USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1009 ASN : amide:sc= 0 X(o=-0.0052,f=-0.032) USER MOD Set 1.2: A1010 THR OG1 : rot 180:sc=-0.00518 USER MOD Set 2.1: A 999 HIS :FLIP no HD1:sc= 0.771 F(o=-1.4,f=1.6) USER MOD Set 2.2: A1000 SER OG : rot -65:sc= 0.784 USER MOD Set 2.3: A1001 SER OG : rot 180:sc= 0 USER MOD Single : A 961 LYS NZ :NH3+ -161:sc=-0.00324 (180deg=-0.594) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot -16:sc= 0.804 USER MOD Single : A 971 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.88) USER MOD Single : A 973 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 975 HIS :FLIP no HD1:sc= -0.868 F(o=-1.4,f=-0.87) USER MOD Single : A 978 THR OG1 : rot -19:sc= 0.769 USER MOD Single : A 981 GLN : amide:sc= -0.423 X(o=-0.42,f=0.004) USER MOD Single : A 984 SER OG : rot 180:sc= -0.0312 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot 180:sc= -1.45! USER MOD Single : A 989 SER OG : rot 4:sc= 0.111 USER MOD Single : A 991 THR OG1 : rot 180:sc= -0.0892 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-4.2!) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HE2:sc= -0.39 X(o=-0.39,f=-0.75) USER MOD Single : A1014 SER OG : rot 180:sc= -0.0378 USER MOD Single : A1015 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A1016 LYS NZ :NH3+ 174:sc= -3.12! (180deg=-3.49!) USER MOD Single : A1021 GLN : amide:sc= -4.19! C(o=-4.2!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 957 27.263 5.676 -2.829 1.00 0.00 N ATOM 2 CA GLU A 957 26.602 4.406 -2.433 1.00 0.00 C ATOM 3 C GLU A 957 25.084 4.542 -2.495 1.00 0.00 C ATOM 4 O GLU A 957 24.412 3.787 -3.197 1.00 0.00 O ATOM 5 CB GLU A 957 27.030 4.010 -1.017 1.00 0.00 C ATOM 6 CG GLU A 957 26.435 2.692 -0.546 1.00 0.00 C ATOM 7 CD GLU A 957 26.845 1.522 -1.419 1.00 0.00 C ATOM 8 OE1 GLU A 957 27.885 0.896 -1.125 1.00 0.00 O ATOM 9 OE2 GLU A 957 26.125 1.232 -2.398 1.00 0.00 O ATOM 0 HA GLU A 957 26.909 3.629 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 957 28.117 3.941 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 957 26.737 4.799 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 957 26.749 2.502 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 957 25.348 2.771 -0.538 1.00 0.00 H new ATOM 18 N ALA A 958 24.551 5.509 -1.756 1.00 0.00 N ATOM 19 CA ALA A 958 23.113 5.747 -1.728 1.00 0.00 C ATOM 20 C ALA A 958 22.753 7.028 -2.471 1.00 0.00 C ATOM 21 O ALA A 958 23.107 8.127 -2.043 1.00 0.00 O ATOM 22 CB ALA A 958 22.618 5.811 -0.290 1.00 0.00 C ATOM 0 H ALA A 958 25.094 6.141 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 958 22.622 4.916 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 958 21.543 5.989 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 958 22.833 4.867 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 958 23.124 6.623 0.233 1.00 0.00 H new ATOM 28 N GLU A 959 22.048 6.879 -3.589 1.00 0.00 N ATOM 29 CA GLU A 959 21.642 8.025 -4.395 1.00 0.00 C ATOM 30 C GLU A 959 20.195 8.406 -4.098 1.00 0.00 C ATOM 31 O GLU A 959 19.930 9.438 -3.480 1.00 0.00 O ATOM 32 CB GLU A 959 21.810 7.710 -5.885 1.00 0.00 C ATOM 33 CG GLU A 959 21.786 8.938 -6.783 1.00 0.00 C ATOM 34 CD GLU A 959 20.420 9.591 -6.857 1.00 0.00 C ATOM 35 OE1 GLU A 959 19.607 9.173 -7.707 1.00 0.00 O ATOM 36 OE2 GLU A 959 20.165 10.522 -6.064 1.00 0.00 O ATOM 0 H GLU A 959 21.747 5.977 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 959 22.281 8.870 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 959 22.754 7.184 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 959 21.016 7.031 -6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 959 22.510 9.665 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 959 22.101 8.653 -7.787 1.00 0.00 H new ATOM 43 N ALA A 960 19.264 7.567 -4.542 1.00 0.00 N ATOM 44 CA ALA A 960 17.844 7.814 -4.322 1.00 0.00 C ATOM 45 C ALA A 960 17.016 6.570 -4.628 1.00 0.00 C ATOM 46 O ALA A 960 16.984 6.099 -5.766 1.00 0.00 O ATOM 47 CB ALA A 960 17.374 8.985 -5.173 1.00 0.00 C ATOM 0 H ALA A 960 19.468 6.710 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 960 17.703 8.063 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 960 16.312 9.158 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 960 17.936 9.879 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 960 17.536 8.757 -6.227 1.00 0.00 H new ATOM 53 N LYS A 961 16.345 6.046 -3.608 1.00 0.00 N ATOM 54 CA LYS A 961 15.494 4.875 -3.774 1.00 0.00 C ATOM 55 C LYS A 961 14.023 5.244 -3.607 1.00 0.00 C ATOM 56 O LYS A 961 13.669 6.036 -2.735 1.00 0.00 O ATOM 57 CB LYS A 961 15.880 3.790 -2.765 1.00 0.00 C ATOM 58 CG LYS A 961 15.064 2.514 -2.898 1.00 0.00 C ATOM 59 CD LYS A 961 15.498 1.463 -1.888 1.00 0.00 C ATOM 60 CE LYS A 961 16.917 0.981 -2.153 1.00 0.00 C ATOM 61 NZ LYS A 961 17.345 -0.054 -1.172 1.00 0.00 N ATOM 0 H LYS A 961 16.374 6.414 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 961 15.640 4.490 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 961 16.936 3.550 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 961 15.759 4.185 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 961 14.007 2.741 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 961 15.172 2.116 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 961 15.436 1.878 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 961 14.813 0.616 -1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 961 16.979 0.573 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 961 17.602 1.828 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 18.383 -0.124 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 17.015 0.211 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 16.936 -0.973 -1.437 1.00 0.00 H new ATOM 75 N SER A 962 13.174 4.666 -4.450 1.00 0.00 N ATOM 76 CA SER A 962 11.744 4.950 -4.410 1.00 0.00 C ATOM 77 C SER A 962 10.930 3.667 -4.544 1.00 0.00 C ATOM 78 O SER A 962 11.313 2.752 -5.272 1.00 0.00 O ATOM 79 CB SER A 962 11.365 5.926 -5.525 1.00 0.00 C ATOM 80 OG SER A 962 9.977 6.213 -5.505 1.00 0.00 O ATOM 0 H SER A 962 13.451 3.998 -5.169 1.00 0.00 H new ATOM 0 HA SER A 962 11.517 5.404 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 962 11.932 6.850 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 962 11.637 5.502 -6.491 1.00 0.00 H new ATOM 0 HG SER A 962 9.762 6.840 -6.227 1.00 0.00 H new ATOM 86 N CYS A 963 9.807 3.608 -3.837 1.00 0.00 N ATOM 87 CA CYS A 963 8.942 2.434 -3.869 1.00 0.00 C ATOM 88 C CYS A 963 7.866 2.580 -4.939 1.00 0.00 C ATOM 89 O CYS A 963 7.246 3.635 -5.070 1.00 0.00 O ATOM 90 CB CYS A 963 8.294 2.214 -2.501 1.00 0.00 C ATOM 91 SG CYS A 963 9.484 1.953 -1.148 1.00 0.00 S ATOM 0 H CYS A 963 9.474 4.360 -3.234 1.00 0.00 H new ATOM 0 HA CYS A 963 9.556 1.568 -4.114 1.00 0.00 H new ATOM 0 HB2 CYS A 963 7.672 3.077 -2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 963 7.631 1.350 -2.559 1.00 0.00 H new ATOM 96 N LYS A 964 7.651 1.513 -5.703 1.00 0.00 N ATOM 97 CA LYS A 964 6.658 1.521 -6.770 1.00 0.00 C ATOM 98 C LYS A 964 5.925 0.185 -6.841 1.00 0.00 C ATOM 99 O LYS A 964 6.479 -0.819 -7.289 1.00 0.00 O ATOM 100 CB LYS A 964 7.329 1.831 -8.110 1.00 0.00 C ATOM 101 CG LYS A 964 8.498 0.915 -8.438 1.00 0.00 C ATOM 102 CD LYS A 964 9.144 1.282 -9.766 1.00 0.00 C ATOM 103 CE LYS A 964 8.194 1.060 -10.932 1.00 0.00 C ATOM 104 NZ LYS A 964 8.821 1.418 -12.235 1.00 0.00 N ATOM 0 H LYS A 964 8.153 0.631 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 964 5.926 2.298 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 964 6.586 1.755 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 964 7.680 2.863 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 964 9.241 0.974 