USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 893 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 86 GLN : amide:sc= 0.835 K(o=1.8,f=-1.4) USER MOD Set 1.2: A 106 TYR OH : rot -4:sc= 0.965 USER MOD Set 2.1: A 99 GLN : amide:sc= 0.767 K(o=1.2,f=0.46) USER MOD Set 2.2: A 100 CYS SG : rot 15:sc= 0.475 USER MOD Set 3.1: A 92 ASN : amide:sc= -3.83! C(o=-5.9!,f=-15!) USER MOD Set 3.2: A 95 ASN : amide:sc= -2.11! C(o=-5.9!,f=-7.8!) USER MOD Set 4.1: A 10 SER OG : rot -87:sc= 0.745 USER MOD Set 4.2: A 71 TYR OH : rot -146:sc= 1.17 USER MOD Set 4.3: A 85 THR OG1 : rot -65:sc= 2.27 USER MOD Set 4.4: A 105 ASN : amide:sc= 1.26 K(o=5.4,f=1.5) USER MOD Set 5.1: A 59 ASN : amide:sc= -0.729 K(o=0.41,f=-9.1!) USER MOD Set 5.2: A 63 LYS NZ :NH3+ 168:sc= 1.14 (180deg=-0.349) USER MOD Set 6.1: A 56 SER OG : rot 67:sc= 0.853 USER MOD Set 6.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 12 HIS :FLIP no HE2:sc= -3.6! C(o=-5.1!,f=-3!) USER MOD Set 7.2: A 45 TYR OH : rot 180:sc= -0.0094 USER MOD Set 7.3: A 53 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Set 7.4: A 103 CYS SG : rot 80:sc= 0.566 USER MOD Set 8.1: A 16 MET CE :methyl 158:sc= -4.2! (180deg=-5.35!) USER MOD Set 8.2: A 57 HIS :FLIP no HD1:sc= 0 F(o=-5.1,f=-4.2) USER MOD Set 9.1: A 13 SER OG : rot 180:sc= 0.0359 USER MOD Set 9.2: A 19 THR OG1 : rot -120:sc= -0.124 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -158:sc= -0.188 (180deg=-0.785) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0556 (180deg=-0.408) USER MOD Single : A 7 THR OG1 : rot -111:sc= 0.883 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 1.05 (180deg=0.907) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -36:sc= -2.83! USER MOD Single : A 26 THR OG1 : rot -79:sc= 1.29 USER MOD Single : A 31 TYR OH : rot 150:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.89 K(o=0.89,f=-6.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-7.6!) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00552 USER MOD Single : A 52 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.3!) USER MOD Single : A 54 THR OG1 : rot 65:sc= 0.444 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= 0.591 (180deg=0.0902) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0146 F(o=-0.9,f=-0.015) USER MOD Single : A 61 CYS SG : rot -24:sc= 0.121 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.549 F(o=-2.2,f=-0.55) USER MOD Single : A 73 MET CE :methyl -111:sc= -0.249 (180deg=-0.724) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.003 (180deg=-0.124) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.171 F(o=-1.2,f=-0.17) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.384 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 91 TYR OH : rot -160:sc= 0.869 USER MOD Single : A 97 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.074) USER MOD Single : A 102 MET CE :methyl 142:sc= -0.0957 (180deg=-0.434) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -146:sc= -2.44! (180deg=-4.48!) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.0197 F(o=-1.7!,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.534 8.922 -16.993 1.00 8.25 N ATOM 2 CA GLY A 1 -12.415 9.557 -16.264 1.00 7.69 C ATOM 3 C GLY A 1 -11.120 9.485 -17.040 1.00 7.07 C ATOM 4 O GLY A 1 -11.017 10.015 -18.146 1.00 7.20 O ATOM 0 H1 GLY A 1 -14.403 8.993 -16.426 1.00 8.25 H new ATOM 0 H2 GLY A 1 -13.674 9.405 -17.903 1.00 8.25 H new ATOM 0 H3 GLY A 1 -13.313 7.920 -17.163 1.00 8.25 H new ATOM 0 HA2 GLY A 1 -12.659 10.600 -16.062 1.00 7.69 H new ATOM 0 HA3 GLY A 1 -12.287 9.067 -15.299 1.00 7.69 H new ATOM 10 N ALA A 2 -10.139 8.805 -16.471 1.00 6.74 N ATOM 11 CA ALA A 2 -8.826 8.684 -17.086 1.00 6.50 C ATOM 12 C ALA A 2 -8.177 7.367 -16.681 1.00 5.63 C ATOM 13 O ALA A 2 -8.853 6.471 -16.170 1.00 5.72 O ATOM 14 CB ALA A 2 -7.950 9.860 -16.681 1.00 7.23 C ATOM 0 H ALA A 2 -10.228 8.324 -15.576 1.00 6.74 H new ATOM 0 HA ALA A 2 -8.939 8.694 -18.170 1.00 6.50 H new ATOM 0 HB1 ALA A 2 -6.969 9.760 -17.146 1.00 7.23 H new ATOM 0 HB2 ALA A 2 -8.415 10.790 -17.009 1.00 7.23 H new ATOM 0 HB3 ALA A 2 -7.838 9.874 -15.597 1.00 7.23 H new ATOM 20 N MET A 3 -6.870 7.252 -16.902 1.00 5.15 N ATOM 21 CA MET A 3 -6.132 6.049 -16.523 1.00 4.60 C ATOM 22 C MET A 3 -6.050 5.940 -15.007 1.00 3.69 C ATOM 23 O MET A 3 -5.927 4.844 -14.454 1.00 3.99 O ATOM 24 CB MET A 3 -4.723 6.064 -17.122 1.00 5.41 C ATOM 25 CG MET A 3 -4.703 5.985 -18.632 1.00 6.28 C ATOM 26 SD MET A 3 -3.033 6.059 -19.312 1.00 7.11 S ATOM 27 CE MET A 3 -2.519 7.690 -18.770 1.00 7.93 C ATOM 0 H MET A 3 -6.300 7.976 -17.341 1.00 5.15 H new ATOM 0 HA MET A 3 -6.665 5.183 -16.916 1.00 4.60 H new ATOM 0 HB2 MET A 3 -4.214 6.975 -16.808 1.00 5.41 H new ATOM 0 HB3 MET A 3 -4.156 5.226 -16.716 1.00 5.41 H new ATOM 0 HG2 MET A 3 -5.179 5.057 -18.949 1.00 6.28 H new ATOM 0 HG3 MET A 3 -5.294 6.804 -19.042 1.00 6.28 H new ATOM 0 HE1 MET A 3 -1.709 8.046 -19.406 1.00 7.93 H new ATOM 0 HE2 MET A 3 -3.362 8.378 -18.837 1.00 7.93 H new ATOM 0 HE3 MET A 3 -2.174 7.638 -17.737 1.00 7.93 H new ATOM 37 N ASP A 4 -6.117 7.088 -14.340 1.00 3.10 N ATOM 38 CA ASP A 4 -6.160 7.132 -12.885 1.00 2.74 C ATOM 39 C ASP A 4 -7.523 6.683 -12.386 1.00 2.19 C ATOM 40 O ASP A 4 -8.452 7.484 -12.281 1.00 2.83 O ATOM 41 CB ASP A 4 -5.882 8.543 -12.359 1.00 3.07 C ATOM 42 CG ASP A 4 -4.430 8.963 -12.469 1.00 3.89 C ATOM 43 OD1 ASP A 4 -3.660 8.718 -11.516 1.00 4.39 O ATOM 44 OD2 ASP A 4 -4.040 9.502 -13.528 1.00 4.39 O ATOM 0 H ASP A 4 -6.143 8.004 -14.788 1.00 3.10 H new ATOM 0 HA ASP A 4 -5.386 6.460 -12.516 1.00 2.74 H new ATOM 0 HB2 ASP A 4 -6.499 9.254 -12.909 1.00 3.07 H new ATOM 0 HB3 ASP A 4 -6.188 8.598 -11.314 1.00 3.07 H new ATOM 49 N SER A 5 -7.648 5.403 -12.104 1.00 1.51 N ATOM 50 CA SER A 5 -8.886 4.869 -11.576 1.00 1.13 C ATOM 51 C SER A 5 -8.740 4.663 -10.078 1.00 0.89 C ATOM 52 O SER A 5 -8.340 3.588 -9.629 1.00 1.67 O ATOM 53 CB SER A 5 -9.234 3.557 -12.279 1.00 1.29 C ATOM 54 OG SER A 5 -10.576 3.173 -12.026 1.00 1.99 O ATOM 0 H SER A 5 -6.908 4.713 -12.232 1.00 1.51 H new ATOM 0 HA SER A 5 -9.699 5.572 -11.758 1.00 1.13 H new ATOM 0 HB2 SER A 5 -9.082 3.667 -13.353 1.00 1.29 H new ATOM 0 HB3 SER A 5 -8.559 2.771 -11.940 1.00 1.29 H new ATOM 0 HG SER A 5 -10.769 2.332 -12.490 1.00 1.99 H new ATOM 60 N LYS A 6 -9.006 5.728 -9.318 1.00 0.74 N ATOM 61 CA LYS A 6 -8.828 5.710 -7.871 1.00 0.49 C ATOM 62 C LYS A 6 -7.415 5.249 -7.532 1.00 0.39 C ATOM 63 O LYS A 6 -7.207 4.332 -6.738 1.00 0.48 O ATOM 64 CB LYS A 6 -9.872 4.809 -7.211 1.00 0.68 C ATOM 65 CG LYS A 6 -11.293 5.321 -7.367 1.00 0.95 C ATOM 66 CD LYS A 6 -12.292 4.437 -6.639 1.00 1.62 C ATOM 67 CE LYS A 6 -13.686 5.043 -6.654 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.731 6.356 -5.956 1.00 2.61 N ATOM 0 H LYS A 6 -9.347 6.616 -9.687 1.00 0.74 H new ATOM 0 HA LYS A 6 -8.968 6.719 -7.483 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.804 3.810 -7.642 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.642 4.715 -6.150 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.358 6.338 -6.981 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.550 5.365 -8.425 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -12.317 3.453 -7.107 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.968 4.292 -5.608 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -14.015 5.169 -7.685 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -14.385 4.355 -6.178 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -14.718 6.598 -5.734 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -13.182 6.300 -5.074 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.324 7.090 -6.571 1.00 2.61 H new ATOM 82 N THR A 7 -6.446 5.898 -8.154 1.00 0.30 N ATOM 83 CA THR A 7 -5.061 5.496 -8.047 1.00 0.27 C ATOM 84 C THR A 7 -4.273 6.570 -7.317 1.00 0.21 C ATOM 85 O THR A 7 -4.285 7.732 -7.722 1.00 0.22 O ATOM 86 CB THR A 7 -4.472 5.287 -9.458 1.00 0.33 C ATOM 87 OG1 THR A 7 -5.302 4.374 -10.190 1.00 0.43 O ATOM 88 CG2 THR A 7 -3.045 4.760 -9.403 1.00 0.34 C ATOM 0 H THR A 7 -6.600 6.715 -8.745 1.00 0.30 H new ATOM 0 HA THR A 7 -4.998 4.562 -7.489 1.00 0.27 H new ATOM 0 HB THR A 7 -4.446 6.254 -9.960 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.820 3.532 -10.327 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.667 4.627 -10.417 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.414 5.473 -8.871 1.00 0.34 H new ATOM 0 HG23 THR A 7 -3.030 3.803 -8.881 1.00 0.34 H new ATOM 96 N PHE A 8 -3.598 6.200 -6.241 1.00 0.19 N ATOM 97 CA PHE A 8 -2.847 7.177 -5.472 1.00 0.18 C ATOM 98 C PHE A 8 -1.443 6.670 -5.194 1.00 0.19 C ATOM 99 O PHE A 8 -1.246 5.492 -4.882 1.00 0.22 O ATOM 100 CB PHE A 8 -3.601 7.519 -4.181 1.00 0.21 C ATOM 101 CG PHE A 8 -3.385 6.580 -3.023 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.940 5.311 -3.037 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.603 6.951 -1.941 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.724 4.434 -1.994 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.379 6.074 -0.897 1.00 0.36 C ATOM 106 CZ PHE A 8 -3.034 4.884 -0.852 1.00 0.40 C ATOM 0 H PHE A 8 -3.555 5.245 -5.885 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.749 8.095 -6.052 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.311 8.522 -3.869 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.668 7.550 -4.404 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.549 5.004 -3.874 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -2.163 7.937 -1.913 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.079 3.416 -2.053 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.682 6.335 -0.115 1.00 0.36 H new ATOM 0 HZ PHE A 8 -3.025 4.290 0.050 1.00 0.40 H new ATOM 116 N LEU A 9 -0.469 7.551 -5.354 1.00 0.18 N ATOM 117 CA LEU A 9 0.921 7.205 -5.129 1.00 0.20 C ATOM 118 C LEU A 9 1.162 7.007 -3.639 1.00 0.20 C ATOM 119 O LEU A 9 0.598 7.711 -2.805 1.00 0.33 O ATOM 120 CB LEU A 9 1.826 8.312 -5.698 1.00 0.22 C ATOM 121 CG LEU A 9 3.259 7.903 -6.078 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.135 7.717 -4.848 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.247 6.633 -6.917 1.00 0.37 C ATOM 0 H LEU A 9 -0.620 8.518 -5.641 1.00 0.18 H new ATOM 0 HA LEU A 9 1.160 6.272 -5.640 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.343 8.725 -6.584 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.884 9.115 -4.963 1.00 0.22 H new ATOM 0 HG LEU A 9 3.686 8.713 -6.669 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.140 7.428 -5.157 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.182 8.652 -4.290 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.712 6.937 -4.215 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.269 6.359 -7.177 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.788 5.825 -6.347 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.675 6.805 -7.829 1.00 0.37 H new ATOM 135 N SER A 10 1.979 6.034 -3.307 1.00 0.32 N ATOM 136 CA SER A 10 2.276 5.725 -1.927 1.00 0.32 C ATOM 137 C SER A 10 3.720 5.297 -1.810 1.00 0.28 C ATOM 138 O SER A 10 4.370 5.006 -2.811 1.00 0.29 O ATOM 139 CB SER A 10 1.368 4.604 -1.432 1.00 0.41 C ATOM 140 OG SER A 10 0.020 4.893 -1.725 1.00 1.10 O ATOM 0 H SER A 10 2.455 5.436 -3.983 1.00 0.32 H new ATOM 0 HA SER A 10 2.105 6.612 -1.317 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.654 3.663 -1.901 1.00 0.41 H new ATOM 0 HB3 SER A 10 1.493 4.475 -0.357 1.00 0.41 H new ATOM 0 HG SER A 10 -0.364 5.430 -1.001 1.00 1.10 H new ATOM 146 N ARG A 11 4.215 5.245 -0.596 1.00 0.28 N ATOM 147 CA ARG A 11 5.558 4.759 -0.378 1.00 0.30 C ATOM 148 C ARG A 11 5.717 4.219 1.032 1.00 0.21 C ATOM 149 O ARG A 11 5.072 4.679 1.977 1.00 0.21 O ATOM 150 CB ARG A 11 6.606 5.833 -0.714 1.00 0.51 C ATOM 151 CG ARG A 11 7.480 6.254 0.452 1.00 0.99 C ATOM 152 CD ARG A 11 8.712 7.018 -0.013 1.00 1.00 C ATOM 153 NE ARG A 11 8.386 8.159 -0.871 1.00 1.28 N ATOM 154 CZ ARG A 11 9.104 9.283 -0.910 1.00 1.70 C ATOM 155 NH1 ARG A 11 10.127 9.443 -0.083 1.00 1.99 N ATOM 156 NH2 ARG A 11 8.783 10.251 -1.756 1.00 2.46 N ATOM 0 H ARG A 11 3.716 5.529 0.247 1.00 0.28 H new ATOM 0 HA ARG A 11 5.733 3.929 -1.062 1.00 0.30 H new ATOM 0 HB2 ARG A 11 7.246 5.459 -1.513 1.00 0.51 H new ATOM 0 HB3 ARG A 11 6.093 6.713 -1.102 1.00 0.51 H new ATOM 0 HG2 ARG A 11 6.901 6.877 1.134 1.00 0.99 H new ATOM 0 HG3 ARG A 11 7.789 5.371 1.012 1.00 0.99 H new ATOM 0 HD2 ARG A 11 9.264 7.371 0.858 1.00 1.00 H new ATOM 0 HD3 ARG A 11 9.371 6.339 -0.555 1.00 1.00 H new ATOM 0 HE ARG A 11 7.565 8.091 -1.472 1.00 1.28 H new ATOM 0 HH11 ARG A 11 10.365 8.707 0.582 1.00 1.99 H new ATOM 0 HH12 ARG A 11 10.677 10.302 -0.112 1.00 1.99 H new ATOM 0 HH21 ARG A 11 7.984 10.138 -2.381 1.00 2.46 H new ATOM 0 HH22 ARG A 11 9.334 11.109 -1.783 1.00 2.46 H new ATOM 170 N HIS A 12 6.550 3.212 1.146 1.00 0.25 N ATOM 171 CA HIS A 12 6.857 2.595 2.411 1.00 0.32 C ATOM 172 C HIS A 12 8.351 2.660 2.653 1.00 0.32 C ATOM 173 O HIS A 12 9.119 2.990 1.755 1.00 0.36 O ATOM 174 CB HIS A 12 6.413 1.129 2.426 1.00 0.36 C ATOM 175 CG HIS A 12 4.941 0.918 2.582 1.00 0.41 C ATOM 176 ND1 HIS A 12 3.946 0.837 1.667 1.00 0.89 N flip ATOM 177 CD2 HIS A 12 4.355 0.679 3.799 1.00 0.41 C flip ATOM 178 CE1 HIS A 12 2.787 0.547 2.348 1.00 0.86 C flip ATOM 179 NE2 HIS A 12 3.072 0.459 3.635 1.00 0.51 N flip ATOM 0 H HIS A 12 7.038 2.795 0.354 1.00 0.25 H new ATOM 0 HA HIS A 12 6.323 3.132 3.195 1.00 0.32 H new ATOM 0 HB2 HIS A 12 6.736 0.657 1.498 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.927 0.617 3.240 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.039 0.967 0.660 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.871 0.673 4.748 1.00 0.41 H new ATOM 0 HE1 HIS A 12 1.811 0.414 1.906 1.00 0.86 H new ATOM 188 N SER A 13 8.747 2.357 3.865 1.00 0.32 N ATOM 189 CA SER A 13 10.143 2.234 4.201 1.00 0.35 C ATOM 190 C SER A 13 10.560 0.774 4.094 1.00 0.43 C ATOM 191 O SER A 13 9.762 -0.075 3.687 1.00 0.91 O ATOM 192 CB SER A 13 10.375 2.765 5.614 1.00 0.68 C ATOM 193 OG SER A 13 9.359 2.312 6.496 1.00 1.70 O ATOM 0 H SER A 13 8.111 2.189 4.645 1.00 0.32 H new ATOM 0 HA SER A 13 10.747 2.820 3.509 1.00 0.35 H new ATOM 0 HB2 SER A 13 11.349 