897 -5.060 -6.116 1.00 0.00 O ATOM 1452 CB ILE A 95 8.166 -4.356 -3.021 1.00 0.00 C ATOM 1453 CG1 ILE A 95 7.443 -3.230 -2.248 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.128 -5.093 -2.079 1.00 0.00 C ATOM 1455 CD1 ILE A 95 6.019 -2.983 -2.761 1.00 0.00 C ATOM 0 H ILE A 95 7.311 -3.100 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 95 9.907 -3.626 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 95 7.385 -5.031 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.404 -3.488 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.020 -2.309 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.591 -5.407 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.533 -5.969 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.944 -4.427 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.558 -2.182 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.055 -2.697 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.430 -3.894 -2.653 1.00 0.00 H new ATOM 1467 N PRO A 96 9.881 -5.875 -5.492 1.00 0.00 N ATOM 1468 CA PRO A 96 9.671 -7.147 -6.172 1.00 0.00 C ATOM 1469 C PRO A 96 8.571 -7.934 -5.459 1.00 0.00 C ATOM 1470 O PRO A 96 8.338 -7.736 -4.265 1.00 0.00 O ATOM 1471 CB PRO A 96 11.009 -7.880 -6.071 1.00 0.00 C ATOM 1472 CG PRO A 96 11.657 -7.267 -4.834 1.00 0.00 C ATOM 1473 CD PRO A 96 11.198 -5.818 -4.887 1.00 0.00 C ATOM 0 HA PRO A 96 9.360 -7.021 -7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.870 -8.955 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.619 -7.727 -6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.328 -7.761 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.744 -7.347 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.158 -5.378 -3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.880 -5.207 -5.478 1.00 0.00 H new ATOM 1481 N TRP A 97 7.922 -8.870 -6.148 1.00 0.00 N ATOM 1482 CA TRP A 97 7.090 -9.849 -5.463 1.00 0.00 C ATOM 1483 C TRP A 97 7.915 -10.759 -4.565 1.00 0.00 C ATOM 1484 O TRP A 97 7.531 -10.994 -3.425 1.00 0.00 O ATOM 1485 CB TRP A 97 6.273 -10.679 -6.455 1.00 0.00 C ATOM 1486 CG TRP A 97 5.064 -9.960 -6.956 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.660 -9.838 -8.239 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.030 -9.326 -6.154 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.532 -9.039 -8.292 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.104 -8.689 -7.026 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.773 -9.274 -4.770 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.016 -7.954 -6.534 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.660 -8.590 -4.264 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.803 -7.915 -5.143 1.00 0.00 C ATOM 0 H TRP A 97 7.956 -8.969 -7.163 1.00 0.00 H new ATOM 0 HA TRP A 97 6.398 -9.290 -4.832 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.905 -10.951 -7.301 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.965 -11.608 -5.976 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.143 -10.293 -9.091 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.075 -8.746 -9.155 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.446 -9.770 -4.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.355 -7.429 -7.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.464 -8.583 -3.202 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.967 -7.357 -4.748 1.00 0.00 H new ATOM 1505 N ASN A 98 9.033 -11.279 -5.074 1.00 0.00 N ATOM 1506 CA ASN A 98 9.746 -12.373 -4.419 1.00 0.00 C ATOM 1507 C ASN A 98 10.459 -11.967 -3.125 1.00 0.00 C ATOM 1508 O ASN A 98 10.722 -12.826 -2.286 1.00 0.00 O ATOM 1509 CB ASN A 98 10.759 -12.966 -5.402 1.00 0.00 C ATOM 1510 CG ASN A 98 11.400 -14.224 -4.832 1.00 0.00 C ATOM 1511 OD1 ASN A 98 10.719 -15.221 -4.608 1.00 0.00 O ATOM 1512 ND2 ASN A 98 12.707 -14.238 -4.645 1.00 0.00 N ATOM 0 H ASN A 98 9.464 -10.958 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 98 8.996 -13.109 -4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.263 -13.201 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.531 -12.229 -5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.165 -15.085 -4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.258 -13.401 -4.836 1.00 0.00 H new ATOM 1519 N ASP A 99 10.755 -10.679 -2.937 1.00 0.00 N ATOM 1520 CA ASP A 99 11.569 -10.166 -1.827 1.00 0.00 C ATOM 1521 C ASP A 99 10.670 -9.338 -0.893 1.00 0.00 C ATOM 1522 O ASP A 99 9.570 -8.948 -1.302 1.00 0.00 O ATOM 1523 CB ASP A 99 12.772 -9.365 -2.372 1.00 0.00 C ATOM 1524 CG ASP A 99 14.111 -9.883 -1.852 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.421 -11.072 -2.085 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.866 -9.115 -1.211 1.00 0.00 O ATOM 0 H ASP A 99 10.429 -9.945 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 99 11.987 -10.988 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.769 -9.409 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.661 -8.317 -2.095 1.00 0.00 H new ATOM 1531 N PRO A 100 11.059 -9.089 0.371 1.00 0.00 N ATOM 1532 CA PRO A 100 10.117 -8.635 1.384 1.00 0.00 C ATOM 1533 C PRO A 100 9.796 -7.141 1.269 1.00 0.00 C ATOM 1534 O PRO A 100 10.657 -6.300 1.010 1.00 0.00 O ATOM 1535 CB PRO A 100 10.775 -8.963 2.723 1.00 0.00 C ATOM 1536 CG PRO A 100 12.260 -8.820 2.408 1.00 0.00 C ATOM 1537 CD PRO A 100 12.346 -9.373 0.984 1.00 0.00 C ATOM 0 HA PRO A 100 9.154 -9.132 1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.459 -8.277 3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.527 -9.969 3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.589 -7.782 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.880 -9.387 3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.156 -8.900 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.548 -10.444 0.992 1.00 0.00 H new ATOM 1545 N VAL A 101 8.545 -6.815 1.567 1.00 0.00 N ATOM 1546 CA VAL A 101 7.977 -5.475 1.563 1.00 0.00 C ATOM 1547 C VAL A 101 8.280 -4.792 2.899 1.00 0.00 C ATOM 1548 O VAL A 101 7.978 -5.331 3.965 1.00 0.00 O ATOM 1549 CB VAL A 101 6.481 -5.573 1.183 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.748 -6.703 1.908 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.748 -4.246 1.371 1.00 0.00 C ATOM 0 H VAL A 101 7.860 -7.522 1.834 1.00 0.00 H new ATOM 0 HA VAL A 101 8.431 -4.831 0.809 1.00 0.00 H new ATOM 0 HB VAL A 101 6.471 -5.817 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.703 -6.717 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.214 -7.657 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.804 -6.541 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.701 -4.366 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.812 -3.940 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.207 -3.484 0.741 1.00 0.00 H new ATOM 1561 N HIS A 102 8.919 -3.625 2.845 1.00 0.00 N ATOM 1562 CA HIS A 102 9.427 -2.870 3.973 1.00 0.00 C ATOM 1563 C HIS A 102 8.340 -2.101 4.709 1.00 0.00 C ATOM 1564 O HIS A 102 8.200 -0.882 4.579 1.00 0.00 O ATOM 1565 CB HIS A 102 10.580 -1.977 3.487 1.00 0.00 C ATOM 1566 CG HIS A 102 11.658 -1.802 4.515 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.635 -1.087 5.693 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.865 -2.413 4.415 1.00 0.00 C ATOM 1569 CE1 HIS A 102 12.831 -1.254 6.285 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.614 -2.053 5.539 1.00 0.00 N ATOM 0 H HIS A 102 9.103 -3.159 1.956 1.00 0.00 H new ATOM 0 HA HIS A 102 9.813 -3.563 4.721 1.00 0.00 H new ATOM 0 HB2 HIS A 102 11.012 -2.410 2.585 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.184 -0.999 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.188 -3.060 3.613 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.121 -0.810 7.226 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.569 -2.341 5.752 1.00 0.00 H new ATOM 1578 N TYR A 103 7.596 -2.833 5.537 1.00 0.00 N ATOM 1579 CA TYR A 103 6.476 -2.320 6.303 1.00 0.00 C ATOM 1580 C TYR A 103 6.891 -1.081 7.087 1.00 0.00 C ATOM 1581 O TYR A 103 6.201 -0.071 7.022 1.00 0.00 O ATOM 1582 CB TYR A 103 5.951 -3.415 7.246 1.00 0.00 C ATOM 1583 CG TYR A 103 5.078 -4.510 6.648 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.995 -4.768 5.263 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.289 -5.271 7.528 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.083 -5.718 4.774 