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 964 8.152 -0.118 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 964 9.455 2.326 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 964 10.044 0.684 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 964 7.883 0.015 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 964 7.294 1.657 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 8.141 1.253 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 9.095 2.421 -12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 9.666 0.830 -12.387 1.00 0.00 H new ATOM 118 N THR A 965 4.679 0.176 -6.378 1.00 0.00 N ATOM 119 CA THR A 965 3.903 -1.056 -6.293 1.00 0.00 C ATOM 120 C THR A 965 2.403 -0.777 -6.166 1.00 0.00 C ATOM 121 O THR A 965 1.607 -1.308 -6.940 1.00 0.00 O ATOM 122 CB THR A 965 4.358 -1.933 -5.107 1.00 0.00 C ATOM 123 OG1 THR A 965 5.744 -2.271 -5.247 1.00 0.00 O ATOM 124 CG2 THR A 965 3.530 -3.207 -5.021 1.00 0.00 C ATOM 0 H THR A 965 4.185 1.008 -6.056 1.00 0.00 H new ATOM 0 HA THR A 965 4.082 -1.594 -7.224 1.00 0.00 H new ATOM 0 HB THR A 965 4.213 -1.361 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 965 6.030 -2.105 -6.170 1.00 0.00 H new ATOM 0 HG21 THR A 965 3.871 -3.806 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 965 2.480 -2.950 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 965 3.645 -3.779 -5.942 1.00 0.00 H new ATOM 132 N PRO A 966 1.992 0.044 -5.177 1.00 0.00 N ATOM 133 CA PRO A 966 0.574 0.290 -4.884 1.00 0.00 C ATOM 134 C PRO A 966 -0.204 0.769 -6.108 1.00 0.00 C ATOM 135 O PRO A 966 -0.042 1.906 -6.550 1.00 0.00 O ATOM 136 CB PRO A 966 0.602 1.388 -3.808 1.00 0.00 C ATOM 137 CG PRO A 966 1.994 1.924 -3.823 1.00 0.00 C ATOM 138 CD PRO A 966 2.867 0.786 -4.260 1.00 0.00 C ATOM 0 HA PRO A 966 0.071 -0.623 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.123 2.172 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 966 0.347 0.984 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 966 2.080 2.768 -4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 966 2.285 2.283 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 966 3.771 1.137 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 966 3.185 0.172 -3.417 1.00 0.00 H new ATOM 146 N PRO A 967 -1.075 -0.095 -6.664 1.00 0.00 N ATOM 147 CA PRO A 967 -1.944 0.260 -7.786 1.00 0.00 C ATOM 148 C PRO A 967 -3.135 1.102 -7.343 1.00 0.00 C ATOM 149 O PRO A 967 -3.177 1.591 -6.214 1.00 0.00 O ATOM 150 CB PRO A 967 -2.425 -1.100 -8.325 1.00 0.00 C ATOM 151 CG PRO A 967 -1.706 -2.142 -7.526 1.00 0.00 C ATOM 152 CD PRO A 967 -1.290 -1.483 -6.244 1.00 0.00 C ATOM 0 HA PRO A 967 -1.420 0.862 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -3.505 -1.202 -8.217 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -2.200 -1.200 -9.387 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -2.354 -2.997 -7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.838 -2.517 -8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -2.061 -1.561 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -0.384 -1.929 -5.832 1.00 0.00 H new ATOM 160 N ASP A 968 -4.110 1.254 -8.234 1.00 0.00 N ATOM 161 CA ASP A 968 -5.344 1.958 -7.906 1.00 0.00 C ATOM 162 C ASP A 968 -6.428 0.973 -7.470 1.00 0.00 C ATOM 163 O ASP A 968 -6.986 0.250 -8.295 1.00 0.00 O ATOM 164 CB ASP A 968 -5.830 2.768 -9.110 1.00 0.00 C ATOM 165 CG ASP A 968 -4.807 3.786 -9.575 1.00 0.00 C ATOM 166 OD1 ASP A 968 -3.957 3.430 -10.418 1.00 0.00 O ATOM 167 OD2 ASP A 968 -4.856 4.937 -9.095 1.00 0.00 O ATOM 0 H ASP A 968 -4.069 0.899 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 968 -5.139 2.638 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.062 2.089 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -6.756 3.281 -8.849 1.00 0.00 H new ATOM 172 N PRO A 969 -6.730 0.924 -6.159 1.00 0.00 N ATOM 173 CA PRO A 969 -7.697 -0.032 -5.608 1.00 0.00 C ATOM 174 C PRO A 969 -9.111 0.208 -6.125 1.00 0.00 C ATOM 175 O PRO A 969 -9.585 1.342 -6.163 1.00 0.00 O ATOM 176 CB PRO A 969 -7.632 0.216 -4.097 1.00 0.00 C ATOM 177 CG PRO A 969 -7.086 1.595 -3.956 1.00 0.00 C ATOM 178 CD PRO A 969 -6.149 1.786 -5.114 1.00 0.00 C ATOM 0 HA PRO A 969 -7.459 -1.056 -5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -8.618 0.133 -3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -6.991 -0.515 -3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -7.886 2.336 -3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -6.563 1.713 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -6.105 2.828 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -5.132 1.486 -4.863 1.00 0.00 H new ATOM 186 N VAL A 970 -9.781 -0.872 -6.516 1.00 0.00 N ATOM 187 CA VAL A 970 -11.159 -0.790 -6.987 1.00 0.00 C ATOM 188 C VAL A 970 -12.090 -0.327 -5.872 1.00 0.00 C ATOM 189 O VAL A 970 -11.922 -0.710 -4.714 1.00 0.00 O ATOM 190 CB VAL A 970 -11.650 -2.148 -7.525 1.00 0.00 C ATOM 191 CG1 VAL A 970 -11.645 -3.196 -6.422 1.00 0.00 C ATOM 192 CG2 VAL A 970 -13.038 -2.013 -8.137 1.00 0.00 C ATOM 0 H VAL A 970 -9.391 -1.815 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 970 -11.177 -0.061 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 970 -10.964 -2.475 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -11.995 -4.147 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -10.632 -3.315 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -12.304 -2.878 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -13.367 -2.983 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -13.737 -1.661 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -13.005 -1.299 -8.960 1.00 0.00 H new ATOM 202 N ASN A 971 -13.070 0.500 -6.227 1.00 0.00 N ATOM 203 CA ASN A 971 -14.010 1.036 -5.250 1.00 0.00 C ATOM 204 C ASN A 971 -13.270 1.702 -4.094 1.00 0.00 C ATOM 205 O ASN A 971 -13.417 1.305 -2.938 1.00 0.00 O ATOM 206 CB ASN A 971 -14.919 -0.076 -4.721 1.00 0.00 C ATOM 207 CG ASN A 971 -15.744 -0.720 -5.818 1.00 0.00 C ATOM 208 OD1 ASN A 971 -16.091 -0.077 -6.809 1.00 0.00 O ATOM 209 ND2 ASN A 971 -16.065 -1.997 -5.645 1.00 0.00 N ATOM 0 H ASN A 971 -13.233 0.813 -7.184 1.00 0.00 H new ATOM 0 HA ASN A 971 -14.623 1.789 -5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -14.310 -0.838 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -15.585 0.334 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.620 -2.483 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -15.756 -2.492 -4.808 1.00 0.00 H new ATOM 216 N GLY A 972 -12.467 2.712 -4.414 1.00 0.00 N ATOM 217 CA GLY A 972 -11.704 3.407 -3.395 1.00 0.00 C ATOM 218 C GLY A 972 -10.569 4.225 -3.979 1.00 0.00 C ATOM 219 O GLY A 972 -10.627 4.641 -5.137 1.00 0.00 O ATOM 0 H GLY A 972 -12.331 3.061 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -12.368 4.063 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -11.299 2.681 -2.690 1.00 0.00 H new ATOM 223 N MET A 973 -9.537 4.461 -3.174 1.00 0.00 N ATOM 224 CA MET A 973 -8.395 5.258 -3.609 1.00 0.00 C ATOM 225 C MET A 973 -7.222 5.102 -2.646 1.00 0.00 C ATOM 226 O MET A 973 -7.401 5.112 -1.428 1.00 0.00 O ATOM 227 CB MET A 973 -8.789 6.733 -3.716 1.00 0.00 C ATOM 228 CG MET A 973 -9.344 7.309 -2.424 1.00 0.00 C ATOM 229 SD MET A 973 -9.798 9.048 -2.577 1.00 0.00 S ATOM 230 CE MET A 973 -10.421 9.382 -0.931 1.00 0.00 C ATOM 0 H MET A 973 -9.468 4.112 -2.218 1.00 0.00 H new ATOM 0 HA MET A 973 -8.085 4.898 -4.590 1.00 0.00 H new ATOM 0 HB2 MET A 973 -7.916 7.313 -4.017 1.00 0.00 H new ATOM 0 HB3 MET A 973 -9.534 6.845 -4.504 1.00 0.00 H new ATOM 0 HG2 MET A 973 -10.219 6.734 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 973 -8.602 7.200 -1.634 1.00 0.00 H new ATOM 0 HE1 MET A 973 -10.742 10.422 -0.867 1.00 0.00 H new