USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1024 hydrogens (22 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 3 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Set 1.2: A 44 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Set 1.3: A 125 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Set 2.1: A 24 GLN : amide:sc=-0.00273 X(o=-0.025,f=-0.11) USER MOD Set 2.2: A 50 MET CE :methyl 180:sc= -0.0219 (180deg=-0.0212) USER MOD Set 3.1: A 16 THR OG1 : rot -130:sc= 0 USER MOD Set 3.2: A 96 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.38) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -114:sc= 0.00431 USER MOD Single : A 5 ASN : amide:sc= -0.0761 K(o=-0.076,f=-1.6) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.348) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00426) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 28:sc= 0.35 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 73 HIS : no HE2:sc= 0.0368 K(o=0.037,f=-3.1!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -90:sc= 0.0937 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 161:sc= 0.383 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc=-0.00607 (180deg=-0.114) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 114:sc= 0.108 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.0131 X(o=0.013,f=0) USER MOD Single : A 111 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.46) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 160:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 26:sc= 0.251 USER MOD Single : A 201 13Q O3 : rot 30:sc= -0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.052 -6.795 -13.995 1.00 0.00 N ATOM 2 CA MET A 1 -2.967 -6.537 -14.997 1.00 52.33 C ATOM 3 C MET A 1 -1.943 -7.691 -15.036 1.00 32.35 C ATOM 4 O MET A 1 -1.702 -8.265 -16.103 1.00 75.31 O ATOM 5 CB MET A 1 -2.274 -5.190 -14.659 1.00 3.31 C ATOM 6 CG MET A 1 -1.616 -4.492 -15.855 1.00 72.30 C ATOM 7 SD MET A 1 -2.790 -3.602 -16.907 1.00 24.22 S ATOM 8 CE MET A 1 -1.679 -2.719 -17.999 1.00 71.40 C ATOM 0 H1 MET A 1 -4.722 -5.999 -13.996 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.554 -7.671 -14.245 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.634 -6.894 -13.048 1.00 0.00 H new ATOM 0 HA MET A 1 -3.413 -6.477 -15.990 1.00 52.33 H new ATOM 0 HB2 MET A 1 -3.012 -4.516 -14.223 1.00 3.31 H new ATOM 0 HB3 MET A 1 -1.515 -5.368 -13.897 1.00 3.31 H new ATOM 0 HG2 MET A 1 -0.865 -3.792 -15.489 1.00 72.30 H new ATOM 0 HG3 MET A 1 -1.092 -5.235 -16.456 1.00 72.30 H new ATOM 0 HE1 MET A 1 -2.259 -2.125 -18.705 1.00 71.40 H new ATOM 0 HE2 MET A 1 -1.038 -2.061 -17.412 1.00 71.40 H new ATOM 0 HE3 MET A 1 -1.062 -3.433 -18.545 1.00 71.40 H new ATOM 20 N CYS A 2 -1.348 -8.022 -13.868 1.00 44.32 N ATOM 21 CA CYS A 2 -0.349 -9.105 -13.755 1.00 45.45 C ATOM 22 C CYS A 2 -0.722 -10.080 -12.623 1.00 63.24 C ATOM 23 O CYS A 2 -1.588 -9.775 -11.795 1.00 61.50 O ATOM 24 CB CYS A 2 1.053 -8.516 -13.502 1.00 54.55 C ATOM 25 SG CYS A 2 1.755 -7.607 -14.903 1.00 3.24 S ATOM 0 H CYS A 2 -1.545 -7.550 -12.986 1.00 44.32 H new ATOM 0 HA CYS A 2 -0.339 -9.656 -14.696 1.00 45.45 H new ATOM 0 HB2 CYS A 2 1.002 -7.848 -12.642 1.00 54.55 H new ATOM 0 HB3 CYS A 2 1.731 -9.327 -13.236 1.00 54.55 H new ATOM 0 HG CYS A 2 2.930 -7.154 -14.581 1.00 3.24 H new ATOM 31 N ASN A 3 -0.063 -11.259 -12.596 1.00 42.33 N ATOM 32 CA ASN A 3 -0.319 -12.286 -11.567 1.00 22.21 C ATOM 33 C ASN A 3 0.912 -13.191 -11.365 1.00 70.11 C ATOM 34 O ASN A 3 1.563 -13.580 -12.341 1.00 14.41 O ATOM 35 CB ASN A 3 -1.550 -13.138 -11.952 1.00 33.33 C ATOM 36 CG ASN A 3 -2.209 -13.807 -10.748 1.00 64.15 C ATOM 37 OD1 ASN A 3 -3.105 -13.235 -10.126 1.00 44.23 O ATOM 38 ND2 ASN A 3 -1.769 -15.021 -10.410 1.00 22.42 N ATOM 0 H ASN A 3 0.650 -11.521 -13.276 1.00 42.33 H new ATOM 0 HA ASN A 3 -0.522 -11.775 -10.626 1.00 22.21 H new ATOM 0 HB2 ASN A 3 -2.281 -12.505 -12.455 1.00 33.33 H new ATOM 0 HB3 ASN A 3 -1.247 -13.904 -12.666 1.00 33.33 H new ATOM 0 HD21 ASN A 3 -2.177 -15.507 -9.612 1.00 22.42 H new ATOM 0 HD22 ASN A 3 -1.025 -15.462 -10.950 1.00 22.42 H new ATOM 45 N THR A 4 1.217 -13.521 -10.093 1.00 2.04 N ATOM 46 CA THR A 4 2.364 -14.384 -9.746 1.00 44.32 C ATOM 47 C THR A 4 1.924 -15.535 -8.818 1.00 54.34 C ATOM 48 O THR A 4 2.074 -16.706 -9.177 1.00 61.02 O ATOM 49 CB THR A 4 3.490 -13.551 -9.091 1.00 62.14 C ATOM 50 OG1 THR A 4 2.987 -12.762 -8.022 1.00 24.04 O ATOM 51 CG2 THR A 4 4.190 -12.611 -10.058 1.00 43.41 C ATOM 0 H THR A 4 0.682 -13.201 -9.286 1.00 2.04 H new ATOM 0 HA THR A 4 2.752 -14.823 -10.665 1.00 44.32 H new ATOM 0 HB THR A 4 4.210 -14.287 -8.735 1.00 62.14 H new ATOM 0 HG1 THR A 4 3.068 -11.812 -8.250 1.00 24.04 H new ATOM 0 HG21 THR A 4 4.968 -12.059 -9.530 1.00 43.41 H new ATOM 0 HG22 THR A 4 4.640 -13.189 -10.866 1.00 43.41 H new ATOM 0 HG23 THR A 4 3.466 -11.910 -10.473 1.00 43.41 H new ATOM 59 N ASN A 5 1.373 -15.188 -7.626 1.00 73.50 N ATOM 60 CA ASN A 5 0.891 -16.171 -6.623 1.00 61.33 C ATOM 61 C ASN A 5 2.007 -17.154 -6.174 1.00 1.44 C ATOM 62 O ASN A 5 1.775 -18.365 -6.059 1.00 32.31 O ATOM 63 CB ASN A 5 -0.352 -16.933 -7.160 1.00 12.23 C ATOM 64 CG ASN A 5 -1.187 -17.602 -6.061 1.00 72.21 C ATOM 65 OD1 ASN A 5 -1.108 -17.232 -4.886 1.00 22.42 O ATOM 66 ND2 ASN A 5 -1.998 -18.593 -6.436 1.00 64.24 N ATOM 0 H ASN A 5 1.251 -14.218 -7.334 1.00 73.50 H new ATOM 0 HA ASN A 5 0.596 -15.612 -5.735 1.00 61.33 H new ATOM 0 HB2 ASN A 5 -0.984 -16.237 -7.711 1.00 12.23 H new ATOM 0 HB3 ASN A 5 -0.023 -17.694 -7.868 1.00 12.23 H new ATOM 0 HD21 ASN A 5 -2.576 -19.069 -5.743 1.00 64.24 H new ATOM 0 HD22 ASN A 5 -2.040 -18.875 -7.415 1.00 64.24 H new ATOM 73 N MET A 6 3.218 -16.616 -5.918 1.00 54.42 N ATOM 74 CA MET A 6 4.375 -17.424 -5.481 1.00 73.53 C ATOM 75 C MET A 6 5.230 -16.647 -4.450 1.00 74.30 C ATOM 76 O MET A 6 6.460 -16.575 -4.571 1.00 41.23 O ATOM 77 CB MET A 6 5.225 -17.834 -6.707 1.00 54.30 C ATOM 78 CG MET A 6 4.569 -18.888 -7.601 1.00 72.31 C ATOM 79 SD MET A 6 5.622 -19.404 -8.976 1.00 55.11 S ATOM 80 CE MET A 6 4.700 -20.804 -9.612 1.00 71.52 C ATOM 0 H MET A 6 3.420 -15.620 -6.007 1.00 54.42 H new ATOM 0 HA MET A 6 4.008 -18.327 -4.994 1.00 73.53 H new ATOM 0 HB2 MET A 6 5.433 -16.946 -7.304 1.00 54.30 H new ATOM 0 HB3 MET A 6 6.185 -18.216 -6.358 1.00 54.30 H new ATOM 0 HG2 MET A 6 4.315 -19.760 -6.998 1.00 72.31 H new ATOM 0 HG3 MET A 6 3.634 -18.490 -7.996 1.00 72.31 H new ATOM 0 HE1 MET A 6 5.227 -21.229 -10.466 1.00 71.52 H new ATOM 0 HE2 MET A 6 4.603 -21.560 -8.833 1.00 71.52 H new ATOM 0 HE3 MET A 6 3.709 -20.475 -9.924 1.00 71.52 H new ATOM 90 N SER A 7 4.562 -16.067 -3.430 1.00 34.11 N ATOM 91 CA SER A 7 5.243 -15.294 -2.371 1.00 20.30 C ATOM 92 C SER A 7 4.380 -15.223 -1.097 1.00 41.10 C ATOM 93 O SER A 7 3.236 -14.759 -1.148 1.00 55.11 O ATOM 94 CB SER A 7 5.575 -13.872 -2.866 1.00 4.15 C ATOM 95 OG SER A 7 6.460 -13.211 -1.973 1.00 24.30 O ATOM 0 H SER A 7 3.550 -16.120 -3.318 1.00 34.11 H new ATOM 0 HA SER A 7 6.173 -15.808 -2.128 1.00 20.30 H new ATOM 0 HB2 SER A 7 6.026 -13.925 -3.857 1.00 4.15 H new ATOM 0 HB3 SER A 7 4.656 -13.295 -2.965 1.00 4.15 H new ATOM 0 HG SER A 7 6.655 -12.312 -2.311 1.00 24.30 H new ATOM 101 N VAL A 8 4.937 -15.689 0.042 1.00 52.31 N ATOM 102 CA VAL A 8 4.224 -15.686 1.337 1.00 3.11 C ATOM 103 C VAL A 8 5.120 -15.067 2.441 1.00 24.30 C ATOM 104 O VAL A 8 5.914 -15.782 3.065 1.00 33.10 O ATOM 105 CB VAL A 8 3.774 -17.131 1.759 1.00 50.13 C ATOM 106 CG1 VAL A 8 2.884 -17.099 3.011 1.00 71.33 C ATOM 107 CG2 VAL A 8 3.053 -17.848 0.610 1.00 41.13 C ATOM 0 H VAL A 8 5.881 -16.073 0.090 1.00 52.31 H new ATOM 0 HA VAL A 8 3.326 -15.080 1.216 1.00 3.11 H new ATOM 0 HB VAL A 8 4.678 -17.692 1.999 1.00 50.13 H new ATOM 0 HG11 VAL A 8 2.591 -18.115 3.275 1.00 71.33 H new ATOM 0 HG12 VAL A 8 3.436 -16.654 3.839 1.00 71.33 H new ATOM 0 HG13 VAL A 8 1.993 -16.505 2.809 1.00 71.33 H new ATOM 0 HG21 VAL A 8 2.754 -18.845 0.934 1.00 41.13 H new ATOM 0 HG22 VAL A 8 2.168 -17.279 0.324 1.00 41.13 H new ATOM 0 HG23 VAL A 8 3.723 -17.930 -0.245 1.00 41.13 H new ATOM 117 N PRO A 9 5.020 -13.723 2.701 1.00 52.24 N ATOM 118 CA PRO A 9 5.840 -13.056 3.732 1.00 51.04 C ATOM 119 C PRO A 9 5.331 -13.327 5.162 1.00 24.21 C ATOM 120 O PRO A 9 4.136 -13.173 5.439 1.00 61.34 O ATOM 121 CB PRO A 9 5.720 -11.571 3.365 1.00 23.14 C ATOM 122 CG PRO A 9 4.386 -11.443 2.711 1.00 15.20 C ATOM 123 CD PRO A 9 4.123 -12.754 2.013 1.00 4.10 C ATOM 0 HA PRO A 9 6.868 -13.419 3.743 1.00 51.04 H new ATOM 0 HB2 PRO A 9 5.788 -10.939 4.250 1.00 23.14 H new ATOM 0 HB3 PRO A 9 6.521 -11.265 2.692 1.00 23.14 H new ATOM 0 HG2 PRO A 9 3.611 -11.234 3.448 1.00 15.20 H new ATOM 0 HG3 PRO A 9 4.380 -10.617 2.000 1.00 15.20 H new ATOM 0 HD2 PRO A 9 3.077 -13.049 2.101 1.00 4.10 H new ATOM 0 HD3 PRO A 9 4.348 -12.690 0.948 1.00 4.10 H new ATOM 131 N THR A 10 6.253 -13.740 6.056 1.00 3.13 N ATOM 132 CA THR A 10 5.923 -14.051 7.459 1.00 1.41 C ATOM 133 C THR A 10 6.701 -13.143 8.434 1.00 1.12 C ATOM 134 O THR A 10 6.092 -12.494 9.290 1.00 22.23 O ATOM 135 CB THR A 10 6.217 -15.543 7.752 1.00 40.33 C ATOM 136 OG1 THR A 10 5.792 -16.375 6.675 1.00 54.33 O ATOM 137 CG2 THR A 10 5.558 -16.063 9.020 1.00 3.51 C ATOM 0 H THR A 10 7.239 -13.866 5.827 1.00 3.13 H new ATOM 0 HA THR A 10 4.860 -13.861 7.610 1.00 1.41 H new ATOM 0 HB THR A 10 7.298 -15.587 7.882 1.00 40.33 H new ATOM 0 HG1 THR A 10 5.991 -17.311 6.886 1.00 54.33 H new ATOM 0 HG21 THR A 10 5.811 -17.114 9.157 1.00 3.51 H new ATOM 0 HG22 THR A 10 5.914 -15.490 9.876 1.00 3.51 H new ATOM 0 HG23 THR A 10 4.476 -15.958 8.937 1.00 3.51 H new ATOM 145 N ASP A 11 8.045 -13.108 8.300 1.00 54.13 N ATOM 146 CA ASP A 11 8.913 -12.286 9.169 1.00 72.21 C ATOM 147 C ASP A 11 9.212 -10.910 8.540 1.00 41.35 C ATOM 148 O ASP A 11 9.313 -9.913 9.264 1.00 43.11 O ATOM 149 CB ASP A 11 10.228 -13.039 9.474 1.00 15.11 C ATOM 150 CG ASP A 11 10.954 -12.507 10.704 1.00 54.42 C ATOM 151 OD1 ASP A 11 10.659 -12.983 11.822 1.00 4.12 O ATOM 152 OD2 ASP A 11 11.817 -11.617 10.547 1.00 12.20 O1- ATOM 0 H ASP A 11 8.553 -13.642 7.595 1.00 54.13 H new ATOM 0 HA ASP A 11 8.378 -12.109 10.102 1.00 72.21 H new ATOM 0 HB2 ASP A 11 10.008 -14.097 9.619 1.00 15.11 H new ATOM 0 HB3 ASP A 11 10.889 -12.967 8.610 1.00 15.11 H new ATOM 157 N GLY A 12 9.358 -10.861 7.194 1.00 23.25 N ATOM 158 CA GLY A 12 9.647 -9.609 6.496 1.00 61.45 C ATOM 159 C GLY A 12 8.480 -8.625 6.525 1.00 22.02 C ATOM 160 O GLY A 12 7.475 -8.837 5.837 1.00 52.13 O ATOM 0 H GLY A 12 9.279 -11.674 6.583 1.00 23.25 H new ATOM 0 HA2 GLY A 12 10.521 -9.141 6.949 1.00 61.45 H new ATOM 0 HA3 GLY A 12 9.904 -9.828 5.460 1.00 61.45 H new ATOM 164 N ALA A 13 8.618 -7.551 7.329 1.00 35.11 N ATOM 165 CA ALA A 13 7.577 -6.518 7.465 1.00 25.14 C ATOM 166 C ALA A 13 8.172 -5.104 7.362 1.00 11.42 C ATOM 167 O ALA A 13 9.362 -4.902 7.632 1.00 21.25 O ATOM 168 CB ALA A 13 6.834 -6.689 8.789 1.00 72.43 C ATOM 0 H ALA A 13 9.448 -7.378 7.897 1.00 35.11 H new ATOM 0 HA ALA A 13 6.871 -6.642 6.643 1.00 25.14 H new ATOM 0 HB1 ALA A 13 6.067 -5.920 8.878 1.00 72.43 H new ATOM 0 HB2 ALA A 13 6.366 -7.673 8.819 1.00 72.43 H new ATOM 0 HB3 ALA A 13 7.538 -6.597 9.616 1.00 72.43 H new ATOM 174 N VAL A 14 7.328 -4.129 6.971 1.00 72.42 N ATOM 175 CA VAL A 14 7.739 -2.721 6.822 1.00 45.04 C ATOM 176 C VAL A 14 7.080 -1.858 7.923 1.00 33.31 C ATOM 177 O VAL A 14 5.852 -1.858 8.062 1.00 71.53 O ATOM 178 CB VAL A 14 7.375 -2.207 5.382 1.00 41.12 C ATOM 179 CG1 VAL A 14 7.344 -0.677 5.279 1.00 53.21 C ATOM 180 CG2 VAL A 14 8.346 -2.787 4.344 1.00 75.52 C ATOM 0 H VAL A 14 6.346 -4.295 6.751 1.00 72.42 H new ATOM 0 HA VAL A 14 8.819 -2.640 6.941 1.00 45.04 H new ATOM 0 HB VAL A 14 6.364 -2.558 5.175 1.00 41.12 H new ATOM 0 HG11 VAL A 14 7.087 -0.386 4.261 1.00 53.21 H new ATOM 0 HG12 VAL A 14 6.599 -0.281 5.969 1.00 53.21 H new ATOM 0 HG13 VAL A 14 8.325 -0.275 5.534 1.00 53.21 H new ATOM 0 HG21 VAL A 14 8.080 -2.421 3.352 1.00 75.52 H new ATOM 0 HG22 VAL A 14 9.363 -2.477 4.584 1.00 75.52 H new ATOM 0 HG23 VAL A 14 8.286 -3.875 4.357 1.00 75.52 H new ATOM 190 N THR A 15 7.912 -1.131 8.706 1.00 21.34 N ATOM 191 CA THR A 15 7.423 -0.269 9.807 1.00 24.51 C ATOM 192 C THR A 15 8.470 0.800 10.203 1.00 72.32 C ATOM 193 O THR A 15 9.676 0.550 10.117 1.00 52.04 O ATOM 194 CB THR A 15 7.033 -1.136 11.031 1.00 43.54 C ATOM 195 OG1 THR A 15 6.551 -0.329 12.096 1.00 0.34 O ATOM 196 CG2 THR A 15 8.165 -1.998 11.580 1.00 32.31 C ATOM 0 H THR A 15 8.926 -1.125 8.595 1.00 21.34 H new ATOM 0 HA THR A 15 6.538 0.259 9.453 1.00 24.51 H new ATOM 0 HB THR A 15 6.258 -1.802 10.652 1.00 43.54 H new ATOM 0 HG1 THR A 15 6.310 -0.899 12.856 1.00 0.34 H new ATOM 0 HG21 THR A 15 7.805 -2.571 12.434 1.00 32.31 H new ATOM 0 HG22 THR A 15 8.511 -2.681 10.804 1.00 32.31 H new ATOM 0 HG23 THR A 15 8.990 -1.358 11.894 1.00 32.31 H new ATOM 204 N THR A 16 7.989 1.990 10.639 1.00 71.43 N ATOM 205 CA THR A 16 8.868 3.111 11.054 1.00 2.32 C ATOM 206 C THR A 16 8.280 3.857 12.279 1.00 31.12 C ATOM 207 O THR A 16 7.093 3.716 12.586 1.00 2.22 O ATOM 208 CB THR A 16 9.087 4.084 9.864 1.00 52.00 C ATOM 209 OG1 THR A 16 9.328 3.368 8.656 1.00 35.20 O ATOM 210 CG2 THR A 16 10.247 5.059 10.049 1.00 53.54 C ATOM 0 H THR A 16 6.993 2.199 10.712 1.00 71.43 H new ATOM 0 HA THR A 16 9.833 2.701 11.351 1.00 2.32 H new ATOM 0 HB THR A 16 8.162 4.660 9.817 1.00 52.00 H new ATOM 0 HG1 THR A 16 10.128 3.726 8.218 1.00 35.20 H new ATOM 0 HG21 THR A 16 10.327 5.700 9.171 1.00 53.54 H new ATOM 0 HG22 THR A 16 10.069 5.673 10.932 1.00 53.54 H new ATOM 0 HG23 THR A 16 11.175 4.501 10.177 1.00 53.54 H new ATOM 218 N SER A 17 9.136 4.639 12.978 1.00 63.22 N ATOM 219 CA SER A 17 8.745 5.407 14.189 1.00 31.40 C ATOM 220 C SER A 17 7.609 6.436 13.954 1.00 32.45 C ATOM 221 O SER A 17 6.857 6.726 14.891 1.00 61.00 O ATOM 222 CB SER A 17 9.974 6.126 14.777 1.00 50.33 C ATOM 223 OG SER A 17 9.700 6.652 16.067 1.00 21.12 O ATOM 0 H SER A 17 10.116 4.757 12.721 1.00 63.22 H new ATOM 0 HA SER A 17 8.351 4.671 14.890 1.00 31.40 H new ATOM 0 HB2 SER A 17 10.810 5.430 14.837 1.00 50.33 H new ATOM 0 HB3 SER A 17 10.278 6.933 14.111 1.00 50.33 H new ATOM 0 HG SER A 17 10.499 7.101 16.414 1.00 21.12 H new ATOM 229 N GLN A 18 7.489 6.991 12.724 1.00 24.24 N ATOM 230 CA GLN A 18 6.439 7.992 12.408 1.00 43.05 C ATOM 231 C GLN A 18 5.021 7.407 12.603 1.00 3.54 C ATOM 232 O GLN A 18 4.296 7.838 13.506 1.00 3.34 O ATOM 233 CB GLN A 18 6.610 8.542 10.967 1.00 4.01 C ATOM 234 CG GLN A 18 7.666 9.644 10.828 1.00 63.01 C ATOM 235 CD GLN A 18 9.088 9.104 10.699 