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: A 999 HIS : no HE2:sc= -1.92! C(o=-1.8!,f=-6.7!) USER MOD Set 1.2: A1015 THR OG1 : rot 36:sc= 0.0776 USER MOD Set 2.1: A 973 MET CE :methyl -157:sc= -0.181 (180deg=-0.789) USER MOD Set 2.2: A 975 HIS : no HD1:sc= -0.0525 X(o=-0.23,f=-0.65) USER MOD Set 2.3: A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 961 LYS NZ :NH3+ 170:sc= -0.241 (180deg=-0.361) USER MOD Single : A 962 SER OG : rot -14:sc= 0.922 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 978 THR OG1 : rot 180:sc= 0 USER MOD Single : A 981 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 984 SER OG : rot 89:sc= 0.186 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot 150:sc= 0 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-6.8!) USER MOD Single : A1000 SER OG : rot 15:sc= 0.736 USER MOD Single : A1001 SER OG : rot 52:sc= 0.204 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.2) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HD1:sc=-0.00866 X(o=-0.0087,f=-0.02) USER MOD Single : A1014 SER OG : rot 180:sc= -0.128 USER MOD Single : A1016 LYS NZ :NH3+ -165:sc= -0.0515 (180deg=-0.289) USER MOD Single : A1021 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 957 17.325 0.923 -13.828 1.00 0.00 N ATOM 2 CA GLU A 957 18.711 1.344 -14.160 1.00 0.00 C ATOM 3 C GLU A 957 19.036 2.691 -13.524 1.00 0.00 C ATOM 4 O GLU A 957 20.189 2.972 -13.197 1.00 0.00 O ATOM 5 CB GLU A 957 18.886 1.431 -15.678 1.00 0.00 C ATOM 6 CG GLU A 957 20.293 1.807 -16.110 1.00 0.00 C ATOM 7 CD GLU A 957 20.440 1.889 -17.616 1.00 0.00 C ATOM 8 OE1 GLU A 957 20.772 0.857 -18.238 1.00 0.00 O ATOM 9 OE2 GLU A 957 20.223 2.984 -18.175 1.00 0.00 O ATOM 0 HA GLU A 957 19.398 0.598 -13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 957 18.624 0.470 -16.121 1.00 0.00 H new ATOM 0 HB3 GLU A 957 18.185 2.166 -16.074 1.00 0.00 H new ATOM 0 HG2 GLU A 957 20.559 2.768 -15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 957 20.997 1.072 -15.720 1.00 0.00 H new ATOM 18 N ALA A 958 18.012 3.522 -13.353 1.00 0.00 N ATOM 19 CA ALA A 958 18.191 4.845 -12.768 1.00 0.00 C ATOM 20 C ALA A 958 17.299 5.030 -11.544 1.00 0.00 C ATOM 21 O ALA A 958 16.661 6.069 -11.379 1.00 0.00 O ATOM 22 CB ALA A 958 17.901 5.922 -13.803 1.00 0.00 C ATOM 0 H ALA A 958 17.050 3.302 -13.611 1.00 0.00 H new ATOM 0 HA ALA A 958 19.228 4.936 -12.445 1.00 0.00 H new ATOM 0 HB1 ALA A 958 18.038 6.905 -13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 958 18.583 5.810 -14.646 1.00 0.00 H new ATOM 0 HB3 ALA A 958 16.873 5.823 -14.153 1.00 0.00 H new ATOM 28 N GLU A 959 17.261 4.013 -10.688 1.00 0.00 N ATOM 29 CA GLU A 959 16.448 4.061 -9.479 1.00 0.00 C ATOM 30 C GLU A 959 17.221 3.517 -8.282 1.00 0.00 C ATOM 31 O GLU A 959 17.863 2.470 -8.370 1.00 0.00 O ATOM 32 CB GLU A 959 15.157 3.261 -9.676 1.00 0.00 C ATOM 33 CG GLU A 959 14.223 3.305 -8.478 1.00 0.00 C ATOM 34 CD GLU A 959 12.954 2.507 -8.699 1.00 0.00 C ATOM 35 OE1 GLU A 959 11.968 3.086 -9.200 1.00 0.00 O ATOM 36 OE2 GLU A 959 12.946 1.302 -8.370 1.00 0.00 O ATOM 0 H GLU A 959 17.784 3.146 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 959 16.195 5.103 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 959 14.631 3.646 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 959 15.412 2.223 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 959 14.743 2.918 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 959 13.963 4.341 -8.262 1.00 0.00 H new ATOM 43 N ALA A 960 17.157 4.236 -7.165 1.00 0.00 N ATOM 44 CA ALA A 960 17.853 3.825 -5.951 1.00 0.00 C ATOM 45 C ALA A 960 17.010 4.106 -4.712 1.00 0.00 C ATOM 46 O ALA A 960 16.653 5.252 -4.439 1.00 0.00 O ATOM 47 CB ALA A 960 19.196 4.532 -5.849 1.00 0.00 C ATOM 0 H ALA A 960 16.631 5.105 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 960 18.023 2.750 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 960 19.705 4.216 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 960 19.808 4.277 -6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 960 19.038 5.610 -5.821 1.00 0.00 H new ATOM 53 N LYS A 961 16.694 3.050 -3.968 1.00 0.00 N ATOM 54 CA LYS A 961 15.889 3.173 -2.756 1.00 0.00 C ATOM 55 C LYS A 961 14.558 3.858 -3.054 1.00 0.00 C ATOM 56 O LYS A 961 14.348 5.016 -2.690 1.00 0.00 O ATOM 57 CB LYS A 961 16.653 3.955 -1.684 1.00 0.00 C ATOM 58 CG LYS A 961 15.944 3.997 -0.338 1.00 0.00 C ATOM 59 CD LYS A 961 15.938 2.632 0.336 1.00 0.00 C ATOM 60 CE LYS A 961 17.343 2.184 0.706 1.00 0.00 C ATOM 61 NZ LYS A 961 18.008 3.144 1.630 1.00 0.00 N ATOM 0 H LYS A 961 16.984 2.096 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 961 15.685 2.169 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 961 17.638 3.507 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 961 16.811 4.975 