ATOM 0 HE2 MET A 973 -11.267 8.728 -0.723 1.00 0.00 H new ATOM 0 HE3 MET A 973 -9.633 9.200 -0.200 1.00 0.00 H new ATOM 240 N VAL A 974 -6.022 4.963 -3.202 1.00 0.00 N ATOM 241 CA VAL A 974 -4.814 4.847 -2.393 1.00 0.00 C ATOM 242 C VAL A 974 -4.346 6.217 -1.910 1.00 0.00 C ATOM 243 O VAL A 974 -4.498 7.216 -2.613 1.00 0.00 O ATOM 244 CB VAL A 974 -3.676 4.167 -3.180 1.00 0.00 C ATOM 245 CG1 VAL A 974 -3.344 4.958 -4.437 1.00 0.00 C ATOM 246 CG2 VAL A 974 -2.442 3.997 -2.305 1.00 0.00 C ATOM 0 H VAL A 974 -5.861 4.928 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 974 -5.064 4.229 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 974 -4.015 3.176 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -2.539 4.461 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -4.227 5.016 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -3.029 5.964 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -1.652 3.515 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -2.099 4.974 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.690 3.379 -1.442 1.00 0.00 H new ATOM 256 N HIS A 975 -3.796 6.261 -0.700 1.00 0.00 N ATOM 257 CA HIS A 975 -3.406 7.522 -0.084 1.00 0.00 C ATOM 258 C HIS A 975 -2.241 8.159 -0.836 1.00 0.00 C ATOM 259 O HIS A 975 -2.359 9.274 -1.347 1.00 0.00 O ATOM 260 CB HIS A 975 -3.027 7.299 1.381 1.00 0.00 C ATOM 261 CG HIS A 975 -2.667 8.558 2.106 1.00 0.00 C ATOM 262 ND1 HIS A 975 -1.508 9.256 2.142 1.00 0.00 N flip ATOM 263 CD2 HIS A 975 -3.550 9.243 2.914 1.00 0.00 C flip ATOM 264 CE1 HIS A 975 -1.708 10.338 2.963 1.00 0.00 C flip ATOM 265 NE2 HIS A 975 -2.949 10.308 3.416 1.00 0.00 N flip ATOM 0 H HIS A 975 -3.611 5.437 -0.128 1.00 0.00 H new ATOM 0 HA HIS A 975 -4.257 8.202 -0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -3.861 6.820 1.894 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -2.185 6.609 1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -4.573 8.954 3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -0.971 11.091 3.200 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -3.371 10.990 4.046 1.00 0.00 H new ATOM 274 N VAL A 976 -1.118 7.447 -0.892 1.00 0.00 N ATOM 275 CA VAL A 976 0.086 7.958 -1.536 1.00 0.00 C ATOM 276 C VAL A 976 0.523 9.284 -0.919 1.00 0.00 C ATOM 277 O VAL A 976 -0.045 10.337 -1.213 1.00 0.00 O ATOM 278 CB VAL A 976 -0.136 8.145 -3.047 1.00 0.00 C ATOM 279 CG1 VAL A 976 1.058 8.834 -3.692 1.00 0.00 C ATOM 280 CG2 VAL A 976 -0.409 6.805 -3.714 1.00 0.00 C ATOM 0 H VAL A 976 -1.018 6.512 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 976 0.874 7.221 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 976 -1.008 8.784 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 976 0.876 8.954 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 976 1.203 9.813 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 976 1.952 8.229 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -0.564 6.955 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 976 0.442 6.142 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -1.301 6.357 -3.278 1.00 0.00 H new ATOM 290 N ILE A 977 1.537 9.223 -0.060 1.00 0.00 N ATOM 291 CA ILE A 977 2.047 10.414 0.610 1.00 0.00 C ATOM 292 C ILE A 977 2.479 11.473 -0.400 1.00 0.00 C ATOM 293 O ILE A 977 1.774 12.458 -0.618 1.00 0.00 O ATOM 294 CB ILE A 977 3.241 10.076 1.527 1.00 0.00 C ATOM 295 CG1 ILE A 977 2.842 9.018 2.561 1.00 0.00 C ATOM 296 CG2 ILE A 977 3.757 11.332 2.216 1.00 0.00 C ATOM 297 CD1 ILE A 977 1.728 9.458 3.489 1.00 0.00 C ATOM 0 H ILE A 977 2.022 8.360 0.188 1.00 0.00 H new ATOM 0 HA ILE A 977 1.232 10.808 1.217 1.00 0.00 H new ATOM 0 HB ILE A 977 4.043 9.668 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 977 2.531 8.113 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 977 3.717 8.758 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 977 4.599 11.075 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 977 4.081 12.052 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 977 2.961 11.770 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 977 1.502 8.656 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 977 2.042 10.345 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 977 0.838 9.690 2.904 1.00 0.00 H new ATOM 309 N THR A 978 3.641 11.265 -1.011 1.00 0.00 N ATOM 310 CA THR A 978 4.172 12.208 -1.987 1.00 0.00 C ATOM 311 C THR A 978 5.190 11.536 -2.902 1.00 0.00 C ATOM 312 O THR A 978 4.959 11.387 -4.102 1.00 0.00 O ATOM 313 CB THR A 978 4.836 13.416 -1.297 1.00 0.00 C ATOM 314 OG1 THR A 978 3.900 14.060 -0.424 1.00 0.00 O ATOM 315 CG2 THR A 978 5.344 14.417 -2.326 1.00 0.00 C ATOM 0 H THR A 978 4.233 10.451 -0.847 1.00 0.00 H new ATOM 0 HA THR A 978 3.328 12.558 -2.582 1.00 0.00 H new ATOM 0 HB THR A 978 5.683 13.051 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 978 2.988 13.802 -0.675 1.00 0.00 H new ATOM 0 HG21 THR A 978 5.808 15.260 -1.815 1.00 0.00 H new ATOM 0 HG22 THR A 978 6.078 13.935 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 978 4.509 14.774 -2.930 1.00 0.00 H new ATOM 323 N ASP A 979 6.319 11.134 -2.325 1.00 0.00 N ATOM 324 CA ASP A 979 7.379 10.484 -3.086 1.00 0.00 C ATOM 325 C ASP A 979 7.413 8.988 -2.799 1.00 0.00 C ATOM 326 O ASP A 979 8.130 8.238 -3.463 1.00 0.00 O ATOM 327 CB ASP A 979 8.733 11.108 -2.747 1.00 0.00 C ATOM 328 CG ASP A 979 8.777 12.594 -3.048 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.180 13.013 -4.063 1.00 0.00 O ATOM 330 OD2 ASP A 979 9.409 13.339 -2.270 1.00 0.00 O ATOM 0 H ASP A 979 6.522 11.248 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 979 7.173 10.629 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 979 8.950 10.948 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 979 9.515 10.602 -3.313 1.00 0.00 H new ATOM 335 N ILE A 980 6.614 8.566 -1.819 1.00 0.00 N ATOM 336 CA ILE A 980 6.456 7.149 -1.486 1.00 0.00 C ATOM 337 C ILE A 980 7.765 6.379 -1.641 1.00 0.00 C ATOM 338 O ILE A 980 7.800 5.300 -2.233 1.00 0.00 O ATOM 339 CB ILE A 980 5.361 6.477 -2.345 1.00 0.00 C ATOM 340 CG1 ILE A 980 5.690 6.588 -3.837 1.00 0.00 C ATOM 341 CG2 ILE A 980 4.005 7.100 -2.050 1.00 0.00 C ATOM 342 CD1 ILE A 980 4.730 5.832 -4.729 1.00 0.00 C ATOM 0 H ILE A 980 6.060 9.193 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 980 6.152 7.115 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 980 5.324 5.419 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 980 5.687 7.640 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 980 6.700 6.215 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 980 3.242 6.618 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 980 3.764 6.964 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 980 4.036 8.165 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 980 5.026 5.957 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 980 4.750 4.773 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 980 3.721 6.220 -4.590 1.00 0.00 H new ATOM 354 N GLN A 981 8.841 6.943 -1.101 1.00 0.00 N ATOM 355 CA GLN A 981 10.151 6.307 -1.162 1.00 0.00 C ATOM 356 C GLN A 981 10.383 5.425 0.061 1.00 0.00 C ATOM 357 O GLN A 981 9.478 5.221 0.870 1.00 0.00 O ATOM 358 CB GLN A 981 11.250 7.366 -1.258 1.00 0.00 C ATOM 359 CG GLN A 981 11.137 8.248 -2.490 1.00 0.00 C ATOM 360 CD GLN A 981 12.173 9.354 -2.515 1.00 0.00 C ATOM 361 OE1 GLN A 981 13.273 9.179 -3.039 1.00 0.00 O ATOM 362 NE2 GLN A 981 11.825 10.503 -1.945 1.00 0.00 N ATOM 0 H GLN A 981 8.831 7.840 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 981 10.183 5.679 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.217 7.994 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 981 12.221 6.871 