1.00 30.22 C ATOM 236 OE1 GLN A 18 9.756 8.854 11.703 1.00 52.44 O ATOM 237 NE2 GLN A 18 9.562 8.921 9.464 1.00 64.12 N ATOM 0 H GLN A 18 8.101 6.765 11.939 1.00 24.24 H new ATOM 0 HA GLN A 18 6.557 8.820 13.107 1.00 43.05 H new ATOM 0 HB2 GLN A 18 6.875 7.717 10.306 1.00 4.01 H new ATOM 0 HB3 GLN A 18 5.651 8.930 10.624 1.00 4.01 H new ATOM 0 HG2 GLN A 18 7.435 10.251 9.953 1.00 63.01 H new ATOM 0 HG3 GLN A 18 7.612 10.301 11.696 1.00 63.01 H new ATOM 0 HE21 GLN A 18 8.979 9.139 8.656 1.00 64.12 H new ATOM 0 HE22 GLN A 18 10.507 8.563 9.328 1.00 64.12 H new ATOM 246 N ILE A 19 4.644 6.419 11.764 1.00 74.33 N ATOM 247 CA ILE A 19 3.327 5.756 11.843 1.00 75.42 C ATOM 248 C ILE A 19 3.544 4.223 11.880 1.00 12.42 C ATOM 249 O ILE A 19 3.475 3.557 10.840 1.00 44.20 O ATOM 250 CB ILE A 19 2.386 6.167 10.650 1.00 15.14 C ATOM 251 CG1 ILE A 19 2.245 7.712 10.572 1.00 55.24 C ATOM 252 CG2 ILE A 19 1.001 5.504 10.783 1.00 21.42 C ATOM 253 CD1 ILE A 19 1.604 8.230 9.296 1.00 11.21 C ATOM 0 H ILE A 19 5.240 6.061 11.018 1.00 74.33 H new ATOM 0 HA ILE A 19 2.824 6.080 12.754 1.00 75.42 H new ATOM 0 HB ILE A 19 2.842 5.814 9.725 1.00 15.14 H new ATOM 0 HG12 ILE A 19 1.654 8.052 11.423 1.00 55.24 H new ATOM 0 HG13 ILE A 19 3.234 8.158 10.672 1.00 55.24 H new ATOM 0 HG21 ILE A 19 0.371 5.805 9.946 1.00 21.42 H new ATOM 0 HG22 ILE A 19 1.115 4.420 10.780 1.00 21.42 H new ATOM 0 HG23 ILE A 19 0.536 5.817 11.718 1.00 21.42 H new ATOM 0 HD11 ILE A 19 1.548 9.318 9.333 1.00 11.21 H new ATOM 0 HD12 ILE A 19 2.204 7.926 8.438 1.00 11.21 H new ATOM 0 HD13 ILE A 19 0.599 7.818 9.200 1.00 11.21 H new ATOM 265 N PRO A 20 3.854 3.646 13.083 1.00 25.13 N ATOM 266 CA PRO A 20 4.121 2.201 13.228 1.00 33.35 C ATOM 267 C PRO A 20 2.850 1.325 13.265 1.00 65.10 C ATOM 268 O PRO A 20 1.733 1.825 13.092 1.00 13.45 O ATOM 269 CB PRO A 20 4.892 2.136 14.558 1.00 65.01 C ATOM 270 CG PRO A 20 4.371 3.276 15.362 1.00 50.45 C ATOM 271 CD PRO A 20 4.008 4.360 14.382 1.00 62.02 C ATOM 0 HA PRO A 20 4.666 1.801 12.372 1.00 33.35 H new ATOM 0 HB2 PRO A 20 4.724 1.186 15.065 1.00 65.01 H new ATOM 0 HB3 PRO A 20 5.966 2.226 14.396 1.00 65.01 H new ATOM 0 HG2 PRO A 20 3.501 2.974 15.946 1.00 50.45 H new ATOM 0 HG3 PRO A 20 5.123 3.628 16.069 1.00 50.45 H new ATOM 0 HD2 PRO A 20 3.086 4.864 14.670 1.00 62.02 H new ATOM 0 HD3 PRO A 20 4.785 5.123 14.327 1.00 62.02 H new ATOM 279 N ALA A 21 3.049 0.006 13.491 1.00 2.22 N ATOM 280 CA ALA A 21 1.950 -0.979 13.557 1.00 33.04 C ATOM 281 C ALA A 21 1.016 -0.762 14.767 1.00 61.54 C ATOM 282 O ALA A 21 -0.150 -1.158 14.710 1.00 22.13 O ATOM 283 CB ALA A 21 2.516 -2.400 13.584 1.00 13.35 C ATOM 0 H ALA A 21 3.973 -0.402 13.632 1.00 2.22 H new ATOM 0 HA ALA A 21 1.347 -0.835 12.660 1.00 33.04 H new ATOM 0 HB1 ALA A 21 1.697 -3.117 13.633 1.00 13.35 H new ATOM 0 HB2 ALA A 21 3.099 -2.576 12.680 1.00 13.35 H new ATOM 0 HB3 ALA A 21 3.156 -2.520 14.458 1.00 13.35 H new ATOM 289 N SER A 22 1.530 -0.139 15.858 1.00 44.15 N ATOM 290 CA SER A 22 0.732 0.123 17.082 1.00 64.15 C ATOM 291 C SER A 22 -0.558 0.915 16.781 1.00 11.01 C ATOM 292 O SER A 22 -1.619 0.602 17.333 1.00 23.03 O ATOM 293 CB SER A 22 1.572 0.880 18.125 1.00 2.22 C ATOM 294 OG SER A 22 0.929 0.896 19.391 1.00 73.35 O ATOM 0 H SER A 22 2.494 0.191 15.914 1.00 44.15 H new ATOM 0 HA SER A 22 0.442 -0.848 17.482 1.00 64.15 H new ATOM 0 HB2 SER A 22 2.551 0.410 18.218 1.00 2.22 H new ATOM 0 HB3 SER A 22 1.740 1.903 17.787 1.00 2.22 H new ATOM 0 HG SER A 22 1.486 1.382 20.035 1.00 73.35 H new ATOM 300 N GLU A 23 -0.458 1.931 15.896 1.00 63.43 N ATOM 301 CA GLU A 23 -1.615 2.761 15.507 1.00 10.01 C ATOM 302 C GLU A 23 -2.377 2.126 14.330 1.00 72.24 C ATOM 303 O GLU A 23 -3.612 2.123 14.325 1.00 11.33 O ATOM 304 CB GLU A 23 -1.165 4.193 15.126 1.00 42.01 C ATOM 305 CG GLU A 23 -0.714 5.061 16.306 1.00 63.12 C ATOM 306 CD GLU A 23 -1.872 5.656 17.096 1.00 20.52 C ATOM 307 OE1 GLU A 23 -2.347 4.997 18.045 1.00 71.02 O1- ATOM 308 OE2 GLU A 23 -2.303 6.781 16.762 1.00 61.50 O ATOM 0 H GLU A 23 0.414 2.195 15.438 1.00 63.43 H new ATOM 0 HA GLU A 23 -2.282 2.819 16.367 1.00 10.01 H new ATOM 0 HB2 GLU A 23 -0.345 4.123 14.411 1.00 42.01 H new ATOM 0 HB3 GLU A 23 -1.989 4.695 14.618 1.00 42.01 H new ATOM 0 HG2 GLU A 23 -0.098 4.460 16.975 1.00 63.12 H new ATOM 0 HG3 GLU A 23 -0.085 5.869 15.933 1.00 63.12 H new ATOM 315 N GLN A 24 -1.633 1.599 13.330 1.00 71.53 N ATOM 316 CA GLN A 24 -2.238 0.973 12.139 1.00 54.50 C ATOM 317 C GLN A 24 -2.305 -0.563 12.276 1.00 32.34 C ATOM 318 O GLN A 24 -1.626 -1.298 11.544 1.00 43.31 O ATOM 319 CB GLN A 24 -1.458 1.376 10.866 1.00 45.40 C ATOM 320 CG GLN A 24 -1.486 2.875 10.553 1.00 53.44 C ATOM 321 CD GLN A 24 -2.805 3.339 9.939 1.00 13.05 C ATOM 322 OE1 GLN A 24 -2.949 3.375 8.718 1.00 0.51 O ATOM 323 NE2 GLN A 24 -3.780 3.696 10.781 1.00 5.05 N ATOM 0 H GLN A 24 -0.613 1.597 13.328 1.00 71.53 H new ATOM 0 HA GLN A 24 -3.262 1.337 12.053 1.00 54.50 H new ATOM 0 HB2 GLN A 24 -0.421 1.060 10.975 1.00 45.40 H new ATOM 0 HB3 GLN A 24 -1.869 0.832 10.016 1.00 45.40 H new ATOM 0 HG2 GLN A 24 -1.304 3.434 11.471 1.00 53.44 H new ATOM 0 HG3 GLN A 24 -0.671 3.112 9.868 1.00 53.44 H new ATOM 0 HE21 GLN A 24 -3.625 3.653 11.788 1.00 5.05 H new ATOM 0 HE22 GLN A 24 -4.679 4.011 10.416 1.00 5.05 H new ATOM 332 N GLU A 25 -3.150 -1.039 13.212 1.00 3.14 N ATOM 333 CA GLU A 25 -3.350 -2.480 13.453 1.00 14.44 C ATOM 334 C GLU A 25 -4.848 -2.822 13.297 1.00 43.01 C ATOM 335 O GLU A 25 -5.562 -3.047 14.283 1.00 15.10 O ATOM 336 CB GLU A 25 -2.803 -2.880 14.856 1.00 20.30 C ATOM 337 CG GLU A 25 -1.650 -3.888 14.822 1.00 41.33 C ATOM 338 CD GLU A 25 -2.109 -5.321 14.595 1.00 63.41 C ATOM 339 OE1 GLU A 25 -2.403 -6.016 15.590 1.00 51.10 O ATOM 340 OE2 GLU A 25 -2.175 -5.746 13.421 1.00 52.52 O1- ATOM 0 H GLU A 25 -3.709 -0.439 13.818 1.00 3.14 H new ATOM 0 HA GLU A 25 -2.791 -3.058 12.717 1.00 14.44 H new ATOM 0 HB2 GLU A 25 -2.468 -1.980 15.372 1.00 20.30 H new ATOM 0 HB3 GLU A 25 -3.619 -3.299 15.445 1.00 20.30 H new ATOM 0 HG2 GLU A 25 -0.954 -3.607 14.031 1.00 41.33 H new ATOM 0 HG3 GLU A 25 -1.102 -3.834 15.763 1.00 41.33 H new ATOM 347 N THR A 26 -5.318 -2.828 12.033 1.00 54.55 N ATOM 348 CA THR A 26 -6.729 -3.110 11.705 1.00 71.03 C ATOM 349 C THR A 26 -6.832 -4.036 10.477 1.00 61.43 C ATOM 350 O THR A 26 -6.012 -3.947 9.558 1.00 14.51 O ATOM 351 CB THR A 26 -7.488 -1.783 11.444 1.00 31.04 C ATOM 352 OG1 THR A 26 -7.113 -0.777 12.383 1.00 70.45 O ATOM 353 CG2 THR A 26 -9.004 -1.914 11.493 1.00 14.25 C ATOM 0 H THR A 26 -4.735 -2.639 11.218 1.00 54.55 H new ATOM 0 HA THR A 26 -7.186 -3.620 12.553 1.00 71.03 H new ATOM 0 HB THR A 26 -7.201 -1.504 10.430 1.00 31.04 H new ATOM 0 HG1 THR A 26 -7.606 0.048 12.193 1.00 70.45 H new ATOM 0 HG21 THR A 26 -9.460 -0.943 11.301 1.00 14.25 H new ATOM 0 HG22 THR A 26 -9.332 -2.625 10.735 1.00 14.25 H new ATOM 0 HG23 THR A 26 -9.307 -2.268 12.478 1.00 14.25 H new ATOM 361 N LEU A 27 -7.857 -4.912 10.465 1.00 33.42 N ATOM 362 CA LEU A 27 -8.086 -5.850 9.346 1.00 73.51 C ATOM 363 C LEU A 27 -8.787 -5.135 8.175 1.00 63.12 C ATOM 364 O LEU A 27 -9.654 -4.284 8.396 1.00 4.11 O ATOM 365 CB LEU A 27 -8.930 -7.069 9.817 1.00 52.12 C ATOM 366 CG LEU A 27 -8.154 -8.268 10.427 1.00 21.42 C ATOM 367 CD1 LEU A 27 -7.300 -8.978 9.372 1.00 24.33 C ATOM 368 CD2 LEU A 27 -7.299 -7.840 11.626 1.00 0.43 C ATOM 0 H LEU A 27 -8.540 -4.990 11.218 1.00 33.42 H new ATOM 0 HA LEU A 27 -7.117 -6.212 9.001 1.00 73.51 H new ATOM 0 HB2 LEU A 27 -9.649 -6.718 10.558 1.00 52.12 H new ATOM 0 HB3 LEU A 27 -9.503 -7.434 8.965 1.00 52.12 H new ATOM 0 HG LEU A 27 -8.898 -8.978 10.789 1.00 21.42 H new ATOM 0 HD11 LEU A 27 -6.771 -9.812 9.833 1.00 24.33 H new ATOM 0 HD12 LEU A 27 -7.943 -9.352 8.575 1.00 24.33 H new ATOM 0 HD13 LEU A 27 -6.578 -8.276 8.956 1.00 24.33 H new ATOM 0 HD21 LEU A 27 -6.772 -8.707 12.025 1.00 0.43 H new ATOM 0 HD22 LEU A 27 -6.575 -7.090 11.307 1.00 0.43 H new ATOM 0 HD23 LEU A 27 -7.942 -7.419 12.399 1.00 0.43 H new ATOM 380 N VAL A 28 -8.397 -5.487 6.932 1.00 62.13 N ATOM 381 CA VAL A 28 -8.974 -4.887 5.711 1.00 75.33 C ATOM 382 C VAL A 28 -9.562 -5.973 4.786 1.00 2.54 C ATOM 383 O VAL A 28 -9.051 -7.097 4.743 1.00 21.43 O ATOM 384 CB VAL A 28 -7.929 -4.018 4.928 1.00 13.44 C ATOM 385 CG1 VAL A 28 -7.515 -2.792 5.747 1.00 2.23 C ATOM 386 CG2 VAL A 28 -6.691 -4.827 4.510 1.00 44.04 C ATOM 0 H VAL A 28 -7.680 -6.189 6.747 1.00 62.13 H new ATOM 0 HA VAL A 28 -9.778 -4.226 6.035 1.00 75.33 H new ATOM 0 HB VAL A 28 -8.420 -3.683 4.015 1.00 13.44 H new ATOM 0 HG11 VAL A 28 -6.790 -2.205 5.183 1.00 2.23 H new ATOM 0 HG12 VAL A 28 -8.393 -2.180 5.956 1.00 2.23 H new ATOM 0 HG13 VAL A 28 -7.067 -3.116 6.686 1.00 2.23 H new ATOM 0 HG21 VAL A 28 -5.998 -4.180 3.971 1.00 44.04 H new ATOM 0 HG22 VAL A 28 -6.200 -5.225 5.398 1.00 44.04 H new ATOM 0 HG23 VAL A 28 -6.996 -5.650 3.864 1.00 44.04 H new ATOM 396 N ARG A 29 -10.642 -5.622 4.056 1.00 74.34 N ATOM 397 CA ARG A 29 -11.322 -6.554 3.132 1.00 30.25 C ATOM 398 C ARG A 29 -11.115 -6.126 1.661 1.00 1.44 C ATOM 399 O ARG A 29 -10.902 -4.938 1.391 1.00 63.51 O ATOM 400 CB ARG A 29 -12.824 -6.629 3.472 1.00 34.11 C ATOM 401 CG ARG A 29 -13.113 -7.271 4.834 1.00 71.00 C ATOM 402 CD ARG A 29 -14.601 -7.253 5.191 1.00 33.11 C ATOM 403 NE ARG A 29 -15.339 -8.376 4.583 1.00 50.33 N ATOM 404 CZ ARG A 29 -15.422 -9.632 5.085 1.00 75.24 C ATOM 405 NH1 ARG A 29 -14.806 -9.978 6.226 1.00 5.32 N1+ ATOM 406 NH2 ARG A 29 -16.131 -10.553 4.429 1.00 72.40 N ATOM 0 H ARG A 29 -11.064 -4.694 4.090 1.00 74.34 H new ATOM 0 HA ARG A 29 -10.883 -7.544 3.254 1.00 30.25 H new ATOM 0 HB2 ARG A 29 -13.242 -5.622 3.458 1.00 34.11 H new ATOM 0 HB3 ARG A 29 -13.336 -7.198 2.696 1.00 34.11 H new ATOM 0 HG2 ARG A 29 -12.757 -8.301 4.828 1.00 71.00 H new ATOM 0 HG3 ARG A 29 -12.552 -6.744 5.606 1.00 71.00 H new ATOM 0 HD2 ARG A 29 -14.712 -7.293 6.275 1.00 33.11 H new ATOM 0 HD3 ARG A 29 -15.040 -6.312 4.860 1.00 33.11 H new ATOM 0 HE ARG A 29 -15.830 -8.191 3.708 1.00 50.33 H new ATOM 0 HH11 ARG A 29 -14.258 -9.288 6.739 1.00 5.32 H new ATOM 0 HH12 ARG A 29 -14.886 -10.931 6.580 1.00 5.32 H new ATOM 0 HH21 ARG A 29 -16.604 -10.308 3.559 1.00 72.40 H new ATOM 0 HH22 ARG A 29 -16.200 -11.501 4.798 1.00 72.40 H new ATOM 420 N PRO A 30 -11.162 -7.088 0.680 1.00 24.31 N ATOM 421 CA PRO A 30 -10.961 -6.779 -0.749 1.00 1.22 C ATOM 422 C PRO A 30 -12.229 -6.231 -1.449 1.00 32.44 C ATOM 423 O PRO A 30 -13.146 -6.990 -1.785 1.00 11.21 O ATOM 424 CB PRO A 30 -10.531 -8.136 -1.326 1.00 70.20 C ATOM 425 CG PRO A 30 -11.234 -9.150 -0.487 1.00 73.03 C ATOM 426 CD PRO A 30 -11.393 -8.543 0.887 1.00 33.14 C ATOM 0 HA PRO A 30 -10.233 -5.982 -0.901 1.00 1.22 H new ATOM 0 HB2 PRO A 30 -10.813 -8.227 -2.375 1.00 70.20 H new ATOM 0 HB3 PRO A 30 -9.450 -8.262 -1.275 1.00 70.20 H new ATOM 0 HG2 PRO A 30 -12.205 -9.400 -0.914 1.00 73.03 H new ATOM 0 HG3 PRO A 30 -10.660 -10.076 -0.437 1.00 73.03 H new ATOM 0 HD2 PRO A 30 -12.387 -8.733 1.293 1.00 33.14 H new ATOM 0 HD3 PRO A 30 -10.675 -8.963 1.592 1.00 33.14 H new ATOM 434 N LYS A 31 -12.254 -4.901 -1.672 1.00 50.44 N ATOM 435 CA LYS A 31 -13.381 -4.213 -2.345 1.00 43.03 C ATOM 436 C LYS A 31 -12.956 -2.819 -2.896 1.00 51.13 C ATOM 437 O LYS A 31 -13.132 -2.576 -4.094 1.00 75.22 O ATOM 438 CB LYS A 31 -14.623 -4.096 -1.416 1.00 65.11 C ATOM 439 CG LYS A 31 -15.958 -4.416 -2.108 1.00 53.13 C ATOM 440 CD LYS A 31 -17.163 -3.764 -1.410 1.00 61.03 C ATOM 441 CE LYS A 31 -17.759 -4.645 -0.308 1.00 65.40 C ATOM 442 NZ LYS A 31 -16.908 -4.692 0.920 1.00 33.53 N1+ ATOM 0 H LYS A 31 -11.499 -4.274 -1.393 1.00 50.44 H new ATOM 0 HA LYS A 31 -13.667 -4.830 -3.197 1.00 43.03 H new ATOM 0 HB2 LYS A 31 -14.494 -4.770 -0.569 1.00 65.11 H new ATOM 0 HB3 LYS A 31 -14.668 -3.084 -1.014 1.00 65.11 H new ATOM 0 HG2 LYS A 31 -15.916 -4.076 -3.143 1.00 53.13 H new ATOM 0 HG3 LYS A 31 -16.099 -5.497 -2.133 1.00 53.13 H new ATOM 0 HD2 LYS A 31 -16.856 -2.811 -0.980 1.00 61.03 H new ATOM 0 HD3 LYS A 31 -17.932 -3.547 -2.151 1.00 61.03 H new ATOM 0 HE2 LYS A 31 -18.748 -4.270 -0.045 1.00 65.40 H new ATOM 0 HE3 LYS A 31 -17.893 -5.657 -0.691 1.00 65.40 H new ATOM 0 HZ1 LYS A 31 -17.475 -5.033 1.722 1.00 33.53 H new ATOM 0 HZ2 LYS A 31 -16.107 -5.337 0.763 1.00 33.53 H new ATOM 0 HZ3 LYS A 31 -16.549 -3.739 1.130 1.00 33.53 H new ATOM 456 N PRO A 32 -12.399 -1.871 -2.049 1.00 53.15 N ATOM 457 CA PRO A 32 -11.975 -0.516 -2.515 1.00 64.41 C ATOM 458 C PRO A 32 -10.893 -0.524 -3.633 1.00 55.44 C ATOM 459 O PRO A 32 -10.577 -1.575 -4.197 1.00 40.01 O ATOM 460 CB PRO A 32 -11.435 0.157 -1.235 1.00 44.51 C ATOM 461 CG PRO A 32 -12.046 -0.601 -0.113 1.00 1.25 C ATOM 462 CD PRO A 32 -12.155 -2.018 -0.590 1.00 53.51 C ATOM 0 HA PRO A 32 -12.811 0.007 -2.979 1.00 64.41 H new ATOM 0 HB2 PRO A 32 -10.347 0.112 -1.195 1.00 44.51 H new ATOM 0 HB3 PRO A 32 -11.712 1.210 -1.196 1.00 44.51 H new ATOM 0 HG2 PRO A 32 -11.430 -0.536 0.784 1.00 1.25 H new ATOM 0 HG3 PRO A 32 -13.026 -0.198 0.144 1.00 1.25 H new ATOM 0 HD2 PRO A 32 -11.243 -2.581 -0.390 1.00 53.51 H new ATOM 0 HD3 PRO A 32 -12.971 -2.547 -0.097 1.00 53.51 H new ATOM 470 N LEU A 33 -10.352 0.676 -3.957 1.00 71.32 N ATOM 471 CA LEU A 33 -9.330 0.849 -5.019 1.00 71.01 C ATOM 472 C LEU A 33 -7.881 0.693 -4.495 1.00 40.14 C ATOM 473 O LEU A 33 -7.021 0.190 -5.225 1.00 53.41 O ATOM 474 CB LEU A 33 -9.519 2.244 -5.689 1.00 40.12 C ATOM 475 CG LEU A 33 -9.035 2.432 -7.158 1.00 21.23 C ATOM 476 CD1 LEU A 33 -7.508 2.527 -7.254 1.00 44.12 C ATOM 477 CD2 LEU A 33 -9.576 1.339 -8.086 1.00 53.11 C ATOM 0 H LEU A 33 -10.610 1.547 -3.492 1.00 71.32 H new ATOM 0 HA LEU A 33 -9.477 0.055 -5.751 1.00 71.01 H new ATOM 0 HB2 LEU A 33 -10.581 2.487 -5.656 1.00 40.12 H new ATOM 0 HB3 LEU A 33 -9.004 2.981 -5.073 1.00 40.12 H new ATOM 0 HG LEU A 33 -9.445 3.384 -7.497 1.00 21.23 H new ATOM 0 HD11 LEU A 33 -7.216 2.657 -8.296 1.00 44.12 H new ATOM 0 HD12 LEU A 33 -7.159 3.379 -6.670 1.00 44.12 H new ATOM 0 HD13 LEU A 33 -7.061 1.612 -6.864 1.00 44.12 H new ATOM 0 HD21 LEU A 33 -9.213 1.510 -9.100 1.00 53.11 H new ATOM 0 HD22 LEU A 33 -9.234 0.364 -7.738 1.00 53.11 H new ATOM 0 HD23 LEU A 33 -10.666 1.364 -8.082 1.00 53.11 H new ATOM 489 N LEU A 34 -7.607 1.142 -3.248 1.00 52.20 N ATOM 490 CA LEU A 34 -6.245 1.074 -2.647 1.00 54.40 C ATOM 491 C LEU A 34 -5.638 -0.351 -2.674 1.00 20.41 C ATOM 492 O LEU A 34 -4.500 -0.528 -3.120 1.00 52.11 O ATOM 493 CB LEU A 34 -6.261 1.619 -1.190 1.00 33.03 C ATOM 494 CG LEU A 34 -4.992 2.366 -0.698 1.00 23.35 C ATOM 495 CD1 LEU A 34 -3.724 1.522 -0.866 1.00 53.04 C ATOM 