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 961 16.437 4.721 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 961 14.918 4.339 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 961 15.320 2.671 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 961 15.485 1.898 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 961 17.299 1.201 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 961 17.941 2.079 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 18.889 2.725 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 18.227 4.023 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 17.374 3.355 2.426 1.00 0.00 H new ATOM 75 N SER A 962 13.662 3.135 -3.717 1.00 0.00 N ATOM 76 CA SER A 962 12.348 3.669 -4.056 1.00 0.00 C ATOM 77 C SER A 962 11.358 2.541 -4.330 1.00 0.00 C ATOM 78 O SER A 962 11.440 1.867 -5.357 1.00 0.00 O ATOM 79 CB SER A 962 12.444 4.582 -5.281 1.00 0.00 C ATOM 80 OG SER A 962 13.295 5.687 -5.030 1.00 0.00 O ATOM 0 H SER A 962 13.822 2.178 -4.030 1.00 0.00 H new ATOM 0 HA SER A 962 11.990 4.249 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 962 12.821 4.015 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 962 11.450 4.939 -5.551 1.00 0.00 H new ATOM 0 HG SER A 962 13.462 5.759 -4.067 1.00 0.00 H new ATOM 86 N CYS A 963 10.419 2.347 -3.410 1.00 0.00 N ATOM 87 CA CYS A 963 9.385 1.334 -3.583 1.00 0.00 C ATOM 88 C CYS A 963 8.260 1.853 -4.471 1.00 0.00 C ATOM 89 O CYS A 963 8.028 3.059 -4.557 1.00 0.00 O ATOM 90 CB CYS A 963 8.829 0.904 -2.224 1.00 0.00 C ATOM 91 SG CYS A 963 8.598 2.272 -1.043 1.00 0.00 S ATOM 0 H CYS A 963 10.353 2.876 -2.540 1.00 0.00 H new ATOM 0 HA CYS A 963 9.835 0.469 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 963 7.872 0.406 -2.377 1.00 0.00 H new ATOM 0 HB3 CYS A 963 9.504 0.170 -1.784 1.00 0.00 H new ATOM 96 N LYS A 964 7.578 0.935 -5.149 1.00 0.00 N ATOM 97 CA LYS A 964 6.546 1.299 -6.111 1.00 0.00 C ATOM 98 C LYS A 964 5.711 0.079 -6.480 1.00 0.00 C ATOM 99 O LYS A 964 5.923 -0.543 -7.521 1.00 0.00 O ATOM 100 CB LYS A 964 7.185 1.900 -7.364 1.00 0.00 C ATOM 101 CG LYS A 964 6.178 2.316 -8.424 1.00 0.00 C ATOM 102 CD LYS A 964 6.871 2.718 -9.714 1.00 0.00 C ATOM 103 CE LYS A 964 7.643 4.020 -9.556 1.00 0.00 C ATOM 104 NZ LYS A 964 8.325 4.419 -10.817 1.00 0.00 N ATOM 0 H LYS A 964 7.723 -0.070 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 964 5.892 2.043 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 964 7.778 2.769 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 964 7.873 1.173 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 964 5.491 1.493 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 964 5.581 3.149 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 964 7.553 1.926 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 964 6.130 2.828 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 964 6.960 4.811 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 964 8.383 3.909 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 8.839 5.310 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 8.996 3.676 -11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 7.617 4.550 -11.568 1.00 0.00 H new ATOM 118 N THR A 965 4.784 -0.278 -5.598 1.00 0.00 N ATOM 119 CA THR A 965 4.057 -1.535 -5.723 1.00 0.00 C ATOM 120 C THR A 965 2.575 -1.312 -6.036 1.00 0.00 C ATOM 121 O THR A 965 2.058 -1.864 -7.007 1.00 0.00 O ATOM 122 CB THR A 965 4.188 -2.386 -4.444 1.00 0.00 C ATOM 123 OG1 THR A 965 5.562 -2.727 -4.223 1.00 0.00 O ATOM 124 CG2 THR A 965 3.356 -3.657 -4.544 1.00 0.00 C ATOM 0 H THR A 965 4.519 0.285 -4.790 1.00 0.00 H new ATOM 0 HA THR A 965 4.508 -2.071 -6.558 1.00 0.00 H new ATOM 0 HB THR A 965 3.817 -1.796 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 965 5.638 -3.266 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 965 3.467 -4.238 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 965 2.307 -3.395 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 965 3.697 -4.249 -5.393 1.00 0.00 H new ATOM 132 N PRO A 966 1.863 -0.527 -5.203 1.00 0.00 N ATOM 133 CA PRO A 966 0.403 -0.388 -5.298 1.00 0.00 C ATOM 134 C PRO A 966 -0.044 0.188 -6.640 1.00 0.00 C ATOM 135 O PRO A 966 0.126 1.380 -6.899 1.00 0.00 O ATOM 136 CB PRO A 966 0.054 0.578 -4.158 1.00 0.00 C ATOM 137 CG PRO A 966 1.332 1.274 -3.835 1.00 0.00 C ATOM 138 CD PRO A 966 2.415 0.270 -4.097 1.00 0.00 C ATOM 0 HA PRO A 966 -0.098 -1.353 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.715 1.287 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -0.333 0.042 -3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 966 1.462 2.162 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 966 1.347 1.605 -2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 966 3.353 0.751 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 966 