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.390 -6.238 7.053 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.272 -6.454 5.668 1.00 0.00 C ATOM 1589 OH TYR A 103 2.383 -7.366 5.195 1.00 0.00 O ATOM 0 H TYR A 103 7.766 -3.827 5.693 1.00 0.00 H new ATOM 0 HA TYR A 103 5.676 -2.032 5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.811 -3.892 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.382 -2.929 8.039 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.635 -4.233 4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.377 -5.108 8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.001 -5.887 3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.793 -6.812 7.746 1.00 0.00 H new ATOM 0 HH TYR A 103 1.909 -7.781 5.946 1.00 0.00 H new ATOM 1599 N GLU A 104 8.026 -1.108 7.788 1.00 0.00 N ATOM 1600 CA GLU A 104 8.380 -0.039 8.712 1.00 0.00 C ATOM 1601 C GLU A 104 8.715 1.294 8.019 1.00 0.00 C ATOM 1602 O GLU A 104 8.564 2.363 8.602 1.00 0.00 O ATOM 1603 CB GLU A 104 9.553 -0.519 9.569 1.00 0.00 C ATOM 1604 CG GLU A 104 9.455 0.106 10.956 1.00 0.00 C ATOM 1605 CD GLU A 104 8.342 -0.505 11.827 1.00 0.00 C ATOM 1606 OE1 GLU A 104 8.063 -1.723 11.718 1.00 0.00 O ATOM 1607 OE2 GLU A 104 7.692 0.223 12.603 1.00 0.00 O ATOM 0 H GLU A 104 8.713 -1.860 7.731 1.00 0.00 H new ATOM 0 HA GLU A 104 7.507 0.175 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.541 -1.606 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.497 -0.244 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.411 -0.011 11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.278 1.176 10.852 1.00 0.00 H new ATOM 1614 N LEU A 105 9.144 1.237 6.761 1.00 0.00 N ATOM 1615 CA LEU A 105 9.351 2.406 5.900 1.00 0.00 C ATOM 1616 C LEU A 105 7.993 2.965 5.502 1.00 0.00 C ATOM 1617 O LEU A 105 7.699 4.144 5.696 1.00 0.00 O ATOM 1618 CB LEU A 105 10.131 1.992 4.619 1.00 0.00 C ATOM 1619 CG LEU A 105 11.378 2.808 4.256 1.00 0.00 C ATOM 1620 CD1 LEU A 105 11.060 4.290 4.048 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.482 2.610 5.288 1.00 0.00 C ATOM 0 H LEU A 105 9.364 0.356 6.297 1.00 0.00 H new ATOM 0 HA LEU A 105 9.927 3.159 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.431 0.950 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.442 2.037 3.776 1.00 0.00 H new ATOM 0 HG LEU A 105 11.742 2.431 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.974 4.826 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.339 4.397 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.640 4.704 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.354 3.200 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.127 2.932 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.756 1.556 5.330 1.00 0.00 H new ATOM 1633 N LEU A 106 7.168 2.110 4.900 1.00 0.00 N ATOM 1634 CA LEU A 106 5.912 2.512 4.285 1.00 0.00 C ATOM 1635 C LEU A 106 4.863 2.906 5.330 1.00 0.00 C ATOM 1636 O LEU A 106 4.008 3.740 5.041 1.00 0.00 O ATOM 1637 CB LEU A 106 5.528 1.474 3.237 1.00 0.00 C ATOM 1638 CG LEU A 106 4.652 0.330 3.738 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.203 0.705 3.489 1.00 0.00 C ATOM 1640 CD2 LEU A 106 5.038 -0.956 3.025 1.00 0.00 C ATOM 0 H LEU A 106 7.358 1.110 4.827 1.00 0.00 H new ATOM 0 HA LEU A 106 6.010 3.445 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.006 1.979 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.441 1.052 2.816 1.00 0.00 H new ATOM 0 HG LEU A 106 4.793 0.162 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.554 -0.098 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.967 1.623 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.045 0.860 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.412 -1.773 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.895 -0.834 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.084 -1.185 3.228 1.00 0.00 H new ATOM 1652 N LYS A 107 5.010 2.395 6.556 1.00 0.00 N ATOM 1653 CA LYS A 107 4.392 2.872 7.786 1.00 0.00 C ATOM 1654 C LYS A 107 4.606 4.375 7.939 1.00 0.00 C ATOM 1655 O LYS A 107 3.642 5.103 8.133 1.00 0.00 O ATOM 1656 CB LYS A 107 5.020 2.094 8.947 1.00 0.00 C ATOM 1657 CG LYS A 107 4.690 2.642 