496 CD2 LEU A 34 -4.844 3.725 -1.393 1.00 1.32 C ATOM 0 H LEU A 34 -8.309 1.556 -2.634 1.00 52.20 H new ATOM 0 HA LEU A 34 -5.606 1.703 -3.266 1.00 54.40 H new ATOM 0 HB2 LEU A 34 -7.110 2.295 -1.091 1.00 33.03 H new ATOM 0 HB3 LEU A 34 -6.441 0.780 -0.518 1.00 33.03 H new ATOM 0 HG LEU A 34 -5.121 2.543 0.370 1.00 23.35 H new ATOM 0 HD11 LEU A 34 -2.862 2.085 -0.509 1.00 53.04 H new ATOM 0 HD12 LEU A 34 -3.820 0.602 -0.290 1.00 53.04 H new ATOM 0 HD13 LEU A 34 -3.586 1.278 -1.919 1.00 53.04 H new ATOM 0 HD21 LEU A 34 -3.947 4.225 -1.028 1.00 1.32 H new ATOM 0 HD22 LEU A 34 -4.764 3.576 -2.470 1.00 1.32 H new ATOM 0 HD23 LEU A 34 -5.716 4.342 -1.176 1.00 1.32 H new ATOM 508 N LEU A 35 -6.399 -1.356 -2.194 1.00 44.22 N ATOM 509 CA LEU A 35 -5.926 -2.765 -2.162 1.00 14.41 C ATOM 510 C LEU A 35 -5.994 -3.474 -3.542 1.00 32.11 C ATOM 511 O LEU A 35 -5.501 -4.599 -3.672 1.00 0.31 O ATOM 512 CB LEU A 35 -6.658 -3.617 -1.075 1.00 14.42 C ATOM 513 CG LEU A 35 -8.203 -3.476 -0.900 1.00 54.22 C ATOM 514 CD1 LEU A 35 -8.567 -2.331 0.060 1.00 4.23 C ATOM 515 CD2 LEU A 35 -8.940 -3.342 -2.245 1.00 42.55 C ATOM 0 H LEU A 35 -7.340 -1.224 -1.824 1.00 44.22 H new ATOM 0 HA LEU A 35 -4.873 -2.697 -1.890 1.00 14.41 H new ATOM 0 HB2 LEU A 35 -6.447 -4.666 -1.285 1.00 14.42 H new ATOM 0 HB3 LEU A 35 -6.198 -3.386 -0.114 1.00 14.42 H new ATOM 0 HG LEU A 35 -8.547 -4.406 -0.447 1.00 54.22 H new ATOM 0 HD11 LEU A 35 -9.651 -2.266 0.155 1.00 4.23 H new ATOM 0 HD12 LEU A 35 -8.128 -2.524 1.039 1.00 4.23 H new ATOM 0 HD13 LEU A 35 -8.180 -1.390 -0.332 1.00 4.23 H new ATOM 0 HD21 LEU A 35 -10.011 -3.247 -2.065 1.00 42.55 H new ATOM 0 HD22 LEU A 35 -8.580 -2.457 -2.770 1.00 42.55 H new ATOM 0 HD23 LEU A 35 -8.751 -4.227 -2.853 1.00 42.55 H new ATOM 527 N LYS A 36 -6.579 -2.816 -4.572 1.00 44.43 N ATOM 528 CA LYS A 36 -6.671 -3.397 -5.932 1.00 10.42 C ATOM 529 C LYS A 36 -5.284 -3.445 -6.621 1.00 13.14 C ATOM 530 O LYS A 36 -5.053 -4.293 -7.488 1.00 20.25 O ATOM 531 CB LYS A 36 -7.673 -2.597 -6.800 1.00 63.31 C ATOM 532 CG LYS A 36 -8.473 -3.451 -7.792 1.00 23.41 C ATOM 533 CD LYS A 36 -9.188 -2.604 -8.857 1.00 73.40 C ATOM 534 CE LYS A 36 -8.282 -2.281 -10.048 1.00 2.10 C ATOM 535 NZ LYS A 36 -9.015 -1.584 -11.147 1.00 11.30 N1+ ATOM 0 H LYS A 36 -6.992 -1.887 -4.487 1.00 44.43 H new ATOM 0 HA LYS A 36 -7.032 -4.420 -5.830 1.00 10.42 H new ATOM 0 HB2 LYS A 36 -8.370 -2.076 -6.143 1.00 63.31 H new ATOM 0 HB3 LYS A 36 -7.127 -1.834 -7.354 1.00 63.31 H new ATOM 0 HG2 LYS A 36 -7.802 -4.155 -8.283 1.00 23.41 H new ATOM 0 HG3 LYS A 36 -9.210 -4.041 -7.247 1.00 23.41 H new ATOM 0 HD2 LYS A 36 -10.071 -3.137 -9.209 1.00 73.40 H new ATOM 0 HD3 LYS A 36 -9.536 -1.675 -8.406 1.00 73.40 H new ATOM 0 HE2 LYS A 36 -7.455 -1.656 -9.713 1.00 2.10 H new ATOM 0 HE3 LYS A 36 -7.848 -3.204 -10.432 1.00 2.10 H new ATOM 0 HZ1 LYS A 36 -8.360 -1.387 -11.930 1.00 11.30 H new ATOM 0 HZ2 LYS A 36 -9.789 -2.190 -11.487 1.00 11.30 H new ATOM 0 HZ3 LYS A 36 -9.407 -0.689 -10.790 1.00 11.30 H new ATOM 549 N LEU A 37 -4.367 -2.532 -6.216 1.00 11.40 N ATOM 550 CA LEU A 37 -2.999 -2.464 -6.771 1.00 74.21 C ATOM 551 C LEU A 37 -2.158 -3.670 -6.310 1.00 75.22 C ATOM 552 O LEU A 37 -1.570 -4.370 -7.140 1.00 74.33 O ATOM 553 CB LEU A 37 -2.324 -1.134 -6.344 1.00 41.03 C ATOM 554 CG LEU A 37 -0.936 -0.821 -6.969 1.00 50.01 C ATOM 555 CD1 LEU A 37 -0.741 0.687 -7.132 1.00 64.11 C ATOM 556 CD2 LEU A 37 0.207 -1.417 -6.133 1.00 64.51 C ATOM 0 H LEU A 37 -4.556 -1.829 -5.501 1.00 11.40 H new ATOM 0 HA LEU A 37 -3.062 -2.497 -7.859 1.00 74.21 H new ATOM 0 HB2 LEU A 37 -3.000 -0.315 -6.591 1.00 41.03 H new ATOM 0 HB3 LEU A 37 -2.215 -1.141 -5.260 1.00 41.03 H new ATOM 0 HG LEU A 37 -0.911 -1.287 -7.954 1.00 50.01 H new ATOM 0 HD11 LEU A 37 0.237 0.882 -7.571 1.00 64.11 H new ATOM 0 HD12 LEU A 37 -1.518 1.086 -7.784 1.00 64.11 H new ATOM 0 HD13 LEU A 37 -0.803 1.169 -6.157 1.00 64.11 H new ATOM 0 HD21 LEU A 37 1.162 -1.178 -6.600 1.00 64.51 H new ATOM 0 HD22 LEU A 37 0.180 -0.997 -5.128 1.00 64.51 H new ATOM 0 HD23 LEU A 37 0.091 -2.499 -6.077 1.00 64.51 H new ATOM 568 N LEU A 38 -2.109 -3.901 -4.978 1.00 22.22 N ATOM 569 CA LEU A 38 -1.336 -5.025 -4.389 1.00 14.32 C ATOM 570 C LEU A 38 -1.929 -6.409 -4.746 1.00 34.14 C ATOM 571 O LEU A 38 -1.216 -7.415 -4.678 1.00 13.13 O ATOM 572 CB LEU A 38 -1.166 -4.892 -2.849 1.00 35.13 C ATOM 573 CG LEU A 38 -2.358 -4.299 -2.045 1.00 14.30 C ATOM 574 CD1 LEU A 38 -2.614 -5.092 -0.758 1.00 72.20 C ATOM 575 CD2 LEU A 38 -2.113 -2.817 -1.727 1.00 24.24 C ATOM 0 H LEU A 38 -2.594 -3.326 -4.289 1.00 22.22 H new ATOM 0 HA LEU A 38 -0.347 -4.960 -4.842 1.00 14.32 H new ATOM 0 HB2 LEU A 38 -0.948 -5.882 -2.448 1.00 35.13 H new ATOM 0 HB3 LEU A 38 -0.290 -4.272 -2.659 1.00 35.13 H new ATOM 0 HG LEU A 38 -3.250 -4.377 -2.667 1.00 14.30 H new ATOM 0 HD11 LEU A 38 -3.453 -4.651 -0.220 1.00 72.20 H new ATOM 0 HD12 LEU A 38 -2.847 -6.127 -1.009 1.00 72.20 H new ATOM 0 HD13 LEU A 38 -1.724 -5.062 -0.129 1.00 72.20 H new ATOM 0 HD21 LEU A 38 -2.958 -2.421 -1.164 1.00 24.24 H new ATOM 0 HD22 LEU A 38 -1.204 -2.718 -1.134 1.00 24.24 H new ATOM 0 HD23 LEU A 38 -2.003 -2.259 -2.657 1.00 24.24 H new ATOM 587 N LYS A 39 -3.216 -6.457 -5.154 1.00 42.02 N ATOM 588 CA LYS A 39 -3.870 -7.721 -5.551 1.00 12.24 C ATOM 589 C LYS A 39 -3.314 -8.253 -6.900 1.00 55.23 C ATOM 590 O LYS A 39 -3.445 -9.447 -7.190 1.00 13.22 O ATOM 591 CB LYS A 39 -5.401 -7.524 -5.639 1.00 24.12 C ATOM 592 CG LYS A 39 -6.209 -8.826 -5.763 1.00 74.43 C ATOM 593 CD LYS A 39 -7.638 -8.695 -5.214 1.00 33.41 C ATOM 594 CE LYS A 39 -8.546 -7.832 -6.100 1.00 14.30 C ATOM 595 NZ LYS A 39 -8.972 -8.534 -7.349 1.00 3.13 N1+ ATOM 0 H LYS A 39 -3.820 -5.637 -5.217 1.00 42.02 H new ATOM 0 HA LYS A 39 -3.649 -8.466 -4.787 1.00 12.24 H new ATOM 0 HB2 LYS A 39 -5.736 -6.987 -4.752 1.00 24.12 H new ATOM 0 HB3 LYS A 39 -5.624 -6.891 -6.498 1.00 24.12 H new ATOM 0 HG2 LYS A 39 -6.253 -9.122 -6.811 1.00 74.43 H new ATOM 0 HG3 LYS A 39 -5.691 -9.622 -5.228 1.00 74.43 H new ATOM 0 HD2 LYS A 39 -8.075 -9.689 -5.115 1.00 33.41 H new ATOM 0 HD3 LYS A 39 -7.599 -8.263 -4.214 1.00 33.41 H new ATOM 0 HE2 LYS A 39 -9.430 -7.541 -5.532 1.00 14.30 H new ATOM 0 HE3 LYS A 39 -8.021 -6.914 -6.365 1.00 14.30 H new ATOM 0 HZ1 LYS A 39 -9.583 -7.906 -7.909 1.00 3.13 H new ATOM 0 HZ2 LYS A 39 -8.133 -8.789 -7.907 1.00 3.13 H new ATOM 0 HZ3 LYS A 39 -9.497 -9.396 -7.101 1.00 3.13 H new ATOM 609 N SER A 40 -2.693 -7.361 -7.713 1.00 1.34 N ATOM 610 CA SER A 40 -2.117 -7.732 -9.020 1.00 2.01 C ATOM 611 C SER A 40 -0.599 -8.008 -8.937 1.00 3.43 C ATOM 612 O SER A 40 -0.083 -8.818 -9.714 1.00 60.24 O ATOM 613 CB SER A 40 -2.378 -6.617 -10.050 1.00 40.14 C ATOM 614 OG SER A 40 -3.756 -6.292 -10.122 1.00 41.21 O ATOM 0 H SER A 40 -2.581 -6.375 -7.479 1.00 1.34 H new ATOM 0 HA SER A 40 -2.606 -8.654 -9.333 1.00 2.01 H new ATOM 0 HB2 SER A 40 -1.807 -5.729 -9.780 1.00 40.14 H new ATOM 0 HB3 SER A 40 -2.026 -6.936 -11.031 1.00 40.14 H new ATOM 0 HG SER A 40 -3.890 -5.581 -10.782 1.00 41.21 H new ATOM 620 N VAL A 41 0.120 -7.321 -8.017 1.00 40.23 N ATOM 621 CA VAL A 41 1.587 -7.491 -7.878 1.00 44.31 C ATOM 622 C VAL A 41 1.981 -8.871 -7.300 1.00 21.12 C ATOM 623 O VAL A 41 2.943 -9.482 -7.776 1.00 74.43 O ATOM 624 CB VAL A 41 2.256 -6.337 -7.044 1.00 51.40 C ATOM 625 CG1 VAL A 41 1.864 -4.962 -7.595 1.00 32.14 C ATOM 626 CG2 VAL A 41 1.936 -6.424 -5.542 1.00 32.33 C ATOM 0 H VAL A 41 -0.287 -6.650 -7.366 1.00 40.23 H new ATOM 0 HA VAL A 41 1.975 -7.436 -8.895 1.00 44.31 H new ATOM 0 HB VAL A 41 3.333 -6.467 -7.149 1.00 51.40 H new ATOM 0 HG11 VAL A 41 2.340 -4.182 -7.000 1.00 32.14 H new ATOM 0 HG12 VAL A 41 2.191 -4.879 -8.631 1.00 32.14 H new ATOM 0 HG13 VAL A 41 0.781 -4.846 -7.546 1.00 32.14 H new ATOM 0 HG21 VAL A 41 2.424 -5.602 -5.018 1.00 32.33 H new ATOM 0 HG22 VAL A 41 0.858 -6.358 -5.395 1.00 32.33 H new ATOM 0 HG23 VAL A 41 2.299 -7.373 -5.147 1.00 32.33 H new ATOM 636 N GLY A 42 1.240 -9.351 -6.280 1.00 23.50 N ATOM 637 CA GLY A 42 1.540 -10.649 -5.668 1.00 54.44 C ATOM 638 C GLY A 42 0.918 -10.825 -4.286 1.00 54.33 C ATOM 639 O GLY A 42 1.630 -11.140 -3.326 1.00 2.15 O ATOM 0 H GLY A 42 0.442 -8.863 -5.872 1.00 23.50 H new ATOM 0 HA2 GLY A 42 1.182 -11.443 -6.323 1.00 54.44 H new ATOM 0 HA3 GLY A 42 2.621 -10.764 -5.589 1.00 54.44 H new ATOM 643 N ALA A 43 -0.413 -10.627 -4.189 1.00 63.34 N ATOM 644 CA ALA A 43 -1.149 -10.770 -2.920 1.00 65.42 C ATOM 645 C ALA A 43 -2.496 -11.478 -3.150 1.00 43.03 C ATOM 646 O ALA A 43 -3.538 -10.825 -3.299 1.00 25.13 O ATOM 647 CB ALA A 43 -1.348 -9.405 -2.255 1.00 13.44 C ATOM 0 H ALA A 43 -1.001 -10.366 -4.981 1.00 63.34 H new ATOM 0 HA ALA A 43 -0.557 -11.389 -2.246 1.00 65.42 H new ATOM 0 HB1 ALA A 43 -1.893 -9.532 -1.320 1.00 13.44 H new ATOM 0 HB2 ALA A 43 -0.377 -8.955 -2.050 1.00 13.44 H new ATOM 0 HB3 ALA A 43 -1.916 -8.755 -2.921 1.00 13.44 H new ATOM 653 N GLN A 44 -2.459 -12.825 -3.185 1.00 40.04 N ATOM 654 CA GLN A 44 -3.662 -13.650 -3.401 1.00 63.35 C ATOM 655 C GLN A 44 -4.073 -14.342 -2.087 1.00 23.02 C ATOM 656 O GLN A 44 -3.771 -15.523 -1.870 1.00 12.42 O ATOM 657 CB GLN A 44 -3.408 -14.690 -4.520 1.00 64.30 C ATOM 658 CG GLN A 44 -3.000 -14.092 -5.872 1.00 65.32 C ATOM 659 CD GLN A 44 -4.169 -13.486 -6.644 1.00 25.43 C ATOM 660 OE1 GLN A 44 -4.783 -14.155 -7.475 1.00 71.31 O ATOM 661 NE2 GLN A 44 -4.483 -12.215 -6.379 1.00 11.53 N ATOM 0 H GLN A 44 -1.603 -13.366 -3.066 1.00 40.04 H new ATOM 0 HA GLN A 44 -4.481 -13.005 -3.719 1.00 63.35 H new ATOM 0 HB2 GLN A 44 -2.626 -15.374 -4.190 1.00 64.30 H new ATOM 0 HB3 GLN A 44 -4.312 -15.282 -4.658 1.00 64.30 H new ATOM 0 HG2 GLN A 44 -2.245 -13.323 -5.708 1.00 65.32 H new ATOM 0 HG3 GLN A 44 -2.537 -14.869 -6.480 1.00 65.32 H new ATOM 0 HE21 GLN A 44 -3.951 -11.693 -5.683 1.00 11.53 H new ATOM 0 HE22 GLN A 44 -5.255 -11.767 -6.872 1.00 11.53 H new ATOM 670 N LYS A 45 -4.753 -13.581 -1.205 1.00 31.01 N ATOM 671 CA LYS A 45 -5.208 -14.086 0.109 1.00 34.44 C ATOM 672 C LYS A 45 -6.685 -13.723 0.365 1.00 5.21 C ATOM 673 O LYS A 45 -7.279 -12.945 -0.389 1.00 25.11 O ATOM 674 CB LYS A 45 -4.319 -13.504 1.234 1.00 22.31 C ATOM 675 CG LYS A 45 -2.898 -14.086 1.292 1.00 25.01 C ATOM 676 CD LYS A 45 -2.808 -15.351 2.159 1.00 31.23 C ATOM 677 CE LYS A 45 -2.661 -15.036 3.652 1.00 73.13 C ATOM 678 NZ LYS A 45 -1.287 -14.566 4.009 1.00 32.41 N1+ ATOM 0 H LYS A 45 -5.001 -12.607 -1.380 1.00 31.01 H new ATOM 0 HA LYS A 45 -5.122 -15.173 0.104 1.00 34.44 H new ATOM 0 HB2 LYS A 45 -4.250 -12.424 1.103 1.00 22.31 H new ATOM 0 HB3 LYS A 45 -4.808 -13.678 2.192 1.00 22.31 H new ATOM 0 HG2 LYS A 45 -2.564 -14.319 0.281 1.00 25.01 H new ATOM 0 HG3 LYS A 45 -2.217 -13.332 1.686 1.00 25.01 H new ATOM 0 HD2 LYS A 45 -3.702 -15.956 2.006 1.00 31.23 H new ATOM 0 HD3 LYS A 45 -1.958 -15.950 1.833 1.00 31.23 H new ATOM 0 HE2 LYS A 45 -3.386 -14.272 3.931 1.00 73.13 H new ATOM 0 HE3 LYS A 45 -2.898 -15.928 4.233 1.00 73.13 H new ATOM 0 HZ1 LYS A 45 -1.242 -14.367 5.029 1.00 32.41 H new ATOM 0 HZ2 LYS A 45 -0.594 -15.304 3.769 1.00 32.41 H new ATOM 0 HZ3 LYS A 45 -1.067 -13.699 3.477 1.00 32.41 H new ATOM 692 N ASP A 46 -7.267 -14.290 1.445 1.00 75.53 N ATOM 693 CA ASP A 46 -8.674 -14.029 1.820 1.00 21.32 C ATOM 694 C ASP A 46 -8.829 -12.623 2.433 1.00 51.44 C ATOM 695 O ASP A 46 -9.617 -11.815 1.932 1.00 35.32 O ATOM 696 CB ASP A 46 -9.192 -15.099 2.810 1.00 63.24 C ATOM 697 CG ASP A 46 -9.399 -16.461 2.165 1.00 70.41 C ATOM 698 OD1 ASP A 46 -8.393 -17.157 1.907 1.00 52.10 O1- ATOM 699 OD2 ASP A 46 -10.567 -16.832 1.924 1.00 65.31 O ATOM 0 H ASP A 46 -6.783 -14.932 2.073 1.00 75.53 H new ATOM 0 HA ASP A 46 -9.272 -14.080 0.910 1.00 21.32 H new ATOM 0 HB2 ASP A 46 -8.483 -15.197 3.632 1.00 63.24 H new ATOM 0 HB3 ASP A 46 -10.135 -14.761 3.240 1.00 63.24 H new ATOM 704 N THR A 47 -8.071 -12.341 3.516 1.00 12.23 N ATOM 705 CA THR A 47 -8.117 -11.033 4.201 1.00 53.10 C ATOM 706 C THR A 47 -6.710 -10.609 4.657 1.00 43.31 C ATOM 707 O THR A 47 -5.966 -11.423 5.216 1.00 71.42 O ATOM 708 CB THR A 47 -9.078 -11.080 5.411 1.00 34.00 C ATOM 709 OG1 THR A 47 -8.800 -12.198 6.242 1.00 32.14 O ATOM 710 CG2 THR A 47 -10.546 -11.156 5.022 1.00 24.12 C ATOM 0 H THR A 47 -7.419 -13.005 3.934 1.00 12.23 H new ATOM 0 HA THR A 47 -8.491 -10.295 3.491 1.00 53.10 H new ATOM 0 HB THR A 47 -8.906 -10.142 5.938 1.00 34.00 H new ATOM 0 HG1 THR A 47 -9.420 -12.204 7.001 1.00 32.14 H new ATOM 0 HG21 THR A 47 -11.160 -11.186 5.922 1.00 24.12 H new ATOM 0 HG22 THR A 47 -10.812 -10.280 4.431 1.00 24.12 H new ATOM 0 HG23 THR A 47 -10.720 -12.057 4.434 1.00 24.12 H new ATOM 718 N TYR A 48 -6.357 -9.330 4.414 1.00 60.03 N ATOM 719 CA TYR A 48 -5.039 -8.779 4.796 1.00 62.02 C ATOM 720 C TYR A 48 -5.192 -7.767 5.951 1.00 54.33 C ATOM 721 O TYR A 48 -6.315 -7.424 6.335 1.00 30.22 O ATOM 722 CB TYR A 48 -4.311 -8.116 3.582 1.00 13.41 C ATOM 723 CG TYR A 48 -4.905 -8.404 2.199 1.00 54.23 C ATOM 724 CD1 TYR A 48 -4.518 -9.524 1.463 1.00 14.40 C ATOM 725 CD2 TYR A 48 -5.846 -7.546 1.630 1.00 32.43 C ATOM 726 CE1 TYR A 48 -5.051 -9.776 0.211 1.00 52.54 C ATOM 727 CE2 TYR A 48 -6.381 -7.795 0.381 1.00 11.22 C ATOM 728 CZ TYR A 48 -5.981 -8.910 -0.325 1.00 64.10 C ATOM 729 OH TYR A 48 -6.515 -9.162 -1.571 1.00 31.22 O ATOM 0 H TYR A 48 -6.969 -8.656 3.953 1.00 60.03 H new ATOM 0 HA TYR A 48 -4.421 -9.611 5.133 1.00 62.02 H new ATOM 0 HB2 TYR A 48 -4.304 -7.037 3.734 1.00 13.41 H new ATOM 0 HB3 TYR A 48 -3.272 -8.445 3.584 1.00 13.41 H new ATOM 0 HD1 TYR A 48 -3.790 -10.206 1.877 1.00 14.40 H new ATOM 0 HD2 TYR A 48 -6.163 -6.670 2.177 1.00 32.43 H new ATOM 0 HE1 TYR A 48 -4.740 -10.648 -0.345 1.00 52.54 H new ATOM 0 HE2 TYR A 48 -7.110 -7.119 -0.041 1.00 11.22 H new ATOM 0 HH TYR A 48 -7.155 -8.457 -1.801 1.00 31.22 H new ATOM 739 N THR A 49 -4.051 -7.291 6.491 1.00 42.53 N ATOM 740 CA THR A 49 -4.032 -6.307 7.596 1.00 24.00 C ATOM 741 C THR A 49 -3.500 -4.954 7.089 1.00 11.15 C ATOM 742 O THR A 49 -2.883 -4.894 6.023 1.00 44.34 O ATOM 743 CB THR A 49 -3.163 -6.818 8.772 1.00 40.41 C ATOM 744 OG1 THR A 49 -1.828 -7.096 8.352 1.00 74.32 O ATOM 745 CG2 THR A 49 -3.713 -8.068 9.450 1.00 22.03 C ATOM 0 H THR A 49 -3.123 -7.575 6.177 1.00 42.53 H new ATOM 0 HA THR A 49 -5.052 -6.174 7.957 1.00 24.00 H new ATOM 0 HB THR A 49 -3.180 -6.004 9.496 1.00 40.41 H new ATOM 0 HG1 THR A 49 -1.304 -7.415 9.116 1.00 74.32 H new ATOM 0 HG21 THR A 49 -3.049 -8.363 10.262 1.00 22.03 H new ATOM 0 HG22 THR A 49 -4.705 -7.858 9.850 1.00 22.03 H new ATOM 0 HG23 THR A 49 -3.779 -8.877 8.723 1.00 22.03 H new ATOM 753 N MET A 50 -3.736 -3.869 