2.437 5.975 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.391 3.855 5.600 1.00 0.68 H new ATOM 0 HG SER A 13 9.527 2.662 7.396 1.00 1.70 H new ATOM 199 N MET A 14 11.796 0.494 4.473 1.00 0.27 N ATOM 200 CA MET A 14 12.299 -0.871 4.578 1.00 0.36 C ATOM 201 C MET A 14 11.391 -1.701 5.484 1.00 0.33 C ATOM 202 O MET A 14 11.279 -2.917 5.334 1.00 0.40 O ATOM 203 CB MET A 14 13.721 -0.838 5.145 1.00 0.56 C ATOM 204 CG MET A 14 14.306 -2.207 5.451 1.00 1.35 C ATOM 205 SD MET A 14 15.985 -2.103 6.103 1.00 1.76 S ATOM 206 CE MET A 14 16.334 -3.832 6.418 1.00 2.75 C ATOM 0 H MET A 14 12.483 1.207 4.718 1.00 0.27 H new ATOM 0 HA MET A 14 12.311 -1.330 3.590 1.00 0.36 H new ATOM 0 HB2 MET A 14 14.371 -0.329 4.433 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.721 -0.244 6.059 1.00 0.56 H new ATOM 0 HG2 MET A 14 13.669 -2.719 6.173 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.308 -2.810 4.543 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.340 -3.932 6.825 1.00 2.75 H new ATOM 0 HE2 MET A 14 15.612 -4.224 7.134 1.00 2.75 H new ATOM 0 HE3 MET A 14 16.262 -4.393 5.486 1.00 2.75 H new ATOM 216 N ASP A 15 10.719 -1.016 6.401 1.00 0.36 N ATOM 217 CA ASP A 15 9.865 -1.669 7.384 1.00 0.41 C ATOM 218 C ASP A 15 8.474 -1.966 6.823 1.00 0.34 C ATOM 219 O ASP A 15 7.765 -2.830 7.343 1.00 0.41 O ATOM 220 CB ASP A 15 9.756 -0.788 8.628 1.00 0.56 C ATOM 221 CG ASP A 15 8.690 -1.259 9.591 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.885 -2.306 10.237 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.655 -0.574 9.709 1.00 1.49 O ATOM 0 H ASP A 15 10.750 0.000 6.484 1.00 0.36 H new ATOM 0 HA ASP A 15 10.319 -2.625 7.646 1.00 0.41 H new ATOM 0 HB2 ASP A 15 10.718 -0.770 9.140 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.537 0.236 8.324 1.00 0.56 H new ATOM 228 N MET A 16 8.102 -1.278 5.739 1.00 0.29 N ATOM 229 CA MET A 16 6.767 -1.431 5.156 1.00 0.35 C ATOM 230 C MET A 16 5.665 -1.037 6.156 1.00 0.37 C ATOM 231 O MET A 16 4.791 -1.841 6.471 1.00 0.69 O ATOM 232 CB MET A 16 6.563 -2.890 4.699 1.00 0.49 C ATOM 233 CG MET A 16 5.282 -3.148 3.911 1.00 0.67 C ATOM 234 SD MET A 16 5.230 -2.267 2.344 1.00 0.73 S ATOM 235 CE MET A 16 6.717 -2.883 1.570 1.00 0.48 C ATOM 0 H MET A 16 8.703 -0.614 5.251 1.00 0.29 H new ATOM 0 HA MET A 16 6.695 -0.762 4.298 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.414 -3.185 4.085 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.566 -3.534 5.579 1.00 0.49 H new ATOM 0 HG2 MET A 16 5.187 -4.217 3.723 1.00 0.67 H new ATOM 0 HG3 MET A 16 4.425 -2.853 4.516 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.642 -2.761 0.489 1.00 0.48 H new ATOM 0 HE2 MET A 16 7.577 -2.325 1.939 1.00 0.48 H new ATOM 0 HE3 MET A 16 6.840 -3.940 1.808 1.00 0.48 H new ATOM 245 N LYS A 17 5.689 0.203 6.655 1.00 0.31 N ATOM 246 CA LYS A 17 4.613 0.661 7.535 1.00 0.31 C ATOM 247 C LYS A 17 3.681 1.609 6.780 1.00 0.27 C ATOM 248 O LYS A 17 2.504 1.338 6.645 1.00 0.29 O ATOM 249 CB LYS A 17 5.172 1.351 8.786 1.00 0.42 C ATOM 250 CG LYS A 17 6.181 2.447 8.491 1.00 0.59 C ATOM 251 CD LYS A 17 6.483 3.302 9.719 1.00 0.70 C ATOM 252 CE LYS A 17 6.795 2.475 10.960 1.00 0.98 C ATOM 253 NZ LYS A 17 8.070 1.725 10.847 1.00 1.40 N ATOM 0 H LYS A 17 6.420 0.890 6.471 1.00 0.31 H new ATOM 0 HA LYS A 17 4.047 -0.213 7.858 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.344 1.777 9.353 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.642 0.601 9.422 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.105 1.998 8.127 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.800 3.084 7.693 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.329 3.954 9.502 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.629 3.947 9.925 1.00 0.70 H new ATOM 0 HE2 LYS A 17 6.842 3.134 11.827 1.00 0.98 H new ATOM 0 HE3 LYS A 17 5.980 1.773 11.137 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 8.257 1.221 11.738 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.001 1.039 10.069 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 8.847 2.389 10.655 1.00 1.40 H new ATOM 267 N PHE A 18 4.263 2.694 6.262 1.00 0.29 N ATOM 268 CA PHE A 18 3.598 3.697 5.414 1.00 0.30 C ATOM 269 C PHE A 18 4.290 5.029 5.645 1.00 0.38 C ATOM 270 O PHE A 18 4.048 5.709 6.635 1.00 0.68 O ATOM 271 CB PHE A 18 2.091 3.844 5.673 1.00 0.27 C ATOM 272 CG PHE A 18 1.240 3.344 4.528 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.281 3.963 3.283 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.385 2.260 4.700 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.491 3.509 2.243 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.403 1.807 3.659 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.307 2.412 2.408 1.00 0.44 C ATOM 0 H PHE A 18 5.247 2.909 6.426 1.00 0.29 H new ATOM 0 HA PHE A 18 3.683 3.361 4.381 1.00 0.30 H new ATOM 0 HB2 PHE A 18 1.829 3.296 6.578 1.00 0.27 H new ATOM 0 HB3 PHE A 18 1.861 4.893 5.857 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.937 4.807 3.127 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.336 1.766 5.659 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.505 4.025 1.294 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -1.090 0.988 3.815 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.862 2.015 1.571 1.00 0.44 H new ATOM 287 N THR A 19 5.196 5.354 4.751 1.00 0.21 N ATOM 288 CA THR A 19 6.074 6.494 4.926 1.00 0.23 C ATOM 289 C THR A 19 5.672 7.651 4.008 1.00 0.22 C ATOM 290 O THR A 19 6.085 8.792 4.207 1.00 0.26 O ATOM 291 CB THR A 19 7.525 6.058 4.657 1.00 0.30 C ATOM 292 OG1 THR A 19 7.684 4.695 5.085 1.00 0.63 O ATOM 293 CG2 THR A 19 8.520 6.926 5.410 1.00 0.43 C ATOM 0 H THR A 19 5.347 4.839 3.884 1.00 0.21 H new ATOM 0 HA THR A 19 5.989 6.854 5.951 1.00 0.23 H new ATOM 0 HB THR A 19 7.721 6.161 3.590 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.375 4.648 5.778 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.534 6.588 5.195 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.409 7.964 5.095 1.00 0.43 H new ATOM 0 HG23 THR A 19 8.332 6.850 6.481 1.00 0.43 H new ATOM 301 N TYR A 20 4.853 7.345 3.006 1.00 0.21 N ATOM 302 CA TYR A 20 4.267 8.369 2.149 1.00 0.23 C ATOM 303 C TYR A 20 2.899 7.927 1.650 1.00 0.21 C ATOM 304 O TYR A 20 2.713 6.773 1.250 1.00 0.22 O ATOM 305 CB TYR A 20 5.178 8.688 0.961 1.00 0.31 C ATOM 306 CG TYR A 20 4.527 9.571 -0.084 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.531 10.954 0.055 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.922 9.028 -1.211 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.952 11.770 -0.897 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.341 9.839 -2.170 1.00 0.57 C ATOM 311 CZ TYR A 20 3.303 11.177 -2.000 1.00 0.64 C ATOM 312 OH TYR A 20 2.786 12.025 -2.957 1.00 0.77 O ATOM 0 H TYR A 20 4.580 6.392 2.767 1.00 0.21 H new ATOM 0 HA TYR A 20 4.154 9.274 2.745 1.00 0.23 H new ATOM 0 HB2 TYR A 20 6.080 9.178 1.327 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.490 7.755 0.492 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.995 11.398 0.923 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.905 7.956 -1.341 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.995 12.845 -0.799 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.916 9.398 -3.060 1.00 0.57 H new ATOM 0 HH TYR A 20 2.364 11.498 -3.668 1.00 0.77 H new ATOM 322 N CYS A 21 1.945 8.842 1.693 1.00 0.19 N ATOM 323 CA CYS A 21 0.612 8.603 1.172 1.00 0.19 C ATOM 324 C CYS A 21 0.155 9.804 0.362 1.00 0.18 C ATOM 325 O CYS A 21 0.288 10.943 0.809 1.00 0.21 O ATOM 326 CB CYS A 21 -0.357 8.359 2.324 1.00 0.20 C ATOM 327 SG CYS A 21 -0.028 6.852 3.251 1.00 0.34 S ATOM 0 H CYS A 21 2.074 9.772 2.091 1.00 0.19 H new ATOM 0 HA CYS A 21 0.631 7.723 0.529 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.316 9.209 3.006 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.372 8.316 1.929 1.00 0.20 H new ATOM 0 HG CYS A 21 0.388 5.926 2.440 1.00 0.34 H new ATOM 333 N ASP A 22 -0.351 9.552 -0.833 1.00 0.17 N ATOM 334 CA ASP A 22 -0.886 10.624 -1.666 1.00 0.18 C ATOM 335 C ASP A 22 -2.185 11.156 -1.069 1.00 0.18 C ATOM 336 O ASP A 22 -2.851 10.461 -0.301 1.00 0.20 O ATOM 337 CB ASP A 22 -1.121 10.132 -3.096 1.00 0.20 C ATOM 338 CG ASP A 22 -1.528 11.249 -4.035 1.00 0.27 C ATOM 339 OD1 ASP A 22 -0.636 11.939 -4.567 1.00 0.67 O ATOM 340 OD2 ASP A 22 -2.741 11.449 -4.232 1.00 0.55 O ATOM 0 H ASP A 22 -0.404 8.622 -1.249 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.156 11.433 -1.698 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.211 9.662 -3.469 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -1.896 9.366 -3.090 1.00 0.20 H new ATOM 345 N ASP A 23 -2.549 12.374 -1.444 1.00 0.20 N ATOM 346 CA ASP A 23 -3.698 13.061 -0.851 1.00 0.23 C ATOM 347 C ASP A 23 -4.987 12.310 -1.144 1.00 0.21 C ATOM 348 O ASP A 23 -5.921 12.312 -0.341 1.00 0.23 O ATOM 349 CB ASP A 23 -3.793 14.497 -1.376 1.00 0.31 C ATOM 350 CG ASP A 23 -4.974 15.254 -0.796 1.00 1.33 C ATOM 351 OD1 ASP A 23 -4.819 15.868 0.281 1.00 1.97 O ATOM 352 OD2 ASP A 23 -6.059 15.244 -1.421 1.00 2.12 O ATOM 0 H ASP A 23 -2.064 12.914 -2.161 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.554 13.091 0.229 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -2.872 15.029 -1.137 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -3.877 14.478 -2.463 1.00 0.31 H new ATOM 357 N ARG A 24 -5.006 11.641 -2.291 1.00 0.20 N ATOM 358 CA ARG A 24 -6.173 10.897 -2.760 1.00 0.21 C ATOM 359 C ARG A 24 -6.636 9.841 -1.753 1.00 0.19 C ATOM 360 O ARG A 24 -7.794 9.415 -1.776 1.00 0.21 O ATOM 361 CB ARG A 24 -5.864 10.235 -4.101 1.00 0.24 C ATOM 362 CG ARG A 24 -5.585 11.228 -5.219 1.00 0.66 C ATOM 363 CD ARG A 24 -5.205 10.529 -6.516 1.00 1.23 C ATOM 364 NE ARG A 24 -4.508 11.429 -7.442 1.00 1.64 N ATOM 365 CZ ARG A 24 -4.261 11.152 -8.726 1.00 2.49 C ATOM 366 NH1 ARG A 24 -4.700 10.021 -9.261 1.00 3.22 N ATOM 367 NH2 ARG A 24 -3.568 12.006 -9.471 1.00 2.98 N ATOM 0 H ARG A 24 -4.209 11.598 -2.926 1.00 0.20 H new ATOM 0 HA ARG A 24 -6.987 11.613 -2.877 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.000 9.581 -3.983 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.705 9.604 -4.388 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -6.468 11.846 -5.385 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -4.779 11.897 -4.918 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -4.567 9.673 -6.293 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.104 10.141 -6.995 1.00 1.23 H new ATOM 0 HE ARG A 24 -4.190 12.328 -7.081 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -5.228 9.359 -8.692 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -4.510 9.813 -10.241 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -3.223 12.875 -9.063 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -3.381 11.793 -10.451 1.00 2.98 H new ATOM 381 N ILE A 25 -5.735 9.420 -0.870 1.00 0.17 N ATOM 382 CA ILE A 25 -6.037 8.352 0.081 1.00 0.18 C ATOM 383 C ILE A 25 -7.206 8.739 0.994 1.00 0.19 C ATOM 384 O ILE A 25 -7.957 7.877 1.445 1.00 0.21 O ATOM 385 CB ILE A 25 -4.806 7.977 0.941 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.079 6.690 1.719 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.442 9.105 1.899 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.875 6.163 2.461 1.00 0.76 C ATOM 0 H ILE A 25 -4.792 9.800 -0.792 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.319 7.480 -0.508 1.00 0.18 H new ATOM 0 HB ILE A 25 -3.961 7.816 0.272 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.884 6.870 2.432 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.432 5.925 1.027 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.574 8.814 2.490 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.208 10.005 1.330 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.283 9.304 2.563 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.145 5.249 2.989 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.075 5.950 1.752 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.534 6.910 3.178 1.00 0.76 H new ATOM 400 N THR A 26 -7.346 10.038 1.257 1.00 0.20 N ATOM 401 CA THR A 26 -8.477 10.560 2.022 1.00 0.22 C ATOM 402 C THR A 26 -9.803 10.038 1.467 1.00 0.25 C ATOM 403 O THR A 26 -10.693 9.634 2.215 1.00 0.31 O ATOM 404 CB THR A 26 -8.490 12.102 1.999 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.333 12.577 0.652 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.384 12.670 2.874 1.00 0.26 C ATOM 0 H THR A 26 -6.685 10.752 0.949 1.00 0.20 H new ATOM 0 HA THR A 26 -8.361 10.216 3.050 1.00 0.22 H new ATOM 0 HB THR A 26 -9.449 12.438 2.393 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.388 12.530 0.397 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.416 13.759 2.840 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.525 12.335 3.902 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.417 12.324 2.509 1.00 0.26 H new ATOM 414 N GLU A 27 -9.900 10.024 0.150 1.00 0.25 N ATOM 415 CA GLU A 27 -11.108 9.592 -0.533 1.00 0.30 C ATOM 416 C GLU A 27 -11.150 8.074 -0.691 1.00 0.33 C ATOM 417 O GLU A 27 -12.225 7.481 -0.796 1.00 0.43 O ATOM 418 CB GLU A 27 -11.186 10.255 -1.908 1.00 0.38 C ATOM 419 CG GLU A 27 -11.207 11.772 -1.851 1.00 0.55 C ATOM 420 CD GLU A 27 -12.417 12.302 -1.117 1.00 1.43 C ATOM 421 OE1 GLU A 27 -13.501 12.375 -1.734 1.00 1.63 O ATOM 422 OE2 GLU A 27 -12.292 12.647 0.073 1.00 2.28 O ATOM 0 H GLU A 27 -9.147 10.311 -0.475 1.00 0.25 H new ATOM 0 HA GLU A 27 -11.963 9.891 0.073 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.333 9.934 -2.506 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.083 9.907 -2.420 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -10.302 12.127 -1.359 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -11.196 12.172 -2.865 1.00 0.55 H new ATOM 429 N LEU A 28 -9.982 7.448 -0.693 1.00 0.27 N ATOM 430 CA LEU A 28 -9.882 6.030 -1.027 1.00 0.30 C ATOM 431 C LEU A 28 -9.935 5.140 0.213 1.00 0.31 C ATOM 432 O LEU A 28 -10.780 4.252 0.312 1.00 0.35 O ATOM 433 CB LEU A 28 -8.593 5.776 -1.811 1.00 0.30 C ATOM 434 CG LEU A 28 -8.438 6.623 -3.078 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.145 