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 981 11.247 7.633 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 981 10.141 8.688 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 981 10.902 10.604 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 981 12.481 11.284 -1.930 1.00 0.00 H new ATOM 371 N VAL A 982 11.600 4.905 0.191 1.00 0.00 N ATOM 372 CA VAL A 982 11.950 4.058 1.323 1.00 0.00 C ATOM 373 C VAL A 982 11.751 4.798 2.643 1.00 0.00 C ATOM 374 O VAL A 982 12.157 5.951 2.788 1.00 0.00 O ATOM 375 CB VAL A 982 13.411 3.569 1.230 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.365 4.747 1.108 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.766 2.705 2.431 1.00 0.00 C ATOM 0 H VAL A 982 12.359 5.056 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 982 11.286 3.194 1.291 1.00 0.00 H new ATOM 0 HB VAL A 982 13.511 2.958 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.389 4.380 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 982 14.127 5.317 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 982 14.264 5.389 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.800 2.371 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.647 3.286 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 982 13.106 1.838 2.463 1.00 0.00 H new ATOM 387 N GLY A 983 11.117 4.127 3.601 1.00 0.00 N ATOM 388 CA GLY A 983 10.869 4.738 4.894 1.00 0.00 C ATOM 389 C GLY A 983 9.482 5.341 4.995 1.00 0.00 C ATOM 390 O GLY A 983 8.949 5.508 6.094 1.00 0.00 O ATOM 0 H GLY A 983 10.771 3.172 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.994 3.989 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.613 5.514 5.074 1.00 0.00 H new ATOM 394 N SER A 984 8.894 5.671 3.848 1.00 0.00 N ATOM 395 CA SER A 984 7.565 6.272 3.817 1.00 0.00 C ATOM 396 C SER A 984 6.489 5.228 4.100 1.00 0.00 C ATOM 397 O SER A 984 6.712 4.030 3.930 1.00 0.00 O ATOM 398 CB SER A 984 7.308 6.928 2.459 1.00 0.00 C ATOM 399 OG SER A 984 6.028 7.533 2.418 1.00 0.00 O ATOM 0 H SER A 984 9.316 5.532 2.930 1.00 0.00 H new ATOM 0 HA SER A 984 7.522 7.034 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 984 8.074 7.678 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 984 7.385 6.180 1.670 1.00 0.00 H new ATOM 0 HG SER A 984 5.890 7.946 1.540 1.00 0.00 H new ATOM 405 N ARG A 985 5.325 5.694 4.539 1.00 0.00 N ATOM 406 CA ARG A 985 4.227 4.803 4.892 1.00 0.00 C ATOM 407 C ARG A 985 2.901 5.331 4.353 1.00 0.00 C ATOM 408 O ARG A 985 2.377 6.332 4.840 1.00 0.00 O ATOM 409 CB ARG A 985 4.149 4.647 6.410 1.00 0.00 C ATOM 410 CG ARG A 985 3.070 3.683 6.871 1.00 0.00 C ATOM 411 CD ARG A 985 3.025 3.592 8.386 1.00 0.00 C ATOM 412 NE ARG A 985 2.593 4.847 8.998 1.00 0.00 N ATOM 413 CZ ARG A 985 2.523 5.040 10.312 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.856 4.067 11.149 1.00 0.00 N ATOM 415 NH2 ARG A 985 2.119 6.210 10.790 1.00 0.00 N ATOM 0 H ARG A 985 5.118 6.685 4.659 1.00 0.00 H new ATOM 0 HA ARG A 985 4.417 3.830 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.114 4.302 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 985 3.966 5.624 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.101 4.011 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.257 2.695 6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 985 2.346 2.792 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 985 4.013 3.326 8.763 1.00 0.00 H new ATOM 0 HE ARG A 985 2.331 5.618 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 985 3.167 3.166 10.786 1.00 0.00 H new ATOM 0 HH12 ARG A 985 2.801 4.219 12.156 1.00 0.00 H new ATOM 0 HH21 ARG A 985 1.862 6.961 10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 985 2.065 6.358 11.798 1.00 0.00 H new ATOM 429 N ILE A 986 2.356 4.643 3.354 1.00 0.00 N ATOM 430 CA ILE A 986 1.056 5.002 2.798 1.00 0.00 C ATOM 431 C ILE A 986 -0.053 4.156 3.414 1.00 0.00 C ATOM 432 O ILE A 986 0.214 3.204 4.148 1.00 0.00 O ATOM 433 CB ILE A 986 1.030 4.830 1.266 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.261 3.364 0.890 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.079 5.722 0.618 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.144 3.091 -0.594 1.00 0.00 C ATOM 0 H ILE A 986 2.794 3.834 2.913 1.00 0.00 H new ATOM 0 HA ILE A 986 0.887 6.052 3.038 1.00 0.00 H new ATOM 0 HB ILE A 986 0.048 5.128 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.252 3.063 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.540 2.744 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.050 5.591 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 986 1.872 6.764 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.067 5.451 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.320 2.032 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.144 3.360 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 986 1.883 3.684 -1.132 1.00 0.00 H new ATOM 448 N THR A 987 -1.299 4.510 3.115 1.00 0.00 N ATOM 449 CA THR A 987 -2.447 3.797 3.661 1.00 0.00 C ATOM 450 C THR A 987 -3.477 3.496 2.577 1.00 0.00 C ATOM 451 O THR A 987 -3.893 4.388 1.837 1.00 0.00 O ATOM 452 CB THR A 987 -3.126 4.600 4.787 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.567 5.868 4.287 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.171 4.813 5.952 1.00 0.00 C ATOM 0 H THR A 987 -1.539 5.286 2.498 1.00 0.00 H new ATOM 0 HA THR A 987 -2.069 2.860 4.069 1.00 0.00 H new ATOM 0 HB THR A 987 -3.985 4.031 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.999 6.372 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.673 5.382 6.734 1.00 0.00 H new ATOM 0 HG22 THR A 987 -1.860 3.847 6.349 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.295 5.363 5.608 1.00 0.00 H new ATOM 462 N TYR A 988 -3.887 2.234 2.493 1.00 0.00 N ATOM 463 CA TYR A 988 -4.890 1.819 1.518 1.00 0.00 C ATOM 464 C TYR A 988 -6.292 1.901 2.117 1.00 0.00 C ATOM 465 O TYR A 988 -6.564 1.313 3.163 1.00 0.00 O ATOM 466 CB TYR A 988 -4.609 0.393 1.042 1.00 0.00 C ATOM 467 CG TYR A 988 -3.223 0.208 0.468 1.00 0.00 C ATOM 468 CD1 TYR A 988 -2.976 0.423 -0.882 1.00 0.00 C ATOM 469 CD2 TYR A 988 -2.162 -0.182 1.276 1.00 0.00 C ATOM 470 CE1 TYR A 988 -1.710 0.253 -1.411 1.00 0.00 C ATOM 471 CE2 TYR A 988 -0.893 -0.353 0.754 1.00 0.00 C ATOM 472 CZ TYR A 988 -0.673 -0.134 -0.589 1.00 0.00 C ATOM 473 OH TYR A 988 0.589 -0.303 -1.112 1.00 0.00 O ATOM 0 H TYR A 988 -3.540 1.481 3.088 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.836 2.495 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -4.741 -0.293 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.345 0.119 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -3.786 0.728 -1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -2.331 -0.354 2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -1.534 0.423 -2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -0.079 -0.657 1.395 1.00 0.00 H new ATOM 0 HH TYR A 988 1.204 -0.576 -0.400 1.00 0.00 H new ATOM 483 N SER A 989 -7.173 2.639 1.450 1.00 0.00 N ATOM 484 CA SER A 989 -8.534 2.829 1.942 1.00 0.00 C ATOM 485 C SER A 989 -9.554 2.600 0.831 1.00 0.00 C ATOM 486 O SER A 989 -9.455 3.184 -0.248 1.00 0.00 O ATOM 487 CB SER A 989 -8.698 4.237 2.518 1.00 0.00 C ATOM 488 OG SER A 989 -8.441 5.224 1.535 1.00 0.00 O ATOM 0 H SER A 989 -6.971 3.114 0.570 1.00 0.00 H new ATOM 0 HA SER A 989 -8.713 2.097 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 989 -9.710 4.359 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 989 -8.017 4.371 3.359 1.00 0.00 H new ATOM 0 HG SER A 989 -8.273 4.791 0.672 1.00 0.00 H new ATOM 494 N CYS A 990 -10.541 1.752 1.109 1.00 0.00 N ATOM 495 CA CYS A 990 -11.613 1.488 0.157 1.00 0.00 C ATOM 496 C CYS A 990 -12.766 2.464 0.356 1.00 0.00 C ATOM 