7.862 1.00 21.22 N ATOM 754 CA MET A 50 -3.273 -2.508 7.487 1.00 24.44 C ATOM 755 C MET A 50 -1.731 -2.428 7.369 1.00 72.14 C ATOM 756 O MET A 50 -1.215 -1.644 6.565 1.00 20.35 O ATOM 757 CB MET A 50 -3.784 -1.455 8.502 1.00 25.41 C ATOM 758 CG MET A 50 -3.827 -0.015 7.967 1.00 62.13 C ATOM 759 SD MET A 50 -5.274 0.328 6.937 1.00 64.35 S ATOM 760 CE MET A 50 -5.111 2.094 6.675 1.00 30.15 C ATOM 0 H MET A 50 -4.242 -3.907 8.747 1.00 21.22 H new ATOM 0 HA MET A 50 -3.692 -2.290 6.505 1.00 24.44 H new ATOM 0 HB2 MET A 50 -4.786 -1.738 8.825 1.00 25.41 H new ATOM 0 HB3 MET A 50 -3.145 -1.481 9.385 1.00 25.41 H new ATOM 0 HG2 MET A 50 -3.817 0.677 8.809 1.00 62.13 H new ATOM 0 HG3 MET A 50 -2.924 0.176 7.387 1.00 62.13 H new ATOM 0 HE1 MET A 50 -5.935 2.447 6.055 1.00 30.15 H new ATOM 0 HE2 MET A 50 -5.133 2.608 7.636 1.00 30.15 H new ATOM 0 HE3 MET A 50 -4.165 2.302 6.174 1.00 30.15 H new ATOM 770 N LYS A 51 -1.007 -3.250 8.163 1.00 0.42 N ATOM 771 CA LYS A 51 0.470 -3.280 8.138 1.00 12.52 C ATOM 772 C LYS A 51 1.004 -4.037 6.899 1.00 75.35 C ATOM 773 O LYS A 51 2.064 -3.684 6.373 1.00 1.40 O ATOM 774 CB LYS A 51 1.018 -3.915 9.439 1.00 11.52 C ATOM 775 CG LYS A 51 2.481 -3.557 9.766 1.00 72.35 C ATOM 776 CD LYS A 51 3.443 -4.748 9.608 1.00 41.35 C ATOM 777 CE LYS A 51 3.594 -5.564 10.898 1.00 63.43 C ATOM 778 NZ LYS A 51 2.367 -6.349 11.238 1.00 75.44 N1+ ATOM 0 H LYS A 51 -1.424 -3.901 8.829 1.00 0.42 H new ATOM 0 HA LYS A 51 0.822 -2.250 8.072 1.00 12.52 H new ATOM 0 HB2 LYS A 51 0.388 -3.604 10.272 1.00 11.52 H new ATOM 0 HB3 LYS A 51 0.932 -4.999 9.362 1.00 11.52 H new ATOM 0 HG2 LYS A 51 2.805 -2.747 9.113 1.00 72.35 H new ATOM 0 HG3 LYS A 51 2.538 -3.185 10.789 1.00 72.35 H new ATOM 0 HD2 LYS A 51 3.081 -5.399 8.812 1.00 41.35 H new ATOM 0 HD3 LYS A 51 4.422 -4.381 9.299 1.00 41.35 H new ATOM 0 HE2 LYS A 51 4.438 -6.246 10.794 1.00 63.43 H new ATOM 0 HE3 LYS A 51 3.828 -4.891 11.722 1.00 63.43 H new ATOM 0 HZ1 LYS A 51 2.539 -6.906 12.099 1.00 75.44 H new ATOM 0 HZ2 LYS A 51 1.572 -5.698 11.400 1.00 75.44 H new ATOM 0 HZ3 LYS A 51 2.136 -6.989 10.452 1.00 75.44 H new ATOM 792 N GLU A 52 0.261 -5.069 6.434 1.00 32.02 N ATOM 793 CA GLU A 52 0.659 -5.865 5.251 1.00 1.24 C ATOM 794 C GLU A 52 0.452 -5.087 3.931 1.00 42.24 C ATOM 795 O GLU A 52 1.172 -5.331 2.959 1.00 2.30 O ATOM 796 CB GLU A 52 -0.114 -7.205 5.214 1.00 24.21 C ATOM 797 CG GLU A 52 0.452 -8.283 6.145 1.00 52.00 C ATOM 798 CD GLU A 52 1.718 -8.934 5.607 1.00 35.22 C ATOM 799 OE1 GLU A 52 1.604 -9.910 4.837 1.00 44.04 O ATOM 800 OE2 GLU A 52 2.823 -8.464 5.956 1.00 62.31 O1- ATOM 0 H GLU A 52 -0.616 -5.369 6.860 1.00 32.02 H new ATOM 0 HA GLU A 52 1.725 -6.072 5.344 1.00 1.24 H new ATOM 0 HB2 GLU A 52 -1.154 -7.019 5.482 1.00 24.21 H new ATOM 0 HB3 GLU A 52 -0.111 -7.585 4.192 1.00 24.21 H new ATOM 0 HG2 GLU A 52 0.664 -7.839 7.118 1.00 52.00 H new ATOM 0 HG3 GLU A 52 -0.305 -9.051 6.304 1.00 52.00 H new ATOM 807 N VAL A 53 -0.517 -4.138 3.909 1.00 44.23 N ATOM 808 CA VAL A 53 -0.802 -3.305 2.713 1.00 62.54 C ATOM 809 C VAL A 53 0.416 -2.419 2.341 1.00 4.34 C ATOM 810 O VAL A 53 0.620 -2.114 1.161 1.00 34.21 O ATOM 811 CB VAL A 53 -2.084 -2.418 2.933 1.00 4.42 C ATOM 812 CG1 VAL A 53 -2.303 -1.390 1.811 1.00 35.10 C ATOM 813 CG2 VAL A 53 -3.329 -3.299 3.087 1.00 23.31 C ATOM 0 H VAL A 53 -1.116 -3.930 4.708 1.00 44.23 H new ATOM 0 HA VAL A 53 -0.994 -3.982 1.881 1.00 62.54 H new ATOM 0 HB VAL A 53 -1.916 -1.857 3.852 1.00 4.42 H new ATOM 0 HG11 VAL A 53 -3.202 -0.809 2.020 1.00 35.10 H new ATOM 0 HG12 VAL A 53 -1.444 -0.722 1.757 1.00 35.10 H new ATOM 0 HG13 VAL A 53 -2.419 -1.909 0.860 1.00 35.10 H new ATOM 0 HG21 VAL A 53 -4.205 -2.668 3.238 1.00 23.31 H new ATOM 0 HG22 VAL A 53 -3.464 -3.898 2.187 1.00 23.31 H new ATOM 0 HG23 VAL A 53 -3.204 -3.958 3.946 1.00 23.31 H new ATOM 823 N LEU A 54 1.222 -2.026 3.350 1.00 63.53 N ATOM 824 CA LEU A 54 2.422 -1.193 3.131 1.00 11.21 C ATOM 825 C LEU A 54 3.592 -2.019 2.542 1.00 53.24 C ATOM 826 O LEU A 54 4.401 -1.482 1.781 1.00 21.31 O ATOM 827 CB LEU A 54 2.854 -0.502 4.460 1.00 0.53 C ATOM 828 CG LEU A 54 2.961 1.045 4.440 1.00 33.25 C ATOM 829 CD1 LEU A 54 4.027 1.518 3.451 1.00 51.40 C ATOM 830 CD2 LEU A 54 1.605 1.701 4.139 1.00 2.45 C ATOM 0 H LEU A 54 1.062 -2.273 4.327 1.00 63.53 H new ATOM 0 HA LEU A 54 2.163 -0.425 2.402 1.00 11.21 H new ATOM 0 HB2 LEU A 54 2.143 -0.783 5.236 1.00 0.53 H new ATOM 0 HB3 LEU A 54 3.823 -0.906 4.754 1.00 0.53 H new ATOM 0 HG LEU A 54 3.267 1.359 5.438 1.00 33.25 H new ATOM 0 HD11 LEU A 54 4.076 2.607 3.462 1.00 51.40 H new ATOM 0 HD12 LEU A 54 4.996 1.108 3.737 1.00 51.40 H new ATOM 0 HD13 LEU A 54 3.770 1.176 2.448 1.00 51.40 H new ATOM 0 HD21 LEU A 54 1.719 2.785 4.133 1.00 2.45 H new ATOM 0 HD22 LEU A 54 1.248 1.368 3.164 1.00 2.45 H new ATOM 0 HD23 LEU A 54 0.885 1.416 4.906 1.00 2.45 H new ATOM 842 N PHE A 55 3.674 -3.325 2.900 1.00 30.45 N ATOM 843 CA PHE A 55 4.745 -4.224 2.408 1.00 54.11 C ATOM 844 C PHE A 55 4.593 -4.544 0.903 1.00 65.40 C ATOM 845 O PHE A 55 5.588 -4.537 0.171 1.00 43.22 O ATOM 846 CB PHE A 55 4.769 -5.535 3.231 1.00 53.43 C ATOM 847 CG PHE A 55 5.974 -6.427 2.969 1.00 63.45 C ATOM 848 CD1 PHE A 55 7.169 -6.224 3.649 1.00 72.43 C ATOM 849 CD2 PHE A 55 5.910 -7.464 2.043 1.00 1.44 C ATOM 850 CE1 PHE A 55 8.268 -7.028 3.412 1.00 31.21 C ATOM 851 CE2 PHE A 55 7.008 -8.271 1.805 1.00 62.31 C ATOM 852 CZ PHE A 55 8.187 -8.053 2.490 1.00 44.55 C ATOM 0 H PHE A 55 3.010 -3.778 3.528 1.00 30.45 H new ATOM 0 HA PHE A 55 5.691 -3.698 2.537 1.00 54.11 H new ATOM 0 HB2 PHE A 55 4.744 -5.283 4.291 1.00 53.43 H new ATOM 0 HB3 PHE A 55 3.862 -6.100 3.016 1.00 53.43 H new ATOM 0 HD1 PHE A 55 7.240 -5.426 4.373 1.00 72.43 H new ATOM 0 HD2 PHE A 55 4.991 -7.641 1.503 1.00 1.44 H new ATOM 0 HE1 PHE A 55 9.190 -6.855 3.948 1.00 31.21 H new ATOM 0 HE2 PHE A 55 6.943 -9.072 1.083 1.00 62.31 H new ATOM 0 HZ PHE A 55 9.044 -8.683 2.305 1.00 44.55 H new ATOM 862 N TYR A 56 3.352 -4.835 0.452 1.00 5.52 N ATOM 863 CA TYR A 56 3.084 -5.169 -0.967 1.00 63.11 C ATOM 864 C TYR A 56 3.304 -3.964 -1.905 1.00 54.22 C ATOM 865 O TYR A 56 3.739 -4.147 -3.046 1.00 75.33 O ATOM 866 CB TYR A 56 1.652 -5.718 -1.148 1.00 53.55 C ATOM 867 CG TYR A 56 1.413 -7.086 -0.512 1.00 41.12 C ATOM 868 CD1 TYR A 56 2.093 -8.220 -0.960 1.00 1.13 C ATOM 869 CD2 TYR A 56 0.503 -7.244 0.532 1.00 21.03 C ATOM 870 CE1 TYR A 56 1.873 -9.457 -0.388 1.00 20.32 C ATOM 871 CE2 TYR A 56 0.280 -8.481 1.106 1.00 63.12 C ATOM 872 CZ TYR A 56 0.967 -9.583 0.644 1.00 50.34 C ATOM 873 OH TYR A 56 0.745 -10.817 1.215 1.00 71.02 O ATOM 0 H TYR A 56 2.523 -4.846 1.046 1.00 5.52 H new ATOM 0 HA TYR A 56 3.801 -5.942 -1.243 1.00 63.11 H new ATOM 0 HB2 TYR A 56 0.946 -5.005 -0.722 1.00 53.55 H new ATOM 0 HB3 TYR A 56 1.434 -5.784 -2.214 1.00 53.55 H new ATOM 0 HD1 TYR A 56 2.804 -8.128 -1.768 1.00 1.13 H new ATOM 0 HD2 TYR A 56 -0.038 -6.384 0.899 1.00 21.03 H new ATOM 0 HE1 TYR A 56 2.409 -10.323 -0.748 1.00 20.32 H new ATOM 0 HE2 TYR A 56 -0.430 -8.584 1.913 1.00 63.12 H new ATOM 0 HH TYR A 56 0.079 -10.732 1.929 1.00 71.02 H new ATOM 883 N LEU A 57 3.009 -2.738 -1.421 1.00 43.20 N ATOM 884 CA LEU A 57 3.186 -1.507 -2.224 1.00 11.33 C ATOM 885 C LEU A 57 4.680 -1.137 -2.380 1.00 31.42 C ATOM 886 O LEU A 57 5.079 -0.611 -3.424 1.00 51.22 O ATOM 887 CB LEU A 57 2.398 -0.322 -1.600 1.00 14.23 C ATOM 888 CG LEU A 57 1.524 0.505 -2.575 1.00 11.01 C ATOM 889 CD1 LEU A 57 0.644 1.492 -1.805 1.00 44.04 C ATOM 890 CD2 LEU A 57 2.383 1.241 -3.613 1.00 2.41 C ATOM 0 H LEU A 57 2.648 -2.574 -0.481 1.00 43.20 H new ATOM 0 HA LEU A 57 2.786 -1.708 -3.218 1.00 11.33 H new ATOM 0 HB2 LEU A 57 1.755 -0.715 -0.812 1.00 14.23 H new ATOM 0 HB3 LEU A 57 3.111 0.351 -1.124 1.00 14.23 H new ATOM 0 HG LEU A 57 0.878 -0.190 -3.112 1.00 11.01 H new ATOM 0 HD11 LEU A 57 0.038 2.064 -2.508 1.00 44.04 H new ATOM 0 HD12 LEU A 57 -0.008 0.944 -1.125 1.00 44.04 H new ATOM 0 HD13 LEU A 57 1.275 2.172 -1.233 1.00 44.04 H new ATOM 0 HD21 LEU A 57 1.737 1.811 -4.281 1.00 2.41 H new ATOM 0 HD22 LEU A 57 3.068 1.919 -3.104 1.00 2.41 H new ATOM 0 HD23 LEU A 57 2.954 0.516 -4.192 1.00 2.41 H new ATOM 902 N GLY A 58 5.500 -1.424 -1.340 1.00 22.31 N ATOM 903 CA GLY A 58 6.936 -1.125 -1.378 1.00 73.23 C ATOM 904 C GLY A 58 7.743 -2.044 -2.303 1.00 42.04 C ATOM 905 O GLY A 58 8.726 -1.598 -2.900 1.00 54.34 O ATOM 0 H GLY A 58 5.185 -1.860 -0.473 1.00 22.31 H new ATOM 0 HA2 GLY A 58 7.073 -0.093 -1.700 1.00 73.23 H new ATOM 0 HA3 GLY A 58 7.339 -1.200 -0.368 1.00 73.23 H new ATOM 909 N GLN A 59 7.326 -3.326 -2.424 1.00 32.02 N ATOM 910 CA GLN A 59 8.018 -4.312 -3.288 1.00 0.03 C ATOM 911 C GLN A 59 7.883 -3.967 -4.793 1.00 24.13 C ATOM 912 O GLN A 59 8.813 -4.218 -5.568 1.00 35.11 O ATOM 913 CB GLN A 59 7.482 -5.739 -3.016 1.00 53.01 C ATOM 914 CG GLN A 59 8.432 -6.863 -3.437 1.00 0.15 C ATOM 915 CD GLN A 59 7.867 -8.256 -3.171 1.00 72.52 C ATOM 916 OE1 GLN A 59 8.122 -8.844 -2.119 1.00 71.43 O ATOM 917 NE2 GLN A 59 7.097 -8.796 -4.120 1.00 11.11 N ATOM 0 H GLN A 59 6.514 -3.702 -1.934 1.00 32.02 H new ATOM 0 HA GLN A 59 9.078 -4.272 -3.038 1.00 0.03 H new ATOM 0 HB2 GLN A 59 7.271 -5.838 -1.951 1.00 53.01 H new ATOM 0 HB3 GLN A 59 6.535 -5.864 -3.541 1.00 53.01 H new ATOM 0 HG2 GLN A 59 8.654 -6.764 -4.500 1.00 0.15 H new ATOM 0 HG3 GLN A 59 9.376 -6.752 -2.903 1.00 0.15 H new ATOM 0 HE21 GLN A 59 6.908 -8.279 -4.979 1.00 11.11 H new ATOM 0 HE22 GLN A 59 6.699 -9.725 -3.986 1.00 11.11 H new ATOM 926 N TYR A 60 6.729 -3.386 -5.193 1.00 65.50 N ATOM 927 CA TYR A 60 6.473 -2.997 -6.600 1.00 32.12 C ATOM 928 C TYR A 60 7.346 -1.799 -7.035 1.00 1.23 C ATOM 929 O TYR A 60 7.771 -1.729 -8.193 1.00 52.43 O ATOM 930 CB TYR A 60 4.975 -2.659 -6.790 1.00 1.24 C ATOM 931 CG TYR A 60 4.482 -2.665 -8.239 1.00 31.42 C ATOM 932 CD1 TYR A 60 4.574 -3.811 -9.030 1.00 1.11 C ATOM 933 CD2 TYR A 60 3.906 -1.529 -8.806 1.00 53.50 C ATOM 934 CE1 TYR A 60 4.112 -3.822 -10.331 1.00 33.51 C ATOM 935 CE2 TYR A 60 3.440 -1.536 -10.107 1.00 73.11 C ATOM 936 CZ TYR A 60 3.545 -2.683 -10.865 1.00 74.41 C ATOM 937 OH TYR A 60 3.080 -2.693 -12.161 1.00 75.24 O ATOM 0 H TYR A 60 5.958 -3.175 -4.560 1.00 65.50 H new ATOM 0 HA TYR A 60 6.740 -3.844 -7.231 1.00 32.12 H new ATOM 0 HB2 TYR A 60 4.383 -3.374 -6.219 1.00 1.24 H new ATOM 0 HB3 TYR A 60 4.785 -1.674 -6.363 1.00 1.24 H new ATOM 0 HD1 TYR A 60 5.015 -4.706 -8.617 1.00 1.11 H new ATOM 0 HD2 TYR A 60 3.822 -0.627 -8.218 1.00 53.50 H new ATOM 0 HE1 TYR A 60 4.194 -4.718 -10.928 1.00 33.51 H new ATOM 0 HE2 TYR A 60 2.995 -0.647 -10.528 1.00 73.11 H new ATOM 0 HH TYR A 60 2.710 -1.813 -12.382 1.00 75.24 H new ATOM 947 N ILE A 61 7.607 -0.866 -6.096 1.00 25.21 N ATOM 948 CA ILE A 61 8.429 0.338 -6.359 1.00 53.32 C ATOM 949 C ILE A 61 9.932 -0.019 -6.541 1.00 74.01 C ATOM 950 O ILE A 61 10.655 0.705 -7.233 1.00 4.11 O ATOM 951 CB ILE A 61 8.238 1.399 -5.206 1.00 61.43 C ATOM 952 CG1 ILE A 61 6.744 1.809 -5.092 1.00 61.04 C ATOM 953 CG2 ILE A 61 9.115 2.650 -5.405 1.00 63.53 C ATOM 954 CD1 ILE A 61 6.373 2.486 -3.784 1.00 14.11 C ATOM 0 H ILE A 61 7.257 -0.923 -5.139 1.00 25.21 H new ATOM 0 HA ILE A 61 8.085 0.776 -7.296 1.00 53.32 H new ATOM 0 HB ILE A 61 8.558 0.923 -4.279 1.00 61.43 H new ATOM 0 HG12 ILE A 61 6.501 2.481 -5.915 1.00 61.04 H new ATOM 0 HG13 ILE A 61 6.126 0.919 -5.214 1.00 61.04 H new ATOM 0 HG21 ILE A 61 8.945 3.348 -4.585 1.00 63.53 H new ATOM 0 HG22 ILE A 61 10.165 2.359 -5.423 1.00 63.53 H new ATOM 0 HG23 ILE A 61 8.856 3.130 -6.349 1.00 63.53 H new ATOM 0 HD11 ILE A 61 5.312 2.737 -3.792 1.00 14.11 H new ATOM 0 HD12 ILE A 61 6.580 1.811 -2.954 1.00 14.11 H new ATOM 0 HD13 ILE A 61 6.960 3.397 -3.666 1.00 14.11 H new ATOM 966 N MET A 62 10.391 -1.130 -5.918 1.00 3.32 N ATOM 967 CA MET A 62 11.802 -1.572 -6.008 1.00 23.45 C ATOM 968 C MET A 62 12.069 -2.455 -7.247 1.00 54.20 C ATOM 969 O MET A 62 13.109 -2.305 -7.897 1.00 24.14 O ATOM 970 CB MET A 62 12.198 -2.336 -4.721 1.00 72.33 C ATOM 971 CG MET A 62 13.705 -2.552 -4.525 1.00 52.51 C ATOM 972 SD MET A 62 14.588 -1.054 -4.016 1.00 24.24 S ATOM 973 CE MET A 62 15.583 -1.669 -2.658 1.00 21.41 C ATOM 0 H MET A 62 9.803 -1.737 -5.347 1.00 3.32 H new ATOM 0 HA MET A 62 12.414 -0.676 -6.113 1.00 23.45 H new ATOM 0 HB2 MET A 62 11.811 -1.790 -3.860 1.00 72.33 H new ATOM 0 HB3 MET A 62 11.706 -3.309 -4.729 1.00 72.33 H new ATOM 0 HG2 MET A 62 13.859 -3.328 -3.775 1.00 52.51 H new ATOM 0 HG3 MET A 62 14.136 -2.920 -5.456 1.00 52.51 H new ATOM 0 HE1 MET A 62 16.180 -0.855 -2.246 1.00 21.41 H new ATOM 0 HE2 MET A 62 14.931 -2.070 -1.882 1.00 21.41 H new ATOM 0 HE3 MET A 62 16.244 -2.457 -3.019 1.00 21.41 H new ATOM 983 N THR A 63 11.147 -3.393 -7.549 1.00 54.52 N ATOM 984 CA THR A 63 11.307 -4.322 -8.691 1.00 72.13 C ATOM 985 C THR A 63 11.066 -3.648 -10.063 1.00 50.40 C ATOM 986 O THR A 63 11.759 -3.971 -11.033 1.00 24.33 O ATOM 987 CB THR A 63 10.392 -5.563 -8.516 1.00 34.23 C ATOM 988 OG1 THR A 63 10.744 -6.582 -9.439 1.00 72.00 O ATOM 989 CG2 THR A 63 8.901 -5.293 -8.684 1.00 71.13 C ATOM 0 H THR A 63 10.285 -3.528 -7.020 1.00 54.52 H new ATOM 0 HA THR A 63 12.349 -4.643 -8.688 1.00 72.13 H new ATOM 0 HB THR A 63 10.558 -5.869 -7.483 1.00 34.23 H new ATOM 0 HG1 THR A 63 10.157 -7.356 -9.311 1.00 72.00 H new ATOM 0 HG21 THR A 63 8.345 -6.220 -8.543 1.00 71.13 H new ATOM 0 HG22 THR A 63 8.578 -4.561 -7.944 1.00 71.13 H new ATOM 0 HG23 THR A 63 8.712 -4.905 -9.685 1.00 71.13 H new ATOM 997 N LYS A 64 10.078 -2.729 -10.145 1.00 14.24 N ATOM 998 CA LYS A 64 9.748 -2.035 -11.413 1.00 15.21 C ATOM 999 C LYS A 64 10.680 -0.843 -11.720 1.00 63.02 C ATOM 1000 O LYS A 64 10.624 -0.306 -12.831 1.00 53.03 O ATOM 1001 CB LYS A 64 8.287 -1.533 -11.401 1.00 14.11 C ATOM 1002 CG LYS A 64 7.225 -2.638 -11.376 1.00 4.14 C ATOM 1003 CD LYS A 64 7.047 -3.327 -12.737 1.00 60.32 C ATOM 1004 CE LYS A 64 6.262 -2.466 -13.731 1.00 2.24 C ATOM 1005 NZ LYS A 64 5.819 -3.241 -14.927 1.00 21.44 N1+ ATOM 0 H LYS A 64 9.497 -2.451 -9.354 1.00 14.24 H new ATOM 0 HA LYS A 64 9.889 -2.778 -12.198 1.00 15.21 H new ATOM 0 HB2 LYS A 64 8.145 -0.893 -10.530 1.00 14.11 H new ATOM 0 HB3 LYS A 64 8.124 -0.913 -12.282 1.00 14.11 H new ATOM 0 HG2 LYS A 64 7.501 -3.384 -10.630 1.00 4.14 H new ATOM 0 HG3 LYS A 64 6.272 -2.212 -11.063 1.00 4.14 H new ATOM 0 HD2 LYS A 64 8.027 -3.557 -13.155 1.00 60.32 H new ATOM 0 HD3 LYS A 64 6.530 -4.276 -12.596 1.00 60.32 H new ATOM 0 HE2 LYS A 64 5.390 -2.043 -13.232 1.00 2.24 H new ATOM 0 HE3 LYS A 64 6.883 -1.630 -14.053 1.00 2.24 H new ATOM 0 HZ1 LYS A 64 5.292 -2.616 -15.570 1.00 