10.335 1.00 0.00 C ATOM 1658 CD LYS A 107 5.391 1.821 11.414 1.00 0.00 C ATOM 1659 CE LYS A 107 4.430 1.080 12.342 1.00 0.00 C ATOM 1660 NZ LYS A 107 5.139 0.671 13.566 1.00 0.00 N ATOM 0 H LYS A 107 5.605 1.583 6.721 1.00 0.00 H new ATOM 0 HA LYS A 107 3.315 2.706 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.689 1.057 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.103 2.090 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.000 3.685 10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.612 2.619 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.051 1.097 10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.020 2.482 12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.587 1.722 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.023 0.205 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.566 -0.026 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.054 0.247 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.298 1.503 14.169 1.00 0.00 H new ATOM 1674 N GLN A 108 5.847 4.858 7.878 1.00 0.00 N ATOM 1675 CA GLN A 108 6.124 6.255 8.180 1.00 0.00 C ATOM 1676 C GLN A 108 5.362 7.162 7.211 1.00 0.00 C ATOM 1677 O GLN A 108 4.676 8.085 7.642 1.00 0.00 O ATOM 1678 CB GLN A 108 7.626 6.551 8.075 1.00 0.00 C ATOM 1679 CG GLN A 108 8.539 5.764 9.005 1.00 0.00 C ATOM 1680 CD GLN A 108 9.999 6.008 8.644 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.464 7.142 8.617 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.728 4.952 8.343 1.00 0.00 N ATOM 0 H GLN A 108 6.666 4.306 7.625 1.00 0.00 H new ATOM 0 HA GLN A 108 5.797 6.451 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.940 6.363 7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.779 7.613 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.359 6.060 10.039 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.313 4.700 8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.314 4.020 8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.707 5.066 8.079 1.00 0.00 H new ATOM 1691 N MET A 109 5.432 6.861 5.912 1.00 0.00 N ATOM 1692 CA MET A 109 4.743 7.618 4.871 1.00 0.00 C ATOM 1693 C MET A 109 3.254 7.285 4.769 1.00 0.00 C ATOM 1694 O MET A 109 2.632 7.579 3.749 1.00 0.00 O ATOM 1695 CB MET A 109 5.469 7.454 3.532 1.00 0.00 C ATOM 1696 CG MET A 109 5.336 6.058 2.925 1.00 0.00 C ATOM 1697 SD MET A 109 6.488 5.757 1.566 1.00 0.00 S ATOM 1698 CE MET A 109 7.995 5.490 2.535 1.00 0.00 C ATOM 0 H MET A 109 5.975 6.076 5.552 1.00 0.00 H new ATOM 0 HA MET A 109 4.778 8.670 5.155 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.078 8.186 2.825 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.526 7.680 3.672 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.501 5.313 3.704 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.316 5.922 2.565 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.866 5.742 1.930 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.974 6.123 3.422 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.053 4.444 2.836 1.00 0.00 H new ATOM 1708 N ILE A 110 2.644 6.658 5.772 1.00 0.00 N ATOM 1709 CA ILE A 110 1.212 6.636 5.923 1.00 0.00 C ATOM 1710 C ILE A 110 0.879 7.349 7.240 1.00 0.00 C ATOM 1711 O ILE A 110 0.095 8.289 7.213 1.00 0.00 O ATOM 1712 CB ILE A 110 0.739 5.186 5.680 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.704 5.130 5.204 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.981 4.155 6.786 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.751 5.301 6.291 1.00 0.00 C ATOM 0 H ILE A 110 3.143 6.150 6.502 1.00 0.00 H new ATOM 0 HA ILE A 110 0.634 7.199 5.191 1.00 0.00 H new ATOM 0 HB ILE A 110 1.416 4.866 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.853 5.906 4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.870 4.173 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.595 3.186 6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.050 4.074 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.470 4.470 7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.746 5.246 5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.638 4.510 7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.621 6.270 