6.285 -3.795 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.630 6.426 -4.002 1.00 0.32 C ATOM 0 H LEU A 28 -9.093 7.895 -0.469 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.743 5.771 -1.642 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.742 5.966 -1.157 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.553 4.722 -2.087 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.401 7.672 -2.785 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.055 6.898 -4.692 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.301 6.482 -3.135 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.149 5.231 -4.075 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.502 7.036 -4.896 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.701 5.376 -4.286 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.543 6.725 -3.487 1.00 0.32 H new ATOM 448 N ILE A 29 -9.043 5.385 1.163 1.00 0.28 N ATOM 449 CA ILE A 29 -8.935 4.537 2.347 1.00 0.30 C ATOM 450 C ILE A 29 -9.543 5.248 3.560 1.00 0.29 C ATOM 451 O ILE A 29 -9.731 4.665 4.630 1.00 0.33 O ATOM 452 CB ILE A 29 -7.460 4.154 2.629 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.788 3.632 1.353 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.371 3.104 3.728 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.420 2.375 0.792 1.00 1.10 C ATOM 0 H ILE A 29 -8.383 6.163 1.139 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.489 3.617 2.159 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.939 5.051 2.964 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -6.820 4.412 0.593 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -5.737 3.435 1.563 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.326 2.852 3.907 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.811 3.498 4.644 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.912 2.209 3.421 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -6.887 2.071 -0.109 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.364 1.578 1.533 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.464 2.571 0.548 1.00 1.10 H new ATOM 467 N GLY A 30 -9.887 6.511 3.363 1.00 0.27 N ATOM 468 CA GLY A 30 -10.544 7.283 4.397 1.00 0.29 C ATOM 469 C GLY A 30 -9.605 7.960 5.383 1.00 0.28 C ATOM 470 O GLY A 30 -10.005 8.923 6.036 1.00 0.32 O ATOM 0 H GLY A 30 -9.721 7.020 2.495 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.162 8.046 3.924 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.216 6.626 4.949 1.00 0.29 H new ATOM 474 N TYR A 31 -8.372 7.480 5.516 1.00 0.28 N ATOM 475 CA TYR A 31 -7.440 8.078 6.463 1.00 0.33 C ATOM 476 C TYR A 31 -6.782 9.314 5.861 1.00 0.34 C ATOM 477 O TYR A 31 -7.072 9.693 4.725 1.00 0.43 O ATOM 478 CB TYR A 31 -6.358 7.084 6.876 1.00 0.38 C ATOM 479 CG TYR A 31 -6.859 5.871 7.623 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.010 5.895 9.002 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.161 4.697 6.951 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.450 4.782 9.691 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.604 3.580 7.630 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.745 3.625 9.000 1.00 0.46 C ATOM 485 OH TYR A 31 -8.188 2.513 9.679 1.00 0.53 O ATOM 0 H TYR A 31 -8.000 6.690 4.988 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.011 8.364 7.346 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.832 6.750 5.982 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.629 7.601 7.500 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -6.780 6.799 9.546 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -7.048 4.656 5.878 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -7.563 4.817 10.765 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.839 2.675 7.090 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.780 1.990 9.099 1.00 0.53 H new ATOM 495 N HIS A 32 -5.888 9.932 6.616 1.00 0.31 N ATOM 496 CA HIS A 32 -5.115 11.058 6.113 1.00 0.34 C ATOM 497 C HIS A 32 -3.751 10.569 5.680 1.00 0.23 C ATOM 498 O HIS A 32 -3.243 9.600 6.239 1.00 0.23 O ATOM 499 CB HIS A 32 -4.930 12.123 7.200 1.00 0.52 C ATOM 500 CG HIS A 32 -5.677 13.394 6.963 1.00 0.68 C ATOM 501 ND1 HIS A 32 -5.108 14.491 6.364 1.00 1.52 N ATOM 502 CD2 HIS A 32 -6.941 13.749 7.272 1.00 1.52 C ATOM 503 CE1 HIS A 32 -5.985 15.469 6.313 1.00 1.90 C ATOM 504 NE2 HIS A 32 -7.111 15.047 6.858 1.00 1.89 N ATOM 0 H HIS A 32 -5.679 9.673 7.580 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.652 11.498 5.273 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.245 11.705 8.156 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -3.868 12.353 7.287 1.00 0.52 H new ATOM 0 HD1 HIS A 32 -4.152 14.540 6.013 1.00 1.52 H new ATOM 0 HD2 HIS A 32 -7.681 13.128 7.755 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -5.814 16.450 5.896 1.00 1.90 H new ATOM 513 N PRO A 33 -3.127 11.219 4.689 1.00 0.24 N ATOM 514 CA PRO A 33 -1.738 10.940 4.345 1.00 0.27 C ATOM 515 C PRO A 33 -0.870 10.961 5.597 1.00 0.25 C ATOM 516 O PRO A 33 -0.061 10.068 5.829 1.00 0.29 O ATOM 517 CB PRO A 33 -1.369 12.089 3.407 1.00 0.34 C ATOM 518 CG PRO A 33 -2.660 12.497 2.784 1.00 0.33 C ATOM 519 CD PRO A 33 -3.719 12.259 3.826 1.00 0.29 C ATOM 0 HA PRO A 33 -1.593 9.960 3.890 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.914 12.915 3.953 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.649 11.770 2.654 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.635 13.545 2.486 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.860 11.915 1.885 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -3.941 13.167 4.387 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.654 11.924 3.378 1.00 0.29 H new ATOM 527 N GLU A 34 -1.131 11.952 6.443 1.00 0.25 N ATOM 528 CA GLU A 34 -0.372 12.161 7.670 1.00 0.30 C ATOM 529 C GLU A 34 -0.715 11.106 8.694 1.00 0.28 C ATOM 530 O GLU A 34 0.030 10.877 9.646 1.00 0.32 O ATOM 531 CB GLU A 34 -0.681 13.534 8.255 1.00 0.37 C ATOM 532 CG GLU A 34 -0.594 14.627 7.224 1.00 1.01 C ATOM 533 CD GLU A 34 -1.952 15.090 6.752 1.00 1.68 C ATOM 534 OE1 GLU A 34 -2.578 14.368 5.951 1.00 2.13 O ATOM 535 OE2 GLU A 34 -2.397 16.174 7.180 1.00 2.14 O ATOM 0 H GLU A 34 -1.876 12.633 6.297 1.00 0.25 H new ATOM 0 HA GLU A 34 0.688 12.096 7.424 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.681 13.525 8.688 1.00 0.37 H new ATOM 0 HB3 GLU A 34 0.016 13.746 9.066 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -0.051 15.474 7.643 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -0.019 14.270 6.370 1.00 1.01 H new ATOM 542 N GLU A 35 -1.838 10.453 8.477 1.00 0.26 N ATOM 543 CA GLU A 35 -2.344 9.503 9.433 1.00 0.29 C ATOM 544 C GLU A 35 -1.652 8.168 9.266 1.00 0.29 C ATOM 545 O GLU A 35 -1.466 7.424 10.230 1.00 0.43 O ATOM 546 CB GLU A 35 -3.854 9.332 9.287 1.00 0.34 C ATOM 547 CG GLU A 35 -4.648 9.911 10.443 1.00 0.61 C ATOM 548 CD GLU A 35 -4.271 11.341 10.770 1.00 1.23 C ATOM 549 OE1 GLU A 35 -3.272 11.541 11.490 1.00 1.71 O ATOM 550 OE2 GLU A 35 -4.964 12.264 10.298 1.00 1.81 O ATOM 0 H GLU A 35 -2.415 10.566 7.644 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.137 9.887 10.432 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.177 9.808 8.361 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.083 8.270 9.196 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -5.710 9.868 10.203 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -4.496 9.291 11.326 1.00 0.61 H new ATOM 557 N LEU A 36 -1.278 7.859 8.033 1.00 0.27 N ATOM 558 CA LEU A 36 -0.575 6.621 7.764 1.00 0.29 C ATOM 559 C LEU A 36 0.929 6.802 7.946 1.00 0.32 C ATOM 560 O LEU A 36 1.652 5.839 8.200 1.00 0.46 O ATOM 561 CB LEU A 36 -0.873 6.079 6.366 1.00 0.29 C ATOM 562 CG LEU A 36 -2.281 5.515 6.170 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.266 6.623 5.868 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.292 4.470 5.067 1.00 0.29 C ATOM 0 H LEU A 36 -1.449 8.443 7.214 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.937 5.889 8.486 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.716 6.879 5.643 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.151 5.296 6.136 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.587 5.033 7.099 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.261 6.199 5.732 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.283 7.330 6.697 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -2.965 7.139 4.957 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.303 4.082 4.944 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -1.961 4.924 4.133 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.620 3.654 5.332 1.00 0.29 H new ATOM 576 N LEU A 37 1.384 8.046 7.791 1.00 0.41 N ATOM 577 CA LEU A 37 2.807 8.374 7.848 1.00 0.48 C ATOM 578 C LEU A 37 3.454 7.969 9.170 1.00 0.60 C ATOM 579 O LEU A 37 3.459 8.729 10.143 1.00 1.27 O ATOM 580 CB LEU A 37 3.044 9.863 7.593 1.00 0.76 C ATOM 581 CG LEU A 37 2.738 10.347 6.175 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.581 11.561 5.839 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.968 9.247 5.156 1.00 0.94 C ATOM 0 H LEU A 37 0.779 8.850 7.623 1.00 0.41 H new ATOM 0 HA LEU A 37 3.281 7.794 7.056 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.434 10.435 8.292 1.00 0.76 H new ATOM 0 HB3 LEU A 37 4.086 10.091 7.819 1.00 0.76 H new ATOM 0 HG LEU A 37 1.685 10.626 6.136 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.352 11.894 4.827 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.361 12.363 6.543 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.637 11.300 5.905 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.742 9.622 4.158 1.00 0.94 H new ATOM 0 HD22 LEU A 37 4.009 8.926 5.196 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.319 8.401 5.381 1.00 0.94 H new ATOM 595 N GLY A 38 3.963 6.749 9.198 1.00 0.31 N ATOM 596 CA GLY A 38 4.743 6.290 10.321 1.00 0.44 C ATOM 597 C GLY A 38 3.984 5.324 11.200 1.00 0.42 C ATOM 598 O GLY A 38 4.222 5.267 12.406 1.00 0.54 O ATOM 0 H GLY A 38 3.847 6.063 8.453 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.650 5.808 9.956 1.00 0.44 H new ATOM 0 HA3 GLY A 38 5.056 7.148 10.916 1.00 0.44 H new ATOM 602 N ARG A 39 3.081 4.547 10.608 1.00 0.34 N ATOM 603 CA ARG A 39 2.294 3.598 11.387 1.00 0.37 C ATOM 604 C ARG A 39 2.335 2.206 10.776 1.00 0.35 C ATOM 605 O ARG A 39 2.251 2.058 9.559 1.00 0.48 O ATOM 606 CB ARG A 39 0.839 4.044 11.479 1.00 0.48 C ATOM 607 CG ARG A 39 0.150 4.101 10.128 1.00 0.48 C ATOM 608 CD ARG A 39 -1.355 3.926 10.245 1.00 0.69 C ATOM 609 NE ARG A 39 -1.912 4.500 11.468 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.344 3.757 12.488 1.00 1.72 C ATOM 611 NH1 ARG A 39 -2.164 2.439 12.461 1.00 1.80 N ATOM 612 NH2 ARG A 39 -2.935 4.327 13.528 1.00 2.61 N ATOM 0 H ARG A 39 2.879 4.555 9.608 1.00 0.34 H new ATOM 0 HA ARG A 39 2.735 3.566 12.383 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.295 3.359 12.129 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.795 5.028 11.945 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.367 5.057 9.651 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.556 3.323 9.482 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.835 4.389 9.383 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.594 2.863 10.210 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.973 5.515 11.545 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -1.699 2.004 11.664 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -2.491 1.864 13.237 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -3.062 5.339 13.551 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.263 3.754 14.305 1.00 2.61 H new ATOM 626 N SER A 40 2.538 1.211 11.633 1.00 0.37 N ATOM 627 CA SER A 40 2.352 -0.195 11.290 1.00 0.43 C ATOM 628 C SER A 40 1.148 -0.414 10.373 1.00 0.39 C ATOM 629 O SER A 40 -0.002 -0.425 10.820 1.00 0.43 O ATOM 630 CB SER A 40 2.157 -0.989 12.580 1.00 0.57 C ATOM 631 OG SER A 40 3.125 -0.624 13.554 1.00 1.23 O ATOM 0 H SER A 40 2.840 1.359 12.596 1.00 0.37 H new ATOM 0 HA SER A 40 3.237 -0.533 10.751 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.156 -0.811 12.973 1.00 0.57 H new ATOM 0 HB3 SER A 40 2.232 -2.056 12.369 1.00 0.57 H new ATOM 0 HG SER A 40 2.979 -1.144 14.372 1.00 1.23 H new ATOM 637 N ALA A 41 1.432 -0.538 9.080 1.00 0.35 N ATOM 638 CA ALA A 41 0.413 -0.854 8.089 1.00 0.34 C ATOM 639 C ALA A 41 -0.356 -2.098 8.467 1.00 0.33 C ATOM 640 O ALA A 41 -1.579 -2.112 8.408 1.00 0.33 O ATOM 641 CB ALA A 41 1.037 -1.063 6.721 1.00 0.35 C ATOM 0 H ALA A 41 2.369 -0.423 8.693 1.00 0.35 H new ATOM 0 HA ALA A 41 -0.272 -0.007 8.055 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.257 -1.298 5.997 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.555 -0.154 6.414 1.00 0.35 H new ATOM 0 HB3 ALA A 41 1.749 -1.887 6.768 1.00 0.35 H new ATOM 647 N TYR A 42 0.383 -3.124 8.878 1.00 0.37 N ATOM 648 CA TYR A 42 -0.150 -4.475 9.059 1.00 0.42 C ATOM 649 C TYR A 42 -1.371 -4.565 9.984 1.00 0.47 C ATOM 650 O TYR A 42 -1.995 -5.621 10.059 1.00 0.55 O ATOM 651 CB TYR A 42 0.957 -5.413 9.532 1.00 0.47 C ATOM 652 CG TYR A 42 2.007 -5.658 8.469 1.00 0.54 C ATOM 653 CD1 TYR A 42 1.761 -6.503 7.395 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.252 -5.045 8.549 1.00 0.67 C ATOM 655 CE1 TYR A 42 2.726 -6.731 6.431 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.220 -5.268 7.589 1.00 0.84 C ATOM 657 CZ TYR A 42 3.918 -6.104 6.498 1.00 0.91 C ATOM 658 OH TYR A 42 4.915 -6.331 5.576 1.00 1.14 O ATOM 0 H TYR A 42 1.376 -3.043 9.097 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.515 -4.785 8.080 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.433 -4.990 10.417 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.518 -6.365 9.830 1.00 0.47 H new ATOM 0 HD1 TYR A 42 0.801 -6.990 7.311 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.466 -4.383 9.375 1.00 0.67 H new ATOM 0 HE1 TYR A 42 2.524 -7.415 5.620 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.193 -4.808 7.674 1.00 0.84 H new ATOM 0 HH TYR A 42 5.696 -5.782 5.797 1.00 1.14 H new ATOM 668 N GLU A 43 -1.714 -3.493 10.692 1.00 0.48 N ATOM 669 CA GLU A 43 -2.973 -3.474 11.431 1.00 0.56 C ATOM 670 C GLU A 43 -4.145 -3.515 10.448 1.00 0.57 C ATOM 671 O GLU A 43 -4.918 -4.471 10.411 1.00 1.01 O ATOM 672 CB GLU A 43 -3.100 -2.214 12.290 1.00 0.65 C ATOM 673 CG GLU A 43 -1.974 -2.005 13.287 1.00 0.95 C ATOM 674 CD GLU A 43 -2.295 -0.899 14.275 1.00 1.72 C ATOM 675 OE1 GLU A 43 -2.642 0.217 13.836 1.00 2.57 O ATOM 676 OE2 GLU A 43 -2.221 -1.145 15.498 1.00 1.89 O ATOM 0 H GLU A 43 -1.153 -2.644 10.770 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.988 -4.346 12.085 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -3.149 -1.346 11.632 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -4.044 -2.256 12.833 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -1.790 -2.933 13.828 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -1.056 -1.760 12.753 1.00 0.95 H new ATOM 683 N PHE A 44 -4.259 -2.451 9.663 1.00 0.40 N ATOM 684 CA PHE A 44 -5.334 -2.302 8.687 1.00 0.38 C ATOM 685 C PHE A 44 -4.984 -2.953 7.351 1.00 0.30 C ATOM 686 O PHE A 44 -5.848 -3.122 6.491 1.00 0.40 O ATOM 687 CB PHE A 44 -5.645 -0.815 8.480 1.00 0.48 C ATOM 688 CG PHE A 44 -4.455 0.013 8.074 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.598 0.531 9.031 1.00 0.50 C ATOM 690 CD2 PHE A 44 -4.194 0.271 6.738 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.506 1.290 8.664 1.00 0.56 C ATOM 692 CE2 PHE A 44 -3.102 1.031 6.366 1.00 0.77 C ATOM 693 CZ PHE A 44 -2.257 1.541 7.331 1.00 0.70 C ATOM 0 H PHE A 44 -3.609 -1.666 9.684 1.00 0.40 H new ATOM 0 HA PHE A 44 -6.214 -2.811 9.081 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.417 -0.720 7.717 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -6.058 -0.409 9.404 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.787 0.338 10.077 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.852 -0.126 5.979 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.846 1.688 9.421 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -2.910 1.226 5.321 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.403 2.135 7.043 1.00 0.70 H new ATOM 703 N TYR A 45 -3.708 -3.267 7.163 1.00 0.29 N ATOM 704 CA TYR A 45 -3.190 -3.798 5.903 1.00 0.28 C ATOM 705 C TYR A 45 -3.753 -5.169 5.551 1.00 0.30 C ATOM 706 O TYR A 45 -3.047 -6.169 5.621 1.00 0.37 O ATOM 707 CB TYR A 45 -1.669 -3.898 5.976 1.00 0.34 C ATOM 708 CG TYR A 45 -0.946 -3.316 4.784 1.00 0.42 C ATOM 709 CD1 TYR A 45 -1.388 -2.144 4.185 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.157 -3.955 4.237 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.745 -1.622 3.079 1.00 0.61 C ATOM 712 CE2 TYR A 45 0.802 -3.442 3.131 1.00 0.68 C ATOM 713 CZ TYR A 45 0.419 -2.214 2.626 1.00 0.68 C ATOM 714 OH TYR A 45 0.984 -1.768 1.443 1.00 0.85 O ATOM 0 H TYR A 45 -2.996 -3.160 7.885 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.504 -3.105 5.122 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -1.327 -3.389 6.877 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.391 -4.947 6.077 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -2.248 -1.632 4.590 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.517 -4.870 4.685 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -1.149 -0.758 2.572 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.602 -3.997 2.662 1.00 0.68 H new ATOM 0 HH TYR A 45 1.799 -2.280 1.256 1.00 0.85 H new ATOM 724 N HIS A 46 -5.021 -5.186 5.163 1.00 0.28 N ATOM 725 CA HIS A 46 -5.670 -6.369 4.586 1.00 0.31 C ATOM 726 C HIS A 46 -5.831 -7.472 5.632 1.00 0.37 C ATOM 727 O HIS A 46 -4.853 -8.081 6.043 1.00 0.57 O ATOM 728 CB HIS A 46 -4.866 -6.916 3.393 1.00 0.37 C ATOM 729 CG HIS A 46 -4.125 -5.870 2.621 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.784 -5.971 2.334 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.521 -4.670 2.142 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.387 -4.877 1.722 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.419 -4.072 1.592 1.00 0.43 N ATOM 0 H HIS A 46 -5.638 -4.377 5.238 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.656 -6.058 4.239 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -4.153 -7.655 3.758 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.546 -7.436 2.718 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.519 -4.260 2.185 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.382 -4.674 1.383 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.401 -3.152 1.153 1.00 0.43 H new ATOM 742 N ALA A 47 -7.057 -7.747 6.049 1.00 0.39 N ATOM 743 CA ALA A 47 -7.285 -8.744 7.095 1.00 0.44 C ATOM 744 C ALA A 47 -6.740 -10.117 6.698 1.00 0.44 C ATOM 745 O ALA A 47 -5.845 -10.653 7.351 1.00 0.48 O ATOM 746 CB ALA A 47 -8.766 -8.839 7.412 1.00 0.57 C ATOM 0 H ALA A 47 -7.902 -7.304 5.688 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.746 -8.420 7.985 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.924 -9.584 8.192 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -9.127 -7.870 7.757 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -9.312 -9.131 6.515 1.00 0.57 H new ATOM 752 N LEU A 48 -7.274 -10.676 5.624 1.00 0.48 N ATOM 753 CA LEU A 48 -6.814 -11.968 5.123 1.00 0.53 C ATOM 754 C LEU A 48 -5.752 -11.815 4.040 1.00 0.48 C ATOM 755 O LEU A 48 -5.013 -12.753 3.751 1.00 0.52 O ATOM 756 CB LEU A 48 -7.983 -12.805 4.591 1.00 0.67 C ATOM 757 CG LEU A 48 -8.839 -12.143 3.505 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.505 -13.202 2.642 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.898 -11.245 4.129 1.00 0.99 C ATOM 0 H LEU A 48 -8.028 -10.257 5.079 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.363 -12.488 5.968 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.585 -13.739 4.194 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.630 -13.065 5.429 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.187 -11.532 2.881 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.110 -12.719 1.875 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -8.741 -13.818 2.167 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.142 -13.830 3.264 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.495 -10.785 3.341 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.545 -11.839 4.774 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.414 -10.467 4.719 1.00 0.99 H new ATOM 771 N ASP A 49 -5.654 -10.628 3.460 1.00 0.45 N ATOM 772 CA ASP A 49 -4.782 -10.425 2.307 1.00 0.45 C ATOM 773 C ASP A 49 -3.439 -9.846 2.745 1.00 0.41 C ATOM 774 O ASP A 49 -2.581 -9.539 1.914 1.00 0.49 O ATOM 775 CB ASP A 49 -5.428 -9.469 1.302 1.00 0.55 C ATOM 776 CG ASP A 49 -6.758 -9.956 0.771 1.00 0.91 C ATOM 777 OD1 ASP A 49 -7.758 -9.853 1.505 1.00 1.64 O ATOM 778 OD2 ASP A 49 -6.811 -10.403 -0.394 1.00 1.07 O ATOM 0 H ASP A 49 -6.161 -9.797 3.763 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.625 -11.395 1.836 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -5.569 -8.498 1.776 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -4.745 -9.319 0.466 1.00 0.55 H new ATOM 783 N SER A 50 -3.276 -9.657 4.051 1.00 0.36 N ATOM 784 CA SER A 50 -2.018 -9.160 4.606 1.00 0.35 C ATOM 785 C SER A 50 -0.862 -10.055 4.195 1.00 0.35 C ATOM 786 O SER A 50 0.143 -9.575 3.676 1.00 0.41 O ATOM 787 CB SER A 50 -2.095 -9.086 6.132 1.00 0.37 C ATOM 788 OG SER A 50 -0.939 -8.483 6.684 1.00 1.25 O ATOM 0 H SER A 50 -3.999 -9.840 4.747 1.00 0.36 H new ATOM 0 HA SER A 50 -1.848 -8.158 4.211 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.978 -8.518 6.425 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.212 -10.090 6.540 1.00 0.37 H new ATOM 0 HG SER A 50 -1.022 -8.450 7.660 1.00 1.25 H new ATOM 794 N GLU A 51 -1.030 -11.360 4.401 1.00 0.38 N ATOM 795 CA GLU A 51 0.003 -12.330 4.078 1.00 0.45 C ATOM 796 C GLU A 51 0.445 -12.179 2.631 1.00 0.43 C ATOM 797 O GLU A 51 1.633 -12.214 2.331 1.00 0.47 O ATOM 798 CB GLU A 51 -0.501 -13.752 4.309 1.00 0.55 C ATOM 799 CG GLU A 51 0.568 -14.803 4.088 1.00 1.32 C ATOM 800 CD GLU A 51 -0.004 -16.181 3.867 1.00 1.99 C ATOM 801 OE1 GLU A 51 -0.461 -16.467 2.744 1.00 2.49 O ATOM 802 OE2 GLU A 51 -0.014 -16.977 4.829 1.00 2.68 O ATOM 0 H GLU A 51 -1.879 -11.767 4.793 1.00 0.38 H new ATOM 0 HA GLU A 51 0.854 -12.143 4.733 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -0.880 -13.836 5.327 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -1.339 -13.948 3.640 1.00 0.55 H new ATOM 0 HG2 GLU A 51 1.173 -14.523 3.226 1.00 1.32 H new ATOM 0 HG3 GLU A 51 1.233 -14.825 4.951 1.00 1.32 H new ATOM 809 N ASN A 52 -0.522 -11.998 1.744 1.00 0.43 N ATOM 810 CA ASN A 52 -0.243 -11.840 0.324 1.00 0.48 C ATOM 811 C ASN A 52 0.689 -10.659 0.091 1.00 0.41 C ATOM 812 O ASN A 52 1.643 -10.751 -0.680 1.00 0.44 O ATOM 813 CB ASN A 52 -1.546 -11.658 -0.454 1.00 0.56 C ATOM 814 CG ASN A 52 -2.455 -12.863 -0.327 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.253 -12.957 0.604 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.327 -13.802 -1.249 1.00 1.31 N ATOM 0 H ASN A 52 -1.512 -11.957 1.984 1.00 0.43 H new ATOM 0 HA ASN A 52 0.252 -12.742 -0.035 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -2.065 -10.772 -0.089 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.319 -11.484 -1.506 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.902 -14.643 -1.204 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -1.653 -13.685 -2.005 1.00 1.31 H new ATOM 823 N MET A 53 0.425 -9.563 0.786 1.00 0.35 N ATOM 824 CA MET A 53 1.281 -8.388 0.699 1.00 0.35 C ATOM 825 C MET A 53 2.623 -8.665 1.375 1.00 0.34 C ATOM 826 O MET A 53 3.659 -8.155 0.953 1.00 0.35 O ATOM 827 CB MET A 53 0.599 -7.173 1.328 1.00 0.42 C ATOM 828 CG MET A 53 0.697 -5.918 0.477 1.00 0.96 C ATOM 829 SD MET A 53 2.387 -5.328 0.270 1.00 1.28 S ATOM 830 CE MET A 53 2.133 -4.021 -0.924 1.00 0.79 C ATOM 0 H MET A 53 -0.372 -9.462 1.415 1.00 0.35 H new ATOM 0 HA MET A 53 1.460 -8.165 -0.353 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.452 -7.405 1.501 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.047 -6.978 2.302 1.00 0.42 H new ATOM 0 HG2 MET A 53 0.267 -6.118 -0.504 1.00 0.96 H new ATOM 0 HG3 MET A 53 0.098 -5.130 0.933 1.00 0.96 H new ATOM 0 HE1 MET A 53 3.059 -3.461 -1.053 1.00 0.79 H new ATOM 0 HE2 MET A 53 1.834 -4.454 -1.879 1.00 0.79 H new ATOM 0 HE3 MET A 53 1.350 -3.351 -0.569 1.00 0.79 H new ATOM 840 N THR A 54 2.599 -9.483 2.419 1.00 0.37 N ATOM 841 CA THR A 54 3.825 -9.932 3.065 1.00 0.45 C ATOM 842 C THR A 54 4.715 -10.706 2.080 1.00 0.45 C ATOM 843 O THR A 54 5.934 -10.514 2.052 1.00 0.48 O ATOM 844 CB THR A 54 3.520 -10.804 4.304 1.00 0.55 C ATOM 845 OG1 THR A 54 2.674 -10.082 5.208 1.00 0.57 O ATOM 846 CG2 THR A 54 4.802 -11.203 5.021 1.00 0.72 C ATOM 0 H THR A 54 1.744 -9.849 2.837 1.00 0.37 H new ATOM 0 HA THR A 54 4.363 -9.043 3.396 1.00 0.45 H new ATOM 0 HB THR A 54 3.015 -11.709 3.967 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.805 -9.922 4.785 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.558 -11.816 5.889 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.437 -11.772 4.342 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.331 -10.307 5.347 1.00 0.72 H new ATOM 854 N LYS A 55 4.107 -11.565 1.253 1.00 0.46 N ATOM 855 CA LYS A 55 4.858 -12.261 0.208 1.00 0.52 C ATOM 856 C LYS A 55 5.315 -11.265 -0.848 1.00 0.41 C ATOM 857 O LYS A 55 6.378 -11.418 -1.441 1.00 0.42 O ATOM 858 CB LYS A 55 4.042 -13.379 -0.465 1.00 0.67 C ATOM 859 CG LYS A 55 3.990 -14.688 0.316 1.00 0.95 C ATOM 860 CD LYS A 55 2.837 -14.712 1.301 1.00 1.14 C ATOM 861 CE LYS A 55 1.500 -14.866 0.590 1.00 1.37 C ATOM 862 NZ LYS A 55 1.171 -16.290 0.309 1.00 1.49 N ATOM 0 H LYS A 55 3.113 -11.791 1.287 1.00 0.46 H new ATOM 0 HA LYS A 55 5.717 -12.728 0.690 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.023 -13.024 -0.620 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.465 -13.576 -1.450 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.892 -15.522 -0.379 1.00 0.95 H new ATOM 0 HG3 LYS A 55 4.929 -14.829 0.852 1.00 0.95 H new ATOM 0 HD2 LYS A 55 2.974 -15.534 2.003 1.00 1.14 H new ATOM 0 HD3 LYS A 55 2.836 -13.791 1.885 1.00 1.14 H new ATOM 0 HE2 LYS A 55 0.712 -14.427 1.203 1.00 1.37 H new ATOM 0 HE3 LYS A 55 1.523 -14.309 -0.347 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 0.695 -16.361 -0.613 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 2.046 -16.851 0.291 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 0.542 -16.654 1.053 1.00 1.49 H new ATOM 876 N SER A 56 4.509 -10.240 -1.075 1.00 0.36 N ATOM 877 CA SER A 56 4.880 -9.177 -1.989 1.00 0.34 C ATOM 878 C SER A 56 6.091 -8.412 -1.448 1.00 0.28 C ATOM 879 O SER A 56 6.987 -8.037 -2.201 1.00 0.28 O ATOM 880 CB SER A 56 3.694 -8.238 -2.204 1.00 0.39 C ATOM 881 OG SER A 56 2.573 -8.949 -2.709 1.00 1.26 O ATOM 0 H SER A 56 3.595 -10.124 -0.638 1.00 0.36 H new ATOM 0 HA SER A 56 5.155 -9.612 -2.950 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.431 -7.756 -1.262 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.972 -7.447 -2.900 1.00 0.39 H new ATOM 0 HG SER A 56 2.245 -9.571 -2.026 1.00 1.26 H new ATOM 887 N HIS A 57 6.121 -8.209 -0.134 1.00 0.29 N ATOM 888 CA HIS A 57 7.247 -7.552 0.524 1.00 0.30 C ATOM 889 C HIS A 57 8.506 -8.413 0.415 1.00 0.31 C ATOM 890 O HIS A 57 9.580 -7.907 0.094 1.00 0.34 O ATOM 891 CB HIS A 57 6.915 -7.266 2.000 1.00 0.35 C ATOM 892 CG HIS A 57 8.001 -6.544 2.757 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.927 -5.642 2.344 1.00 0.53 N flip ATOM 894 CD2 HIS A 57 8.215 -6.705 4.109 1.00 0.34 C flip ATOM 895 CE1 HIS A 57 9.676 -5.286 3.439 1.00 0.51 C flip ATOM 896 NE2 HIS A 57 9.223 -5.942 4.489 1.00 0.39 N flip ATOM 0 H HIS A 57 5.374 -8.492 0.500 1.00 0.29 H new ATOM 0 HA HIS A 57 7.435 -6.602 0.023 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.002 -6.672 2.045 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.706 -8.211 2.502 1.00 0.35 H new ATOM 0 HD2 HIS A 57 7.646 -7.355 4.757 1.00 0.34 H new ATOM 0 HE1 HIS A 57 10.498 -4.586 3.440 1.00 0.51 H new ATOM 0 HE2 HIS A 57 9.591 -5.872 5.438 1.00 0.39 H new ATOM 905 N GLN A 58 8.359 -9.715 0.657 1.00 0.32 N ATOM 906 CA GLN A 58 9.495 -10.638 0.608 1.00 0.37 C ATOM 907 C GLN A 58 9.993 -10.797 -0.829 1.00 