21.44 H new ATOM 0 HZ2 LYS A 64 6.651 -3.624 -15.420 1.00 21.44 H new ATOM 0 HZ3 LYS A 64 5.205 -4.024 -14.625 1.00 21.44 H new ATOM 1019 N ARG A 65 11.517 -0.414 -10.740 1.00 52.32 N ATOM 1020 CA ARG A 65 12.440 0.731 -10.908 1.00 64.31 C ATOM 1021 C ARG A 65 11.653 2.046 -11.082 1.00 74.00 C ATOM 1022 O ARG A 65 11.503 2.557 -12.200 1.00 31.30 O ATOM 1023 CB ARG A 65 13.433 0.514 -12.080 1.00 41.23 C ATOM 1024 CG ARG A 65 14.395 -0.655 -11.869 1.00 62.11 C ATOM 1025 CD ARG A 65 15.316 -0.866 -13.071 1.00 40.25 C ATOM 1026 NE ARG A 65 16.218 -2.022 -12.896 1.00 14.12 N ATOM 1027 CZ ARG A 65 17.019 -2.534 -13.856 1.00 25.11 C ATOM 1028 NH1 ARG A 65 17.086 -1.988 -15.078 1.00 3.13 N1+ ATOM 1029 NH2 ARG A 65 17.770 -3.602 -13.583 1.00 55.31 N ATOM 0 H ARG A 65 11.569 -0.850 -9.820 1.00 52.32 H new ATOM 0 HA ARG A 65 13.035 0.804 -9.998 1.00 64.31 H new ATOM 0 HB2 ARG A 65 12.867 0.345 -12.996 1.00 41.23 H new ATOM 0 HB3 ARG A 65 14.012 1.426 -12.226 1.00 41.23 H new ATOM 0 HG2 ARG A 65 14.997 -0.472 -10.979 1.00 62.11 H new ATOM 0 HG3 ARG A 65 13.824 -1.565 -11.686 1.00 62.11 H new ATOM 0 HD2 ARG A 65 14.712 -1.013 -13.966 1.00 40.25 H new ATOM 0 HD3 ARG A 65 15.910 0.033 -13.232 1.00 40.25 H new ATOM 0 HE ARG A 65 16.238 -2.469 -11.979 1.00 14.12 H new ATOM 0 HH11 ARG A 65 16.524 -1.166 -15.301 1.00 3.13 H new ATOM 0 HH12 ARG A 65 17.699 -2.394 -15.785 1.00 3.13 H new ATOM 0 HH21 ARG A 65 17.737 -4.025 -12.656 1.00 55.31 H new ATOM 0 HH22 ARG A 65 18.378 -3.995 -14.302 1.00 55.31 H new ATOM 1043 N LEU A 66 11.152 2.580 -9.952 1.00 11.24 N ATOM 1044 CA LEU A 66 10.377 3.835 -9.931 1.00 63.03 C ATOM 1045 C LEU A 66 11.262 5.001 -9.458 1.00 72.01 C ATOM 1046 O LEU A 66 11.258 6.069 -10.077 1.00 3.11 O ATOM 1047 CB LEU A 66 9.129 3.685 -9.016 1.00 53.33 C ATOM 1048 CG LEU A 66 7.798 3.280 -9.702 1.00 65.20 C ATOM 1049 CD1 LEU A 66 7.256 4.408 -10.585 1.00 3.45 C ATOM 1050 CD2 LEU A 66 7.949 1.981 -10.503 1.00 74.42 C ATOM 0 H LEU A 66 11.272 2.156 -9.032 1.00 11.24 H new ATOM 0 HA LEU A 66 10.035 4.052 -10.943 1.00 63.03 H new ATOM 0 HB2 LEU A 66 9.356 2.942 -8.252 1.00 53.33 H new ATOM 0 HB3 LEU A 66 8.970 4.633 -8.501 1.00 53.33 H new ATOM 0 HG LEU A 66 7.071 3.098 -8.910 1.00 65.20 H new ATOM 0 HD11 LEU A 66 6.323 4.090 -11.050 1.00 3.45 H new ATOM 0 HD12 LEU A 66 7.074 5.292 -9.975 1.00 3.45 H new ATOM 0 HD13 LEU A 66 7.985 4.646 -11.360 1.00 3.45 H new ATOM 0 HD21 LEU A 66 6.997 1.728 -10.969 1.00 74.42 H new ATOM 0 HD22 LEU A 66 8.707 2.115 -11.275 1.00 74.42 H new ATOM 0 HD23 LEU A 66 8.251 1.175 -9.835 1.00 74.42 H new ATOM 1062 N TYR A 67 12.032 4.779 -8.366 1.00 51.50 N ATOM 1063 CA TYR A 67 12.941 5.798 -7.816 1.00 32.55 C ATOM 1064 C TYR A 67 14.405 5.439 -8.146 1.00 32.33 C ATOM 1065 O TYR A 67 14.947 4.458 -7.624 1.00 42.54 O ATOM 1066 CB TYR A 67 12.699 5.991 -6.289 1.00 74.43 C ATOM 1067 CG TYR A 67 13.317 4.948 -5.347 1.00 71.11 C ATOM 1068 CD1 TYR A 67 12.847 3.635 -5.298 1.00 1.03 C ATOM 1069 CD2 TYR A 67 14.369 5.292 -4.499 1.00 70.25 C ATOM 1070 CE1 TYR A 67 13.405 2.707 -4.439 1.00 35.22 C ATOM 1071 CE2 TYR A 67 14.930 4.367 -3.640 1.00 73.34 C ATOM 1072 CZ TYR A 67 14.446 3.077 -3.613 1.00 43.13 C ATOM 1073 OH TYR A 67 15.003 2.155 -2.754 1.00 43.43 O ATOM 0 H TYR A 67 12.037 3.898 -7.851 1.00 51.50 H new ATOM 0 HA TYR A 67 12.730 6.758 -8.287 1.00 32.55 H new ATOM 0 HB2 TYR A 67 13.083 6.971 -6.007 1.00 74.43 H new ATOM 0 HB3 TYR A 67 11.623 6.008 -6.116 1.00 74.43 H new ATOM 0 HD1 TYR A 67 12.033 3.339 -5.943 1.00 1.03 H new ATOM 0 HD2 TYR A 67 14.753 6.301 -4.514 1.00 70.25 H new ATOM 0 HE1 TYR A 67 13.027 1.696 -4.415 1.00 35.22 H new ATOM 0 HE2 TYR A 67 15.745 4.654 -2.992 1.00 73.34 H new ATOM 0 HH TYR A 67 14.898 1.255 -3.127 1.00 43.43 H new ATOM 1083 N ASP A 68 15.026 6.226 -9.049 1.00 12.51 N ATOM 1084 CA ASP A 68 16.415 5.989 -9.486 1.00 70.11 C ATOM 1085 C ASP A 68 17.145 7.318 -9.754 1.00 41.23 C ATOM 1086 O ASP A 68 17.064 7.869 -10.859 1.00 63.11 O ATOM 1087 CB ASP A 68 16.431 5.106 -10.755 1.00 33.14 C ATOM 1088 CG ASP A 68 16.237 3.628 -10.453 1.00 52.02 C ATOM 1089 OD1 ASP A 68 17.242 2.947 -10.158 1.00 73.21 O ATOM 1090 OD2 ASP A 68 15.082 3.155 -10.507 1.00 3.31 O1- ATOM 0 H ASP A 68 14.585 7.033 -9.490 1.00 12.51 H new ATOM 0 HA ASP A 68 16.940 5.469 -8.684 1.00 70.11 H new ATOM 0 HB2 ASP A 68 15.645 5.439 -11.433 1.00 33.14 H new ATOM 0 HB3 ASP A 68 17.379 5.244 -11.275 1.00 33.14 H new ATOM 1095 N GLU A 69 17.858 7.828 -8.730 1.00 52.30 N ATOM 1096 CA GLU A 69 18.614 9.095 -8.841 1.00 44.44 C ATOM 1097 C GLU A 69 19.681 9.215 -7.732 1.00 43.05 C ATOM 1098 O GLU A 69 19.620 8.498 -6.727 1.00 34.02 O ATOM 1099 CB GLU A 69 17.659 10.316 -8.803 1.00 55.11 C ATOM 1100 CG GLU A 69 16.791 10.433 -7.537 1.00 61.12 C ATOM 1101 CD GLU A 69 15.309 10.600 -7.837 1.00 42.23 C ATOM 1102 OE1 GLU A 69 14.871 11.751 -8.045 1.00 40.25 O ATOM 1103 OE2 GLU A 69 14.589 9.579 -7.867 1.00 64.23 O1- ATOM 0 H GLU A 69 17.927 7.382 -7.815 1.00 52.30 H new ATOM 0 HA GLU A 69 19.126 9.085 -9.803 1.00 44.44 H new ATOM 0 HB2 GLU A 69 18.253 11.224 -8.901 1.00 55.11 H new ATOM 0 HB3 GLU A 69 17.002 10.270 -9.671 1.00 55.11 H new ATOM 0 HG2 GLU A 69 16.933 9.543 -6.924 1.00 61.12 H new ATOM 0 HG3 GLU A 69 17.133 11.283 -6.947 1.00 61.12 H new ATOM 1110 N LYS A 70 20.652 10.137 -7.919 1.00 40.45 N ATOM 1111 CA LYS A 70 21.729 10.365 -6.928 1.00 34.03 C ATOM 1112 C LYS A 70 21.191 11.136 -5.708 1.00 62.43 C ATOM 1113 O LYS A 70 21.342 10.679 -4.570 1.00 54.43 O ATOM 1114 CB LYS A 70 22.920 11.127 -7.559 1.00 22.22 C ATOM 1115 CG LYS A 70 23.623 10.384 -8.700 1.00 11.11 C ATOM 1116 CD LYS A 70 24.438 9.182 -8.204 1.00 31.11 C ATOM 1117 CE LYS A 70 25.066 8.394 -9.354 1.00 74.24 C ATOM 1118 NZ LYS A 70 24.079 7.519 -10.059 1.00 55.21 N1+ ATOM 0 H LYS A 70 20.712 10.734 -8.744 1.00 40.45 H new ATOM 0 HA LYS A 70 22.086 9.390 -6.597 1.00 34.03 H new ATOM 0 HB2 LYS A 70 22.563 12.086 -7.934 1.00 22.22 H new ATOM 0 HB3 LYS A 70 23.650 11.342 -6.779 1.00 22.22 H new ATOM 0 HG2 LYS A 70 22.879 10.042 -9.420 1.00 11.11 H new ATOM 0 HG3 LYS A 70 24.283 11.074 -9.227 1.00 11.11 H new ATOM 0 HD2 LYS A 70 25.223 9.530 -7.533 1.00 31.11 H new ATOM 0 HD3 LYS A 70 23.793 8.522 -7.624 1.00 31.11 H new ATOM 0 HE2 LYS A 70 25.505 9.090 -10.069 1.00 74.24 H new ATOM 0 HE3 LYS A 70 25.879 7.780 -8.967 1.00 74.24 H new ATOM 0 HZ1 LYS A 70 24.556 7.008 -10.829 1.00 55.21 H new ATOM 0 HZ2 LYS A 70 23.678 6.835 -9.386 1.00 55.21 H new ATOM 0 HZ3 LYS A 70 23.316 8.105 -10.454 1.00 55.21 H new ATOM 1132 N GLN A 71 20.542 12.293 -5.960 1.00 2.24 N ATOM 1133 CA GLN A 71 19.953 13.121 -4.894 1.00 35.34 C ATOM 1134 C GLN A 71 18.462 12.776 -4.750 1.00 21.44 C ATOM 1135 O GLN A 71 17.632 13.239 -5.541 1.00 32.52 O ATOM 1136 CB GLN A 71 20.146 14.626 -5.199 1.00 63.31 C ATOM 1137 CG GLN A 71 21.608 15.086 -5.204 1.00 4.34 C ATOM 1138 CD GLN A 71 22.182 15.283 -3.801 1.00 0.32 C ATOM 1139 OE1 GLN A 71 22.070 16.366 -3.227 1.00 23.30 O ATOM 1140 NE2 GLN A 71 22.802 14.241 -3.238 1.00 3.12 N ATOM 0 H GLN A 71 20.414 12.673 -6.898 1.00 2.24 H new ATOM 0 HA GLN A 71 20.460 12.910 -3.952 1.00 35.34 H new ATOM 0 HB2 GLN A 71 19.704 14.847 -6.171 1.00 63.31 H new ATOM 0 HB3 GLN A 71 19.597 15.208 -4.459 1.00 63.31 H new ATOM 0 HG2 GLN A 71 22.212 14.351 -5.737 1.00 4.34 H new ATOM 0 HG3 GLN A 71 21.686 16.023 -5.756 1.00 4.34 H new ATOM 0 HE21 GLN A 71 22.876 13.358 -3.743 1.00 3.12 H new ATOM 0 HE22 GLN A 71 23.201 14.329 -2.303 1.00 3.12 H new ATOM 1149 N GLN A 72 18.134 11.929 -3.751 1.00 2.33 N ATOM 1150 CA GLN A 72 16.745 11.483 -3.517 1.00 34.04 C ATOM 1151 C GLN A 72 15.874 12.614 -2.936 1.00 40.53 C ATOM 1152 O GLN A 72 16.124 13.083 -1.820 1.00 12.31 O ATOM 1153 CB GLN A 72 16.705 10.252 -2.578 1.00 23.41 C ATOM 1154 CG GLN A 72 17.507 9.036 -3.069 1.00 31.43 C ATOM 1155 CD GLN A 72 16.872 8.298 -4.253 1.00 11.02 C ATOM 1156 OE1 GLN A 72 15.806 8.676 -4.745 1.00 63.32 O ATOM 1157 NE2 GLN A 72 17.529 7.234 -4.720 1.00 22.15 N ATOM 0 H GLN A 72 18.812 11.541 -3.095 1.00 2.33 H new ATOM 0 HA GLN A 72 16.335 11.200 -4.486 1.00 34.04 H new ATOM 0 HB2 GLN A 72 17.084 10.547 -1.600 1.00 23.41 H new ATOM 0 HB3 GLN A 72 15.666 9.952 -2.440 1.00 23.41 H new ATOM 0 HG2 GLN A 72 18.506 9.366 -3.355 1.00 31.43 H new ATOM 0 HG3 GLN A 72 17.627 8.336 -2.242 1.00 31.43 H new ATOM 0 HE21 GLN A 72 18.409 6.948 -4.290 1.00 22.15 H new ATOM 0 HE22 GLN A 72 17.151 6.707 -5.507 1.00 22.15 H new ATOM 1166 N HIS A 73 14.850 13.043 -3.708 1.00 32.43 N ATOM 1167 CA HIS A 73 13.926 14.116 -3.282 1.00 63.23 C ATOM 1168 C HIS A 73 12.464 13.809 -3.680 1.00 54.25 C ATOM 1169 O HIS A 73 11.563 13.945 -2.847 1.00 43.43 O ATOM 1170 CB HIS A 73 14.376 15.492 -3.834 1.00 75.42 C ATOM 1171 CG HIS A 73 14.394 15.615 -5.337 1.00 21.43 C ATOM 1172 ND1 HIS A 73 15.316 14.975 -6.141 1.00 71.40 N ATOM 1173 CD2 HIS A 73 13.590 16.313 -6.176 1.00 53.35 C ATOM 1174 CE1 HIS A 73 15.079 15.275 -7.406 1.00 54.35 C ATOM 1175 NE2 HIS A 73 14.037 16.084 -7.453 1.00 43.02 N ATOM 0 H HIS A 73 14.643 12.661 -4.631 1.00 32.43 H new ATOM 0 HA HIS A 73 13.963 14.160 -2.193 1.00 63.23 H new ATOM 0 HB2 HIS A 73 13.714 16.259 -3.432 1.00 75.42 H new ATOM 0 HB3 HIS A 73 15.376 15.705 -3.458 1.00 75.42 H new ATOM 0 HD1 HIS A 73 16.064 14.365 -5.810 1.00 71.40 H new ATOM 0 HD2 HIS A 73 12.753 16.934 -5.892 1.00 53.35 H new ATOM 0 HE1 HIS A 73 15.642 14.919 -8.256 1.00 54.35 H new ATOM 1184 N ILE A 74 12.234 13.396 -4.949 1.00 43.32 N ATOM 1185 CA ILE A 74 10.879 13.076 -5.443 1.00 72.41 C ATOM 1186 C ILE A 74 10.921 11.955 -6.510 1.00 43.51 C ATOM 1187 O ILE A 74 11.891 11.859 -7.271 1.00 33.04 O ATOM 1188 CB ILE A 74 10.159 14.362 -5.998 1.00 41.41 C ATOM 1189 CG1 ILE A 74 8.620 14.199 -5.926 1.00 34.43 C ATOM 1190 CG2 ILE A 74 10.620 14.733 -7.423 1.00 33.24 C ATOM 1191 CD1 ILE A 74 7.839 15.494 -6.077 1.00 43.42 C ATOM 0 H ILE A 74 12.969 13.278 -5.646 1.00 43.32 H new ATOM 0 HA ILE A 74 10.297 12.707 -4.598 1.00 72.41 H new ATOM 0 HB ILE A 74 10.449 15.194 -5.357 1.00 41.41 H new ATOM 0 HG12 ILE A 74 8.304 13.507 -6.706 1.00 34.43 H new ATOM 0 HG13 ILE A 74 8.360 13.743 -4.971 1.00 34.43 H new ATOM 0 HG21 ILE A 74 10.092 15.627 -7.755 1.00 33.24 H new ATOM 0 HG22 ILE A 74 11.693 14.926 -7.420 1.00 33.24 H new ATOM 0 HG23 ILE A 74 10.402 13.909 -8.102 1.00 33.24 H new ATOM 0 HD11 ILE A 74 6.771 15.284 -6.014 1.00 43.42 H new ATOM 0 HD12 ILE A 74 8.121 16.184 -5.282 1.00 43.42 H new ATOM 0 HD13 ILE A 74 8.064 15.944 -7.044 1.00 43.42 H new ATOM 1203 N VAL A 75 9.862 11.117 -6.559 1.00 1.13 N ATOM 1204 CA VAL A 75 9.777 10.006 -7.533 1.00 33.44 C ATOM 1205 C VAL A 75 8.852 10.368 -8.715 1.00 31.21 C ATOM 1206 O VAL A 75 8.037 11.290 -8.607 1.00 31.22 O ATOM 1207 CB VAL A 75 9.312 8.661 -6.864 1.00 1.12 C ATOM 1208 CG1 VAL A 75 10.167 8.334 -5.635 1.00 1.41 C ATOM 1209 CG2 VAL A 75 7.819 8.665 -6.498 1.00 61.31 C ATOM 0 H VAL A 75 9.056 11.188 -5.937 1.00 1.13 H new ATOM 0 HA VAL A 75 10.785 9.850 -7.916 1.00 33.44 H new ATOM 0 HB VAL A 75 9.455 7.879 -7.610 1.00 1.12 H new ATOM 0 HG11 VAL A 75 9.824 7.399 -5.192 1.00 1.41 H new ATOM 0 HG12 VAL A 75 11.210 8.233 -5.934 1.00 1.41 H new ATOM 0 HG13 VAL A 75 10.076 9.137 -4.904 1.00 1.41 H new ATOM 0 HG21 VAL A 75 7.554 7.712 -6.040 1.00 61.31 H new ATOM 0 HG22 VAL A 75 7.619 9.474 -5.795 1.00 61.31 H new ATOM 0 HG23 VAL A 75 7.224 8.812 -7.399 1.00 61.31 H new ATOM 1219 N TYR A 76 8.985 9.630 -9.838 1.00 24.42 N ATOM 1220 CA TYR A 76 8.168 9.859 -11.049 1.00 52.33 C ATOM 1221 C TYR A 76 7.402 8.581 -11.442 1.00 60.55 C ATOM 1222 O TYR A 76 7.893 7.469 -11.220 1.00 60.45 O ATOM 1223 CB TYR A 76 9.060 10.314 -12.223 1.00 2.22 C ATOM 1224 CG TYR A 76 9.781 11.641 -11.993 1.00 14.31 C ATOM 1225 CD1 TYR A 76 9.182 12.853 -12.334 1.00 53.00 C ATOM 1226 CD2 TYR A 76 11.061 11.679 -11.441 1.00 61.40 C ATOM 1227 CE1 TYR A 76 9.835 14.054 -12.131 1.00 34.32 C ATOM 1228 CE2 TYR A 76 11.717 12.878 -11.236 1.00 34.24 C ATOM 1229 CZ TYR A 76 11.101 14.063 -11.582 1.00 12.53 C ATOM 1230 OH TYR A 76 11.753 15.260 -11.383 1.00 72.42 O ATOM 0 H TYR A 76 9.655 8.866 -9.931 1.00 24.42 H new ATOM 0 HA TYR A 76 7.446 10.644 -10.825 1.00 52.33 H new ATOM 0 HB2 TYR A 76 9.803 9.541 -12.419 1.00 2.22 H new ATOM 0 HB3 TYR A 76 8.445 10.400 -13.118 1.00 2.22 H new ATOM 0 HD1 TYR A 76 8.191 12.853 -12.764 1.00 53.00 H new ATOM 0 HD2 TYR A 76 11.549 10.755 -11.169 1.00 61.40 H new ATOM 0 HE1 TYR A 76 9.356 14.983 -12.401 1.00 34.32 H new ATOM 0 HE2 TYR A 76 12.708 12.887 -10.807 1.00 34.24 H new ATOM 0 HH TYR A 76 12.634 15.091 -10.988 1.00 72.42 H new ATOM 1240 N CYS A 77 6.201 8.753 -12.037 1.00 13.44 N ATOM 1241 CA CYS A 77 5.359 7.616 -12.479 1.00 5.02 C ATOM 1242 C CYS A 77 5.693 7.205 -13.928 1.00 53.51 C ATOM 1243 O CYS A 77 6.296 7.987 -14.672 1.00 33.50 O ATOM 1244 CB CYS A 77 3.851 7.950 -12.333 1.00 73.44 C ATOM 1245 SG CYS A 77 3.240 9.335 -13.342 1.00 74.32 S ATOM 0 H CYS A 77 5.791 9.668 -12.223 1.00 13.44 H new ATOM 0 HA CYS A 77 5.581 6.768 -11.831 1.00 5.02 H new ATOM 0 HB2 CYS A 77 3.276 7.060 -12.587 1.00 73.44 H new ATOM 0 HB3 CYS A 77 3.648 8.172 -11.285 1.00 73.44 H new ATOM 0 HG CYS A 77 3.362 10.444 -12.676 1.00 74.32 H new ATOM 1251 N SER A 78 5.299 5.973 -14.316 1.00 33.31 N ATOM 1252 CA SER A 78 5.558 5.446 -15.672 1.00 34.42 C ATOM 1253 C SER A 78 4.256 4.968 -16.356 1.00 13.51 C ATOM 1254 O SER A 78 4.218 3.882 -16.949 1.00 53.23 O ATOM 1255 CB SER A 78 6.583 4.300 -15.595 1.00 1.30 C ATOM 1256 OG SER A 78 7.768 4.712 -14.932 1.00 23.41 O ATOM 0 H SER A 78 4.800 5.324 -13.708 1.00 33.31 H new ATOM 0 HA SER A 78 5.965 6.253 -16.281 1.00 34.42 H new ATOM 0 HB2 SER A 78 6.145 3.452 -15.068 1.00 1.30 H new ATOM 0 HB3 SER A 78 6.827 3.959 -16.601 1.00 1.30 H new ATOM 0 HG SER A 78 8.400 3.964 -14.896 1.00 23.41 H new ATOM 1262 N ASN A 79 3.189 5.800 -16.279 1.00 5.31 N ATOM 1263 CA ASN A 79 1.871 5.498 -16.888 1.00 64.25 C ATOM 1264 C ASN A 79 1.306 4.137 -16.409 1.00 51.33 C ATOM 1265 O ASN A 79 1.172 3.190 -17.195 1.00 53.44 O ATOM 1266 CB ASN A 79 1.955 5.549 -18.434 1.00 64.53 C ATOM 1267 CG ASN A 79 2.188 6.960 -18.974 1.00 72.34 C ATOM 1268 OD1 ASN A 79 3.227 7.568 -18.712 1.00 63.45 O ATOM 1269 ND2 ASN A 79 1.225 7.489 -19.734 1.00 32.23 N ATOM 0 H ASN A 79 3.218 6.697 -15.794 1.00 5.31 H new ATOM 0 HA ASN A 79 1.176 6.269 -16.554 1.00 64.25 H new ATOM 0 HB2 ASN A 79 2.763 4.899 -18.770 1.00 64.53 H new ATOM 0 HB3 ASN A 79 1.031 5.153 -18.856 1.00 64.53 H new ATOM 0 HD21 ASN A 79 1.337 8.427 -20.119 1.00 32.23 H new ATOM 0 HD22 ASN A 79 0.378 6.955 -19.929 