497 O CYS A 990 -12.675 3.394 1.158 1.00 0.00 O ATOM 498 CB CYS A 990 -12.118 0.051 0.309 1.00 0.00 C ATOM 499 SG CYS A 990 -10.861 -1.222 -0.031 1.00 0.00 S ATOM 0 H CYS A 990 -10.619 1.237 1.986 1.00 0.00 H new ATOM 0 HA CYS A 990 -11.213 1.621 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -12.492 -0.085 1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -12.962 -0.099 -0.364 1.00 0.00 H new ATOM 504 N THR A 991 -13.856 2.242 -0.372 1.00 0.00 N ATOM 505 CA THR A 991 -15.054 3.059 -0.222 1.00 0.00 C ATOM 506 C THR A 991 -15.856 2.627 1.001 1.00 0.00 C ATOM 507 O THR A 991 -15.737 1.494 1.464 1.00 0.00 O ATOM 508 CB THR A 991 -15.951 2.976 -1.472 1.00 0.00 C ATOM 509 OG1 THR A 991 -17.160 3.714 -1.259 1.00 0.00 O ATOM 510 CG2 THR A 991 -16.285 1.530 -1.806 1.00 0.00 C ATOM 0 H THR A 991 -13.934 1.503 -1.071 1.00 0.00 H new ATOM 0 HA THR A 991 -14.725 4.090 -0.093 1.00 0.00 H new ATOM 0 HB THR A 991 -15.406 3.408 -2.311 1.00 0.00 H new ATOM 0 HG1 THR A 991 -17.723 3.657 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 991 -16.919 1.498 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 991 -15.364 0.979 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 991 -16.811 1.075 -0.967 1.00 0.00 H new ATOM 518 N THR A 992 -16.663 3.544 1.526 1.00 0.00 N ATOM 519 CA THR A 992 -17.442 3.278 2.730 1.00 0.00 C ATOM 520 C THR A 992 -18.339 2.057 2.551 1.00 0.00 C ATOM 521 O THR A 992 -19.190 2.022 1.662 1.00 0.00 O ATOM 522 CB THR A 992 -18.308 4.492 3.120 1.00 0.00 C ATOM 523 OG1 THR A 992 -19.180 4.144 4.203 1.00 0.00 O ATOM 524 CG2 THR A 992 -19.129 4.979 1.935 1.00 0.00 C ATOM 0 H THR A 992 -16.794 4.477 1.136 1.00 0.00 H new ATOM 0 HA THR A 992 -16.728 3.081 3.530 1.00 0.00 H new ATOM 0 HB THR A 992 -17.644 5.297 3.433 1.00 0.00 H new ATOM 0 HG1 THR A 992 -19.726 4.921 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 992 -19.731 5.836 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.461 5.272 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 992 -19.784 4.178 1.593 1.00 0.00 H new ATOM 532 N GLY A 993 -18.139 1.055 3.401 1.00 0.00 N ATOM 533 CA GLY A 993 -18.931 -0.159 3.322 1.00 0.00 C ATOM 534 C GLY A 993 -18.123 -1.350 2.845 1.00 0.00 C ATOM 535 O GLY A 993 -18.686 -2.369 2.446 1.00 0.00 O ATOM 0 H GLY A 993 -17.441 1.062 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -19.352 -0.379 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -19.770 0.002 2.645 1.00 0.00 H new ATOM 539 N HIS A 994 -16.801 -1.221 2.884 1.00 0.00 N ATOM 540 CA HIS A 994 -15.913 -2.291 2.443 1.00 0.00 C ATOM 541 C HIS A 994 -14.741 -2.461 3.405 1.00 0.00 C ATOM 542 O HIS A 994 -14.246 -1.487 3.974 1.00 0.00 O ATOM 543 CB HIS A 994 -15.395 -2.001 1.033 1.00 0.00 C ATOM 544 CG HIS A 994 -16.467 -2.004 -0.012 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.405 -1.000 -0.132 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.751 -2.899 -0.988 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.219 -1.278 -1.136 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.842 -2.424 -1.671 1.00 0.00 N ATOM 0 H HIS A 994 -16.320 -0.385 3.217 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.483 -3.220 2.430 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.899 -1.030 1.030 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -14.642 -2.745 0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -16.218 -3.816 -1.191 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -19.050 -0.671 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -18.290 -2.883 -2.464 1.00 0.00 H new ATOM 557 N ARG A 995 -14.304 -3.704 3.586 1.00 0.00 N ATOM 558 CA ARG A 995 -13.205 -4.002 4.500 1.00 0.00 C ATOM 559 C ARG A 995 -11.930 -4.338 3.730 1.00 0.00 C ATOM 560 O ARG A 995 -11.984 -4.797 2.588 1.00 0.00 O ATOM 561 CB ARG A 995 -13.582 -5.166 5.420 1.00 0.00 C ATOM 562 CG ARG A 995 -12.546 -5.452 6.495 1.00 0.00 C ATOM 563 CD ARG A 995 -12.993 -6.575 7.417 1.00 0.00 C ATOM 564 NE ARG A 995 -12.016 -6.841 8.469 1.00 0.00 N ATOM 565 CZ ARG A 995 -12.217 -7.700 9.462 1.00 0.00 C ATOM 566 NH1 ARG A 995 -13.356 -8.375 9.541 1.00 0.00 N ATOM 567 NH2 ARG A 995 -11.278 -7.885 10.381 1.00 0.00 N ATOM 0 H ARG A 995 -14.693 -4.520 3.113 1.00 0.00 H new ATOM 0 HA ARG A 995 -13.018 -3.115 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.537 -4.947 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -13.725 -6.063 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -11.599 -5.720 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -12.368 -4.549 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -13.950 -6.314 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -13.153 -7.481 6.833 1.00 0.00 H new ATOM 0 HE ARG A 995 -11.129 -6.339 8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -14.081 -8.235 8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -13.506 -9.034 10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -10.401 -7.367 10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -11.433 -8.545 11.143 1.00 0.00 H new ATOM 581 N LEU A 996 -10.784 -4.095 4.360 1.00 0.00 N ATOM 582 CA LEU A 996 -9.492 -4.306 3.714 1.00 0.00 C ATOM 583 C LEU A 996 -9.150 -5.792 3.656 1.00 0.00 C ATOM 584 O LEU A 996 -9.117 -6.470 4.683 1.00 0.00 O ATOM 585 CB LEU A 996 -8.394 -3.545 4.467 1.00 0.00 C ATOM 586 CG LEU A 996 -7.139 -3.210 3.650 1.00 0.00 C ATOM 587 CD1 LEU A 996 -6.338 -4.468 3.347 1.00 0.00 C ATOM 588 CD2 LEU A 996 -7.511 -2.485 2.365 1.00 0.00 C ATOM 0 H LEU A 996 -10.724 -3.751 5.318 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.555 -3.927 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.817 -2.615 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -8.095 -4.137 5.332 1.00 0.00 H new ATOM 0 HG LEU A 996 -6.513 -2.546 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -5.453 -4.205 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -6.033 -4.939 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -6.954 -5.162 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -6.607 -2.257 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -8.163 -3.120 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -8.031 -1.558 2.608 1.00 0.00 H new ATOM 600 N ILE A 997 -8.872 -6.284 2.452 1.00 0.00 N ATOM 601 CA ILE A 997 -8.391 -7.649 2.278 1.00 0.00 C ATOM 602 C ILE A 997 -6.886 -7.722 2.504 1.00 0.00 C ATOM 603 O ILE A 997 -6.098 -7.684 1.558 1.00 0.00 O ATOM 604 CB ILE A 997 -8.723 -8.189 0.871 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.233 -8.131 0.628 1.00 0.00 C ATOM 606 CG2 ILE A 997 -8.204 -9.612 0.706 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.033 -9.055 1.522 1.00 0.00 C ATOM 0 H ILE A 997 -8.972 -5.758 1.584 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.899 -8.268 3.018 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.228 -7.561 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -10.577 -7.108 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -10.434 -8.384 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -8.448 -9.975 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -7.123 -9.623 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -8.670 -10.258 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.094 -8.957 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -10.719 -10.085 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -10.864 -8.789 2.565 1.00 0.00 H new ATOM 619 N GLY A 998 -6.495 -7.802 3.771 1.00 0.00 N ATOM 620 CA GLY A 998 -5.088 -7.764 4.117 1.00 0.00 C ATOM 621 C GLY A 998 -4.854 -7.244 5.519 1.00 0.00 C ATOM 622 O GLY A 998 -4.898 -8.002 6.487 1.00 0.00 O ATOM 0 H GLY A 998 -7.129 -7.893 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.667 -8.766 