2.618 -0.343 -3.219 1.00 0.00 H new ATOM 146 N PRO A 967 -0.631 -0.655 -7.510 1.00 0.00 N ATOM 147 CA PRO A 967 -1.142 -0.227 -8.807 1.00 0.00 C ATOM 148 C PRO A 967 -2.599 0.218 -8.735 1.00 0.00 C ATOM 149 O PRO A 967 -3.455 -0.315 -9.443 1.00 0.00 O ATOM 150 CB PRO A 967 -1.009 -1.497 -9.638 1.00 0.00 C ATOM 151 CG PRO A 967 -1.255 -2.607 -8.667 1.00 0.00 C ATOM 152 CD PRO A 967 -0.847 -2.098 -7.301 1.00 0.00 C ATOM 0 HA PRO A 967 -0.609 0.634 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -1.732 -1.515 -10.453 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -0.019 -1.575 -10.088 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -2.305 -2.898 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -0.678 -3.491 -8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -1.623 -2.282 -6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.058 -2.590 -6.945 1.00 0.00 H new ATOM 160 N ASP A 968 -2.876 1.179 -7.858 1.00 0.00 N ATOM 161 CA ASP A 968 -4.247 1.592 -7.579 1.00 0.00 C ATOM 162 C ASP A 968 -5.098 0.396 -7.152 1.00 0.00 C ATOM 163 O ASP A 968 -5.623 -0.333 -7.994 1.00 0.00 O ATOM 164 CB ASP A 968 -4.855 2.263 -8.810 1.00 0.00 C ATOM 165 CG ASP A 968 -6.341 2.522 -8.658 1.00 0.00 C ATOM 166 OD1 ASP A 968 -6.706 3.598 -8.141 1.00 0.00 O ATOM 167 OD2 ASP A 968 -7.139 1.649 -9.059 1.00 0.00 O ATOM 0 H ASP A 968 -2.168 1.687 -7.328 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.230 2.309 -6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -4.342 3.207 -8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -4.687 1.632 -9.683 1.00 0.00 H new ATOM 172 N PRO A 969 -5.230 0.172 -5.831 1.00 0.00 N ATOM 173 CA PRO A 969 -5.946 -0.988 -5.289 1.00 0.00 C ATOM 174 C PRO A 969 -7.322 -1.174 -5.919 1.00 0.00 C ATOM 175 O PRO A 969 -8.009 -0.202 -6.233 1.00 0.00 O ATOM 176 CB PRO A 969 -6.080 -0.655 -3.803 1.00 0.00 C ATOM 177 CG PRO A 969 -4.919 0.229 -3.509 1.00 0.00 C ATOM 178 CD PRO A 969 -4.679 1.030 -4.761 1.00 0.00 C ATOM 0 HA PRO A 969 -5.418 -1.921 -5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -7.024 -0.152 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -6.056 -1.557 -3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -5.131 0.882 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -4.039 -0.358 -3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -5.182 1.996 -4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -3.618 1.229 -4.913 1.00 0.00 H new ATOM 186 N VAL A 970 -7.718 -2.432 -6.096 1.00 0.00 N ATOM 187 CA VAL A 970 -9.024 -2.753 -6.659 1.00 0.00 C ATOM 188 C VAL A 970 -10.145 -2.131 -5.831 1.00 0.00 C ATOM 189 O VAL A 970 -10.184 -2.282 -4.609 1.00 0.00 O ATOM 190 CB VAL A 970 -9.239 -4.278 -6.741 1.00 0.00 C ATOM 191 CG1 VAL A 970 -9.079 -4.919 -5.371 1.00 0.00 C ATOM 192 CG2 VAL A 970 -10.605 -4.598 -7.331 1.00 0.00 C ATOM 0 H VAL A 970 -7.151 -3.246 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 970 -9.049 -2.338 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 970 -8.478 -4.694 -7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -9.235 -5.995 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -8.075 -4.725 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -9.812 -4.497 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -10.736 -5.679 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -11.383 -4.166 -6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -10.675 -4.178 -8.334 1.00 0.00 H new ATOM 202 N ASN A 971 -11.043 -1.419 -6.504 1.00 0.00 N ATOM 203 CA ASN A 971 -12.122 -0.709 -5.825 1.00 0.00 C ATOM 204 C ASN A 971 -11.568 0.189 -4.724 1.00 0.00 C ATOM 205 O ASN A 971 -11.607 -0.161 -3.545 1.00 0.00 O ATOM 206 CB ASN A 971 -13.125 -1.703 -5.234 1.00 0.00 C ATOM 207 CG ASN A 971 -13.754 -2.588 -6.292 1.00 0.00 C ATOM 208 OD1 ASN A 971 -13.921 -2.180 -7.442 1.00 0.00 O ATOM 209 ND2 ASN A 971 -14.108 -3.809 -5.908 1.00 0.00 N ATOM 0 H ASN A 971 -11.045 -1.318 -7.519 1.00 0.00 H new ATOM 0 HA ASN A 971 -12.633 -0.085 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -12.622 -2.327 -4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -13.908 -1.156 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -14.537 -4.450 -6.576 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -13.951 -4.106 -4.945 1.00 0.00 H new ATOM 216 N GLY A 972 -11.043 1.346 -5.118 1.00 0.00 N ATOM 217 CA GLY A 972 -10.474 2.269 -4.154 1.00 0.00 C ATOM 218 C GLY A 972 -9.207 2.929 -4.660 1.00 0.00 C ATOM 219 O GLY A 972 -8.965 2.979 -5.867 1.00 0.00 O ATOM 0 H GLY A 972 -11.002 1.660 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -11.209 3.037 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -10.257 1.735 -3.229 1.00 0.00 H new ATOM 223 N MET A 973 -8.395 3.437 -3.737 1.00 0.00 N ATOM 224 CA MET A 973 -7.152 4.109 -4.097 1.00 0.00 C ATOM 225 C MET A 973 -6.233 4.245 -2.887 1.00 0.00 C ATOM 226 O MET A 973 -6.697 4.379 -1.754 1.00 0.00 O ATOM 227 CB MET A 973 -7.447 5.490 -4.684 1.00 0.00 C ATOM 228 CG MET A 973 -8.219 6.399 -3.741 1.00 0.00 C ATOM 229 SD MET A 973 -8.479 8.048 -4.420 1.00 0.00 S ATOM 230 CE MET A 973 -6.788 8.612 -4.601 1.00 0.00 C ATOM 0 H MET A 973 -8.576 3.396 -2.734 1.00 0.00 H new ATOM 0 HA MET A 973 -6.646 3.502 -4.847 1.00 0.00 H new ATOM 0 HB2 MET A 973 -6.506 5.971 -4.950 1.00 0.00 H new ATOM 0 HB3 MET A 973 -8.015 5.370 -5.606 1.00 0.00 H new ATOM 0 HG2 MET A 973 -9.185 5.947 -3.517 1.00 0.00 H new ATOM 0 HG3 MET A 973 -7.679 6.480 -2.798 1.00 0.00 H new ATOM 0 HE1 MET A 973 -6.767 9.702 -4.610 1.00 0.00 H new ATOM 0 HE2 MET A 973 -6.191 8.245 -3.766 1.00 0.00 H new ATOM 0 HE3 MET A 973 -6.376 8.233 -5.536 1.00 0.00 H new ATOM 240 N VAL A 974 -4.928 4.219 -3.136 1.00 0.00 N ATOM 241 CA VAL A 974 -3.942 4.392 -2.077 1.00 0.00 C ATOM 242 C VAL A 974 -3.479 5.844 -1.992 1.00 0.00 C ATOM 243 O VAL A 974 -3.390 6.537 -3.005 1.00 0.00 O ATOM 244 CB VAL A 974 -2.717 3.481 -2.297 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.063 3.775 -3.639 1.00 0.00 C ATOM 246 CG2 VAL A 974 -1.716 3.640 -1.161 1.00 0.00 C ATOM 0 H VAL A 974 -4.529 4.079 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.426 4.114 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 974 -3.059 2.446 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -1.201 3.122 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -2.781 3.599 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -1.738 4.815 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -0.860 2.988 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.380 4.676 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.190 3.370 -0.218 1.00 0.00 H new ATOM 256 N HIS A 975 -3.194 6.299 -0.775 1.00 0.00 N ATOM 257 CA HIS A 975 -2.774 7.677 -0.553 1.00 0.00 C ATOM 258 C HIS A 975 -1.366 7.732 0.031 1.00 0.00 C ATOM 259 O HIS A 975 -1.096 7.149 1.081 1.00 0.00 O ATOM 260 CB HIS A 975 -3.753 8.387 0.385 1.00 0.00 C ATOM 261 CG HIS A 975 -5.152 8.452 -0.145 1.00 0.00 C ATOM 262 ND1 HIS A 975 -5.672 9.570 -0.764 1.00 0.00 N ATOM 263 CD2 HIS A 975 -6.145 7.531 -0.144 1.00 0.00 C ATOM 264 CE1 HIS A 975 -6.921 9.334 -1.119 1.00 0.00 C ATOM 265 NE2 HIS A 975 -7.232 8.104 -0.755 1.00 0.00 N ATOM 0 H HIS A 975 -3.247 5.733 0.072 1.00 0.00 H new ATOM 0 HA HIS A 975 -2.769 8.186 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -3.761 7.872 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -3.396 9.400 0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -6.091 6.532 0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -7.577 10.029 -1.622 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -8.134 7.652 -0.904 1.00 0.00 H new ATOM 274 N VAL A 976 -0.472 8.437 -0.655 1.00 0.00 N ATOM 275 CA VAL A 976 0.901 8.588 -0.191 1.00 0.00 C ATOM 276 C VAL A 976 1.046 9.812 0.708 1.00 0.00 C ATOM 277 O VAL A 976 0.457 10.859 0.443 1.00 0.00 O ATOM 278 CB VAL A 976 1.886 8.708 -1.372 1.00 0.00 C ATOM 279 CG1 VAL A 976 1.558 9.924 -2.225 1.00 0.00 C ATOM 280 CG2 VAL A 976 3.321 8.768 -0.872 1.00 0.00 C ATOM 0 H VAL A 976 -0.675 8.913 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 976 1.142 7.691 0.380 1.00 0.00 H new ATOM 0 HB VAL A 976 1.782 7.820 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 976 2.265 9.990 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 976 0.546 9.830 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 976 1.628 10.825 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 976 3.999 8.852 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 976 3.444 9.634 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 976 3.550 7.860 -0.314 1.00 0.00 H new ATOM 290 N ILE A 977 1.827 9.671 1.775 1.00 0.00 N ATOM 291 CA ILE A 977 2.040 10.767 2.714 1.00 0.00 C ATOM 292 C ILE A 977 2.609 11.993 2.008 1.00 0.00 C ATOM 293 O ILE A 977 1.907 12.984 1.799 1.00 0.00 O ATOM 294 CB ILE A 977 2.991 10.353 3.856 1.00 0.00 C ATOM 295 CG1 ILE A 977 2.449 9.118 4.583 1.00 0.00 C ATOM 296 CG2 ILE A 977 3.188 11.507 4.830 1.00 0.00 C ATOM 297 CD1 ILE A 977 1.085 9.325 5.207 1.00 0.00 C ATOM 0 H ILE A 977 2.322 8.811 2.010 1.00 0.00 H new ATOM 0 HA ILE A 977 1.067 11.016 3.137 1.00 0.00 H new ATOM 0 HB ILE A 977 3.960 10.099 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 977 2.394 8.288 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 977 3.154 8.828 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 977 3.862 11.198 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 977 3.618 12.359 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 977 2.226 11.792 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 977 0.769 8.407 5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 977 1.138 10.132 