0.33 C ATOM 908 O GLN A 58 11.149 -11.141 -1.067 1.00 0.37 O ATOM 909 CB GLN A 58 9.131 -12.009 1.203 1.00 0.46 C ATOM 910 CG GLN A 58 8.328 -12.905 0.276 1.00 1.24 C ATOM 911 CD GLN A 58 8.065 -14.278 0.862 1.00 1.77 C ATOM 912 OE1 GLN A 58 7.943 -14.354 2.176 1.00 2.36 O flip ATOM 913 NE2 GLN A 58 7.967 -15.262 0.133 1.00 2.26 N flip ATOM 0 H GLN A 58 7.468 -10.155 0.888 1.00 0.32 H new ATOM 0 HA GLN A 58 10.295 -10.213 1.213 1.00 0.37 H new ATOM 0 HB2 GLN A 58 10.050 -12.526 1.481 1.00 0.46 H new ATOM 0 HB3 GLN A 58 8.562 -11.854 2.120 1.00 0.46 H new ATOM 0 HG2 GLN A 58 7.376 -12.424 0.049 1.00 1.24 H new ATOM 0 HG3 GLN A 58 8.863 -13.015 -0.668 1.00 1.24 H new ATOM 0 HE21 GLN A 58 8.068 -15.161 -0.877 1.00 2.26 H new ATOM 0 HE22 GLN A 58 7.785 -16.180 0.538 1.00 2.26 H new ATOM 922 N ASN A 59 9.101 -10.546 -1.779 1.00 0.28 N ATOM 923 CA ASN A 59 9.434 -10.647 -3.194 1.00 0.28 C ATOM 924 C ASN A 59 10.124 -9.372 -3.655 1.00 0.29 C ATOM 925 O ASN A 59 11.251 -9.390 -4.141 1.00 0.34 O ATOM 926 CB ASN A 59 8.169 -10.854 -4.023 1.00 0.30 C ATOM 927 CG ASN A 59 8.456 -11.024 -5.505 1.00 0.38 C ATOM 928 OD1 ASN A 59 9.468 -11.607 -5.896 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.566 -10.508 -6.339 1.00 0.83 N ATOM 0 H ASN A 59 8.137 -10.270 -1.594 1.00 0.28 H new ATOM 0 HA ASN A 59 10.100 -11.499 -3.332 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.641 -11.734 -3.657 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.504 -10.002 -3.882 1.00 0.30 H new ATOM 0 HD21 ASN A 59 7.706 -10.586 -7.346 1.00 0.83 H new ATOM 0 HD22 ASN A 59 6.741 -10.033 -5.974 1.00 0.83 H new ATOM 936 N LEU A 60 9.443 -8.258 -3.433 1.00 0.27 N ATOM 937 CA LEU A 60 9.876 -6.956 -3.923 1.00 0.28 C ATOM 938 C LEU A 60 11.217 -6.543 -3.320 1.00 0.34 C ATOM 939 O LEU A 60 12.002 -5.842 -3.964 1.00 0.43 O ATOM 940 CB LEU A 60 8.798 -5.921 -3.587 1.00 0.25 C ATOM 941 CG LEU A 60 9.146 -4.465 -3.878 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.381 -4.249 -5.362 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.047 -3.546 -3.370 1.00 0.33 C ATOM 0 H LEU A 60 8.570 -8.230 -2.906 1.00 0.27 H new ATOM 0 HA LEU A 60 10.016 -7.016 -5.002 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.895 -6.175 -4.142 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.556 -6.010 -2.528 1.00 0.25 H new ATOM 0 HG LEU A 60 10.070 -4.224 -3.353 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.627 -3.203 -5.543 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.206 -4.879 -5.695 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.479 -4.510 -5.915 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.310 -2.510 -3.585 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.108 -3.792 -3.866 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.933 -3.675 -2.294 1.00 0.33 H new ATOM 955 N CYS A 61 11.484 -7.016 -2.104 1.00 0.36 N ATOM 956 CA CYS A 61 12.667 -6.614 -1.347 1.00 0.48 C ATOM 957 C CYS A 61 13.965 -6.904 -2.100 1.00 0.58 C ATOM 958 O CYS A 61 14.974 -6.234 -1.877 1.00 0.92 O ATOM 959 CB CYS A 61 12.693 -7.317 0.013 1.00 0.54 C ATOM 960 SG CYS A 61 14.084 -6.839 1.065 1.00 1.20 S ATOM 0 H CYS A 61 10.889 -7.686 -1.618 1.00 0.36 H new ATOM 0 HA CYS A 61 12.601 -5.535 -1.204 1.00 0.48 H new ATOM 0 HB2 CYS A 61 11.763 -7.102 0.539 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.726 -8.395 -0.148 1.00 0.54 H new ATOM 0 HG CYS A 61 15.060 -6.406 0.324 1.00 1.20 H new ATOM 966 N THR A 62 13.943 -7.854 -3.028 1.00 0.54 N ATOM 967 CA THR A 62 15.164 -8.270 -3.699 1.00 0.76 C ATOM 968 C THR A 62 14.878 -8.572 -5.162 1.00 0.60 C ATOM 969 O THR A 62 15.601 -9.314 -5.826 1.00 0.82 O ATOM 970 CB THR A 62 15.778 -9.510 -3.007 1.00 1.11 C ATOM 971 OG1 THR A 62 15.649 -9.389 -1.582 1.00 1.27 O ATOM 972 CG2 THR A 62 17.252 -9.664 -3.358 1.00 1.45 C ATOM 0 H THR A 62 13.101 -8.345 -3.329 1.00 0.54 H new ATOM 0 HA THR A 62 15.885 -7.454 -3.638 1.00 0.76 H new ATOM 0 HB THR A 62 15.239 -10.389 -3.360 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.038 -10.178 -1.150 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.655 -10.544 -2.857 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.359 -9.780 -4.437 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.798 -8.779 -3.032 1.00 1.45 H new ATOM 980 N LYS A 63 13.831 -7.946 -5.669 1.00 0.50 N ATOM 981 CA LYS A 63 13.513 -8.028 -7.080 1.00 0.43 C ATOM 982 C LYS A 63 13.598 -6.654 -7.724 1.00 0.39 C ATOM 983 O LYS A 63 13.889 -6.532 -8.914 1.00 0.39 O ATOM 984 CB LYS A 63 12.116 -8.592 -7.283 1.00 0.45 C ATOM 985 CG LYS A 63 11.988 -10.071 -6.969 1.00 0.54 C ATOM 986 CD LYS A 63 12.805 -10.921 -7.922 1.00 0.68 C ATOM 987 CE LYS A 63 12.627 -12.399 -7.628 1.00 0.85 C ATOM 988 NZ LYS A 63 11.202 -12.816 -7.735 1.00 1.76 N ATOM 0 H LYS A 63 13.187 -7.375 -5.122 1.00 0.50 H new ATOM 0 HA LYS A 63 14.238 -8.693 -7.550 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.418 -8.038 -6.655 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.816 -8.425 -8.318 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.315 -10.255 -5.946 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.940 -10.366 -7.026 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.504 -10.713 -8.949 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.859 -10.655 -7.839 1.00 0.68 H new ATOM 0 HE2 LYS A 63 13.230 -12.983 -8.323 1.00 0.85 H new ATOM 0 HE3 LYS A 63 12.995 -12.617 -6.626 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 11.143 -13.854 -7.730 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 10.667 -12.435 -6.929 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 10.799 -12.451 -8.621 1.00 1.76 H new ATOM 1002 N GLY A 64 13.349 -5.619 -6.929 1.00 0.40 N ATOM 1003 CA GLY A 64 13.357 -4.267 -7.449 1.00 0.42 C ATOM 1004 C GLY A 64 12.005 -3.848 -7.995 1.00 0.37 C ATOM 1005 O GLY A 64 11.744 -2.659 -8.175 1.00 0.41 O ATOM 0 H GLY A 64 13.142 -5.694 -5.933 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.655 -3.579 -6.658 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.104 -4.189 -8.239 1.00 0.42 H new ATOM 1009 N GLN A 65 11.123 -4.820 -8.204 1.00 0.34 N ATOM 1010 CA GLN A 65 9.827 -4.563 -8.816 1.00 0.33 C ATOM 1011 C GLN A 65 8.842 -5.655 -8.417 1.00 0.34 C ATOM 1012 O GLN A 65 9.237 -6.794 -8.163 1.00 0.43 O ATOM 1013 CB GLN A 65 9.950 -4.508 -10.341 1.00 0.41 C ATOM 1014 CG GLN A 65 8.714 -3.951 -11.029 1.00 0.49 C ATOM 1015 CD GLN A 65 8.786 -4.059 -12.536 1.00 0.81 C ATOM 1016 OE1 GLN A 65 9.868 -4.065 -13.122 1.00 1.37 O ATOM 1017 NE2 GLN A 65 7.631 -4.121 -13.177 1.00 1.32 N ATOM 0 H GLN A 65 11.284 -5.796 -7.957 1.00 0.34 H new ATOM 0 HA GLN A 65 9.462 -3.598 -8.463 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.811 -3.895 -10.606 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.145 -5.512 -10.718 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.833 -4.485 -10.672 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.588 -2.905 -10.749 1.00 0.49 H new ATOM 0 HE21 GLN A 65 6.756 -4.113 -12.653 1.00 1.32 H new ATOM 0 HE22 GLN A 65 7.615 -4.176 -14.195 1.00 1.32 H new ATOM 1026 N VAL A 66 7.570 -5.301 -8.332 1.00 0.32 N ATOM 1027 CA VAL A 66 6.534 -6.256 -7.977 1.00 0.35 C ATOM 1028 C VAL A 66 5.179 -5.786 -8.503 1.00 0.33 C ATOM 1029 O VAL A 66 4.934 -4.587 -8.615 1.00 0.32 O ATOM 1030 CB VAL A 66 6.463 -6.453 -6.441 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.046 -5.173 -5.745 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.513 -7.571 -6.068 1.00 0.44 C ATOM 0 H VAL A 66 7.230 -4.355 -8.505 1.00 0.32 H new ATOM 0 HA VAL A 66 6.785 -7.212 -8.436 1.00 0.35 H new ATOM 0 HB VAL A 66 7.464 -6.725 -6.108 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.005 -5.341 -4.669 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.770 -4.388 -5.962 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.063 -4.868 -6.103 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.488 -7.681 -4.984 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.513 -7.335 -6.432 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.853 -8.503 -6.520 1.00 0.44 H new ATOM 1042 N VAL A 67 4.315 -6.723 -8.851 1.00 0.39 N ATOM 1043 CA VAL A 67 2.959 -6.404 -9.223 1.00 0.45 C ATOM 1044 C VAL A 67 1.990 -7.173 -8.339 1.00 0.49 C ATOM 1045 O VAL A 67 1.681 -8.336 -8.601 1.00 0.92 O ATOM 1046 CB VAL A 67 2.677 -6.723 -10.700 1.00 0.58 C ATOM 1047 CG1 VAL A 67 2.859 -5.484 -11.561 1.00 0.91 C ATOM 1048 CG2 VAL A 67 3.575 -7.845 -11.195 1.00 1.16 C ATOM 0 H VAL A 67 4.537 -7.718 -8.882 1.00 0.39 H new ATOM 0 HA VAL A 67 2.822 -5.332 -9.084 1.00 0.45 H new ATOM 0 HB VAL A 67 1.641 -7.053 -10.780 1.00 0.58 H new ATOM 0 HG11 VAL A 67 2.655 -5.732 -12.603 1.00 0.91 H new ATOM 0 HG12 VAL A 67 2.170 -4.707 -11.231 1.00 0.91 H new ATOM 0 HG13 VAL A 67 3.883 -5.124 -11.468 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.356 -8.051 -12.243 1.00 1.16 H new ATOM 0 HG22 VAL A 67 4.619 -7.547 -11.095 1.00 1.16 H new ATOM 0 HG23 VAL A 67 3.396 -8.743 -10.603 1.00 1.16 H new ATOM 1058 N SER A 68 1.542 -6.533 -7.274 1.00 0.52 N ATOM 1059 CA SER A 68 0.644 -7.165 -6.333 1.00 0.54 C ATOM 1060 C SER A 68 -0.751 -7.244 -6.937 1.00 0.53 C ATOM 1061 O SER A 68 -1.147 -6.370 -7.709 1.00 0.94 O ATOM 1062 CB SER A 68 0.624 -6.378 -5.016 1.00 0.58 C ATOM 1063 OG SER A 68 -0.181 -7.011 -4.038 1.00 1.39 O ATOM 0 H SER A 68 1.789 -5.571 -7.041 1.00 0.52 H new ATOM 0 HA SER A 68 0.991 -8.176 -6.120 1.00 0.54 H new ATOM 0 HB2 SER A 68 1.641 -6.275 -4.638 1.00 0.58 H new ATOM 0 HB3 SER A 68 0.249 -5.371 -5.200 1.00 0.58 H new ATOM 0 HG SER A 68 -0.169 -6.483 -3.213 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.483 -8.282 -6.582 1.00 0.46 N ATOM 1070 CA GLY A 69 -2.804 -8.456 -7.087 1.00 0.43 C ATOM 1071 C GLY A 69 -3.791 -7.821 -6.160 1.00 0.38 C ATOM 1072 O GLY A 69 -3.519 -7.673 -4.968 1.00 0.42 O ATOM 0 H GLY A 69 -1.171 -9.013 -5.942 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -2.885 -8.011 -8.079 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.024 -9.518 -7.195 1.00 0.43 H new ATOM 1076 N GLN A 70 -4.915 -7.438 -6.707 1.00 0.39 N ATOM 1077 CA GLN A 70 -5.940 -6.767 -5.971 1.00 0.43 C ATOM 1078 C GLN A 70 -6.318 -7.538 -4.709 1.00 0.35 C ATOM 1079 O GLN A 70 -6.661 -8.720 -4.740 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.101 -6.545 -6.921 1.00 0.62 C ATOM 1081 CG GLN A 70 -7.903 -7.790 -7.264 1.00 0.78 C ATOM 1082 CD GLN A 70 -8.825 -7.608 -8.455 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -8.366 -6.907 -9.479 1.00 1.14 O flip ATOM 1084 NE2 GLN A 70 -9.928 -8.153 -8.480 1.00 1.31 N flip ATOM 0 H GLN A 70 -5.142 -7.588 -7.690 1.00 0.39 H new ATOM 0 HA GLN A 70 -5.595 -5.801 -5.604 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -7.774 -5.808 -6.482 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -6.716 -6.114 -7.845 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.215 -8.610 -7.469 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -8.496 -8.081 -6.397 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.252 -8.686 -7.673 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -10.518 -8.071 -9.308 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.180 -6.845 -3.597 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.384 -7.405 -2.278 1.00 0.36 C ATOM 1095 C TYR A 71 -7.447 -6.604 -1.549 1.00 0.32 C ATOM 1096 O TYR A 71 -7.899 -5.584 -2.054 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.068 -7.365 -1.494 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.372 -6.013 -1.532 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.044 -4.844 -1.181 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.046 -5.906 -1.925 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.418 -3.617 -1.223 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.409 -4.679 -1.964 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.102 -3.540 -1.612 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.473 -2.321 -1.632 1.00 0.68 O ATOM 0 H TYR A 71 -5.918 -5.859 -3.585 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.713 -8.440 -2.367 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.266 -7.632 -0.456 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.394 -8.122 -1.895 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.077 -4.901 -0.870 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.502 -6.796 -2.205 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -4.958 -2.722 -0.952 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.375 -4.613 -2.268 1.00 0.62 H new ATOM 0 HH TYR A 71 -1.824 -2.300 -2.366 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.828 -7.038 -0.364 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.796 -6.293 0.423 1.00 0.33 C ATOM 1116 C ARG A 72 -8.078 -5.346 1.368 1.00 0.27 C ATOM 1117 O ARG A 72 -7.363 -5.784 2.261 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.658 -7.245 1.237 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.248 -8.378 0.433 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.905 -9.379 1.349 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.227 -10.626 0.664 1.00 1.10 N ATOM 1122 CZ ARG A 72 -12.437 -11.175 0.632 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -13.476 -10.540 1.157 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -12.609 -12.348 0.041 1.00 1.52 N ATOM 0 H ARG A 72 -7.487 -7.894 0.074 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.428 -5.724 -0.258 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.058 -7.661 2.046 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.468 -6.681 1.699 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -10.979 -7.989 -0.276 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.467 -8.866 -0.150 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -10.243 -9.589 2.189 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.817 -8.947 1.761 1.00 1.06 H new ATOM 0 HE ARG A 72 -10.473 -11.109 0.177 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -13.349 -9.625 1.589 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -14.402 -10.967 1.129 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -11.815 -12.825 -0.386 