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.558 -7.132 3.404 1.00 0.00 H new ATOM 626 N HIS A 999 -4.610 -5.945 5.625 1.00 0.00 N ATOM 627 CA HIS A 999 -4.400 -5.308 6.919 1.00 0.00 C ATOM 628 C HIS A 999 -4.985 -3.898 6.928 1.00 0.00 C ATOM 629 O HIS A 999 -6.098 -3.683 7.410 1.00 0.00 O ATOM 630 CB HIS A 999 -2.907 -5.267 7.252 1.00 0.00 C ATOM 631 CG HIS A 999 -2.610 -4.726 8.615 1.00 0.00 C ATOM 632 ND1 HIS A 999 -2.459 -3.452 9.046 1.00 0.00 N flip ATOM 633 CD2 HIS A 999 -2.428 -5.527 9.722 1.00 0.00 C flip ATOM 634 CE1 HIS A 999 -2.193 -3.507 10.392 1.00 0.00 C flip ATOM 635 NE2 HIS A 999 -2.180 -4.770 10.775 1.00 0.00 N flip ATOM 0 H HIS A 999 -4.552 -5.310 4.829 1.00 0.00 H new ATOM 0 HA HIS A 999 -4.913 -5.896 7.680 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -2.498 -6.274 7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -2.394 -4.656 6.509 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -2.480 -6.606 9.727 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -2.022 -2.655 11.033 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -2.008 -5.104 11.723 1.00 0.00 H new ATOM 644 N SER A1000 -4.236 -2.944 6.378 1.00 0.00 N ATOM 645 CA SER A1000 -4.713 -1.569 6.250 1.00 0.00 C ATOM 646 C SER A1000 -3.699 -0.710 5.503 1.00 0.00 C ATOM 647 O SER A1000 -4.051 0.020 4.575 1.00 0.00 O ATOM 648 CB SER A1000 -4.988 -0.964 7.629 1.00 0.00 C ATOM 649 OG SER A1000 -3.794 -0.839 8.381 1.00 0.00 O ATOM 0 H SER A1000 -3.296 -3.098 6.014 1.00 0.00 H new ATOM 0 HA SER A1000 -5.642 -1.589 5.680 1.00 0.00 H new ATOM 0 HB2 SER A1000 -5.452 0.015 7.513 1.00 0.00 H new ATOM 0 HB3 SER A1000 -5.697 -1.591 8.169 1.00 0.00 H new ATOM 0 HG SER A1000 -3.432 -1.730 8.570 1.00 0.00 H new ATOM 655 N SER A1001 -2.439 -0.795 5.920 1.00 0.00 N ATOM 656 CA SER A1001 -1.379 0.012 5.327 1.00 0.00 C ATOM 657 C SER A1001 -0.114 -0.815 5.124 1.00 0.00 C ATOM 658 O SER A1001 -0.076 -2.000 5.459 1.00 0.00 O ATOM 659 CB SER A1001 -1.075 1.220 6.215 1.00 0.00 C ATOM 660 OG SER A1001 -0.657 0.813 7.506 1.00 0.00 O ATOM 0 H SER A1001 -2.128 -1.416 6.667 1.00 0.00 H new ATOM 0 HA SER A1001 -1.723 0.361 4.353 1.00 0.00 H new ATOM 0 HB2 SER A1001 -0.297 1.828 5.753 1.00 0.00 H new ATOM 0 HB3 SER A1001 -1.963 1.847 6.298 1.00 0.00 H new ATOM 0 HG SER A1001 -0.467 1.604 8.053 1.00 0.00 H new ATOM 666 N ALA A1002 0.919 -0.184 4.573 1.00 0.00 N ATOM 667 CA ALA A1002 2.180 -0.866 4.312 1.00 0.00 C ATOM 668 C ALA A1002 3.368 0.049 4.588 1.00 0.00 C ATOM 669 O ALA A1002 3.202 1.243 4.833 1.00 0.00 O ATOM 670 CB ALA A1002 2.221 -1.365 2.875 1.00 0.00 C ATOM 0 H ALA A1002 0.906 0.798 4.299 1.00 0.00 H new ATOM 0 HA ALA A1002 2.248 -1.720 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.168 -1.873 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.399 -2.061 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.126 -0.520 2.193 1.00 0.00 H new ATOM 676 N GLU A1003 4.568 -0.522 4.541 1.00 0.00 N ATOM 677 CA GLU A1003 5.790 0.241 4.776 1.00 0.00 C ATOM 678 C GLU A1003 6.922 -0.263 3.886 1.00 0.00 C ATOM 679 O GLU A1003 7.103 -1.469 3.718 1.00 0.00 O ATOM 680 CB GLU A1003 6.200 0.145 6.247 1.00 0.00 C ATOM 681 CG GLU A1003 7.452 0.939 6.582 1.00 0.00 C ATOM 682 CD GLU A1003 7.843 0.823 8.042 1.00 0.00 C ATOM 683 OE1 GLU A1003 7.681 -0.274 8.615 1.00 0.00 O ATOM 684 OE2 GLU A1003 8.312 1.831 8.613 1.00 0.00 O ATOM 0 H GLU A1003 4.721 -1.511 4.342 1.00 0.00 H new ATOM 0 HA GLU A1003 5.593 1.284 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.378 0.499 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.364 -0.902 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.276 0.590 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.289 1.988 6.336 1.00 0.00 H new ATOM 691 N CYS A1004 7.682 0.670 3.320 1.00 0.00 N ATOM 692 CA CYS A1004 8.802 0.329 2.459 1.00 0.00 C ATOM 693 C CYS A1004 9.871 -0.440 3.227 1.00 0.00 C ATOM 694 O CYS A1004 10.780 0.153 3.809 1.00 0.00 O ATOM 695 CB CYS A1004 9.400 1.602 1.863 1.00 0.00 C ATOM 696 SG CYS A1004 8.406 2.341 0.528 1.00 0.00 S ATOM 0 H CYS A1004 7.539 1.672 3.445 1.00 0.00 H new ATOM 0 HA CYS A1004 8.436 -0.311 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A1004 9.525 2.338 2.658 1.00 0.00 H new ATOM 0 HB3 CYS A1004 10.395 1.377 1.478 1.00 0.00 H new ATOM 701 N ILE A1005 9.763 -1.765 3.214 1.00 0.00 N ATOM 702 CA ILE A1005 10.750 -2.618 3.865 1.00 0.00 C ATOM 703 C ILE A1005 11.649 -3.306 2.844 1.00 0.00 C ATOM 704 O ILE A1005 11.259 -3.511 1.695 1.00 0.00 O ATOM 705 CB ILE A1005 10.080 -3.690 4.744 1.00 0.00 C ATOM 706 CG1 ILE A1005 8.981 -4.412 3.960 1.00 0.00 C ATOM 707 CG2 ILE A1005 9.520 -3.059 6.009 1.00 0.00 C ATOM 708 CD1 ILE A1005 8.358 -5.570 4.710 1.00 0.00 C ATOM 0 H ILE A1005 9.002 -2.271 2.760 1.00 0.00 H new ATOM 0 HA ILE A1005 11.355 -1.967 4.496 1.00 0.00 H new ATOM 0 HB ILE A1005 10.830 -4.427 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.201 -3.696 3.702 1.00 0.00 H new ATOM 0 HG13 ILE A1005 9.398 -4.780 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.049 -3.828 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A1005 10.329 -2.592 6.571 1.00 0.00 H new ATOM 0 HG23 ILE A1005 8.780 -2.304 5.742 1.00 0.00 H new ATOM 0 HD11 ILE A1005 7.588 -6.032 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A1005 9.126 -6.307 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A1005 7.910 -5.206 5.635 1.00 0.00 H new ATOM 720 N LEU A1006 12.854 -3.662 3.277 1.00 0.00 N ATOM 721 CA LEU A1006 13.808 -4.352 2.415 1.00 0.00 C ATOM 722 C LEU A1006 13.898 -5.832 2.778 1.00 0.00 C ATOM 723 O LEU A1006 14.127 -6.184 3.934 1.00 0.00 O ATOM 724 CB LEU A1006 15.190 -3.704 2.526 1.00 0.00 C ATOM 725 CG LEU A1006 15.324 -2.336 1.855 1.00 0.00 C ATOM 726 CD1 LEU A1006 16.646 -1.686 2.232 1.00 0.00 C ATOM 727 CD2 LEU A1006 15.208 -2.470 0.344 1.00 0.00 C ATOM 0 H LEU A1006 13.194 -3.484 4.222 1.00 0.00 H new ATOM 0 HA LEU A1006 13.456 -4.268 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A1006 15.441 -3.599 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A1006 15.926 -4.379 2.089 1.00 0.00 H new ATOM 0 HG LEU A1006 14.513 -1.698 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A1006 16.725 -0.714 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A1006 16.692 -1.556 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A1006 17.470 -2.322 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A1006 15.306 -1.487 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A1006 15.998 -3.124 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A1006 14.237 -2.895 0.090 1.00 0.00 H new ATOM 739 N SER A1007 13.719 -6.691 1.780 1.00 0.00 N ATOM 740 CA SER A1007 13.803 -8.133 1.988 1.00 0.00 C ATOM 741 C SER A1007 15.084 -8.695 1.381 1.00 0.00 C ATOM 742 O SER A1007 15.563 -9.754 1.789 1.00 0.00 O ATOM 743 CB SER A1007 12.586 -8.829 1.375 1.00 0.00 C ATOM 744 OG SER A1007 11.382 -8.363 1.961 1.00 0.00 O ATOM 0 H SER A1007 13.515 -6.414 0.820 1.00 0.00 H new ATOM 0 HA SER A1007 13.818 -8.321 3.062 1.00 0.00 H new ATOM 0 HB2 SER A1007 12.564 -8.650 0.300 1.00 0.00 H new ATOM 0 HB3 SER A1007 12.670 -9.906 1.517 1.00 0.00 H new ATOM 0 HG SER A1007 10.619 -8.822 1.551 1.00 0.00 H new ATOM 750 N GLY A1008 15.634 -7.979 0.405 1.00 0.00 N ATOM 751 CA GLY A1008 16.858 -8.419 -0.240 1.00 0.00 C ATOM 752 C GLY A1008 17.685 -7.261 -0.762 1.00 0.00 C ATOM 753 O GLY A1008 18.638 -6.829 -0.114 1.00 0.00 O ATOM 0 H GLY A1008 15.254 -7.102 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A1008 17.452 -8.996 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A1008 16.611 -9.086 -1.066 1.00 0.00 H new ATOM 757 N ASN A1009 17.321 -6.759 -1.938 1.00 0.00 N ATOM 758 CA ASN A1009 18.036 -5.644 -2.548 