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 977 0.365 9.584 4.431 1.00 0.00 H new ATOM 309 N THR A 978 3.883 11.916 1.635 1.00 0.00 N ATOM 310 CA THR A 978 4.539 13.003 0.918 1.00 0.00 C ATOM 311 C THR A 978 5.467 12.459 -0.162 1.00 0.00 C ATOM 312 O THR A 978 5.521 12.988 -1.274 1.00 0.00 O ATOM 313 CB THR A 978 5.350 13.899 1.875 1.00 0.00 C ATOM 314 OG1 THR A 978 4.500 14.399 2.914 1.00 0.00 O ATOM 315 CG2 THR A 978 5.979 15.064 1.126 1.00 0.00 C ATOM 0 H THR A 978 4.482 11.111 1.818 1.00 0.00 H new ATOM 0 HA THR A 978 3.754 13.600 0.455 1.00 0.00 H new ATOM 0 HB THR A 978 6.146 13.297 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 978 5.022 14.966 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 978 6.546 15.681 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 978 6.647 14.682 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 978 5.196 15.665 0.664 1.00 0.00 H new ATOM 323 N ASP A 979 6.189 11.393 0.169 1.00 0.00 N ATOM 324 CA ASP A 979 7.068 10.733 -0.789 1.00 0.00 C ATOM 325 C ASP A 979 6.977 9.218 -0.647 1.00 0.00 C ATOM 326 O ASP A 979 6.284 8.709 0.235 1.00 0.00 O ATOM 327 CB ASP A 979 8.514 11.191 -0.586 1.00 0.00 C ATOM 328 CG ASP A 979 8.683 12.684 -0.784 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.949 13.104 -1.930 1.00 0.00 O ATOM 330 OD2 ASP A 979 8.549 13.434 0.205 1.00 0.00 O ATOM 0 H ASP A 979 6.182 10.967 1.096 1.00 0.00 H new ATOM 0 HA ASP A 979 6.747 11.008 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 979 8.839 10.922 0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 979 9.161 10.660 -1.284 1.00 0.00 H new ATOM 335 N ILE A 980 7.678 8.501 -1.519 1.00 0.00 N ATOM 336 CA ILE A 980 7.674 7.045 -1.486 1.00 0.00 C ATOM 337 C ILE A 980 9.096 6.498 -1.390 1.00 0.00 C ATOM 338 O ILE A 980 9.603 5.881 -2.327 1.00 0.00 O ATOM 339 CB ILE A 980 6.984 6.452 -2.731 1.00 0.00 C ATOM 340 CG1 ILE A 980 5.636 7.137 -2.967 1.00 0.00 C ATOM 341 CG2 ILE A 980 6.798 4.951 -2.567 1.00 0.00 C ATOM 342 CD1 ILE A 980 4.931 6.675 -4.225 1.00 0.00 C ATOM 0 H ILE A 980 8.255 8.905 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 980 7.112 6.748 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 980 7.618 6.628 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 980 4.989 6.952 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 980 5.791 8.215 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 980 6.310 4.546 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 980 7.771 4.476 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 980 6.180 4.755 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 980 3.983 7.204 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 980 5.558 6.885 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 980 4.744 5.603 -4.164 1.00 0.00 H new ATOM 354 N GLN A 981 9.729 6.726 -0.246 1.00 0.00 N ATOM 355 CA GLN A 981 11.068 6.207 0.005 1.00 0.00 C ATOM 356 C GLN A 981 11.099 5.391 1.294 1.00 0.00 C ATOM 357 O GLN A 981 10.073 5.212 1.949 1.00 0.00 O ATOM 358 CB GLN A 981 12.077 7.354 0.088 1.00 0.00 C ATOM 359 CG GLN A 981 12.148 8.196 -1.176 1.00 0.00 C ATOM 360 CD GLN A 981 13.142 9.335 -1.064 1.00 0.00 C ATOM 361 OE1 GLN A 981 14.141 9.235 -0.352 1.00 0.00 O ATOM 362 NE2 GLN A 981 12.871 10.428 -1.768 1.00 0.00 N ATOM 0 H GLN A 981 9.336 7.268 0.524 1.00 0.00 H new ATOM 0 HA GLN A 981 11.341 5.555 -0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.815 7.997 0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 981 13.065 6.943 0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 981 12.424 7.560 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.160 8.601 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 981 12.031 10.468 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 981 13.503 11.228 -1.731 1.00 0.00 H new ATOM 371 N VAL A 982 12.281 4.903 1.653 1.00 0.00 N ATOM 372 CA VAL A 982 12.449 4.138 2.882 1.00 0.00 C ATOM 373 C VAL A 982 12.032 4.958 4.101 1.00 0.00 C ATOM 374 O VAL A 982 12.302 6.157 4.176 1.00 0.00 O ATOM 375 CB VAL A 982 13.908 3.671 3.059 1.00 0.00 C ATOM 376 CG1 VAL A 982 14.855 4.861 3.080 1.00 0.00 C ATOM 377 CG2 VAL A 982 14.057 2.839 4.325 1.00 0.00 C ATOM 0 H VAL A 982 13.136 5.024 1.111 1.00 0.00 H new ATOM 0 HA VAL A 982 11.805 3.262 2.802 1.00 0.00 H new ATOM 0 HB VAL A 982 14.171 3.043 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.879 4.509 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 982 14.772 5.408 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 982 14.593 5.520 3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 982 15.094 2.520 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.772 3.438 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 982 13.412 1.962 4.262 1.00 0.00 H new ATOM 387 N GLY A 983 11.373 4.303 5.051 1.00 0.00 N ATOM 388 