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -13.535 -12.774 0.013 1.00 1.52 H new ATOM 1138 N MET A 73 -8.266 -4.053 1.186 1.00 0.26 N ATOM 1139 CA MET A 73 -7.643 -3.080 2.079 1.00 0.26 C ATOM 1140 C MET A 73 -8.678 -2.481 3.018 1.00 0.23 C ATOM 1141 O MET A 73 -9.781 -2.147 2.593 1.00 0.24 O ATOM 1142 CB MET A 73 -6.976 -1.960 1.299 1.00 0.30 C ATOM 1143 CG MET A 73 -6.206 -0.991 2.185 1.00 0.35 C ATOM 1144 SD MET A 73 -4.422 -1.117 1.965 1.00 0.77 S ATOM 1145 CE MET A 73 -3.877 0.298 2.921 1.00 0.60 C ATOM 0 H MET A 73 -8.835 -3.651 0.441 1.00 0.26 H new ATOM 0 HA MET A 73 -6.884 -3.608 2.656 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.295 -2.392 0.566 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.736 -1.410 0.744 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.524 0.028 1.965 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.454 -1.184 3.229 1.00 0.35 H new ATOM 0 HE1 MET A 73 -3.474 1.057 2.250 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.722 0.712 3.472 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.104 -0.013 3.623 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.318 -2.357 4.287 1.00 0.22 N ATOM 1156 CA LEU A 74 -9.215 -1.796 5.283 1.00 0.25 C ATOM 1157 C LEU A 74 -9.347 -0.295 5.127 1.00 0.33 C ATOM 1158 O LEU A 74 -8.359 0.438 5.154 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.721 -2.097 6.693 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.709 -1.783 7.810 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -10.445 -3.046 8.199 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -9.002 -1.181 9.014 1.00 0.42 C ATOM 0 H LEU A 74 -7.408 -2.639 4.651 1.00 0.22 H new ATOM 0 HA LEU A 74 -10.189 -2.260 5.127 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.457 -3.153 6.750 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.807 -1.530 6.869 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.426 -1.045 7.449 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -11.152 -2.824 8.998 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.984 -3.434 7.335 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.730 -3.792 8.545 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.732 -0.967 9.795 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -8.262 -1.887 9.392 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.505 -0.257 8.719 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.571 0.148 4.957 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.884 1.554 5.008 1.00 0.26 C ATOM 1176 C ALA A 75 -11.131 1.959 6.444 1.00 0.31 C ATOM 1177 O ALA A 75 -11.405 1.118 7.301 1.00 0.60 O ATOM 1178 CB ALA A 75 -12.091 1.876 4.137 1.00 0.29 C ATOM 0 H ALA A 75 -11.374 -0.455 4.780 1.00 0.27 H new ATOM 0 HA ALA A 75 -10.039 2.121 4.617 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.306 2.943 4.193 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.877 1.603 3.104 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.955 1.313 4.490 1.00 0.29 H new ATOM 1184 N LYS A 76 -11.040 3.252 6.675 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.161 3.861 7.995 1.00 0.30 C ATOM 1186 C LYS A 76 -12.335 3.309 8.813 1.00 0.33 C ATOM 1187 O LYS A 76 -12.267 3.212 10.035 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.354 5.354 7.785 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.224 6.172 9.042 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.428 7.652 8.755 1.00 0.47 C ATOM 1191 CE LYS A 76 -12.864 7.954 8.338 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.818 7.765 9.464 1.00 1.23 N ATOM 0 H LYS A 76 -10.875 3.932 5.933 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.259 3.633 8.563 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.622 5.706 7.058 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.340 5.525 7.353 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.957 5.836 9.776 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.239 6.016 9.481 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.177 8.233 9.643 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.746 7.967 7.965 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -12.929 8.980 7.975 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.146 7.304 7.510 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.742 8.169 9.208 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.927 6.749 9.660 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.454 8.244 10.312 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.391 2.928 8.120 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.659 2.575 8.749 1.00 0.62 C ATOM 1208 C HIS A 77 -14.924 1.071 8.680 1.00 0.69 C ATOM 1209 O HIS A 77 -16.070 0.634 8.610 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.810 3.378 8.113 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.556 3.805 6.694 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -14.756 4.780 6.200 1.00 0.74 N flip ATOM 1213 CD2 HIS A 77 -16.125 3.199 5.601 1.00 0.67 C flip ATOM 1214 CE1 HIS A 77 -14.850 4.743 4.837 1.00 0.70 C flip ATOM 1215 NE2 HIS A 77 -15.680 3.778 4.501 1.00 0.69 N flip ATOM 0 H HIS A 77 -13.399 2.853 7.103 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.598 2.837 9.805 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.717 2.775 8.142 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.997 4.265 8.719 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -16.826 2.378 5.636 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -14.331 5.396 4.151 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -15.937 3.520 3.548 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.852 0.289 8.715 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.970 -1.161 8.648 1.00 0.72 C ATOM 1226 C GLY A 78 -14.289 -1.636 7.255 1.00 0.76 C ATOM 1227 O GLY A 78 -14.750 -2.760 7.048 1.00 1.31 O ATOM 0 H GLY A 78 -12.895 0.634 8.789 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -13.038 -1.617 8.982 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -14.751 -1.493 9.332 1.00 0.72 H new ATOM 1231 N GLY A 79 -14.060 -0.754 6.304 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.346 -1.056 4.929 1.00 0.37 C ATOM 1233 C GLY A 79 -13.272 -1.893 4.304 1.00 0.28 C ATOM 1234 O GLY A 79 -12.190 -2.043 4.858 1.00 0.29 O ATOM 0 H GLY A 79 -13.676 0.177 6.465 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -15.299 -1.581 4.864 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.454 -0.127 4.369 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.582 -2.445 3.164 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.618 -3.204 2.399 1.00 0.21 C ATOM 1240 C TYR A 80 -12.770 -2.889 0.936 1.00 0.22 C ATOM 1241 O TYR A 80 -13.833 -3.077 0.355 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.767 -4.709 2.620 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.295 -5.167 3.973 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.955 -5.094 4.321 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.194 -5.672 4.900 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.521 -5.512 5.561 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.768 -6.092 6.143 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.417 -6.011 6.465 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.995 -6.421 7.708 1.00 0.38 O ATOM 0 H TYR A 80 -14.506 -2.385 2.735 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.624 -2.916 2.742 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.815 -4.984 2.497 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.206 -5.238 1.850 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.241 -4.704 3.611 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.242 -5.737 4.646 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.474 -5.445 5.818 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.477 -6.480 6.860 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.762 -6.747 8.223 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.715 -2.382 0.358 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.693 -2.094 -1.053 1.00 0.28 C ATOM 1261 C VAL A 81 -10.600 -2.915 -1.709 1.00 0.26 C ATOM 1262 O VAL A 81 -9.550 -3.143 -1.108 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.492 -0.583 -1.314 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.824 0.144 -1.217 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.511 0.012 -0.314 1.00 0.30 C ATOM 0 H VAL A 81 -10.849 -2.157 0.848 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.655 -2.365 -1.488 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.084 -0.461 -2.318 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.672 1.207 -1.402 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.513 -0.259 -1.959 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.242 0.005 -0.220 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.385 1.076 -0.517 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.896 -0.122 0.697 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.548 -0.491 -0.405 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.860 -3.401 -2.909 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.899 -4.248 -3.596 1.00 0.29 C ATOM 1277 C TRP A 82 -8.864 -3.410 -4.324 1.00 0.28 C ATOM 1278 O TRP A 82 -9.191 -2.696 -5.261 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.605 -5.188 -4.567 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.331 -6.307 -3.885 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.587 -6.276 -3.350 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.830 -7.626 -3.657 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.896 -7.502 -2.813 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.835 -8.346 -2.990 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.630 -8.270 -3.963 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.673 -9.677 -2.615 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.470 -9.591 -3.587 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.488 -10.284 -2.924 1.00 0.52 C ATOM 0 H TRP A 82 -11.722 -3.226 -3.426 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.385 -4.851 -2.847 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.314 -4.616 -5.166 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -9.871 -5.606 -5.256 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.240 -5.416 -3.349 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.775 -7.744 -2.356 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -8.842 -7.747 -4.483 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.456 -10.211 -2.098 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.542 -10.097 -3.809 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.335 -11.318 -2.651 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.616 -3.502 -3.892 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.559 -2.672 -4.456 1.00 0.28 C ATOM 1301 C LEU A 83 -5.413 -3.485 -5.012 1.00 0.29 C ATOM 1302 O LEU A 83 -5.001 -4.483 -4.433 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.004 -1.697 -3.417 1.00 0.28 C ATOM 1304 CG LEU A 83 -6.892 -0.519 -3.035 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.728 -0.863 -1.826 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.047 0.718 -2.769 1.00 0.40 C ATOM 0 H LEU A 83 -7.310 -4.139 -3.157 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.023 -2.122 -5.274 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.777 -2.259 -2.511 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.060 -1.303 -3.792 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.562 -0.303 -3.867 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.357 -0.012 -1.565 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.357 -1.724 -2.052 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -7.074 -1.102 -0.987 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -6.696 1.551 -2.497 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.354 0.517 -1.952 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.485 0.974 -3.667 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.894 -3.015 -6.131 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.746 -3.621 -6.776 1.00 0.34 C ATOM 1320 C GLU A 84 -2.537 -2.716 -6.581 1.00 0.35 C ATOM 1321 O GLU A 84 -2.649 -1.498 -6.723 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.038 -3.812 -8.261 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.837 -5.236 -8.742 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.496 -5.495 -10.076 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -4.046 -4.922 -11.089 1.00 0.88 O ATOM 1326 OE2 GLU A 84 -5.469 -6.279 -10.117 1.00 1.23 O ATOM 0 H GLU A 84 -5.259 -2.198 -6.620 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.538 -4.596 -6.336 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.066 -3.511 -8.462 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.394 -3.148 -8.838 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.770 -5.442 -8.822 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.240 -5.926 -8.001 1.00 0.59 H new ATOM 1333 N THR A 85 -1.398 -3.294 -6.244 1.00 0.36 N ATOM 1334 CA THR A 85 -0.217 -2.497 -5.954 1.00 0.37 C ATOM 1335 C THR A 85 0.914 -2.769 -6.930 1.00 0.32 C ATOM 1336 O THR A 85 1.509 -3.847 -6.955 1.00 0.43 O ATOM 1337 CB THR A 85 0.269 -2.714 -4.509 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.736 -2.259 -3.597 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.567 -1.962 -4.239 1.00 0.60 C ATOM 0 H THR A 85 -1.265 -4.302 -6.165 1.00 0.36 H new ATOM 0 HA THR A 85 -0.515 -1.455 -6.069 1.00 0.37 H new ATOM 0 HB THR A 85 0.455 -3.779 -4.370 1.00 0.52 H new ATOM 0 HG1 THR A 85 -0.844 -1.289 -3.686 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.882 -2.137 -3.210 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.341 -2.316 -4.920 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.408 -0.895 -4.393 1.00 0.60 H new ATOM 1347 N GLN A 86 1.182 -1.769 -7.739 1.00 0.29 N ATOM 1348 CA GLN A 86 2.326 -1.758 -8.620 1.00 0.35 C ATOM 1349 C GLN A 86 3.541 -1.271 -7.831 1.00 0.28 C ATOM 1350 O GLN A 86 3.641 -0.092 -7.488 1.00 0.30 O ATOM 1351 CB GLN A 86 2.015 -0.855 -9.813 1.00 0.50 C ATOM 1352 CG GLN A 86 3.223 -0.430 -10.615 1.00 0.70 C ATOM 1353 CD GLN A 86 2.843 0.432 -11.802 1.00 1.06 C ATOM 1354 OE1 GLN A 86 1.839 1.145 -11.776 1.00 1.95 O ATOM 1355 NE2 GLN A 86 3.645 0.381 -12.846 1.00 1.15 N ATOM 0 H GLN A 86 0.604 -0.931 -7.804 1.00 0.29 H new ATOM 0 HA GLN A 86 2.548 -2.754 -9.002 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.322 -1.375 -10.474 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.503 0.037 -9.452 1.00 0.50 H new ATOM 0 HG2 GLN A 86 3.909 0.121 -9.972 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.755 -1.315 -10.965 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.467 -0.222 -12.829 1.00 1.15 H new ATOM 0 HE22 GLN A 86 3.444 0.945 -13.672 1.00 1.15 H new ATOM 1364 N GLY A 87 4.443 -2.189 -7.516 1.00 0.27 N ATOM 1365 CA GLY A 87 5.497 -1.894 -6.569 1.00 0.26 C ATOM 1366 C GLY A 87 6.882 -1.808 -7.180 1.00 0.24 C ATOM 1367 O GLY A 87 7.165 -2.389 -8.228 1.00 0.27 O ATOM 0 H GLY A 87 4.463 -3.134 -7.900 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.271 -0.949 -6.076 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.501 -2.663 -5.797 1.00 0.26 H new ATOM 1371 N THR A 88 7.733 -1.067 -6.496 1.00 0.23 N ATOM 1372 CA THR A 88 9.117 -0.845 -6.902 1.00 0.22 C ATOM 1373 C THR A 88 9.967 -0.530 -5.668 1.00 0.25 C ATOM 1374 O THR A 88 9.529 0.215 -4.797 1.00 0.36 O ATOM 1375 CB THR A 88 9.223 0.322 -7.917 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.332 0.097 -9.023 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.645 0.469 -8.439 1.00 0.24 C ATOM 0 H THR A 88 7.483 -0.593 -5.628 1.00 0.23 H new ATOM 0 HA THR A 88 9.482 -1.751 -7.385 1.00 0.22 H new ATOM 0 HB THR A 88 8.945 1.240 -7.400 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.405 0.840 -9.658 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.688 1.295 -9.149 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.319 0.670 -7.606 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.947 -0.453 -8.936 1.00 0.24 H new ATOM 1385 N VAL A 89 11.158 -1.103 -5.571 1.00 0.28 N ATOM 1386 CA VAL A 89 12.050 -0.778 -4.460 1.00 0.31 C ATOM 1387 C VAL A 89 13.147 0.171 -4.905 1.00 0.30 C ATOM 1388 O VAL A 89 13.946 -0.145 -5.786 1.00 0.34 O ATOM 1389 CB VAL A 89 12.692 -2.025 -3.808 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.840 -1.631 -2.892 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.663 -2.798 -3.013 1.00 0.56 C ATOM 0 H VAL A 89 11.527 -1.784 -6.234 1.00 0.28 H new ATOM 0 HA VAL A 89 11.423 -0.299 -3.709 1.00 0.31 H new ATOM 0 HB VAL A 89 13.078 -2.654 -4.610 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.274 -2.526 -2.446 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.602 -1.107 -3.469 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.468 -0.977 -2.103 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.133 -3.672 -2.562 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.255 -2.160 -2.229 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.859 -3.120 -3.675 1.00 0.56 H new ATOM 1401 N ILE A 90 13.159 1.339 -4.298 1.00 0.27 N ATOM 1402 CA ILE A 90 14.215 2.293 -4.517 1.00 0.30 C ATOM 1403 C ILE A 90 15.331 2.021 -3.515 1.00 0.34 C ATOM 1404 O ILE A 90 15.141 2.131 -2.309 1.00 0.41 O ATOM 1405 CB ILE A 90 13.673 3.742 -4.436 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.697 4.745 -4.949 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.250 4.114 -3.032 1.00 0.73 C ATOM 1408 CD1 ILE A 90 14.085 6.080 -5.299 1.00 0.78 C ATOM 0 H ILE A 90 12.440 1.649 -3.644 1.00 0.27 H new ATOM 0 HA ILE A 90 14.624 2.183 -5.521 1.00 0.30 H new ATOM 0 HB ILE A 90 12.791 3.778 -5.076 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.467 4.891 -4.191 1.00 0.71 H new ATOM 0 HG13 ILE A 90 15.191 4.335 -5.830 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.877 5.138 -3.024 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.463 3.438 -2.698 1.00 0.73 H new ATOM 0 HG23 ILE A 90 14.105 4.034 -2.361 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.863 6.754 -5.659 1.00 0.78 H new ATOM 0 HD12 ILE A 90 13.335 5.943 -6.078 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.615 6.508 -4.414 1.00 0.78 H new ATOM 1420 N TYR A 91 16.459 1.544 -4.008 1.00 0.36 N ATOM 1421 CA TYR A 91 17.563 1.204 -3.129 1.00 0.42 C ATOM 1422 C TYR A 91 18.479 2.388 -2.865 1.00 0.48 C ATOM 1423 O TYR A 91 18.552 3.340 -3.643 1.00 0.58 O ATOM 1424 CB TYR A 91 18.404 0.053 -3.663 1.00 0.51 C ATOM 1425 CG TYR A 91 17.679 -1.267 -3.829 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.998 -1.554 -5.006 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.647 -2.209 -2.808 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.312 -2.742 -5.164 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.959 -3.399 -2.956 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.402 -3.721 -4.130 1.00 0.79 C ATOM 1431 OH TYR A 91 15.598 -4.841 -4.288 1.00 1.06 O ATOM 0 H TYR A 91 16.634 1.385 -5.000 1.00 0.36 H new ATOM 0 HA TYR A 91 17.092 0.897 -2.195 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.815 0.345 -4.629 1.00 0.51 H new ATOM 0 HB3 TYR A 91 19.248 -0.099 -2.990 1.00 0.51 H new ATOM 0 HD1 TYR A 91 17.005 -0.835 -5.812 1.00 0.45 H new ATOM 0 HD2 TYR A 91 18.168 -2.008 -1.884 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.721 -2.926 -6.049 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.870 -4.074 -2.118 1.00 0.76 H new ATOM 0 HH TYR A 91 15.476 -5.281 -3.421 1.00 1.06 H new ATOM 1441 N ASN A 92 19.148 2.306 -1.728 1.00 0.57 N ATOM 1442 CA ASN A 92 20.167 3.261 -1.317 1.00 0.71 C ATOM 1443 C ASN A 92 21.351 3.206 -2.265 1.00 0.69 C ATOM 1444 O ASN A 92 21.885 2.147 -2.483 1.00 0.63 O ATOM 1445 CB ASN A 92 20.654 2.857 0.067 1.00 0.83 C ATOM 1446 CG ASN A 92 21.412 3.949 0.783 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.099 4.762 0.169 1.00 1.77 O ATOM 1448 ND2 ASN A 92 21.307 3.946 2.090 1.00 1.50 N ATOM 0 H ASN A 92 18.996 1.559 -1.050 1.00 0.57 H new ATOM 0 HA ASN A 92 19.747 4.267 -1.320 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.797 2.563 0.673 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.295 1.980 -0.024 1.00 0.83 H new ATOM 0 HD21 ASN A 92 21.809 4.640 2.644 1.00 1.50 H new ATOM 0 HD22 ASN A 92 20.723 3.249 2.553 1.00 1.50 H new ATOM 1455 N PRO A 93 21.805 4.316 -2.830 1.00 0.84 N ATOM 1456 CA PRO A 93 22.973 4.282 -3.707 1.00 0.91 C ATOM 1457 C PRO A 93 24.262 3.889 -2.983 1.00 0.96 C ATOM 1458 O PRO A 93 25.087 3.156 -3.525 1.00 1.00 O ATOM 1459 CB PRO A 93 23.074 5.701 -4.242 1.00 1.13 C ATOM 1460 CG PRO A 93 22.292 6.548 -3.292 1.00 1.23 C ATOM 1461 CD PRO A 93 21.225 5.662 -2.709 1.00 1.00 C ATOM 0 HA PRO A 93 22.855 3.527 -4.485 1.00 0.91 H new ATOM 0 HB2 PRO A 93 24.113 6.027 -4.293 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.669 5.769 -5.252 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.936 6.947 -2.508 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.850 7.401 -3.807 1.00 1.23 H new ATOM 0 HD2 PRO A 93 21.012 5.917 -1.671 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.287 5.747 -3.257 1.00 1.00 H new ATOM 1469 N ARG A 94 24.426 4.355 -1.753 1.00 1.03 N ATOM 1470 CA ARG A 94 25.676 4.139 -1.031 1.00 1.13 C ATOM 1471 C ARG A 94 25.650 2.850 -0.206 1.00 1.04 C ATOM 1472 O ARG A 94 26.673 2.178 -0.062 1.00 1.16 O ATOM 1473 CB ARG A 94 25.996 5.346 -0.143 1.00 1.37 C ATOM 1474 CG ARG A 94 24.922 5.675 0.879 1.00 1.93 C ATOM 1475 CD ARG A 94 25.241 6.959 1.618 1.00 2.43 C ATOM 1476 NE ARG A 94 26.559 6.913 2.243 1.00 3.09 N ATOM 1477 CZ ARG A 94 27.495 7.841 2.072 1.00 3.87 C ATOM 1478 NH1 ARG A 94 27.243 8.908 1.319 1.00 4.14 N ATOM 1479 NH2 ARG A 94 28.676 7.698 2.655 1.00 4.77 N ATOM 0 H ARG A 94 23.719 4.879 -1.237 1.00 1.03 H new ATOM 0 HA ARG A 94 26.467 4.028 -1.773 1.00 1.13 H new ATOM 0 HB2 ARG A 94 26.933 5.158 0.381 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.155 6.217 -0.778 1.00 1.37 H new ATOM 0 HG2 ARG A 94 23.958 5.770 0.379 1.00 1.93 H new ATOM 0 HG3 ARG A 94 24.832 4.855 1.592 1.00 1.93 H new ATOM 0 HD2 ARG A 94 25.197 7.798 0.924 1.00 2.43 H new ATOM 0 HD3 ARG A 94 24.483 7.137 2.381 1.00 2.43 H new ATOM 0 HE ARG A 94 26.775 6.121 2.848 1.00 3.09 H new ATOM 0 HH11 ARG A 94 26.332 9.014 0.873 1.00 4.14 H new ATOM 0 HH12 ARG A 94 27.961 9.620 1.187 1.00 4.14 H new ATOM 0 HH21 ARG A 94 28.864 6.878 3.232 1.00 4.77 H new ATOM 0 HH22 ARG A 94 29.397 8.408 2.527 1.00 4.77 H new ATOM 1493 N ASN A 95 24.488 2.505 0.331 1.00 0.99 N ATOM 1494 CA ASN A 95 24.365 1.310 1.176 1.00 1.00 C ATOM 1495 C ASN A 95 23.628 0.190 0.454 1.00 0.85 C ATOM 1496 O ASN A 95 23.701 -0.970 0.850 1.00 0.92 O ATOM 1497 CB ASN A 95 23.645 1.643 2.488 1.00 1.15 C ATOM 1498 CG ASN A 95 24.459 2.549 3.393 1.00 1.58 C ATOM 1499 OD1 ASN A 95 24.389 3.772 3.292 1.00 2.23 O ATOM 1500 ND2 ASN A 95 25.226 1.960 4.293 1.00 1.99 N ATOM 0 H ASN A 95 23.620 3.026 0.202 1.00 0.99 H new ATOM 0 HA ASN A 95 25.375 0.967 1.401 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.693 2.123 2.263 1.00 1.15 H new ATOM 0 HB3 ASN A 95 23.418 0.718 3.017 1.00 1.15 H new ATOM 0 HD21 ASN A 95 25.785 2.523 4.933 1.00 1.99 H new ATOM 0 HD22 ASN A 95 25.259 0.942 4.347 1.00 1.99 H new ATOM 1507 N LEU A 96 22.925 0.557 -0.611 1.00 0.72 N ATOM 1508 CA LEU A 96 22.106 -0.367 -1.405 1.00 0.63 C ATOM 1509 C LEU A 96 21.169 -1.235 -0.576 1.00 0.64 C ATOM 1510 O LEU A 96 20.776 -2.327 -0.990 1.00 0.67 O ATOM 1511 CB LEU A 96 22.973 -1.208 -2.324 1.00 0.74 C ATOM 1512 CG LEU A 96 23.492 -0.442 -3.543 1.00 0.86 C ATOM 1513 CD1 LEU A 96 24.385 -1.309 -4.410 1.00 1.22 C ATOM 1514 CD2 LEU A 96 22.318 0.085 -4.351 1.00 1.76 C ATOM 0 H LEU A 96 22.904 1.516 -0.957 1.00 0.72 H new ATOM 0 HA LEU A 96 21.454 0.260 -2.013 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.822 -1.593 -1.758 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.399 -2.070 -2.664 1.00 0.74 H new ATOM 0 HG LEU A 96 24.095 0.394 -3.189 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.734 -0.731 -5.265 1.00 1.22 H new ATOM 0 HD12 LEU A 96 25.241 -1.647 -3.827 1.00 1.22 H new ATOM 0 HD13 LEU A 96 23.822 -2.173 -4.762 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.689 0.630 -5.219 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.701 -0.750 -4.684 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.720 0.753 -3.731 1.00 1.76 H new ATOM 1526 N GLN A 97 20.811 -0.735 0.588 1.00 0.71 N ATOM 1527 CA GLN A 97 19.711 -1.290 1.350 1.00 0.76 C ATOM 1528 C GLN A 97 18.416 -0.743 0.758 1.00 0.64 C ATOM 1529 O GLN A 97 18.463 0.217 -0.016 1.00 0.61 O ATOM 1530 CB GLN A 97 19.840 -0.906 2.827 1.00 0.94 C ATOM 1531 CG GLN A 97 21.093 -1.454 3.494 1.00 1.21 C ATOM 1532 CD GLN A 97 21.120 -2.969 3.529 1.00 2.02 C ATOM 1533 OE1 GLN A 97 20.634 -3.588 4.477 1.00 2.29 O ATOM 1534 NE2 GLN A 97 21.685 -3.579 2.499 1.00 2.81 N ATOM 0 H GLN A 97 21.270 0.061 1.030 1.00 0.71 H new ATOM 0 HA GLN A 97 19.717 -2.379 1.295 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.839 0.181 2.912 1.00 0.94 H new ATOM 0 HB3 GLN A 97 18.964 -1.268 3.365 1.00 0.94 H new ATOM 0 HG2 GLN A 97 21.972 -1.091 2.961 1.00 1.21 H new ATOM 0 HG3 GLN A 97 21.156 -1.070 4.512 1.00 1.21 H new ATOM 0 HE21 GLN A 97 22.076 -3.030 1.733 1.00 2.81 H new ATOM 0 HE22 GLN A 97 21.729 -4.598 2.471 1.00 2.81 H new ATOM 1543 N PRO A 98 17.253 -1.329 1.069 1.00 0.62 N ATOM 1544 CA PRO A 98 15.986 -0.780 0.608 1.00 0.55 C ATOM 1545 C PRO A 98 15.780 0.623 1.153 1.00 0.55 C ATOM 1546 O PRO A 98 15.413 0.808 2.316 1.00 0.62 O ATOM 1547 CB PRO A 98 14.927 -1.751 1.144 1.00 0.60 C ATOM 1548 CG PRO A 98 15.610 -2.531 2.218 1.00 0.62 C ATOM 1549 CD PRO A 98 17.075 -2.551 1.869 1.00 0.72 C ATOM 0 HA PRO A 98 15.939 -0.688 -0.477 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.064 -1.213 1.537 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.561 -2.407 0.355 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.450 -2.070 3.193 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.211 -3.544 2.275 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.701 -2.541 2.762 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.341 -3.444 1.303 1.00 0.72 H new ATOM 1557 N GLN A 99 16.055 1.607 0.309 1.00 0.51 N ATOM 1558 CA GLN A 99 15.972 2.994 0.692 1.00 0.54 C ATOM 1559 C GLN A 99 14.529 3.330 0.989 1.00 0.50 C ATOM 1560 O GLN A 99 14.202 3.910 2.026 1.00 0.57 O ATOM 1561 CB GLN A 99 16.515 3.863 -0.446 1.00 0.56 C ATOM 1562 CG GLN A 99 16.002 5.283 -0.436 1.00 0.72 C ATOM 1563 CD GLN A 99 16.614 6.107 0.676 1.00 0.97 C ATOM 1564 OE1 GLN A 99 17.637 6.763 0.487 1.00 1.73 O ATOM 1565 NE2 GLN A 99 16.008 6.060 1.848 1.00 1.32 N ATOM 0 H GLN A 99 16.341 1.458 -0.659 1.00 0.51 H new ATOM 0 HA GLN A 99 16.568 3.184 1.584 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.603 3.881 -0.388 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.254 3.401 -1.398 1.00 0.56 H new ATOM 0 HG2 GLN A 99 16.220 5.752 -1.395 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.918 5.274 -0.324 1.00 0.72 H new ATOM 0 HE21 GLN A 99 15.161 5.503 1.962 1.00 1.32 H new ATOM 0 HE22 GLN A 99 16.387 6.580 2.639 1.00 1.32 H new ATOM 1574 N CYS A 100 13.673 2.914 0.079 1.00 0.43 N ATOM 1575 CA CYS A 100 12.244 3.126 0.194 1.00 0.41 C ATOM 1576 C CYS A 100 11.525 2.187 -0.757 1.00 0.35 C ATOM 1577 O CYS A 100 12.143 1.552 -1.612 1.00 0.39 O ATOM 1578 CB CYS A 100 11.848 4.574 -0.127 1.00 0.45 C ATOM 1579 SG CYS A 100 12.320 5.797 1.119 1.00 0.64 S ATOM 0 H CYS A 100 13.950 2.416 -0.767 1.00 0.43 H new ATOM 0 HA CYS A 100 11.957 2.925 1.226 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.300 4.855 -1.078 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.767 4.616 -0.263 1.00 0.45 H new ATOM 0 HG CYS A 100 13.194 5.277 1.928 1.00 0.64 H new ATOM 1585 N ILE A 101 10.230 2.097 -0.596 1.00 0.29 N ATOM 1586 CA ILE A 101 9.403 1.290 -1.463 1.00 0.27 C ATOM 1587 C ILE A 101 8.283 2.136 -2.052 1.00 0.23 C ATOM 1588 O ILE A 101 7.557 2.797 -1.326 1.00 0.28 O ATOM 1589 CB ILE A 101 8.845 0.088 -0.680 1.00 0.35 C ATOM 1590 CG1 ILE A 101 10.002 -0.847 -0.319 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.781 -0.641 -1.487 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.737 -1.728 0.875 1.00 0.73 C ATOM 0 H ILE A 101 9.716 2.581 0.140 1.00 0.29 H new ATOM 0 HA ILE A 101 10.004 0.909 -2.288 1.00 0.27 H new ATOM 0 HB ILE A 101 8.368 0.440 0.235 1.00 0.35 H new ATOM 0 HG12 ILE A 101 10.226 -1.478 -1.179 1.00 0.66 H new ATOM 0 HG13 ILE A 101 10.891 -0.247 -0.123 1.00 0.66 H new ATOM 0 HG21 ILE A 101 7.403 -1.486 -0.911 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.961 0.042 -1.709 1.00 0.37 H new ATOM 0 HG23 ILE A 101 8.215 -1.002 -2.419 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.606 -2.358 1.062 1.00 0.73 H new ATOM 0 HD12 ILE A 101 9.544 -1.107 1.750 1.00 0.73 H new ATOM 0 HD13 ILE A 101 8.869 -2.357 0.678 1.00 0.73 H new ATOM 1604 N MET A 102 8.144 2.110 -3.365 1.00 0.22 N ATOM 1605 CA MET A 102 7.181 2.960 -4.053 1.00 0.23 C ATOM 1606 C MET A 102 5.972 2.135 -4.457 1.00 0.22 C ATOM 1607 O MET A 102 6.103 1.144 -5.178 1.00 0.24 O ATOM 1608 CB MET A 102 7.819 3.590 -5.293 1.00 0.30 C ATOM 1609 CG MET A 102 9.007 4.489 -4.985 1.00 0.69 C ATOM 1610 SD MET A 102 9.850 5.071 -6.472 1.00 1.47 S ATOM 1611 CE MET A 102 8.533 5.970 -7.289 1.00 1.81 C ATOM 0 H MET A 102 8.688 1.507 -3.982 1.00 0.22 H new ATOM 0 HA MET A 102 6.867 3.757 -3.379 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.141 2.796 -5.967 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.064 4.171 -5.823 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.666 5.348 -4.407 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.716 3.945 -4.361 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.940 6.866 -7.758 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.078 5.337 -8.051 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.778 6.255 -6.556 1.00 1.81 H new ATOM 1621 N CYS A 103 4.804 2.517 -3.968 1.00 0.25 N ATOM 1622 CA CYS A 103 3.586 1.781 -4.270 1.00 0.26 C ATOM 1623 C CYS A 103 2.643 2.596 -5.147 1.00 0.27 C ATOM 1624 O CYS A 103 2.271 3.716 -4.799 1.00 0.32 O ATOM 1625 CB CYS A 103 2.872 1.417 -2.967 1.00 0.31 C ATOM 1626 SG CYS A 103 3.963 0.706 -1.708 1.00 0.39 S ATOM 0 H CYS A 103 4.673 3.328 -3.363 1.00 0.25 H new ATOM 0 HA CYS A 103 3.865 0.879 -4.814 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.399 2.311 -2.561 1.00 0.31 H new ATOM 0 HB3 CYS A 103 2.075 0.707 -3.187 1.00 0.31 H new ATOM 0 HG CYS A 103 4.614 1.659 -1.110 1.00 0.39 H new ATOM 1632 N VAL A 104 2.272 2.039 -6.286 1.00 0.27 N ATOM 1633 CA VAL A 104 1.194 2.601 -7.081 1.00 0.28 C ATOM 1634 C VAL A 104 -0.067 1.783 -6.829 1.00 0.29 C ATOM 1635 O VAL A 104 -0.127 0.603 -7.171 1.00 0.29 O ATOM 1636 CB VAL A 104 1.533 2.617 -8.590 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.409 3.263 -9.383 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.844 3.348 -8.832 1.00 0.34 C ATOM 0 H VAL A 104 2.699 1.201 -6.680 1.00 0.27 H new ATOM 0 HA VAL A 104 1.042 3.638 -6.782 1.00 0.28 H new ATOM 0 HB VAL A 104 1.644 1.587 -8.929 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.666 3.265 -10.442 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.512 2.699 -9.234 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.266 4.288 -9.042 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.068 3.350 -9.899 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.759 4.375 -8.477 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.647 2.844 -8.294 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.069 2.409 -6.227 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.240 1.680 -5.744 1.00 0.30 C ATOM 1650 C ASN A 105 -3.468 1.959 -6.586 1.00 0.27 C ATOM 1651 O ASN A 105 -3.733 3.104 -6.948 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.526 2.044 -4.290 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.434 1.576 -3.354 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -0.867 0.497 -3.522 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -1.106 2.407 -2.383 1.00 0.63 N ATOM 0 H ASN A 105 -1.098 3.415 -6.061 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.013 0.617 -5.821 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.636 3.125 -4.204 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.475 1.601 -3.987 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.356 2.164 -1.736 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -1.602 3.292 -2.280 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.239 0.911 -6.844 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.412 1.004 -7.698 1.00 0.24 C ATOM 1664 C TYR A 106 -6.642 0.501 -6.953 1.00 0.25 C ATOM 1665 O TYR A 106 -6.799 -0.704 -6.753 1.00 0.26 O ATOM 1666 CB TYR A 106 -5.222 0.173 -8.974 1.00 0.29 C ATOM 1667 CG TYR A 106 -4.050 0.592 -9.836 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.764 0.141 -9.563 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -4.232 1.431 -10.927 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.694 0.517 -10.349 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -3.166 1.811 -11.720 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.900 1.354 -11.428 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.836 1.737 -12.217 1.00 0.48 O ATOM 0 H TYR A 106 -4.069 -0.022 -6.469 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.550 2.050 -7.972 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.094 -0.873 -8.694 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -6.133 0.234 -9.569 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.599 -0.515 -8.721 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -5.223 1.793 -11.160 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.701 0.159 -10.122 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -3.325 2.464 -12.566 1.00 0.40 H new ATOM 0 HH TYR A 106 -0.004 1.383 -11.839 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.480 1.428 -6.513 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.752 1.066 -5.896 1.00 0.28 C ATOM 1685 C VAL A 107 -9.694 0.548 -6.981 1.00 0.33 C ATOM 1686 O VAL A 107 -10.267 1.317 -7.751 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.414 2.241 -5.152 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.707 1.792 -4.485 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.462 2.834 -4.126 1.00 0.62 C ATOM 0 H VAL A 107 -7.306 2.431 -6.570 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.552 0.296 -5.151 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.654 3.014 -5.882 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.160 2.636 -3.964 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.397 1.420 -5.242 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.491 0.998 -3.770 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.950 3.662 -3.613 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.187 2.069 -3.400 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.565 3.197 -4.629 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.823 -0.763 -7.044 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.506 -1.422 -8.140 1.00 0.39 C ATOM 1701 C LEU A 108 -11.963 -1.729 -7.821 1.00 0.44 C ATOM 1702 O LEU A 108 -12.855 -0.942 -8.141 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.769 -2.713 -8.498 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.346 -2.520 -9.020 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.514 -3.752 -8.746 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.365 -2.236 -10.509 1.00 0.48 C ATOM 0 H LEU A 108 -9.457 -1.401 -6.337 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.502 -0.737 -8.988 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -9.733 -3.350 -7.614 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.347 -3.247 -9.252 1.00 0.44 H new ATOM 0 HG LEU A 108 -7.902 -1.670 -8.502 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.503 -3.600 -9.124 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.477 -3.934 -7.672 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -7.962 -4.612 -9.245 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.344 -2.101 -10.867 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.825 -3.073 -11.033 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.939 -1.329 -10.699 1.00 0.48 H new ATOM 1718 N SER A 109 -12.210 -2.859 -7.173 1.00 0.44 N ATOM 1719 CA SER A 109 -13.564 -3.371 -7.091 1.00 0.54 C ATOM 1720 C SER A 109 -14.263 -3.040 -5.780 1.00 0.64 C ATOM 1721 O SER A 109 -14.081 -3.732 -4.782 1.00 0.93 O ATOM 1722 CB SER A 109 -13.547 -4.883 -7.309 1.00 0.64 C ATOM 1723 OG SER A 109 -13.030 -5.193 -8.591 1.00 1.46 O ATOM 0 H SER A 109 -11.503 -3.427 -6.706 1.00 0.44 H new ATOM 0 HA SER A 109 -14.138 -2.875 -7.874 1.00 0.54 H new ATOM 0 HB2 SER A 109 -12.940 -5.361 -6.540 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.557 -5.282 -7.211 1.00 0.64 H new ATOM 0 HG SER A 109 -13.024 -6.165 -8.715 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.076 -1.980 -5.850 1.00 0.62 N ATOM 1730 CA GLU A 110 -16.120 -1.634 -4.871 1.00 0.74 C ATOM 1731 C GLU A 110 -15.704 -1.654 -3.397 1.00 0.59 C ATOM 1732 O GLU A 110 -14.609 -2.060 -3.017 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.337 -2.531 -5.062 1.00 1.07 C ATOM 1734 CG GLU A 110 -18.132 -2.248 -6.334 1.00 1.46 C ATOM 1735 CD GLU A 110 -17.327 -2.402 -7.614 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -17.118 -3.553 -8.062 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -16.894 -1.376 -8.182 1.00 2.94 O ATOM 0 H GLU A 110 -15.025 -1.312 -6.619 1.00 0.62 H new ATOM 0 HA GLU A 110 -16.347 -0.590 -5.086 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.009 -3.570 -5.076 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.997 -2.417 -4.202 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -18.988 -2.921 -6.372 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.527 -1.233 -6.285 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.594 -1.114 -2.582 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.436 -1.123 -1.134 1.00 0.59 C ATOM 1746 C ILE A 111 -17.197 -2.290 -0.511 1.00 0.58 C ATOM 1747 O ILE A 111 -18.396 -2.452 -0.732 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.902 0.205 -0.501 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.440 1.390 -1.353 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.347 0.330 0.911 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.911 2.735 -0.839 1.00 0.89 C ATOM 0 H ILE A 111 -17.447 -0.657 -2.903 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.372 -1.242 -0.928 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.991 0.210 -0.457 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.351 1.390 -1.398 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.801 1.255 -2.373 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -16.680 1.270 1.351 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -16.705 -0.502 1.518 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.258 0.312 0.877 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.544 3.524 -1.495 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -18.001 2.756 -0.821 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.528 2.894 0.169 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.497 -3.099 0.251 1.00 0.53 N ATOM 1764 CA GLU A 112 -17.104 -4.174 1.005 1.00 0.61 C ATOM 1765 C GLU A 112 -16.855 -3.941 2.489 1.00 0.64 C ATOM 1766 O GLU A 112 -15.734 -4.066 2.961 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.535 -5.523 0.560 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.763 -6.631 1.568 1.00 1.14 C ATOM 1769 CD GLU A 112 -16.233 -7.972 1.105 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.002 -8.186 1.175 1.00 1.56 O ATOM 1771 OE2 GLU A 112 -17.037 -8.823 0.679 1.00 1.64 O ATOM 0 H GLU A 112 -15.486 -3.030 0.366 1.00 0.53 H new ATOM 0 HA GLU A 112 -18.178 -4.190 0.822 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -16.989 -5.806 -0.390 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.465 -5.417 0.382 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -16.283 -6.362 2.509 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.831 -6.718 1.768 1.00 1.14 H new ATOM 1778 N LYS A 113 -17.884 -3.573 3.223 1.00 0.82 N ATOM 1779 CA LYS A 113 -17.701 -3.218 4.619 1.00 0.95 C ATOM 1780 C LYS A 113 -18.365 -4.250 5.517 1.00 1.14 C ATOM 1781 O LYS A 113 -19.572 -4.185 5.758 1.00 1.29 O ATOM 1782 CB LYS A 113 -18.264 -1.822 4.922 1.00 1.09 C ATOM 1783 CG LYS A 113 -17.994 -0.778 3.849 1.00 1.10 C ATOM 1784 CD LYS A 113 -19.013 -0.834 2.711 1.00 1.47 C ATOM 1785 CE LYS A 113 -20.379 -0.279 3.110 1.00 1.97 C ATOM 1786 NZ LYS A 113 -21.129 -1.180 4.028 1.00 2.69 N ATOM 0 H LYS A 113 -18.844 -3.511 2.885 1.00 0.82 H new ATOM 0 HA LYS A 113 -16.630 -3.202 4.819 1.00 0.95 H new ATOM 0 HB2 LYS A 113 -19.341 -1.904 5.066 1.00 1.09 H new ATOM 0 HB3 LYS A 113 -17.842 -1.472 5.864 1.00 1.09 H new ATOM 0 HG2 LYS A 113 -18.011 0.214 4.299 1.00 1.10 H new ATOM 0 HG3 LYS A 113 -16.993 -0.928 3.444 1.00 1.10 H new ATOM 0 HD2 LYS A 113 -18.631 -0.270 1.860 1.00 1.47 H new ATOM 0 HD3 LYS A 113 -19.128 -1.867 2.383 1.00 1.47 H new ATOM 0 HE2 LYS A 113 -20.245 0.690 3.591 1.00 1.97 H new ATOM 0 HE3 LYS A 113 -20.972 -0.110 2.212 1.00 1.97 H new ATOM 0 HZ1 LYS A 113 -22.147 -1.110 3.828 1.00 2.69 H new ATOM 0 HZ2 LYS A 113 -20.815 -2.161 3.885 1.00 2.69 H new ATOM 0 HZ3 LYS A 113 -20.950 -0.899 5.013 1.00 2.69 H new ATOM 1800 N ASN A 114 -17.570 -5.213 5.975 1.00 1.33 N ATOM 1801 CA ASN A 114 -18.052 -6.278 6.858 1.00 1.59 C ATOM 1802 C ASN A 114 -19.106 -7.125 6.157 1.00 1.87 C ATOM 1803 O ASN A 114 -20.301 -7.002 6.502 1.00 2.52 O ATOM 1804 CB ASN A 114 -18.632 -5.710 8.162 1.00 2.62 C ATOM 1805 CG ASN A 114 -17.575 -5.211 9.130 1.00 3.39 C ATOM 1806 OD1 ASN A 114 -16.461 -4.725 8.614 1.00 3.87 O flip ATOM 1807 ND2 ASN A 114 -17.769 -5.253 10.343 1.00 3.97 N flip ATOM 1808 OXT ASN A 114 -18.745 -7.896 5.249 1.00 2.41 O ATOM 0 H ASN A 114 -16.578 -5.280 5.748 1.00 1.33 H new ATOM 0 HA ASN A 114 -17.195 -6.904 7.106 1.00 1.59 H new ATOM 0 HB2 ASN A 114 -19.309 -4.890 7.922 1.00 2.62 H new ATOM 0 HB3 ASN A 114 -19.226 -6.481 8.652 1.00 2.62 H new ATOM 0 HD21 ASN A 114 -18.642 -5.635 10.707 1.00 3.97 H new ATOM 0 HD22 ASN A 114 -17.057 -4.906 10.986 1.00 3.97 H new TER 1815 ASN A 114