1.00 0.00 C ATOM 759 C ASN A1009 17.065 -4.662 -3.197 1.00 0.00 C ATOM 760 O ASN A1009 17.467 -3.806 -3.984 1.00 0.00 O ATOM 761 CB ASN A1009 19.031 -6.160 -3.591 1.00 0.00 C ATOM 762 CG ASN A1009 18.351 -6.928 -4.708 1.00 0.00 C ATOM 763 OD1 ASN A1009 17.956 -6.352 -5.722 1.00 0.00 O ATOM 764 ND2 ASN A1009 18.211 -8.236 -4.527 1.00 0.00 N ATOM 0 H ASN A1009 16.535 -7.107 -2.487 1.00 0.00 H new ATOM 0 HA ASN A1009 18.581 -5.121 -1.762 1.00 0.00 H new ATOM 0 HB2 ASN A1009 19.579 -5.318 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A1009 19.763 -6.804 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A1009 17.761 -8.805 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A1009 18.553 -8.672 -3.671 1.00 0.00 H new ATOM 771 N THR A1010 15.786 -4.792 -2.857 1.00 0.00 N ATOM 772 CA THR A1010 14.759 -3.908 -3.396 1.00 0.00 C ATOM 773 C THR A1010 13.636 -3.693 -2.386 1.00 0.00 C ATOM 774 O THR A1010 13.156 -4.642 -1.765 1.00 0.00 O ATOM 775 CB THR A1010 14.162 -4.470 -4.700 1.00 0.00 C ATOM 776 OG1 THR A1010 15.205 -4.722 -5.648 1.00 0.00 O ATOM 777 CG2 THR A1010 13.154 -3.499 -5.299 1.00 0.00 C ATOM 0 H THR A1010 15.437 -5.500 -2.211 1.00 0.00 H new ATOM 0 HA THR A1010 15.241 -2.954 -3.609 1.00 0.00 H new ATOM 0 HB THR A1010 13.650 -5.403 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A1010 14.817 -5.081 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A1010 12.747 -3.919 -6.219 1.00 0.00 H new ATOM 0 HG22 THR A1010 12.345 -3.330 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A1010 13.647 -2.552 -5.519 1.00 0.00 H new ATOM 785 N ALA A1011 13.227 -2.439 -2.223 1.00 0.00 N ATOM 786 CA ALA A1011 12.183 -2.094 -1.266 1.00 0.00 C ATOM 787 C ALA A1011 10.804 -2.491 -1.783 1.00 0.00 C ATOM 788 O ALA A1011 10.319 -1.944 -2.774 1.00 0.00 O ATOM 789 CB ALA A1011 12.222 -0.604 -0.957 1.00 0.00 C ATOM 0 H ALA A1011 13.603 -1.645 -2.741 1.00 0.00 H new ATOM 0 HA ALA A1011 12.371 -2.652 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.437 -0.360 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.193 -0.346 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.064 -0.038 -1.875 1.00 0.00 H new ATOM 795 N HIS A1012 10.171 -3.434 -1.092 1.00 0.00 N ATOM 796 CA HIS A1012 8.807 -3.837 -1.412 1.00 0.00 C ATOM 797 C HIS A1012 7.916 -3.743 -0.179 1.00 0.00 C ATOM 798 O HIS A1012 8.355 -4.015 0.938 1.00 0.00 O ATOM 799 CB HIS A1012 8.787 -5.264 -1.962 1.00 0.00 C ATOM 800 CG HIS A1012 9.494 -5.413 -3.273 1.00 0.00 C ATOM 801 ND1 HIS A1012 8.852 -5.322 -4.490 1.00 0.00 N ATOM 802 CD2 HIS A1012 10.798 -5.650 -3.555 1.00 0.00 C ATOM 803 CE1 HIS A1012 9.727 -5.499 -5.463 1.00 0.00 C ATOM 804 NE2 HIS A1012 10.915 -5.698 -4.922 1.00 0.00 N ATOM 0 H HIS A1012 10.583 -3.934 -0.304 1.00 0.00 H new ATOM 0 HA HIS A1012 8.422 -3.159 -2.174 1.00 0.00 H new ATOM 0 HB2 HIS A1012 9.247 -5.931 -1.233 1.00 0.00 H new ATOM 0 HB3 HIS A1012 7.752 -5.585 -2.079 1.00 0.00 H new ATOM 0 HD1 HIS A1012 7.856 -5.145 -4.619 1.00 0.00 H new ATOM 0 HD2 HIS A1012 11.596 -5.777 -2.838 1.00 0.00 H new ATOM 0 HE1 HIS A1012 9.508 -5.484 -6.521 1.00 0.00 H new ATOM 813 N TRP A1013 6.667 -3.342 -0.388 1.00 0.00 N ATOM 814 CA TRP A1013 5.737 -3.132 0.715 1.00 0.00 C ATOM 815 C TRP A1013 5.383 -4.453 1.391 1.00 0.00 C ATOM 816 O TRP A1013 5.330 -5.497 0.742 1.00 0.00 O ATOM 817 CB TRP A1013 4.466 -2.447 0.213 1.00 0.00 C ATOM 818 CG TRP A1013 4.730 -1.152 -0.494 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.957 -0.979 -1.829 1.00 0.00 C ATOM 820 CD2 TRP A1013 4.796 0.149 0.098 1.00 0.00 C ATOM 821 NE1 TRP A1013 5.156 0.351 -2.104 1.00 0.00 N ATOM 822 CE2 TRP A1013 5.061 1.064 -0.938 1.00 0.00 C ATOM 823 CE3 TRP A1013 4.655 0.631 1.402 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.187 2.432 -0.711 1.00 0.00 C ATOM 825 CZ3 TRP A1013 4.781 1.989 1.627 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.043 2.876 0.575 1.00 0.00 C ATOM 0 H TRP A1013 6.275 -3.156 -1.311 1.00 0.00 H new ATOM 0 HA TRP A1013 6.224 -2.490 1.449 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.941 -3.122 -0.463 1.00 0.00 H new ATOM 0 HB3 TRP A1013 3.803 -2.263 1.058 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.977 -1.772 -2.561 1.00 0.00 H new ATOM 0 HE1 TRP A1013 5.344 0.744 -3.026 1.00 0.00 H new ATOM 0 HE3 TRP A1013 4.451 -0.045 2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.391 3.117 -1.520 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 4.676 2.373 2.631 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.133 3.932 0.783 1.00 0.00 H new ATOM 837 N SER A1014 5.156 -4.402 2.699 1.00 0.00 N ATOM 838 CA SER A1014 4.890 -5.607 3.478 1.00 0.00 C ATOM 839 C SER A1014 3.645 -6.329 2.969 1.00 0.00 C ATOM 840 O SER A1014 3.733 -7.436 2.436 1.00 0.00 O ATOM 841 CB SER A1014 4.724 -5.259 4.959 1.00 0.00 C ATOM 842 OG SER A1014 3.685 -4.315 5.150 1.00 0.00 O ATOM 0 H SER A1014 5.151 -3.539 3.243 1.00 0.00 H new ATOM 0 HA SER A1014 5.744 -6.275 3.362 1.00 0.00 H new ATOM 0 HB2 SER A1014 4.505 -6.164 5.526 1.00 0.00 H new ATOM 0 HB3 SER A1014 5.660 -4.858 5.348 1.00 0.00 H new ATOM 0 HG SER A1014 3.599 -4.112 6.105 1.00 0.00 H new ATOM 848 N THR A1015 2.486 -5.703 3.150 1.00 0.00 N ATOM 849 CA THR A1015 1.216 -6.326 2.800 1.00 0.00 C ATOM 850 C THR A1015 1.056 -6.451 1.287 1.00 0.00 C ATOM 851 O THR A1015 1.619 -5.663 0.525 1.00 0.00 O ATOM 852 CB THR A1015 0.025 -5.529 3.365 1.00 0.00 C ATOM 853 OG1 THR A1015 -1.207 -6.168 3.007 1.00 0.00 O ATOM 854 CG2 THR A1015 0.031 -4.101 2.842 1.00 0.00 C ATOM 0 H THR A1015 2.401 -4.763 3.538 1.00 0.00 H new ATOM 0 HA THR A1015 1.223 -7.322 3.243 1.00 0.00 H new ATOM 0 HB THR A1015 0.118 -5.502 4.451 1.00 0.00 H new ATOM 0 HG1 THR A1015 -1.959 -5.656 3.371 1.00 0.00 H new ATOM 0 HG21 THR A1015 -0.819 -3.559 3.255 1.00 0.00 H new ATOM 0 HG22 THR A1015 0.956 -3.608 3.141 1.00 0.00 H new ATOM 0 HG23 THR A1015 -0.039 -4.112 1.754 1.00 0.00 H new ATOM 862 N LYS A1016 0.282 -7.444 0.863 1.00 0.00 N ATOM 863 CA LYS A1016 0.021 -7.665 -0.555 1.00 0.00 C ATOM 864 C LYS A1016 -1.056 -6.706 -1.064 1.00 0.00 C ATOM 865 O LYS A1016 -1.823 -6.156 -0.274 1.00 0.00 O ATOM 866 CB LYS A1016 -0.411 -9.116 -0.799 1.00 0.00 C ATOM 867 CG LYS A1016 -1.821 -9.435 -0.319 1.00 0.00 C ATOM 868 CD LYS A1016 -1.906 -9.487 1.199 1.00 0.00 C ATOM 869 CE LYS A1016 -3.257 -10.008 1.662 1.00 0.00 C ATOM 870 NZ LYS A1016 -3.315 -10.159 3.142 1.00 0.00 N ATOM 0 H LYS A1016 -0.177 -8.111 1.483 1.00 0.00 H new ATOM 0 HA LYS A1016 0.943 -7.473 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -0.345 -9.329 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A1016 0.291 -9.782 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -2.512 -8.681 -0.696 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -2.138 -10.392 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -1.115 -10.128 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -1.739 -8.491 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -4.041 -9.325 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -3.456 -10.970 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -4.281 -10.418 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -2.654 -10.904 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -3.051 -9.260 3.593 1.00 0.00 H new ATOM 884 N PRO A1017 -1.130 -6.501 -2.395 1.00 0.00 N ATOM 885 CA PRO A1017 -2.154 -5.652 -3.008 1.00 0.00 C ATOM 886 C PRO A1017 -3.544 -5.903 -2.426 1.00 0.00 C ATOM 887 O PRO A1017 -4.158 -6.937 -2.689 1.00 0.00 O ATOM 888 CB PRO A1017 -2.106 -6.060 -4.478 1.00 0.00 C ATOM 889 CG PRO A1017 -0.693 -6.480 -4.701 1.00 0.00 C ATOM 890 CD PRO A1017 -0.225 -7.088 -3.405 1.00 0.00 C ATOM 0 HA PRO A1017 -1.966 -4.592 -2.837 