CA GLY A 983 10.945 4.983 6.261 1.00 0.00 C ATOM 389 C GLY A 983 9.552 5.570 6.135 1.00 0.00 C ATOM 390 O GLY A 983 8.914 5.889 7.138 1.00 0.00 O ATOM 0 H GLY A 983 11.127 3.314 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.966 4.282 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.651 5.779 6.496 1.00 0.00 H new ATOM 394 N SER A 984 9.081 5.715 4.901 1.00 0.00 N ATOM 395 CA SER A 984 7.757 6.272 4.648 1.00 0.00 C ATOM 396 C SER A 984 6.667 5.272 5.019 1.00 0.00 C ATOM 397 O SER A 984 6.881 4.060 4.969 1.00 0.00 O ATOM 398 CB SER A 984 7.620 6.671 3.177 1.00 0.00 C ATOM 399 OG SER A 984 8.590 7.640 2.818 1.00 0.00 O ATOM 0 H SER A 984 9.596 5.455 4.060 1.00 0.00 H new ATOM 0 HA SER A 984 7.639 7.159 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 984 7.732 5.789 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 984 6.621 7.068 2.996 1.00 0.00 H new ATOM 0 HG SER A 984 9.408 7.190 2.520 1.00 0.00 H new ATOM 405 N ARG A 985 5.501 5.787 5.396 1.00 0.00 N ATOM 406 CA ARG A 985 4.385 4.939 5.799 1.00 0.00 C ATOM 407 C ARG A 985 3.069 5.465 5.232 1.00 0.00 C ATOM 408 O ARG A 985 2.376 6.255 5.874 1.00 0.00 O ATOM 409 CB ARG A 985 4.304 4.863 7.326 1.00 0.00 C ATOM 410 CG ARG A 985 3.185 3.969 7.835 1.00 0.00 C ATOM 411 CD ARG A 985 3.139 3.945 9.354 1.00 0.00 C ATOM 412 NE ARG A 985 4.382 3.438 9.931 1.00 0.00 N ATOM 413 CZ ARG A 985 4.617 3.380 11.239 1.00 0.00 C ATOM 414 NH1 ARG A 985 3.699 3.794 12.101 1.00 0.00 N ATOM 415 NH2 ARG A 985 5.772 2.905 11.684 1.00 0.00 N ATOM 0 H ARG A 985 5.305 6.787 5.431 1.00 0.00 H new ATOM 0 HA ARG A 985 4.556 3.939 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.255 4.497 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 985 4.164 5.868 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.230 4.323 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.327 2.956 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 985 2.950 4.952 9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.307 3.322 9.682 1.00 0.00 H new ATOM 0 HE ARG A 985 5.110 3.110 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 985 2.809 4.159 11.762 1.00 0.00 H new ATOM 0 HH12 ARG A 985 3.883 3.748 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 985 6.480 2.584 11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 985 5.953 2.860 12.687 1.00 0.00 H new ATOM 429 N ILE A 986 2.729 5.017 4.027 1.00 0.00 N ATOM 430 CA ILE A 986 1.483 5.421 3.386 1.00 0.00 C ATOM 431 C ILE A 986 0.296 4.665 3.975 1.00 0.00 C ATOM 432 O ILE A 986 0.471 3.736 4.764 1.00 0.00 O ATOM 433 CB ILE A 986 1.531 5.182 1.863 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.637 3.686 1.559 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.701 5.938 1.249 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.610 3.361 0.082 1.00 0.00 C ATOM 0 H ILE A 986 3.298 4.375 3.476 1.00 0.00 H new ATOM 0 HA ILE A 986 1.359 6.488 3.572 1.00 0.00 H new ATOM 0 HB ILE A 986 0.607 5.555 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.562 3.302 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.816 3.165 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.724 5.761 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.585 7.005 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.633 5.590 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.689 2.283 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.674 3.714 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 986 2.447 3.852 -0.414 1.00 0.00 H new ATOM 448 N THR A 987 -0.911 5.074 3.597 1.00 0.00 N ATOM 449 CA THR A 987 -2.125 4.470 4.135 1.00 0.00 C ATOM 450 C THR A 987 -3.113 4.126 3.024 1.00 0.00 C ATOM 451 O THR A 987 -3.286 4.890 2.075 1.00 0.00 O ATOM 452 CB THR A 987 -2.815 5.402 5.148 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.149 6.646 4.522 1.00 0.00 O ATOM 454 CG2 THR A 987 -1.913 5.659 6.347 1.00 0.00 C ATOM 0 H THR A 987 -1.074 5.820 2.921 1.00 0.00 H new ATOM 0 HA THR A 987 -1.821 3.554 4.641 1.00 0.00 H new ATOM 0 HB THR A 987 -3.726 4.914 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.589 7.232 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.421 6.320 7.049 1.00 0.00 H new ATOM 0 HG22 THR A 987 -1.684 4.714 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 987 -0.988 6.128 6.012 1.00 0.00 H new ATOM 462 N TYR A 988 -3.763 2.975 3.158 1.00 0.00 N ATOM 463 CA TYR A 988 -4.766 2.542 2.190 1.00 0.00 C ATOM 464 C TYR A 988 -6.173 2.782 2.728 1.00 0.00 C ATOM 465 O TYR A 988 -6.421 2.639 3.925 1.00 0.00 O ATOM 466 CB TYR A 988 -4.577 1.060 1.857 1.00 0.00 C ATOM 467 CG TYR A 988 -3.237 0.743 1.233 1.00 0.00 C ATOM 468 CD1 TYR A 988 -2.085 0.676 2.007 1.00 0.00 C ATOM 469 CD2 TYR A 988 -3.123 0.510 -0.132 1.00 0.00 C ATOM 470 CE1 TYR A 988 -0.858 0.387 1.440 1.00 0.00 C ATOM 471 CE2 TYR A 988 -1.899 