6.772 1.00 0.00 H new ATOM 1727 N GLU A 111 1.554 7.031 8.350 1.00 0.00 N ATOM 1728 CA GLU A 111 1.341 7.654 9.660 1.00 0.00 C ATOM 1729 C GLU A 111 1.582 9.167 9.622 1.00 0.00 C ATOM 1730 O GLU A 111 0.704 9.941 10.005 1.00 0.00 O ATOM 1731 CB GLU A 111 2.256 7.014 10.718 1.00 0.00 C ATOM 1732 CG GLU A 111 2.039 5.515 10.930 1.00 0.00 C ATOM 1733 CD GLU A 111 1.869 5.154 12.404 1.00 0.00 C ATOM 1734 OE1 GLU A 111 0.799 5.449 12.981 1.00 0.00 O ATOM 1735 OE2 GLU A 111 2.829 4.583 12.980 1.00 0.00 O ATOM 0 H GLU A 111 2.281 6.316 8.362 1.00 0.00 H new ATOM 0 HA GLU A 111 0.298 7.484 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.294 7.179 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.104 7.527 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.156 5.197 10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.887 4.966 10.520 1.00 0.00 H new ATOM 1742 N PHE A 112 2.749 9.611 9.133 1.00 0.00 N ATOM 1743 CA PHE A 112 3.022 11.039 8.996 1.00 0.00 C ATOM 1744 C PHE A 112 1.995 11.665 8.054 1.00 0.00 C ATOM 1745 O PHE A 112 1.418 12.703 8.361 1.00 0.00 O ATOM 1746 CB PHE A 112 4.442 11.304 8.471 1.00 0.00 C ATOM 1747 CG PHE A 112 4.757 12.769 8.181 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.354 13.796 9.060 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.397 13.124 6.979 1.00 0.00 C ATOM 1750 CE1 PHE A 112 4.559 15.145 8.717 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.587 14.468 6.622 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.165 15.483 7.495 1.00 0.00 C ATOM 0 H PHE A 112 3.510 9.003 8.829 1.00 0.00 H new ATOM 0 HA PHE A 112 2.948 11.492 9.985 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.159 10.931 9.202 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.589 10.728 7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.886 13.546 10.001 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.749 12.346 6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.249 15.925 9.397 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.055 14.720 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.306 16.520 7.228 1.00 0.00 H new ATOM 1762 N ASN A 113 1.750 11.008 6.918 1.00 0.00 N ATOM 1763 CA ASN A 113 0.894 11.521 5.855 1.00 0.00 C ATOM 1764 C ASN A 113 -0.535 11.757 6.349 1.00 0.00 C ATOM 1765 O ASN A 113 -1.229 12.625 5.822 1.00 0.00 O ATOM 1766 CB ASN A 113 0.893 10.530 4.676 1.00 0.00 C ATOM 1767 CG ASN A 113 1.217 11.202 3.351 1.00 0.00 C ATOM 1768 OD1 ASN A 113 2.235 10.878 2.752 1.00 0.00 O ATOM 1769 ND2 ASN A 113 0.439 12.149 2.862 1.00 0.00 N ATOM 0 H ASN A 113 2.148 10.092 6.711 1.00 0.00 H new ATOM 0 HA ASN A 113 1.291 12.482 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.621 9.742 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.084 10.052 4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.686 12.610 1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.409 12.420 3.360 1.00 0.00 H new ATOM 1776 N ILE A 114 -0.969 10.975 7.339 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.213 11.143 8.068 1.00 0.00 C ATOM 1778 C ILE A 114 -2.084 12.311 9.047 1.00 0.00 C ATOM 1779 O ILE A 114 -2.877 13.250 8.957 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.559 9.815 8.769 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.083 8.804 7.717 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.604 9.967 9.881 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.420 7.409 8.261 1.00 0.00 C ATOM 0 H ILE A 114 -0.432 10.171 7.664 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.032 11.387 7.391 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.643 9.459 9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.976 9.220 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.333 8.699 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.800 8.994 10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.228 10.650 10.643 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.528 10.365 9.460 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.778 6.778 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.527 6.964 8.700 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.195 7.493 9.023 