1.00 32.23 H new ATOM 1276 N ASP A 80 0.981 4.057 -15.105 1.00 33.54 N ATOM 1277 CA ASP A 80 0.430 2.831 -14.489 1.00 51.25 C ATOM 1278 C ASP A 80 -0.640 3.190 -13.433 1.00 35.23 C ATOM 1279 O ASP A 80 -0.916 4.374 -13.205 1.00 71.42 O ATOM 1280 CB ASP A 80 1.573 2.001 -13.850 1.00 51.52 C ATOM 1281 CG ASP A 80 2.393 1.235 -14.877 1.00 32.22 C ATOM 1282 OD1 ASP A 80 1.920 0.177 -15.345 1.00 20.44 O1- ATOM 1283 OD2 ASP A 80 3.507 1.692 -15.212 1.00 11.21 O ATOM 0 H ASP A 80 1.091 4.833 -14.452 1.00 33.54 H new ATOM 0 HA ASP A 80 -0.047 2.230 -15.264 1.00 51.25 H new ATOM 0 HB2 ASP A 80 2.230 2.667 -13.291 1.00 51.52 H new ATOM 0 HB3 ASP A 80 1.148 1.298 -13.134 1.00 51.52 H new ATOM 1288 N LEU A 81 -1.233 2.161 -12.780 1.00 12.41 N ATOM 1289 CA LEU A 81 -2.267 2.371 -11.733 1.00 4.15 C ATOM 1290 C LEU A 81 -1.719 3.060 -10.449 1.00 1.25 C ATOM 1291 O LEU A 81 -2.507 3.415 -9.565 1.00 4.42 O ATOM 1292 CB LEU A 81 -3.017 1.048 -11.359 1.00 20.24 C ATOM 1293 CG LEU A 81 -2.213 -0.282 -11.142 1.00 33.22 C ATOM 1294 CD1 LEU A 81 -2.207 -1.146 -12.408 1.00 61.24 C ATOM 1295 CD2 LEU A 81 -0.782 -0.066 -10.619 1.00 62.23 C ATOM 0 H LEU A 81 -1.015 1.181 -12.958 1.00 12.41 H new ATOM 0 HA LEU A 81 -2.984 3.056 -12.186 1.00 4.15 H new ATOM 0 HB2 LEU A 81 -3.575 1.241 -10.443 1.00 20.24 H new ATOM 0 HB3 LEU A 81 -3.749 0.859 -12.144 1.00 20.24 H new ATOM 0 HG LEU A 81 -2.744 -0.817 -10.355 1.00 33.22 H new ATOM 0 HD11 LEU A 81 -1.642 -2.059 -12.223 1.00 61.24 H new ATOM 0 HD12 LEU A 81 -3.231 -1.402 -12.679 1.00 61.24 H new ATOM 0 HD13 LEU A 81 -1.744 -0.592 -13.224 1.00 61.24 H new ATOM 0 HD21 LEU A 81 -0.291 -1.031 -10.494 1.00 62.23 H new ATOM 0 HD22 LEU A 81 -0.221 0.537 -11.333 1.00 62.23 H new ATOM 0 HD23 LEU A 81 -0.819 0.449 -9.659 1.00 62.23 H new ATOM 1307 N LEU A 82 -0.377 3.252 -10.351 1.00 62.10 N ATOM 1308 CA LEU A 82 0.268 3.902 -9.183 1.00 22.20 C ATOM 1309 C LEU A 82 -0.294 5.323 -8.923 1.00 1.41 C ATOM 1310 O LEU A 82 -0.503 5.699 -7.766 1.00 34.41 O ATOM 1311 CB LEU A 82 1.813 3.958 -9.392 1.00 34.25 C ATOM 1312 CG LEU A 82 2.721 3.874 -8.132 1.00 11.50 C ATOM 1313 CD1 LEU A 82 2.476 5.036 -7.164 1.00 70.23 C ATOM 1314 CD2 LEU A 82 2.572 2.524 -7.417 1.00 14.31 C ATOM 0 H LEU A 82 0.282 2.963 -11.074 1.00 62.10 H new ATOM 0 HA LEU A 82 0.042 3.300 -8.303 1.00 22.20 H new ATOM 0 HB2 LEU A 82 2.090 3.142 -10.059 1.00 34.25 H new ATOM 0 HB3 LEU A 82 2.047 4.887 -9.911 1.00 34.25 H new ATOM 0 HG LEU A 82 3.749 3.956 -8.484 1.00 11.50 H new ATOM 0 HD11 LEU A 82 3.133 4.934 -6.300 1.00 70.23 H new ATOM 0 HD12 LEU A 82 2.684 5.980 -7.668 1.00 70.23 H new ATOM 0 HD13 LEU A 82 1.437 5.022 -6.834 1.00 70.23 H new ATOM 0 HD21 LEU A 82 3.221 2.502 -6.542 1.00 14.31 H new ATOM 0 HD22 LEU A 82 1.536 2.390 -7.104 1.00 14.31 H new ATOM 0 HD23 LEU A 82 2.852 1.719 -8.097 1.00 14.31 H new ATOM 1326 N GLY A 83 -0.541 6.101 -10.005 1.00 24.13 N ATOM 1327 CA GLY A 83 -1.075 7.465 -9.871 1.00 3.33 C ATOM 1328 C GLY A 83 -2.601 7.562 -10.008 1.00 11.32 C ATOM 1329 O GLY A 83 -3.106 8.594 -10.463 1.00 13.32 O ATOM 0 H GLY A 83 -0.379 5.805 -10.968 1.00 24.13 H new ATOM 0 HA2 GLY A 83 -0.783 7.863 -8.899 1.00 3.33 H new ATOM 0 HA3 GLY A 83 -0.613 8.100 -10.627 1.00 3.33 H new ATOM 1333 N ASP A 84 -3.333 6.498 -9.607 1.00 51.31 N ATOM 1334 CA ASP A 84 -4.811 6.465 -9.676 1.00 53.52 C ATOM 1335 C ASP A 84 -5.453 6.488 -8.267 1.00 45.21 C ATOM 1336 O ASP A 84 -6.593 6.940 -8.120 1.00 72.24 O ATOM 1337 CB ASP A 84 -5.275 5.217 -10.458 1.00 23.44 C ATOM 1338 CG ASP A 84 -6.694 5.344 -10.996 1.00 62.54 C ATOM 1339 OD1 ASP A 84 -7.639 4.965 -10.272 1.00 75.50 O ATOM 1340 OD2 ASP A 84 -6.857 5.826 -12.137 1.00 62.24 O1- ATOM 0 H ASP A 84 -2.920 5.645 -9.230 1.00 51.31 H new ATOM 0 HA ASP A 84 -5.141 7.362 -10.200 1.00 53.52 H new ATOM 0 HB2 ASP A 84 -4.592 5.041 -11.289 1.00 23.44 H new ATOM 0 HB3 ASP A 84 -5.216 4.345 -9.807 1.00 23.44 H new ATOM 1345 N LEU A 85 -4.715 6.009 -7.236 1.00 11.42 N ATOM 1346 CA LEU A 85 -5.212 5.987 -5.838 1.00 61.03 C ATOM 1347 C LEU A 85 -4.880 7.309 -5.122 1.00 25.52 C ATOM 1348 O LEU A 85 -5.715 7.838 -4.381 1.00 23.32 O ATOM 1349 CB LEU A 85 -4.667 4.775 -5.007 1.00 35.13 C ATOM 1350 CG LEU A 85 -3.472 3.965 -5.585 1.00 12.41 C ATOM 1351 CD1 LEU A 85 -2.728 3.219 -4.474 1.00 61.21 C ATOM 1352 CD2 LEU A 85 -3.943 2.981 -6.664 1.00 43.03 C ATOM 0 H LEU A 85 -3.773 5.633 -7.346 1.00 11.42 H new ATOM 0 HA LEU A 85 -6.293 5.866 -5.902 1.00 61.03 H new ATOM 0 HB2 LEU A 85 -4.372 5.149 -4.027 1.00 35.13 H new ATOM 0 HB3 LEU A 85 -5.493 4.082 -4.848 1.00 35.13 H new ATOM 0 HG LEU A 85 -2.784 4.674 -6.045 1.00 12.41 H new ATOM 0 HD11 LEU A 85 -1.897 2.660 -4.904 1.00 61.21 H new ATOM 0 HD12 LEU A 85 -2.346 3.936 -3.747 1.00 61.21 H new ATOM 0 HD13 LEU A 85 -3.411 2.529 -3.978 1.00 61.21 H new ATOM 0 HD21 LEU A 85 -3.087 2.428 -7.051 1.00 43.03 H new ATOM 0 HD22 LEU A 85 -4.661 2.283 -6.232 1.00 43.03 H new ATOM 0 HD23 LEU A 85 -4.417 3.532 -7.477 1.00 43.03 H new ATOM 1364 N PHE A 86 -3.662 7.840 -5.354 1.00 51.30 N ATOM 1365 CA PHE A 86 -3.219 9.108 -4.738 1.00 44.41 C ATOM 1366 C PHE A 86 -3.711 10.320 -5.553 1.00 14.30 C ATOM 1367 O PHE A 86 -4.153 11.318 -4.973 1.00 72.41 O ATOM 1368 CB PHE A 86 -1.680 9.147 -4.603 1.00 42.13 C ATOM 1369 CG PHE A 86 -1.093 7.977 -3.834 1.00 54.42 C ATOM 1370 CD1 PHE A 86 -1.279 7.862 -2.460 1.00 32.32 C ATOM 1371 CD2 PHE A 86 -0.355 6.995 -4.486 1.00 2.32 C ATOM 1372 CE1 PHE A 86 -0.745 6.797 -1.761 1.00 65.44 C ATOM 1373 CE2 PHE A 86 0.180 5.930 -3.788 1.00 35.12 C ATOM 1374 CZ PHE A 86 -0.015 5.831 -2.425 1.00 14.40 C ATOM 0 H PHE A 86 -2.967 7.410 -5.964 1.00 51.30 H new ATOM 0 HA PHE A 86 -3.657 9.162 -3.741 1.00 44.41 H new ATOM 0 HB2 PHE A 86 -1.240 9.170 -5.600 1.00 42.13 H new ATOM 0 HB3 PHE A 86 -1.393 10.074 -4.107 1.00 42.13 H new ATOM 0 HD1 PHE A 86 -1.848 8.614 -1.934 1.00 32.32 H new ATOM 0 HD2 PHE A 86 -0.198 7.066 -5.552 1.00 2.32 H new ATOM 0 HE1 PHE A 86 -0.898 6.720 -0.695 1.00 65.44 H new ATOM 0 HE2 PHE A 86 0.751 5.175 -4.308 1.00 35.12 H new ATOM 0 HZ PHE A 86 0.403 4.999 -1.878 1.00 14.40 H new ATOM 1384 N GLY A 87 -3.632 10.222 -6.899 1.00 15.43 N ATOM 1385 CA GLY A 87 -4.072 11.304 -7.784 1.00 44.23 C ATOM 1386 C GLY A 87 -3.020 12.390 -7.985 1.00 14.43 C ATOM 1387 O GLY A 87 -3.368 13.569 -8.098 1.00 15.23 O ATOM 0 H GLY A 87 -3.268 9.404 -7.387 1.00 15.43 H new ATOM 0 HA2 GLY A 87 -4.339 10.884 -8.754 1.00 44.23 H new ATOM 0 HA3 GLY A 87 -4.975 11.755 -7.372 1.00 44.23 H new ATOM 1391 N VAL A 88 -1.732 11.990 -8.040 1.00 23.11 N ATOM 1392 CA VAL A 88 -0.616 12.932 -8.239 1.00 33.55 C ATOM 1393 C VAL A 88 0.425 12.344 -9.215 1.00 22.22 C ATOM 1394 O VAL A 88 0.690 11.137 -9.174 1.00 22.44 O ATOM 1395 CB VAL A 88 0.094 13.320 -6.893 1.00 40.22 C ATOM 1396 CG1 VAL A 88 -0.745 14.324 -6.096 1.00 64.31 C ATOM 1397 CG2 VAL A 88 0.435 12.086 -6.036 1.00 60.22 C ATOM 0 H VAL A 88 -1.441 11.017 -7.949 1.00 23.11 H new ATOM 0 HA VAL A 88 -1.049 13.839 -8.661 1.00 33.55 H new ATOM 0 HB VAL A 88 1.038 13.796 -7.159 1.00 40.22 H new ATOM 0 HG11 VAL A 88 -0.229 14.575 -5.169 1.00 64.31 H new ATOM 0 HG12 VAL A 88 -0.889 15.228 -6.687 1.00 64.31 H new ATOM 0 HG13 VAL A 88 -1.715 13.884 -5.864 1.00 64.31 H new ATOM 0 HG21 VAL A 88 0.924 12.406 -5.116 1.00 60.22 H new ATOM 0 HG22 VAL A 88 -0.481 11.548 -5.792 1.00 60.22 H new ATOM 0 HG23 VAL A 88 1.103 11.430 -6.593 1.00 60.22 H new ATOM 1407 N PRO A 89 1.045 13.183 -10.106 1.00 31.34 N ATOM 1408 CA PRO A 89 2.063 12.703 -11.062 1.00 60.43 C ATOM 1409 C PRO A 89 3.393 12.329 -10.366 1.00 62.53 C ATOM 1410 O PRO A 89 4.039 11.353 -10.754 1.00 72.52 O ATOM 1411 CB PRO A 89 2.237 13.890 -12.028 1.00 64.14 C ATOM 1412 CG PRO A 89 1.855 15.095 -11.238 1.00 41.21 C ATOM 1413 CD PRO A 89 0.818 14.647 -10.241 1.00 54.14 C ATOM 0 HA PRO A 89 1.759 11.786 -11.567 1.00 60.43 H new ATOM 0 HB2 PRO A 89 3.265 13.961 -12.383 1.00 64.14 H new ATOM 0 HB3 PRO A 89 1.603 13.778 -12.908 1.00 64.14 H new ATOM 0 HG2 PRO A 89 2.723 15.517 -10.731 1.00 41.21 H new ATOM 0 HG3 PRO A 89 1.456 15.874 -11.888 1.00 41.21 H new ATOM 0 HD2 PRO A 89 0.938 15.158 -9.286 1.00 54.14 H new ATOM 0 HD3 PRO A 89 -0.191 14.862 -10.593 1.00 54.14 H new ATOM 1421 N SER A 90 3.780 13.111 -9.331 1.00 42.43 N ATOM 1422 CA SER A 90 5.016 12.875 -8.565 1.00 74.14 C ATOM 1423 C SER A 90 4.765 13.046 -7.053 1.00 5.12 C ATOM 1424 O SER A 90 3.983 13.912 -6.645 1.00 31.24 O ATOM 1425 CB SER A 90 6.120 13.834 -9.040 1.00 12.05 C ATOM 1426 OG SER A 90 5.677 15.184 -9.031 1.00 53.13 O ATOM 0 H SER A 90 3.245 13.917 -9.009 1.00 42.43 H new ATOM 0 HA SER A 90 5.341 11.849 -8.739 1.00 74.14 H new ATOM 0 HB2 SER A 90 6.993 13.732 -8.396 1.00 12.05 H new ATOM 0 HB3 SER A 90 6.433 13.560 -10.047 1.00 12.05 H new ATOM 0 HG SER A 90 6.402 15.768 -9.336 1.00 53.13 H new ATOM 1432 N PHE A 91 5.430 12.208 -6.228 1.00 70.31 N ATOM 1433 CA PHE A 91 5.282 12.253 -4.756 1.00 21.20 C ATOM 1434 C PHE A 91 6.610 11.901 -4.046 1.00 24.51 C ATOM 1435 O PHE A 91 7.561 11.454 -4.692 1.00 11.03 O ATOM 1436 CB PHE A 91 4.139 11.306 -4.302 1.00 24.45 C ATOM 1437 CG PHE A 91 4.390 9.830 -4.568 1.00 55.32 C ATOM 1438 CD1 PHE A 91 4.100 9.267 -5.806 1.00 53.03 C ATOM 1439 CD2 PHE A 91 4.924 9.011 -3.578 1.00 20.23 C ATOM 1440 CE1 PHE A 91 4.339 7.928 -6.047 1.00 44.02 C ATOM 1441 CE2 PHE A 91 5.161 7.673 -3.817 1.00 31.43 C ATOM 1442 CZ PHE A 91 4.870 7.130 -5.052 1.00 41.24 C ATOM 0 H PHE A 91 6.076 11.491 -6.557 1.00 70.31 H new ATOM 0 HA PHE A 91 5.021 13.272 -4.471 1.00 21.20 H new ATOM 0 HB2 PHE A 91 3.974 11.445 -3.234 1.00 24.45 H new ATOM 0 HB3 PHE A 91 3.220 11.601 -4.808 1.00 24.45 H new ATOM 0 HD1 PHE A 91 3.683 9.884 -6.588 1.00 53.03 H new ATOM 0 HD2 PHE A 91 5.156 9.428 -2.609 1.00 20.23 H new ATOM 0 HE1 PHE A 91 4.111 7.505 -7.014 1.00 44.02 H new ATOM 0 HE2 PHE A 91 5.574 7.050 -3.037 1.00 31.43 H new ATOM 0 HZ PHE A 91 5.057 6.083 -5.240 1.00 41.24 H new ATOM 1452 N SER A 92 6.665 12.104 -2.712 1.00 24.20 N ATOM 1453 CA SER A 92 7.875 11.806 -1.915 1.00 33.14 C ATOM 1454 C SER A 92 7.817 10.382 -1.327 1.00 20.14 C ATOM 1455 O SER A 92 6.759 9.944 -0.864 1.00 22.34 O ATOM 1456 CB SER A 92 8.040 12.837 -0.787 1.00 21.42 C ATOM 1457 OG SER A 92 8.441 14.098 -1.303 1.00 11.25 O ATOM 0 H SER A 92 5.887 12.472 -2.165 1.00 24.20 H new ATOM 0 HA SER A 92 8.737 11.865 -2.579 1.00 33.14 H new ATOM 0 HB2 SER A 92 7.099 12.944 -0.247 1.00 21.42 H new ATOM 0 HB3 SER A 92 8.780 12.482 -0.070 1.00 21.42 H new ATOM 0 HG SER A 92 8.243 14.798 -0.647 1.00 11.25 H new ATOM 1463 N VAL A 93 8.964 9.666 -1.357 1.00 54.01 N ATOM 1464 CA VAL A 93 9.054 8.281 -0.839 1.00 34.42 C ATOM 1465 C VAL A 93 9.410 8.233 0.667 1.00 23.33 C ATOM 1466 O VAL A 93 8.819 7.445 1.412 1.00 62.42 O ATOM 1467 CB VAL A 93 10.063 7.417 -1.684 1.00 4.11 C ATOM 1468 CG1 VAL A 93 11.535 7.803 -1.447 1.00 33.33 C ATOM 1469 CG2 VAL A 93 9.843 5.918 -1.444 1.00 61.23 C ATOM 0 H VAL A 93 9.841 10.025 -1.735 1.00 54.01 H new ATOM 0 HA VAL A 93 8.060 7.845 -0.945 1.00 34.42 H new ATOM 0 HB VAL A 93 9.851 7.637 -2.730 1.00 4.11 H new ATOM 0 HG11 VAL A 93 12.180 7.171 -2.058 1.00 33.33 H new ATOM 0 HG12 VAL A 93 11.686 8.847 -1.720 1.00 33.33 H new ATOM 0 HG13 VAL A 93 11.783 7.664 -0.395 1.00 33.33 H new ATOM 0 HG21 VAL A 93 10.554 5.346 -2.040 1.00 61.23 H new ATOM 0 HG22 VAL A 93 9.992 5.693 -0.388 1.00 61.23 H new ATOM 0 HG23 VAL A 93 8.827 5.649 -1.733 1.00 61.23 H new ATOM 1479 N LYS A 94 10.375 9.071 1.106 1.00 15.33 N ATOM 1480 CA LYS A 94 10.801 9.110 2.524 1.00 42.41 C ATOM 1481 C LYS A 94 9.763 9.798 3.441 1.00 35.35 C ATOM 1482 O LYS A 94 9.792 9.584 4.658 1.00 60.31 O ATOM 1483 CB LYS A 94 12.197 9.762 2.685 1.00 3.32 C ATOM 1484 CG LYS A 94 12.338 11.191 2.126 1.00 0.43 C ATOM 1485 CD LYS A 94 13.695 11.430 1.444 1.00 74.21 C ATOM 1486 CE LYS A 94 13.800 10.771 0.062 1.00 43.52 C ATOM 1487 NZ LYS A 94 12.862 11.365 -0.940 1.00 34.13 N1+ ATOM 0 H LYS A 94 10.872 9.727 0.503 1.00 15.33 H new ATOM 0 HA LYS A 94 10.872 8.071 2.846 1.00 42.41 H new ATOM 0 HB2 LYS A 94 12.448 9.780 3.745 1.00 3.32 H new ATOM 0 HB3 LYS A 94 12.933 9.126 2.194 1.00 3.32 H new ATOM 0 HG2 LYS A 94 11.538 11.377 1.409 1.00 0.43 H new ATOM 0 HG3 LYS A 94 12.212 11.908 2.937 1.00 0.43 H new ATOM 0 HD2 LYS A 94 13.859 12.503 1.342 1.00 74.21 H new ATOM 0 HD3 LYS A 94 14.489 11.046 2.084 1.00 74.21 H new ATOM 0 HE2 LYS A 94 14.822 10.867 -0.304 1.00 43.52 H new ATOM 0 HE3 LYS A 94 13.594 9.705 0.157 1.00 43.52 H new ATOM 0 HZ1 LYS A 94 13.113 11.030 -1.892 1.00 34.13 H new ATOM 0 HZ2 LYS A 94 11.888 11.077 -0.717 1.00 34.13 H new ATOM 0 HZ3 LYS A 94 12.932 12.402 -0.909 1.00 34.13 H new ATOM 1501 N GLU A 95 8.832 10.597 2.863 1.00 4.13 N ATOM 1502 CA GLU A 95 7.782 11.268 3.653 1.00 13.04 C ATOM 1503 C GLU A 95 6.681 10.248 4.003 1.00 73.02 C ATOM 1504 O GLU A 95 5.872 9.879 3.145 1.00 51.24 O ATOM 1505 CB GLU A 95 7.183 12.474 2.891 1.00 32.54 C ATOM 1506 CG GLU A 95 8.138 13.663 2.752 1.00 20.15 C ATOM 1507 CD GLU A 95 7.430 14.955 2.376 1.00 11.00 C ATOM 1508 OE1 GLU A 95 6.859 15.605 3.279 1.00 52.44 O ATOM 1509 OE2 GLU A 95 7.447 15.318 1.181 1.00 61.21 O1- ATOM 0 H GLU A 95 8.791 10.788 1.862 1.00 4.13 H new ATOM 0 HA GLU A 95 8.228 11.654 4.570 1.00 13.04 H new ATOM 0 HB2 GLU A 95 6.880 12.147 1.896 1.00 32.54 H new ATOM 0 HB3 GLU A 95 6.281 12.804 3.407 1.00 32.54 H new ATOM 0 HG2 GLU A 95 8.669 13.807 3.693 1.00 20.15 H new ATOM 0 HG3 GLU A 95 8.888 13.433 1.995 1.00 20.15 H new ATOM 1516 N HIS A 96 6.688 9.769 5.262 1.00 10.34 N ATOM 1517 CA HIS A 96 5.719 8.755 5.736 1.00 53.35 C ATOM 1518 C HIS A 96 4.420 9.373 6.290 1.00 3.14 C ATOM 1519 O HIS A 96 3.416 8.665 6.413 1.00 74.11 O ATOM 1520 CB HIS A 96 6.374 7.844 6.800 1.00 31.32 C ATOM 1521 CG HIS A 96 7.627 7.134 6.338 1.00 21.30 C ATOM 1522 ND1 HIS A 96 8.457 6.439 7.196 1.00 75.02 N ATOM 1523 CD2 HIS A 96 8.184 7.007 5.104 1.00 15.23 C ATOM 1524 CE1 HIS A 96 9.461 5.917 6.511 1.00 24.10 C ATOM 1525 NE2 HIS A 96 9.317 6.249 5.245 1.00 35.23 N ATOM 0 H HIS A 96 7.355 10.068 5.973 1.00 10.34 H new ATOM 0 HA HIS A 96 5.438 8.161 4.866 1.00 53.35 H new ATOM 0 HB2 HIS A 96 6.616 8.447 7.676 1.00 31.32 H new ATOM 0 HB3 HIS A 96 5.646 7.098 7.118 1.00 31.32 H new ATOM 0 HD2 HIS A 96 7.804 7.426 4.184 1.00 15.23 H new ATOM 0 HE1 HIS A 96 10.262 5.320 6.920 1.00 24.10 H new ATOM 0 HE2 HIS A 96 9.949 5.984 4.489 1.00 35.23 H new ATOM 1534 N ARG A 97 4.427 10.688 6.604 1.00 35.21 N ATOM 1535 CA ARG A 97 3.226 11.380 7.124 1.00 5.43 C ATOM 1536 C ARG A 97 2.328 11.946 5.989 1.00 52.23 C ATOM 1537 O ARG A 