0.220 -0.707 1.00 0.00 C ATOM 472 CZ TYR A 988 -0.771 0.159 0.084 1.00 0.00 C ATOM 473 OH TYR A 988 0.449 -0.129 -0.486 1.00 0.00 O ATOM 0 H TYR A 988 -3.613 2.324 3.929 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.639 3.128 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -4.691 0.474 2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.368 0.746 1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -2.149 0.853 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -4.005 0.556 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 988 0.028 0.340 2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.827 0.042 -1.770 1.00 0.00 H new ATOM 0 HH TYR A 988 0.317 -0.704 -1.269 1.00 0.00 H new ATOM 483 N SER A 989 -7.088 3.165 1.841 1.00 0.00 N ATOM 484 CA SER A 989 -8.435 3.541 2.251 1.00 0.00 C ATOM 485 C SER A 989 -9.484 2.637 1.609 1.00 0.00 C ATOM 486 O SER A 989 -10.496 2.313 2.229 1.00 0.00 O ATOM 487 CB SER A 989 -8.713 4.999 1.884 1.00 0.00 C ATOM 488 OG SER A 989 -7.793 5.870 2.521 1.00 0.00 O ATOM 0 H SER A 989 -6.920 3.223 0.837 1.00 0.00 H new ATOM 0 HA SER A 989 -8.498 3.422 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.648 5.124 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 989 -9.730 5.263 2.175 1.00 0.00 H new ATOM 0 HG SER A 989 -7.991 6.796 2.269 1.00 0.00 H new ATOM 494 N CYS A 990 -9.243 2.252 0.357 1.00 0.00 N ATOM 495 CA CYS A 990 -10.217 1.481 -0.415 1.00 0.00 C ATOM 496 C CYS A 990 -11.506 2.277 -0.612 1.00 0.00 C ATOM 497 O CYS A 990 -11.746 3.269 0.076 1.00 0.00 O ATOM 498 CB CYS A 990 -10.522 0.149 0.281 1.00 0.00 C ATOM 499 SG CYS A 990 -11.630 -0.952 -0.657 1.00 0.00 S ATOM 0 H CYS A 990 -8.380 2.462 -0.145 1.00 0.00 H new ATOM 0 HA CYS A 990 -9.785 1.275 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -9.583 -0.373 0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -10.971 0.355 1.253 1.00 0.00 H new ATOM 504 N THR A 991 -12.330 1.838 -1.558 1.00 0.00 N ATOM 505 CA THR A 991 -13.594 2.508 -1.841 1.00 0.00 C ATOM 506 C THR A 991 -14.477 2.559 -0.599 1.00 0.00 C ATOM 507 O THR A 991 -14.477 1.633 0.214 1.00 0.00 O ATOM 508 CB THR A 991 -14.361 1.807 -2.979 1.00 0.00 C ATOM 509 OG1 THR A 991 -15.648 2.412 -3.149 1.00 0.00 O ATOM 510 CG2 THR A 991 -14.527 0.323 -2.688 1.00 0.00 C ATOM 0 H THR A 991 -12.145 1.022 -2.141 1.00 0.00 H new ATOM 0 HA THR A 991 -13.352 3.524 -2.153 1.00 0.00 H new ATOM 0 HB THR A 991 -13.784 1.918 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 991 -16.128 1.962 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 991 -15.071 -0.149 -3.506 1.00 0.00 H new ATOM 0 HG22 THR A 991 -13.545 -0.141 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 991 -15.083 0.194 -1.760 1.00 0.00 H new ATOM 518 N THR A 992 -15.217 3.655 -0.451 1.00 0.00 N ATOM 519 CA THR A 992 -16.047 3.868 0.730 1.00 0.00 C ATOM 520 C THR A 992 -17.025 2.716 0.934 1.00 0.00 C ATOM 521 O THR A 992 -17.628 2.224 -0.019 1.00 0.00 O ATOM 522 CB THR A 992 -16.836 5.187 0.632 1.00 0.00 C ATOM 523 OG1 THR A 992 -17.691 5.334 1.772 1.00 0.00 O ATOM 524 CG2 THR A 992 -17.667 5.230 -0.642 1.00 0.00 C ATOM 0 H THR A 992 -15.258 4.410 -1.136 1.00 0.00 H new ATOM 0 HA THR A 992 -15.371 3.920 1.584 1.00 0.00 H new ATOM 0 HB THR A 992 -16.121 6.009 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 992 -18.187 6.176 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 992 -18.215 6.171 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 992 -17.010 5.150 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 992 -18.373 4.399 -0.644 1.00 0.00 H new ATOM 532 N GLY A 993 -17.170 2.288 2.184 1.00 0.00 N ATOM 533 CA GLY A 993 -18.051 1.176 2.491 1.00 0.00 C ATOM 534 C GLY A 993 -17.340 -0.161 2.419 1.00 0.00 C ATOM 535 O GLY A 993 -17.982 -1.210 2.368 1.00 0.00 O ATOM 0 H GLY A 993 -16.693 2.692 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -18.467 1.310 3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -18.889 1.177 1.794 1.00 0.00 H new ATOM 539 N HIS A 994 -16.011 -0.122 2.408 1.00 0.00 N ATOM 540 CA HIS A 994 -15.210 -1.337 2.308 1.00 0.00 C ATOM 541 C HIS A 994 -14.034 -1.298 3.279 1.00 0.00 C ATOM 542 O HIS A 994 -13.166 -0.430 3.182 1.00 0.00 O ATOM 543 CB HIS A 994 -14.698 -1.516 0.877 1.00 0.00 C ATOM 544 CG HIS A 994 -15.789 -1.669 -0.135 1.00 0.00 C ATOM 545 ND1 HIS A 994 -16.629 -0.637 -0.499 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.180 -2.743 -0.862 1.00 0.00 C ATOM 547 CE1 HIS A 994 -17.489 -1.070 -1.405 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.237 -2.344 -1.642 1.00 0.00 N ATOM 0 H HIS A 994 -15.466 0.738 2.467 1.00 0.00 H new ATOM 0 HA HIS A 994 -15.845 -2.183 2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.084 -0.656 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -14.052 -2.393 0.838 1.00 0.00 H new