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.137 12.260 9.999 1.00 0.00 N ATOM 1796 CA GLN A 115 -1.118 13.209 11.122 1.00 0.00 C ATOM 1797 C GLN A 115 -0.822 14.635 10.653 1.00 0.00 C ATOM 1798 O GLN A 115 -1.118 15.612 11.337 1.00 0.00 O ATOM 1799 CB GLN A 115 -0.152 12.741 12.226 1.00 0.00 C ATOM 1800 CG GLN A 115 1.330 12.968 11.902 1.00 0.00 C ATOM 1801 CD GLN A 115 2.288 12.314 12.907 1.00 0.00 C ATOM 1802 OE1 GLN A 115 1.903 11.455 13.695 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.557 12.693 12.924 1.00 0.00 N ATOM 0 H GLN A 115 -0.380 11.576 10.013 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.116 13.230 11.559 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.394 13.264 13.151 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.314 11.679 12.409 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.539 12.577 10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.526 14.040 11.871 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.885 13.406 12.273 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.206 12.272 13.588 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.268 14.753 9.453 1.00 0.00 N ATOM 1813 CA ASP A 116 0.014 16.021 8.783 1.00 0.00 C ATOM 1814 C ASP A 116 -1.263 16.758 8.360 1.00 0.00 C ATOM 1815 O ASP A 116 -1.239 17.953 8.069 1.00 0.00 O ATOM 1816 CB ASP A 116 0.915 15.723 7.582 1.00 0.00 C ATOM 1817 CG ASP A 116 1.399 16.976 6.868 1.00 0.00 C ATOM 1818 OD1 ASP A 116 2.077 17.823 7.490 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.118 17.114 5.654 1.00 0.00 O ATOM 0 H ASP A 116 0.008 13.942 8.899 1.00 0.00 H new ATOM 0 HA ASP A 116 0.518 16.693 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.778 15.148 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.371 15.097 6.875 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.402 16.066 8.377 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.718 16.532 7.960 1.00 0.00 C ATOM 1826 C LYS A 117 -4.708 16.492 9.118 1.00 0.00 C ATOM 1827 O LYS A 117 -5.914 16.392 8.889 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.233 15.646 6.826 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.260 15.432 5.668 1.00 0.00 C ATOM 1830 CD LYS A 117 -2.953 16.681 4.838 1.00 0.00 C ATOM 1831 CE LYS A 117 -3.942 16.806 3.675 1.00 0.00 C ATOM 1832 NZ LYS A 117 -3.354 17.558 2.552 1.00 0.00 N ATOM 0 H LYS A 117 -2.428 15.101 8.705 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.625 17.564 7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.498 14.673 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.149 16.085 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.324 15.041 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.668 14.667 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.010 17.568 5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.934 16.629 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.236 15.813 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.848 17.307 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -4.047 17.626 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.096 18.514 2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.504 17.065 2.212 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.209 16.470 10.352 1.00 0.00 N ATOM 1847 CA GLU A 118 -5.029 16.381 11.550 1.00 0.00 C ATOM 1848 C GLU A 118 -6.083 17.478 11.542 1.00 0.00 C ATOM 1849 O GLU A 118 -7.275 17.171 11.774 1.00 0.00 O ATOM 1850 CB GLU A 118 -4.127 16.427 12.793 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.166 15.120 13.603 1.00 0.00 C ATOM 1852 CD GLU A 118 -5.560 14.799 14.161 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -6.075 15.570 15.011 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -6.160 13.793 13.724 1.00 0.00 O ATOM 0 H GLU A 118 -3.209 16.514 10.547 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.564 15.432 11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.101 16.628 12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.437 17.255 13.431 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.836 14.297 12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.458 15.190 14.429 1.00 0.00 H new