97 1.302 12.574 6.275 1.00 4.41 O ATOM 1538 CB ARG A 97 3.615 12.492 8.135 1.00 31.12 C ATOM 1539 CG ARG A 97 4.583 13.559 7.607 1.00 30.45 C ATOM 1540 CD ARG A 97 4.917 14.611 8.667 1.00 64.50 C ATOM 1541 NE ARG A 97 5.553 15.810 8.089 1.00 20.21 N ATOM 1542 CZ ARG A 97 5.936 16.900 8.788 1.00 2.44 C ATOM 1543 NH1 ARG A 97 5.779 16.972 10.118 1.00 65.35 N1+ ATOM 1544 NH2 ARG A 97 6.489 17.929 8.142 1.00 74.32 N ATOM 0 H ARG A 97 5.246 11.288 6.507 1.00 35.21 H new ATOM 0 HA ARG A 97 2.634 10.631 7.650 1.00 5.43 H new ATOM 0 HB2 ARG A 97 2.704 12.988 8.471 1.00 31.12 H new ATOM 0 HB3 ARG A 97 4.063 12.022 9.010 1.00 31.12 H new ATOM 0 HG2 ARG A 97 5.502 13.079 7.271 1.00 30.45 H new ATOM 0 HG3 ARG A 97 4.143 14.048 6.738 1.00 30.45 H new ATOM 0 HD2 ARG A 97 4.004 14.902 9.186 1.00 64.50 H new ATOM 0 HD3 ARG A 97 5.582 14.174 9.412 1.00 64.50 H new ATOM 0 HE ARG A 97 5.716 15.816 7.082 1.00 20.21 H new ATOM 0 HH11 ARG A 97 5.362 16.192 10.625 1.00 65.35 H new ATOM 0 HH12 ARG A 97 6.077 17.807 10.622 1.00 65.35 H new ATOM 0 HH21 ARG A 97 6.618 17.887 7.131 1.00 74.32 H new ATOM 0 HH22 ARG A 97 6.782 18.758 8.659 1.00 74.32 H new ATOM 1558 N LYS A 98 2.706 11.706 4.707 1.00 42.34 N ATOM 1559 CA LYS A 98 1.930 12.173 3.540 1.00 43.13 C ATOM 1560 C LYS A 98 1.296 10.990 2.768 1.00 24.31 C ATOM 1561 O LYS A 98 0.216 11.145 2.190 1.00 3.24 O ATOM 1562 CB LYS A 98 2.834 12.999 2.593 1.00 12.44 C ATOM 1563 CG LYS A 98 2.070 13.847 1.566 1.00 64.13 C ATOM 1564 CD LYS A 98 3.011 14.581 0.607 1.00 75.11 C ATOM 1565 CE LYS A 98 2.248 15.435 -0.408 1.00 0.22 C ATOM 1566 NZ LYS A 98 3.156 16.070 -1.411 1.00 31.02 N1+ ATOM 0 H LYS A 98 3.549 11.188 4.460 1.00 42.34 H new ATOM 0 HA LYS A 98 1.122 12.804 3.910 1.00 43.13 H new ATOM 0 HB2 LYS A 98 3.463 13.657 3.193 1.00 12.44 H new ATOM 0 HB3 LYS A 98 3.500 12.319 2.061 1.00 12.44 H new ATOM 0 HG2 LYS A 98 1.400 13.205 0.994 1.00 64.13 H new ATOM 0 HG3 LYS A 98 1.447 14.573 2.088 1.00 64.13 H new ATOM 0 HD2 LYS A 98 3.687 15.216 1.179 1.00 75.11 H new ATOM 0 HD3 LYS A 98 3.628 13.854 0.078 1.00 75.11 H new ATOM 0 HE2 LYS A 98 1.517 14.814 -0.925 1.00 0.22 H new ATOM 0 HE3 LYS A 98 1.692 16.211 0.118 1.00 0.22 H new ATOM 0 HZ1 LYS A 98 2.594 16.638 -2.077 1.00 31.02 H new ATOM 0 HZ2 LYS A 98 3.838 16.684 -0.922 1.00 31.02 H new ATOM 0 HZ3 LYS A 98 3.668 15.330 -1.933 1.00 31.02 H new ATOM 1580 N ILE A 99 1.979 9.819 2.745 1.00 72.32 N ATOM 1581 CA ILE A 99 1.486 8.624 2.022 1.00 12.13 C ATOM 1582 C ILE A 99 0.469 7.808 2.860 1.00 70.22 C ATOM 1583 O ILE A 99 -0.497 7.284 2.297 1.00 43.24 O ATOM 1584 CB ILE A 99 2.659 7.682 1.550 1.00 55.22 C ATOM 1585 CG1 ILE A 99 3.805 8.492 0.876 1.00 20.20 C ATOM 1586 CG2 ILE A 99 2.139 6.603 0.583 1.00 4.41 C ATOM 1587 CD1 ILE A 99 5.120 7.732 0.722 1.00 33.41 C ATOM 0 H ILE A 99 2.871 9.678 3.219 1.00 72.32 H new ATOM 0 HA ILE A 99 0.976 9.008 1.138 1.00 12.13 H new ATOM 0 HB ILE A 99 3.062 7.196 2.438 1.00 55.22 H new ATOM 0 HG12 ILE A 99 3.471 8.816 -0.110 1.00 20.20 H new ATOM 0 HG13 ILE A 99 3.988 9.392 1.462 1.00 20.20 H new ATOM 0 HG21 ILE A 99 2.966 5.965 0.271 1.00 4.41 H new ATOM 0 HG22 ILE A 99 1.384 5.998 1.085 1.00 4.41 H new ATOM 0 HG23 ILE A 99 1.699 7.081 -0.292 1.00 4.41 H new ATOM 0 HD11 ILE A 99 5.858 8.375 0.243 1.00 33.41 H new ATOM 0 HD12 ILE A 99 5.484 7.431 1.705 1.00 33.41 H new ATOM 0 HD13 ILE A 99 4.958 6.846 0.108 1.00 33.41 H new ATOM 1599 N TYR A 100 0.686 7.690 4.192 1.00 22.30 N ATOM 1600 CA TYR A 100 -0.231 6.917 5.076 1.00 40.23 C ATOM 1601 C TYR A 100 -1.612 7.594 5.224 1.00 21.10 C ATOM 1602 O TYR A 100 -2.626 6.899 5.346 1.00 71.21 O ATOM 1603 CB TYR A 100 0.396 6.679 6.478 1.00 15.03 C ATOM 1604 CG TYR A 100 0.655 5.209 6.818 1.00 52.12 C ATOM 1605 CD1 TYR A 100 -0.391 4.285 6.874 1.00 12.21 C ATOM 1606 CD2 TYR A 100 1.945 4.747 7.086 1.00 4.23 C ATOM 1607 CE1 TYR A 100 -0.158 2.959 7.182 1.00 11.40 C ATOM 1608 CE2 TYR A 100 2.181 3.419 7.395 1.00 44.23 C ATOM 1609 CZ TYR A 100 1.128 2.530 7.442 1.00 24.15 C ATOM 1610 OH TYR A 100 1.360 1.206 7.748 1.00 42.33 O ATOM 0 H TYR A 100 1.477 8.113 4.677 1.00 22.30 H new ATOM 0 HA TYR A 100 -0.381 5.953 4.591 1.00 40.23 H new ATOM 0 HB2 TYR A 100 1.338 7.224 6.538 1.00 15.03 H new ATOM 0 HB3 TYR A 100 -0.265 7.102 7.234 1.00 15.03 H new ATOM 0 HD1 TYR A 100 -1.400 4.613 6.673 1.00 12.21 H new ATOM 0 HD2 TYR A 100 2.774 5.439 7.052 1.00 4.23 H new ATOM 0 HE1 TYR A 100 -0.980 2.259 7.219 1.00 11.40 H new ATOM 0 HE2 TYR A 100 3.186 3.080 7.599 1.00 44.23 H new ATOM 0 HH TYR A 100 2.318 1.069 7.903 1.00 42.33 H new ATOM 1620 N THR A 101 -1.643 8.944 5.207 1.00 61.14 N ATOM 1621 CA THR A 101 -2.899 9.719 5.333 1.00 15.50 C ATOM 1622 C THR A 101 -3.847 9.466 4.136 1.00 74.20 C ATOM 1623 O THR A 101 -5.067 9.403 4.316 1.00 12.34 O ATOM 1624 CB THR A 101 -2.588 11.230 5.462 1.00 32.13 C ATOM 1625 OG1 THR A 101 -1.532 11.449 6.387 1.00 52.13 O ATOM 1626 CG2 THR A 101 -3.767 12.072 5.924 1.00 12.23 C ATOM 0 H THR A 101 -0.809 9.523 5.107 1.00 61.14 H new ATOM 0 HA THR A 101 -3.407 9.382 6.236 1.00 15.50 H new ATOM 0 HB THR A 101 -2.318 11.541 4.453 1.00 32.13 H new ATOM 0 HG1 THR A 101 -0.754 11.812 5.915 1.00 52.13 H new ATOM 0 HG21 THR A 101 -3.465 13.117 5.988 1.00 12.23 H new ATOM 0 HG22 THR A 101 -4.586 11.974 5.211 1.00 12.23 H new ATOM 0 HG23 THR A 101 -4.097 11.729 6.905 1.00 12.23 H new ATOM 1634 N MET A 102 -3.271 9.311 2.922 1.00 63.04 N ATOM 1635 CA MET A 102 -4.053 9.051 1.691 1.00 64.41 C ATOM 1636 C MET A 102 -4.642 7.623 1.687 1.00 70.21 C ATOM 1637 O MET A 102 -5.739 7.405 1.164 1.00 71.23 O ATOM 1638 CB MET A 102 -3.179 9.262 0.432 1.00 21.40 C ATOM 1639 CG MET A 102 -2.660 10.693 0.248 1.00 21.33 C ATOM 1640 SD MET A 102 -3.895 11.820 -0.442 1.00 11.34 S ATOM 1641 CE MET A 102 -3.076 13.398 -0.228 1.00 24.45 C ATOM 0 H MET A 102 -2.264 9.362 2.768 1.00 63.04 H new ATOM 0 HA MET A 102 -4.879 9.762 1.674 1.00 64.41 H new ATOM 0 HB2 MET A 102 -2.327 8.584 0.479 1.00 21.40 H new ATOM 0 HB3 MET A 102 -3.759 8.984 -0.448 1.00 21.40 H new ATOM 0 HG2 MET A 102 -2.326 11.077 1.212 1.00 21.33 H new ATOM 0 HG3 MET A 102 -1.789 10.675 -0.407 1.00 21.33 H new ATOM 0 HE1 MET A 102 -3.716 14.195 -0.608 1.00 24.45 H new ATOM 0 HE2 MET A 102 -2.879 13.565 0.831 1.00 24.45 H new ATOM 0 HE3 MET A 102 -2.134 13.397 -0.777 1.00 24.45 H new ATOM 1651 N ILE A 103 -3.909 6.661 2.287 1.00 2.42 N ATOM 1652 CA ILE A 103 -4.347 5.250 2.377 1.00 11.32 C ATOM 1653 C ILE A 103 -5.526 5.086 3.375 1.00 62.21 C ATOM 1654 O ILE A 103 -6.304 4.139 3.252 1.00 42.12 O ATOM 1655 CB ILE A 103 -3.138 4.322 2.780 1.00 14.11 C ATOM 1656 CG1 ILE A 103 -2.044 4.363 1.679 1.00 62.13 C ATOM 1657 CG2 ILE A 103 -3.568 2.867 3.054 1.00 72.33 C ATOM 1658 CD1 ILE A 103 -0.658 3.960 2.152 1.00 11.52 C ATOM 0 H ILE A 103 -3.003 6.838 2.720 1.00 2.42 H new ATOM 0 HA ILE A 103 -4.704 4.946 1.393 1.00 11.32 H new ATOM 0 HB ILE A 103 -2.733 4.712 3.714 1.00 14.11 H new ATOM 0 HG12 ILE A 103 -2.342 3.703 0.864 1.00 62.13 H new ATOM 0 HG13 ILE A 103 -1.995 5.372 1.271 1.00 62.13 H new ATOM 0 HG21 ILE A 103 -2.695 2.275 3.327 1.00 72.33 H new ATOM 0 HG22 ILE A 103 -4.289 2.848 3.871 1.00 72.33 H new ATOM 0 HG23 ILE A 103 -4.025 2.448 2.158 1.00 72.33 H new ATOM 0 HD11 ILE A 103 0.042 4.018 1.318 1.00 11.52 H new ATOM 0 HD12 ILE A 103 -0.334 4.634 2.945 1.00 11.52 H new ATOM 0 HD13 ILE A 103 -0.686 2.939 2.532 1.00 11.52 H new ATOM 1670 N TYR A 104 -5.643 6.012 4.354 1.00 45.04 N ATOM 1671 CA TYR A 104 -6.715 5.974 5.374 1.00 53.51 C ATOM 1672 C TYR A 104 -8.093 6.454 4.837 1.00 11.41 C ATOM 1673 O TYR A 104 -9.115 6.189 5.479 1.00 62.31 O ATOM 1674 CB TYR A 104 -6.291 6.830 6.595 1.00 62.34 C ATOM 1675 CG TYR A 104 -7.284 6.841 7.758 1.00 2.51 C ATOM 1676 CD1 TYR A 104 -7.422 5.738 8.599 1.00 51.31 C ATOM 1677 CD2 TYR A 104 -8.082 7.956 8.008 1.00 21.45 C ATOM 1678 CE1 TYR A 104 -8.320 5.749 9.649 1.00 61.44 C ATOM 1679 CE2 TYR A 104 -8.981 7.972 9.056 1.00 4.22 C ATOM 1680 CZ TYR A 104 -9.097 6.868 9.873 1.00 62.30 C ATOM 1681 OH TYR A 104 -9.992 6.880 10.920 1.00 74.03 O ATOM 0 H TYR A 104 -5.003 6.799 4.459 1.00 45.04 H new ATOM 0 HA TYR A 104 -6.846 4.932 5.664 1.00 53.51 H new ATOM 0 HB2 TYR A 104 -5.332 6.463 6.960 1.00 62.34 H new ATOM 0 HB3 TYR A 104 -6.134 7.856 6.262 1.00 62.34 H new ATOM 0 HD1 TYR A 104 -6.817 4.860 8.427 1.00 51.31 H new ATOM 0 HD2 TYR A 104 -7.996 8.823 7.370 1.00 21.45 H new ATOM 0 HE1 TYR A 104 -8.414 4.886 10.292 1.00 61.44 H new ATOM 0 HE2 TYR A 104 -9.590 8.846 9.235 1.00 4.22 H new ATOM 0 HH TYR A 104 -10.460 7.741 10.941 1.00 74.03 H new ATOM 1691 N ARG A 105 -8.125 7.169 3.690 1.00 42.30 N ATOM 1692 CA ARG A 105 -9.393 7.691 3.124 1.00 33.20 C ATOM 1693 C ARG A 105 -9.979 6.823 1.989 1.00 44.50 C ATOM 1694 O ARG A 105 -11.175 6.942 1.703 1.00 44.43 O ATOM 1695 CB ARG A 105 -9.190 9.137 2.612 1.00 14.00 C ATOM 1696 CG ARG A 105 -9.034 10.189 3.719 1.00 33.40 C ATOM 1697 CD ARG A 105 -10.381 10.630 4.307 1.00 22.33 C ATOM 1698 NE ARG A 105 -10.891 9.696 5.331 1.00 45.32 N ATOM 1699 CZ ARG A 105 -12.180 9.600 5.730 1.00 60.11 C ATOM 1700 NH1 ARG A 105 -13.134 10.392 5.219 1.00 53.25 N1+ ATOM 1701 NH2 ARG A 105 -12.514 8.703 6.660 1.00 4.15 N ATOM 0 H ARG A 105 -7.296 7.397 3.141 1.00 42.30 H new ATOM 0 HA ARG A 105 -10.116 7.666 3.940 1.00 33.20 H new ATOM 0 HB2 ARG A 105 -8.305 9.163 1.977 1.00 14.00 H new ATOM 0 HB3 ARG A 105 -10.040 9.410 1.986 1.00 14.00 H new ATOM 0 HG2 ARG A 105 -8.409 9.784 4.515 1.00 33.40 H new ATOM 0 HG3 ARG A 105 -8.514 11.059 3.318 1.00 33.40 H new ATOM 0 HD2 ARG A 105 -10.273 11.621 4.747 1.00 22.33 H new ATOM 0 HD3 ARG A 105 -11.112 10.716 3.503 1.00 22.33 H new ATOM 0 HE ARG A 105 -10.216 9.072 5.774 1.00 45.32 H new ATOM 0 HH11 ARG A 105 -12.895 11.087 4.512 1.00 53.25 H new ATOM 0 HH12 ARG A 105 -14.099 10.299 5.537 1.00 53.25 H new ATOM 0 HH21 ARG A 105 -11.800 8.097 7.064 1.00 4.15 H new ATOM 0 HH22 ARG A 105 -13.483 8.624 6.967 1.00 4.15 H new ATOM 1715 N ASN A 106 -9.156 5.979 1.328 1.00 23.11 N ATOM 1716 CA ASN A 106 -9.638 5.136 0.208 1.00 5.00 C ATOM 1717 C ASN A 106 -9.566 3.623 0.528 1.00 11.40 C ATOM 1718 O ASN A 106 -9.137 2.829 -0.316 1.00 11.22 O ATOM 1719 CB ASN A 106 -8.829 5.453 -1.073 1.00 4.13 C ATOM 1720 CG ASN A 106 -9.004 6.889 -1.562 1.00 4.25 C ATOM 1721 OD1 ASN A 106 -9.927 7.184 -2.322 1.00 64.04 O ATOM 1722 ND2 ASN A 106 -8.117 7.793 -1.134 1.00 32.30 N ATOM 0 H ASN A 106 -8.166 5.863 1.546 1.00 23.11 H new ATOM 0 HA ASN A 106 -10.689 5.376 0.050 1.00 5.00 H new ATOM 0 HB2 ASN A 106 -7.772 5.269 -0.881 1.00 4.13 H new ATOM 0 HB3 ASN A 106 -9.133 4.768 -1.864 1.00 4.13 H new ATOM 0 HD21 ASN A 106 -8.192 8.764 -1.437 1.00 32.30 H new ATOM 0 HD22 ASN A 106 -7.365 7.512 -0.505 1.00 32.30 H new ATOM 1729 N LEU A 107 -10.006 3.215 1.739 1.00 55.11 N ATOM 1730 CA LEU A 107 -9.989 1.786 2.129 1.00 0.32 C ATOM 1731 C LEU A 107 -11.141 1.420 3.093 1.00 14.43 C ATOM 1732 O LEU A 107 -11.834 2.305 3.608 1.00 3.42 O ATOM 1733 CB LEU A 107 -8.588 1.391 2.698 1.00 25.42 C ATOM 1734 CG LEU A 107 -8.224 1.748 4.177 1.00 1.31 C ATOM 1735 CD1 LEU A 107 -8.790 3.098 4.635 1.00 20.30 C ATOM 1736 CD2 LEU A 107 -8.641 0.632 5.139 1.00 52.44 C ATOM 0 H LEU A 107 -10.372 3.843 2.454 1.00 55.11 H new ATOM 0 HA LEU A 107 -10.163 1.196 1.229 1.00 0.32 H new ATOM 0 HB2 LEU A 107 -8.485 0.311 2.589 1.00 25.42 H new ATOM 0 HB3 LEU A 107 -7.835 1.850 2.057 1.00 25.42 H new ATOM 0 HG LEU A 107 -7.138 1.843 4.200 1.00 1.31 H new ATOM 0 HD11 LEU A 107 -8.500 3.282 5.669 1.00 20.30 H new ATOM 0 HD12 LEU A 107 -8.396 3.892 4.001 1.00 20.30 H new ATOM 0 HD13 LEU A 107 -9.877 3.081 4.561 1.00 20.30 H new ATOM 0 HD21 LEU A 107 -8.374 0.911 6.158 1.00 52.44 H new ATOM 0 HD22 LEU A 107 -9.718 0.480 5.075 1.00 52.44 H new ATOM 0 HD23 LEU A 107 -8.128 -0.291 4.870 1.00 52.44 H new ATOM 1748 N VAL A 108 -11.332 0.101 3.323 1.00 53.20 N ATOM 1749 CA VAL A 108 -12.387 -0.417 4.217 1.00 54.33 C ATOM 1750 C VAL A 108 -11.768 -1.217 5.385 1.00 73.32 C ATOM 1751 O VAL A 108 -10.744 -1.885 5.206 1.00 14.33 O ATOM 1752 CB VAL A 108 -13.429 -1.288 3.423 1.00 1.43 C ATOM 1753 CG1 VAL A 108 -12.820 -2.586 2.871 1.00 52.23 C ATOM 1754 CG2 VAL A 108 -14.674 -1.582 4.270 1.00 62.32 C ATOM 0 H VAL A 108 -10.762 -0.629 2.896 1.00 53.20 H new ATOM 0 HA VAL A 108 -12.922 0.435 4.636 1.00 54.33 H new ATOM 0 HB VAL A 108 -13.734 -0.692 2.563 1.00 1.43 H new ATOM 0 HG11 VAL A 108 -13.584 -3.146 2.333 1.00 52.23 H new ATOM 0 HG12 VAL A 108 -12.002 -2.344 2.192 1.00 52.23 H new ATOM 0 HG13 VAL A 108 -12.441 -3.190 3.696 1.00 52.23 H new ATOM 0 HG21 VAL A 108 -15.373 -2.186 3.692 1.00 62.32 H new ATOM 0 HG22 VAL A 108 -14.383 -2.126 5.169 1.00 62.32 H new ATOM 0 HG23 VAL A 108 -15.152 -0.644 4.552 1.00 62.32 H new ATOM 1764 N VAL A 109 -12.398 -1.135 6.577 1.00 62.21 N ATOM 1765 CA VAL A 109 -11.916 -1.843 7.785 1.00 72.20 C ATOM 1766 C VAL A 109 -13.041 -2.659 8.451 1.00 15.53 C ATOM 1767 O VAL A 109 -14.226 -2.431 8.183 1.00 4.31 O ATOM 1768 CB VAL A 109 -11.282 -0.866 8.835 1.00 4.03 C ATOM 1769 CG1 VAL A 109 -9.868 -0.457 8.421 1.00 20.10 C ATOM 1770 CG2 VAL A 109 -12.157 0.373 9.075 1.00 32.22 C ATOM 0 H VAL A 109 -13.243 -0.585 6.729 1.00 62.21 H new ATOM 0 HA VAL A 109 -11.138 -2.526 7.443 1.00 72.20 H new ATOM 0 HB VAL A 109 -11.223 -1.409 9.778 1.00 4.03 H new ATOM 0 HG11 VAL A 109 -9.452 0.221 9.167 1.00 20.10 H new ATOM 0 HG12 VAL A 109 -9.240 -1.345 8.347 1.00 20.10 H new ATOM 0 HG13 VAL A 109 -9.903 0.045 7.454 1.00 20.10 H new ATOM 0 HG21 VAL A 109 -11.678 1.020 9.809 1.00 32.22 H new ATOM 0 HG22 VAL A 109 -12.282 0.917 8.139 1.00 32.22 H new ATOM 0 HG23 VAL A 109 -13.133 0.062 9.448 1.00 32.22 H new ATOM 1780 N VAL A 110 -12.650 -3.611 9.325 1.00 44.43 N ATOM 1781 CA VAL A 110 -13.605 -4.476 10.046 1.00 13.20 C ATOM 1782 C VAL A 110 -14.007 -3.837 11.393 1.00 64.21 C ATOM 1783 O VAL A 110 -15.197 -3.614 11.639 1.00 3.32 O ATOM 1784 CB VAL A 110 -13.026 -5.918 10.278 1.00 35.55 C ATOM 1785 CG1 VAL A 110 -14.084 -6.864 10.862 1.00 22.13 C ATOM 1786 CG2 VAL A 110 -12.453 -6.499 8.977 1.00 54.42 C ATOM 0 H VAL A 110 -11.673 -3.800 9.548 1.00 44.43 H new ATOM 0 HA VAL A 110 -14.493 -4.572 9.421 1.00 13.20 H new ATOM 0 HB VAL A 110 -12.217 -5.827 11.003 1.00 35.55 H new ATOM 0 HG11 VAL A 110 -13.647 -7.852 11.009 1.00 22.13 H new ATOM 0 HG12 VAL A 110 -14.431 -6.475 11.819 1.00 22.13 H new ATOM 0 HG13 VAL A 110 -14.926 -6.938 10.173 1.00 22.13 H new ATOM 0 HG21 VAL A 110 -12.059 -7.497 9.167 1.00 54.42 H new ATOM 0 HG22 VAL A 110 -13.241 -6.556 8.226 1.00 54.42 H new ATOM 0 HG23 VAL A 