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -2.800 -6.874 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.382 -5.231 -5.130 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -0.625 -7.201 -5.516 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -0.073 -5.627 -4.977 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.298 -8.175 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.817 -6.842 -3.200 1.00 0.00 H new ATOM 898 N PRO A1018 -4.047 -4.964 -1.603 1.00 0.00 N ATOM 899 CA PRO A1018 -5.301 -5.148 -0.867 1.00 0.00 C ATOM 900 C PRO A1018 -6.527 -5.092 -1.772 1.00 0.00 C ATOM 901 O PRO A1018 -6.539 -4.377 -2.775 1.00 0.00 O ATOM 902 CB PRO A1018 -5.311 -3.976 0.115 1.00 0.00 C ATOM 903 CG PRO A1018 -4.484 -2.927 -0.543 1.00 0.00 C ATOM 904 CD PRO A1018 -3.420 -3.661 -1.310 1.00 0.00 C ATOM 0 HA PRO A1018 -5.348 -6.127 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -6.325 -3.623 0.300 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -4.893 -4.263 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -5.090 -2.312 -1.208 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -4.042 -2.258 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -3.146 -3.133 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.509 -3.776 -0.723 1.00 0.00 H new ATOM 912 N ILE A1019 -7.561 -5.839 -1.401 1.00 0.00 N ATOM 913 CA ILE A1019 -8.825 -5.817 -2.127 1.00 0.00 C ATOM 914 C ILE A1019 -9.940 -5.258 -1.246 1.00 0.00 C ATOM 915 O ILE A1019 -9.781 -5.144 -0.031 1.00 0.00 O ATOM 916 CB ILE A1019 -9.219 -7.228 -2.610 1.00 0.00 C ATOM 917 CG1 ILE A1019 -7.999 -7.960 -3.179 1.00 0.00 C ATOM 918 CG2 ILE A1019 -10.326 -7.147 -3.654 1.00 0.00 C ATOM 919 CD1 ILE A1019 -7.366 -7.265 -4.367 1.00 0.00 C ATOM 0 H ILE A1019 -7.548 -6.469 -0.599 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.690 -5.174 -2.996 1.00 0.00 H new ATOM 0 HB ILE A1019 -9.593 -7.792 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -7.252 -8.067 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -8.296 -8.966 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -10.590 -8.152 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -11.202 -6.665 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.979 -6.566 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -6.509 -7.843 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -8.097 -7.182 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -7.036 -6.269 -4.072 1.00 0.00 H new ATOM 931 N CYS A1020 -11.062 -4.903 -1.862 1.00 0.00 N ATOM 932 CA CYS A1020 -12.182 -4.322 -1.131 1.00 0.00 C ATOM 933 C CYS A1020 -13.366 -5.284 -1.094 1.00 0.00 C ATOM 934 O CYS A1020 -14.042 -5.490 -2.102 1.00 0.00 O ATOM 935 CB CYS A1020 -12.604 -2.999 -1.773 1.00 0.00 C ATOM 936 SG CYS A1020 -11.252 -1.790 -1.942 1.00 0.00 S ATOM 0 H CYS A1020 -11.220 -5.007 -2.864 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.858 -4.135 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -13.020 -3.203 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -13.401 -2.556 -1.176 1.00 0.00 H new ATOM 941 N GLN A1021 -13.613 -5.868 0.076 1.00 0.00 N ATOM 942 CA GLN A1021 -14.725 -6.798 0.246 1.00 0.00 C ATOM 943 C GLN A1021 -15.971 -6.071 0.736 1.00 0.00 C ATOM 944 O GLN A1021 -15.882 -5.107 1.495 1.00 0.00 O ATOM 945 CB GLN A1021 -14.350 -7.907 1.233 1.00 0.00 C ATOM 946 CG GLN A1021 -14.060 -7.404 2.638 1.00 0.00 C ATOM 947 CD GLN A1021 -13.875 -8.531 3.636 1.00 0.00 C ATOM 948 OE1 GLN A1021 -13.425 -9.621 3.283 1.00 0.00 O ATOM 949 NE2 GLN A1021 -14.226 -8.273 4.890 1.00 0.00 N ATOM 0 H GLN A1021 -13.059 -5.714 0.918 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.941 -7.244 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -15.163 -8.632 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -13.473 -8.434 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -13.161 -6.788 2.621 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -14.879 -6.764 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -14.595 -7.355 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -14.127 -8.993 5.606 1.00 0.00 H new ATOM 958 N ARG A1022 -17.134 -6.542 0.300 1.00 0.00 N ATOM 959 CA ARG A1022 -18.402 -5.948 0.704 1.00 0.00 C ATOM 960 C ARG A1022 -18.825 -6.465 2.075 1.00 0.00 C ATOM 961 O ARG A1022 -19.230 -7.618 2.217 1.00 0.00 O ATOM 962 CB ARG A1022 -19.485 -6.256 -0.337 1.00 0.00 C ATOM 963 CG ARG A1022 -20.789 -5.504 -0.112 1.00 0.00 C ATOM 964 CD ARG A1022 -21.694 -6.225 0.875 1.00 0.00 C ATOM 965 NE ARG A1022 -22.052 -7.562 0.414 1.00 0.00 N ATOM 966 CZ ARG A1022 -22.942 -8.340 1.023 1.00 0.00 C ATOM 967 NH1 ARG A1022 -23.562 -7.915 2.115 1.00 0.00 N ATOM 968 NH2 ARG A1022 -23.212 -9.545 0.539 1.00 0.00 N ATOM 0 H ARG A1022 -17.224 -7.335 -0.335 1.00 0.00 H new ATOM 0 HA ARG A1022 -18.273 -4.868 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -19.102 -6.012 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -19.689 -7.327 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.572 -4.502 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -21.309 -5.386 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -21.193 -6.297 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -22.601 -5.640 1.029 1.00 0.00 H new ATOM 0 HE ARG A1022 -21.593 -7.921 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -23.357 -6.989 2.490 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -24.244 -8.514 2.580 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -22.737 -9.875 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -23.895 -10.141 1.007 1.00 0.00 H new ATOM 982 N ILE A1023 -18.718 -5.605 3.083 1.00 0.00 N ATOM 983 CA ILE A1023 -19.054 -5.983 4.450 1.00 0.00 C ATOM 984 C ILE A1023 -20.547 -6.274 4.588 1.00 0.00 C ATOM 985 O ILE A1023 -21.383 -5.457 4.202 1.00 0.00 O ATOM 986 CB ILE A1023 -18.661 -4.878 5.451 1.00 0.00 C ATOM 987 CG1 ILE A1023 -17.179 -4.523 5.295 1.00 0.00 C ATOM 988 CG2 ILE A1023 -18.959 -5.323 6.875 1.00 0.00 C ATOM 989 CD1 ILE A1023 -16.740 -3.358 6.154 1.00 0.00 C ATOM 0 H ILE A1023 -18.401 -4.641 2.978 1.00 0.00 H new ATOM 0 HA ILE A1023 -18.488 -6.886 4.678 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.253 -3.988 5.239 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -16.577 -5.396 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -16.979 -4.288 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -18.676 -4.532 7.570 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -20.024 -5.531 6.976 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -18.390 -6.225 7.101 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -15.680 -3.165 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -17.316 -2.472 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -16.908 -3.597 7.204 1.00 0.00 H new ATOM 1001 N PRO A1024 -20.901 -7.446 5.146 1.00 0.00 N ATOM 1002 CA PRO A1024 -22.302 -7.835 5.344 1.00 0.00 C ATOM 1003 C PRO A1024 -22.998 -6.973 6.394 1.00 0.00 C ATOM 1004 O PRO A1024 -22.932 -7.327 7.589 1.00 0.00 O ATOM 1005 CB PRO A1024 -22.209 -9.288 5.818 1.00 0.00 C ATOM 1006 CG PRO A1024 -20.851 -9.403 6.420 1.00 0.00 C ATOM 1007 CD PRO A1024 -19.968 -8.484 5.625 1.00 0.00 C ATOM 1008 OXT PRO A1024 -23.602 -5.950 6.011 1.00 0.00 O ATOM 0 HA PRO A1024 -22.891 -7.710 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -22.986 -9.517 6.547 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -22.335 -9.984 4.989 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -20.865 -9.118 7.472 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -20.489 -10.430 6.373 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -19.174 -8.059 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -19.487 -9.005 4.797 1.00 0.00 H new TER 1016 PRO A1024