110 -11.652 -5.856 8.613 1.00 54.42 H new ATOM 1796 N ASN A 111 -13.007 -3.538 12.254 1.00 45.24 N ATOM 1797 CA ASN A 111 -13.254 -2.915 13.573 1.00 20.50 C ATOM 1798 C ASN A 111 -13.004 -1.395 13.503 1.00 53.21 C ATOM 1799 O ASN A 111 -11.890 -0.959 13.192 1.00 14.13 O ATOM 1800 CB ASN A 111 -12.392 -3.577 14.680 1.00 33.51 C ATOM 1801 CG ASN A 111 -10.890 -3.600 14.380 1.00 11.22 C ATOM 1802 OD1 ASN A 111 -10.422 -4.430 13.600 1.00 75.31 O ATOM 1803 ND2 ASN A 111 -10.126 -2.695 14.997 1.00 24.23 N ATOM 0 H ASN A 111 -12.022 -3.718 12.058 1.00 45.24 H new ATOM 0 HA ASN A 111 -14.299 -3.078 13.837 1.00 20.50 H new ATOM 0 HB2 ASN A 111 -12.555 -3.046 15.618 1.00 33.51 H new ATOM 0 HB3 ASN A 111 -12.737 -4.600 14.829 1.00 33.51 H new ATOM 0 HD21 ASN A 111 -9.120 -2.676 14.828 1.00 24.23 H new ATOM 0 HD22 ASN A 111 -10.548 -2.022 15.637 1.00 24.23 H new ATOM 1810 N GLN A 112 -14.060 -0.599 13.773 1.00 2.02 N ATOM 1811 CA GLN A 112 -13.984 0.876 13.724 1.00 50.44 C ATOM 1812 C GLN A 112 -14.219 1.501 15.110 1.00 21.33 C ATOM 1813 O GLN A 112 -14.780 0.857 16.003 1.00 15.23 O ATOM 1814 CB GLN A 112 -15.027 1.429 12.727 1.00 50.42 C ATOM 1815 CG GLN A 112 -14.751 1.071 11.269 1.00 22.12 C ATOM 1816 CD GLN A 112 -15.895 1.453 10.334 1.00 3.22 C ATOM 1817 OE1 GLN A 112 -16.901 0.746 10.255 1.00 2.04 O ATOM 1818 NE2 GLN A 112 -15.754 2.570 9.615 1.00 43.54 N ATOM 0 H GLN A 112 -14.981 -0.956 14.029 1.00 2.02 H new ATOM 0 HA GLN A 112 -12.980 1.143 13.394 1.00 50.44 H new ATOM 0 HB2 GLN A 112 -16.012 1.051 13.002 1.00 50.42 H new ATOM 0 HB3 GLN A 112 -15.064 2.514 12.822 1.00 50.42 H new ATOM 0 HG2 GLN A 112 -13.840 1.573 10.944 1.00 22.12 H new ATOM 0 HG3 GLN A 112 -14.569 -0.001 11.192 1.00 22.12 H new ATOM 0 HE21 GLN A 112 -14.907 3.131 9.706 1.00 43.54 H new ATOM 0 HE22 GLN A 112 -16.493 2.861 8.975 1.00 43.54 H new ATOM 1827 N GLN A 113 -13.803 2.777 15.267 1.00 13.30 N ATOM 1828 CA GLN A 113 -13.983 3.524 16.531 1.00 35.14 C ATOM 1829 C GLN A 113 -15.448 3.980 16.683 1.00 71.10 C ATOM 1830 O GLN A 113 -16.025 3.868 17.769 1.00 60.40 O ATOM 1831 CB GLN A 113 -13.039 4.746 16.588 1.00 30.43 C ATOM 1832 CG GLN A 113 -11.552 4.387 16.630 1.00 22.01 C ATOM 1833 CD GLN A 113 -10.642 5.609 16.545 1.00 41.25 C ATOM 1834 OE1 GLN A 113 -10.267 6.036 15.452 1.00 35.44 O ATOM 1835 NE2 GLN A 113 -10.277 6.181 17.696 1.00 72.42 N ATOM 0 H GLN A 113 -13.339 3.312 14.532 1.00 13.30 H new ATOM 0 HA GLN A 113 -13.733 2.857 17.356 1.00 35.14 H new ATOM 0 HB2 GLN A 113 -13.225 5.376 15.718 1.00 30.43 H new ATOM 0 HB3 GLN A 113 -13.283 5.339 17.469 1.00 30.43 H new ATOM 0 HG2 GLN A 113 -11.340 3.846 17.552 1.00 22.01 H new ATOM 0 HG3 GLN A 113 -11.323 3.712 15.805 1.00 22.01 H new ATOM 0 HE21 GLN A 113 -10.607 5.799 18.582 1.00 72.42 H new ATOM 0 HE22 GLN A 113 -9.668 6.999 17.688 1.00 72.42 H new ATOM 1844 N GLU A 114 -16.041 4.474 15.573 1.00 54.44 N ATOM 1845 CA GLU A 114 -17.442 4.933 15.543 1.00 15.43 C ATOM 1846 C GLU A 114 -18.326 3.870 14.858 1.00 62.32 C ATOM 1847 O GLU A 114 -17.820 3.043 14.091 1.00 72.21 O ATOM 1848 CB GLU A 114 -17.539 6.293 14.801 1.00 50.11 C ATOM 1849 CG GLU A 114 -18.632 7.234 15.319 1.00 35.35 C ATOM 1850 CD GLU A 114 -18.276 7.897 16.643 1.00 71.45 C ATOM 1851 OE1 GLU A 114 -18.589 7.314 17.704 1.00 14.43 O1- ATOM 1852 OE2 GLU A 114 -17.683 8.996 16.616 1.00 20.21 O ATOM 0 H GLU A 114 -15.561 4.564 14.677 1.00 54.44 H new ATOM 0 HA GLU A 114 -17.798 5.073 16.564 1.00 15.43 H new ATOM 0 HB2 GLU A 114 -16.577 6.801 14.876 1.00 50.11 H new ATOM 0 HB3 GLU A 114 -17.717 6.101 13.743 1.00 50.11 H new ATOM 0 HG2 GLU A 114 -18.821 8.006 14.573 1.00 35.35 H new ATOM 0 HG3 GLU A 114 -19.559 6.673 15.439 1.00 35.35 H new ATOM 1859 N SER A 115 -19.647 3.892 15.140 1.00 71.44 N ATOM 1860 CA SER A 115 -20.595 2.920 14.551 1.00 15.25 C ATOM 1861 C SER A 115 -20.826 3.195 13.050 1.00 5.34 C ATOM 1862 O SER A 115 -21.457 4.195 12.687 1.00 14.44 O ATOM 1863 CB SER A 115 -21.936 2.939 15.308 1.00 62.35 C ATOM 1864 OG SER A 115 -21.756 2.623 16.679 1.00 15.52 O ATOM 0 H SER A 115 -20.080 4.569 15.769 1.00 71.44 H new ATOM 0 HA SER A 115 -20.151 1.929 14.648 1.00 15.25 H new ATOM 0 HB2 SER A 115 -22.394 3.924 15.216 1.00 62.35 H new ATOM 0 HB3 SER A 115 -22.623 2.224 14.855 1.00 62.35 H new ATOM 0 HG SER A 115 -22.623 2.644 17.136 1.00 15.52 H new ATOM 1870 N SER A 116 -20.297 2.301 12.185 1.00 12.13 N ATOM 1871 CA SER A 116 -20.429 2.433 10.718 1.00 22.11 C ATOM 1872 C SER A 116 -20.370 1.058 10.023 1.00 30.53 C ATOM 1873 O SER A 116 -19.781 0.112 10.558 1.00 41.24 O ATOM 1874 CB SER A 116 -19.322 3.344 10.159 1.00 53.30 C ATOM 1875 OG SER A 116 -19.423 4.660 10.681 1.00 61.41 O ATOM 0 H SER A 116 -19.773 1.477 12.480 1.00 12.13 H new ATOM 0 HA SER A 116 -21.402 2.880 10.514 1.00 22.11 H new ATOM 0 HB2 SER A 116 -18.346 2.927 10.406 1.00 53.30 H new ATOM 0 HB3 SER A 116 -19.389 3.376 9.072 1.00 53.30 H new ATOM 0 HG SER A 116 -18.706 5.215 10.309 1.00 61.41 H new ATOM 1881 N ASP A 117 -20.984 0.964 8.824 1.00 74.42 N ATOM 1882 CA ASP A 117 -21.012 -0.283 8.033 1.00 74.42 C ATOM 1883 C ASP A 117 -20.642 -0.007 6.562 1.00 31.03 C ATOM 1884 O ASP A 117 -20.912 1.085 6.048 1.00 22.12 O ATOM 1885 CB ASP A 117 -22.408 -0.935 8.125 1.00 34.11 C ATOM 1886 CG ASP A 117 -22.398 -2.420 7.784 1.00 23.44 C ATOM 1887 OD1 ASP A 117 -22.573 -2.758 6.594 1.00 75.32 O1- ATOM 1888 OD2 ASP A 117 -22.214 -3.240 8.708 1.00 0.54 O ATOM 0 H ASP A 117 -21.470 1.744 8.381 1.00 74.42 H new ATOM 0 HA ASP A 117 -20.273 -0.971 8.444 1.00 74.42 H new ATOM 0 HB2 ASP A 117 -22.798 -0.803 9.134 1.00 34.11 H new ATOM 0 HB3 ASP A 117 -23.089 -0.418 7.449 1.00 34.11 H new ATOM 1893 N SER A 118 -20.021 -1.005 5.895 1.00 22.23 N ATOM 1894 CA SER A 118 -19.607 -0.884 4.484 1.00 55.43 C ATOM 1895 C SER A 118 -20.203 -2.016 3.624 1.00 30.15 C ATOM 1896 O SER A 118 -20.961 -1.741 2.688 1.00 23.45 O ATOM 1897 CB SER A 118 -18.069 -0.875 4.382 1.00 5.03 C ATOM 1898 OG SER A 118 -17.639 -0.557 3.066 1.00 23.43 O ATOM 0 H SER A 118 -19.796 -1.906 6.316 1.00 22.23 H new ATOM 0 HA SER A 118 -19.992 0.060 4.097 1.00 55.43 H new ATOM 0 HB2 SER A 118 -17.660 -0.149 5.085 1.00 5.03 H new ATOM 0 HB3 SER A 118 -17.678 -1.851 4.668 1.00 5.03 H new ATOM 0 HG SER A 118 -16.710 -0.246 3.092 1.00 23.43 H new ATOM 1904 N GLY A 119 -19.861 -3.283 3.945 1.00 52.21 N ATOM 1905 CA GLY A 119 -20.376 -4.428 3.187 1.00 75.11 C ATOM 1906 C GLY A 119 -19.639 -5.734 3.482 1.00 63.42 C ATOM 1907 O GLY A 119 -18.856 -5.804 4.435 1.00 23.42 O ATOM 0 H GLY A 119 -19.239 -3.530 4.714 1.00 52.21 H new ATOM 0 HA2 GLY A 119 -21.434 -4.558 3.414 1.00 75.11 H new ATOM 0 HA3 GLY A 119 -20.303 -4.211 2.121 1.00 75.11 H new ATOM 1911 N THR A 120 -19.897 -6.774 2.658 1.00 15.03 N ATOM 1912 CA THR A 120 -19.261 -8.097 2.823 1.00 70.42 C ATOM 1913 C THR A 120 -18.885 -8.699 1.451 1.00 71.42 C ATOM 1914 O THR A 120 -19.767 -9.038 0.655 1.00 71.55 O ATOM 1915 CB THR A 120 -20.203 -9.054 3.597 1.00 53.14 C ATOM 1916 OG1 THR A 120 -20.805 -8.391 4.699 1.00 54.44 O ATOM 1917 CG2 THR A 120 -19.513 -10.294 4.147 1.00 30.23 C ATOM 0 H THR A 120 -20.543 -6.721 1.871 1.00 15.03 H new ATOM 0 HA THR A 120 -18.345 -7.968 3.400 1.00 70.42 H new ATOM 0 HB THR A 120 -20.941 -9.366 2.858 1.00 53.14 H new ATOM 0 HG1 THR A 120 -21.396 -9.013 5.172 1.00 54.44 H new ATOM 0 HG21 THR A 120 -20.240 -10.911 4.675 1.00 30.23 H new ATOM 0 HG22 THR A 120 -19.081 -10.865 3.325 1.00 30.23 H new ATOM 0 HG23 THR A 120 -18.723 -9.995 4.836 1.00 30.23 H new ATOM 1925 N SER A 121 -17.566 -8.827 1.187 1.00 2.01 N ATOM 1926 CA SER A 121 -17.059 -9.390 -0.082 1.00 64.02 C ATOM 1927 C SER A 121 -15.639 -9.958 0.097 1.00 62.34 C ATOM 1928 O SER A 121 -14.759 -9.267 0.620 1.00 25.51 O ATOM 1929 CB SER A 121 -17.062 -8.322 -1.192 1.00 72.11 C ATOM 1930 OG SER A 121 -16.726 -8.885 -2.452 1.00 52.24 O ATOM 0 H SER A 121 -16.832 -8.547 1.838 1.00 2.01 H new ATOM 0 HA SER A 121 -17.724 -10.203 -0.375 1.00 64.02 H new ATOM 0 HB2 SER A 121 -18.046 -7.858 -1.250 1.00 72.11 H new ATOM 0 HB3 SER A 121 -16.352 -7.534 -0.943 1.00 72.11 H new ATOM 0 HG SER A 121 -16.738 -8.184 -3.137 1.00 52.24 H new ATOM 1936 N VAL A 122 -15.428 -11.218 -0.337 1.00 14.41 N ATOM 1937 CA VAL A 122 -14.116 -11.891 -0.224 1.00 41.40 C ATOM 1938 C VAL A 122 -13.724 -12.538 -1.568 1.00 32.42 C ATOM 1939 O VAL A 122 -14.573 -13.119 -2.253 1.00 14.42 O ATOM 1940 CB VAL A 122 -14.110 -12.981 0.905 1.00 13.14 C ATOM 1941 CG1 VAL A 122 -12.696 -13.531 1.152 1.00 71.41 C ATOM 1942 CG2 VAL A 122 -14.704 -12.438 2.212 1.00 24.33 C ATOM 0 H VAL A 122 -16.152 -11.792 -0.770 1.00 14.41 H new ATOM 0 HA VAL A 122 -13.386 -11.126 0.041 1.00 41.40 H new ATOM 0 HB VAL A 122 -14.738 -13.801 0.557 1.00 13.14 H new ATOM 0 HG11 VAL A 122 -12.731 -14.283 1.940 1.00 71.41 H new ATOM 0 HG12 VAL A 122 -12.316 -13.983 0.236 1.00 71.41 H new ATOM 0 HG13 VAL A 122 -12.037 -12.718 1.456 1.00 71.41 H new ATOM 0 HG21 VAL A 122 -14.685 -13.219 2.972 1.00 24.33 H new ATOM 0 HG22 VAL A 122 -14.116 -11.585 2.552 1.00 24.33 H new ATOM 0 HG23 VAL A 122 -15.734 -12.124 2.041 1.00 24.33 H new ATOM 1952 N SER A 123 -12.427 -12.437 -1.925 1.00 64.43 N ATOM 1953 CA SER A 123 -11.894 -13.009 -3.175 1.00 12.34 C ATOM 1954 C SER A 123 -10.599 -13.793 -2.900 1.00 55.02 C ATOM 1955 O SER A 123 -9.643 -13.239 -2.345 1.00 2.32 O ATOM 1956 CB SER A 123 -11.639 -11.896 -4.204 1.00 21.42 C ATOM 1957 OG SER A 123 -10.757 -10.906 -3.690 1.00 41.43 O ATOM 0 H SER A 123 -11.726 -11.960 -1.358 1.00 64.43 H new ATOM 0 HA SER A 123 -12.633 -13.698 -3.584 1.00 12.34 H new ATOM 0 HB2 SER A 123 -11.215 -12.327 -5.111 1.00 21.42 H new ATOM 0 HB3 SER A 123 -12.585 -11.433 -4.483 1.00 21.42 H new ATOM 0 HG SER A 123 -10.182 -11.305 -3.004 1.00 41.43 H new ATOM 1963 N GLU A 124 -10.579 -15.087 -3.283 1.00 1.04 N ATOM 1964 CA GLU A 124 -9.405 -15.957 -3.070 1.00 51.01 C ATOM 1965 C GLU A 124 -9.261 -17.007 -4.190 1.00 62.31 C ATOM 1966 O GLU A 124 -10.239 -17.335 -4.870 1.00 20.13 O ATOM 1967 CB GLU A 124 -9.488 -16.646 -1.685 1.00 65.21 C ATOM 1968 CG GLU A 124 -10.713 -17.554 -1.475 1.00 62.23 C ATOM 1969 CD GLU A 124 -10.414 -19.029 -1.698 1.00 15.22 C ATOM 1970 OE1 GLU A 124 -9.818 -19.657 -0.797 1.00 24.35 O1- ATOM 1971 OE2 GLU A 124 -10.774 -19.554 -2.773 1.00 51.52 O ATOM 0 H GLU A 124 -11.363 -15.552 -3.741 1.00 1.04 H new ATOM 0 HA GLU A 124 -8.517 -15.326 -3.098 1.00 51.01 H new ATOM 0 HB2 GLU A 124 -8.586 -17.241 -1.539 1.00 65.21 H new ATOM 0 HB3 GLU A 124 -9.491 -15.876 -0.914 1.00 65.21 H new ATOM 0 HG2 GLU A 124 -11.089 -17.416 -0.461 1.00 62.23 H new ATOM 0 HG3 GLU A 124 -11.507 -17.244 -2.155 1.00 62.23 H new ATOM 1978 N ASN A 125 -8.030 -17.532 -4.361 1.00 1.21 N ATOM 1979 CA ASN A 125 -7.732 -18.552 -5.385 1.00 33.42 C ATOM 1980 C ASN A 125 -7.636 -19.944 -4.750 1.00 62.31 C ATOM 1981 O ASN A 125 -8.274 -20.879 -5.279 1.00 31.42 O ATOM 1982 CB ASN A 125 -6.418 -18.214 -6.121 1.00 15.33 C ATOM 1983 CG ASN A 125 -6.547 -16.999 -7.040 1.00 34.22 C ATOM 1984 OD1 ASN A 125 -6.792 -15.885 -6.574 1.00 24.35 O ATOM 1985 ND2 ASN A 125 -6.382 -17.200 -8.351 1.00 14.53 N ATOM 1986 OXT ASN A 125 -6.923 -20.087 -3.732 1.00 37.34 O1- ATOM 0 H ASN A 125 -7.223 -17.263 -3.799 1.00 1.21 H new ATOM 0 HA ASN A 125 -8.548 -18.554 -6.108 1.00 33.42 H new ATOM 0 HB2 ASN A 125 -5.634 -18.027 -5.387 1.00 15.33 H new ATOM 0 HB3 ASN A 125 -6.105 -19.077 -6.709 1.00 15.33 H new ATOM 0 HD21 ASN A 125 -6.458 -16.417 -9.001 1.00 14.53 H new ATOM 0 HD22 ASN A 125 -6.180 -18.136 -8.702 1.00 14.53 H new TER 1993 ASN A 125 HETATM 1994 C1 13Q A 201 8.138 3.473 0.765 1.00 20.00 C HETATM 1995 C2 13Q A 201 7.050 3.792 -0.039 1.00 20.00 C HETATM 1996 C3 13Q A 201 5.927 2.972 -0.046 1.00 20.00 C HETATM 1997 C4 13Q A 201 5.896 1.830 0.746 1.00 20.00 C HETATM 1998 C5 13Q A 201 6.985 1.512 1.552 1.00 20.00 C HETATM 1999 C6 13Q A 201 8.105 2.335 1.565 1.00 20.00 C HETATM 2000 C7 13Q A 201 9.170 2.041 2.410 1.00 20.00 C HETATM 2001 N1 13Q A 201 10.408 1.792 1.637 1.00 20.00 N HETATM 2002 O1 13Q A 201 12.585 1.963 1.351 1.00 20.00 O HETATM 2003 C8 13Q A 201 11.608 2.230 2.050 1.00 20.00 C HETATM 2004 O2 13Q A 201 12.248 6.348 4.240 1.00 20.00 O HETATM 2005 C9 13Q A 201 11.800 2.963 3.218 1.00 20.00 C HETATM 2006 C10 13Q A 201 10.637 2.837 4.192 1.00 20.00 C HETATM 2007 C11 13Q A 201 9.374 3.163 3.413 1.00 20.00 C HETATM 2008 C12 13Q A 201 8.261 3.270 4.242 1.00 20.00 C HETATM 2009 C13 13Q A 201 8.145 2.484 5.384 1.00 20.00 C HETATM 2010 C14 13Q A 201 7.247 4.163 3.916 1.00 20.00 C HETATM 2011 C15 13Q A 201 6.121 4.270 4.725 1.00 20.00 C HETATM 2012 O3 13Q A 201 13.211 4.461 4.926 1.00 20.00 O HETATM 2013 C16 13Q A 201 6.007 3.484 5.866 1.00 20.00 C HETATM 2014 C17 13Q A 201 7.021 2.591 6.195 1.00 20.00 C HETATM 2015 C18 13Q A 201 10.351 0.878 0.473 1.00 20.00 C HETATM 2016 C19 13Q A 201 10.503 1.734 -0.787 1.00 20.00 C HETATM 2017 C20 13Q A 201 11.797 1.310 -1.473 1.00 20.00 C HETATM 2018 C21 13Q A 201 10.505 1.418 -2.268 1.00 20.00 C HETATM 2019 C22 13Q A 201 12.049 4.430 2.853 1.00 20.00 C HETATM 2020 C23 13Q A 201 12.534 5.137 4.121 1.00 20.00 C HETATM 2021 CL1 13Q A 201 4.553 3.398 -0.998 1.00 20.00 CL HETATM 2022 CL2 13Q A 201 4.861 5.371 4.307 1.00 20.00 CL HETATM 0 H9 13Q A 201 9.487 4.128 2.920 1.00 20.00 H new HETATM 0 H8 13Q A 201 10.760 3.521 5.032 1.00 20.00 H new HETATM 0 H7 13Q A 201 10.587 1.830 4.606 1.00 20.00 H new HETATM 0 H6 13Q A 201 12.669 2.553 3.732 1.00 20.00 H new HETATM 0 H5 13Q A 201 8.931 1.129 2.957 1.00 20.00 H new HETATM 0 H4 13Q A 201 6.960 0.617 2.174 1.00 20.00 H new HETATM 0 H3 13Q A 201 5.019 1.183 0.736 1.00 20.00 H new HETATM 0 H23 13Q A 201 13.092 4.815 5.832 1.00 20.00 H new HETATM 0 H22 13Q A 201 11.136 4.894 2.479 1.00 20.00 H new HETATM 0 H21 13Q A 201 12.793 4.508 2.061 1.00 20.00 H new HETATM 0 H20 13Q A 201 10.367 2.205 -3.009 1.00 20.00 H new HETATM 0 H2 13Q A 201 7.077 4.685 -0.664 1.00 20.00 H new HETATM 0 H19 13Q A 201 10.007 0.528 -2.652 1.00 20.00 H new HETATM 0 H18 13Q A 201 12.251 0.341 -1.267 1.00 20.00 H new HETATM 0 H17 13Q A 201 12.612 2.018 -1.625 1.00 20.00 H new HETATM 0 H16 13Q A 201 9.928 2.535 -0.324 1.00 20.00 H new HETATM 0 H15 13Q A 201 9.406 0.335 0.457 1.00 20.00 H new HETATM 0 H14 13Q A 201 11.145 0.134 0.530 1.00 20.00 H new HETATM 0 H13 13Q A 201 6.934 1.974 7.090 1.00 20.00 H new HETATM 0 H12 13Q A 201 5.125 3.567 6.501 1.00 20.00 H new HETATM 0 H11 13Q A 201 7.335 4.782 3.023 1.00 20.00 H new HETATM 0 H10 13Q A 201 8.938 1.782 5.644 1.00 20.00 H new HETATM 0 H1 13Q A 201 9.019 4.115 0.769 1.00 20.00 H new