ATOM 0 HD1 HIS A 994 -16.592 0.312 -0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -15.742 -3.730 -0.833 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -18.265 -0.482 -1.872 1.00 0.00 H new ATOM 557 N ARG A 995 -14.008 -2.250 4.205 1.00 0.00 N ATOM 558 CA ARG A 995 -12.898 -2.375 5.143 1.00 0.00 C ATOM 559 C ARG A 995 -11.870 -3.378 4.631 1.00 0.00 C ATOM 560 O ARG A 995 -12.158 -4.569 4.516 1.00 0.00 O ATOM 561 CB ARG A 995 -13.411 -2.807 6.518 1.00 0.00 C ATOM 562 CG ARG A 995 -12.317 -2.918 7.568 1.00 0.00 C ATOM 563 CD ARG A 995 -12.865 -3.415 8.895 1.00 0.00 C ATOM 564 NE ARG A 995 -13.889 -2.525 9.433 1.00 0.00 N ATOM 565 CZ ARG A 995 -14.539 -2.750 10.571 1.00 0.00 C ATOM 566 NH1 ARG A 995 -14.273 -3.834 11.287 1.00 0.00 N ATOM 567 NH2 ARG A 995 -15.457 -1.892 10.993 1.00 0.00 N ATOM 0 H ARG A 995 -14.743 -2.947 4.326 1.00 0.00 H new ATOM 0 HA ARG A 995 -12.417 -1.401 5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.159 -2.091 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -13.912 -3.771 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -11.542 -3.598 7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -11.847 -1.945 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -13.285 -4.412 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -12.050 -3.505 9.613 1.00 0.00 H new ATOM 0 HE ARG A 995 -14.119 -1.682 8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -13.568 -4.498 10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -14.773 -4.004 12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -15.666 -1.058 10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -15.955 -2.066 11.866 1.00 0.00 H new ATOM 581 N LEU A 996 -10.676 -2.887 4.316 1.00 0.00 N ATOM 582 CA LEU A 996 -9.632 -3.720 3.743 1.00 0.00 C ATOM 583 C LEU A 996 -9.307 -4.899 4.655 1.00 0.00 C ATOM 584 O LEU A 996 -9.519 -4.838 5.866 1.00 0.00 O ATOM 585 CB LEU A 996 -8.380 -2.878 3.488 1.00 0.00 C ATOM 586 CG LEU A 996 -7.942 -1.983 4.651 1.00 0.00 C ATOM 587 CD1 LEU A 996 -7.228 -2.800 5.718 1.00 0.00 C ATOM 588 CD2 LEU A 996 -7.039 -0.867 4.149 1.00 0.00 C ATOM 0 H LEU A 996 -10.409 -1.912 4.450 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.991 -4.122 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -7.557 -3.548 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -8.557 -2.250 2.615 1.00 0.00 H new ATOM 0 HG LEU A 996 -8.832 -1.539 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -6.925 -2.146 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -7.901 -3.568 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -6.346 -3.272 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -6.736 -0.239 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -6.154 -1.298 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -7.578 -0.263 3.420 1.00 0.00 H new ATOM 600 N ILE A 997 -8.799 -5.975 4.063 1.00 0.00 N ATOM 601 CA ILE A 997 -8.488 -7.186 4.812 1.00 0.00 C ATOM 602 C ILE A 997 -7.058 -7.640 4.549 1.00 0.00 C ATOM 603 O ILE A 997 -6.800 -8.418 3.629 1.00 0.00 O ATOM 604 CB ILE A 997 -9.456 -8.330 4.456 1.00 0.00 C ATOM 605 CG1 ILE A 997 -10.900 -7.901 4.725 1.00 0.00 C ATOM 606 CG2 ILE A 997 -9.111 -9.589 5.240 1.00 0.00 C ATOM 607 CD1 ILE A 997 -11.202 -7.651 6.188 1.00 0.00 C ATOM 0 H ILE A 997 -8.594 -6.032 3.065 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.600 -6.944 5.869 1.00 0.00 H new ATOM 0 HB ILE A 997 -9.354 -8.556 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -11.110 -6.993 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -11.574 -8.672 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -9.806 -10.385 4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -8.094 -9.900 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -9.185 -9.384 6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -12.244 -7.351 6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -11.025 -8.564 6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -10.555 -6.858 6.563 1.00 0.00 H new ATOM 619 N GLY A 998 -6.132 -7.157 5.370 1.00 0.00 N ATOM 620 CA GLY A 998 -4.747 -7.574 5.250 1.00 0.00 C ATOM 621 C GLY A 998 -3.772 -6.427 5.400 1.00 0.00 C ATOM 622 O GLY A 998 -2.764 -6.543 6.098 1.00 0.00 O ATOM 0 H GLY A 998 -6.315 -6.485 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.533 -8.328 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.598 -8.046 4.279 1.00 0.00 H new ATOM 626 N HIS A 999 -4.062 -5.330 4.720 1.00 0.00 N ATOM 627 CA HIS A 999 -3.139 -4.209 4.641 1.00 0.00 C ATOM 628 C HIS A 999 -2.991 -3.508 5.987 1.00 0.00 C ATOM 629 O HIS A 999 -1.990 -3.689 6.680 1.00 0.00 O ATOM 630 CB HIS A 999 -3.614 -3.218 3.581 1.00 0.00 C ATOM 631 CG HIS A 999 -3.087 -3.510 2.212 1.00 0.00 C ATOM 632 ND1 HIS A 999 -2.287 -2.633 1.511 1.00 0.00 N ATOM 633 CD2 HIS A 999 -3.246 -4.592 1.414 1.00 0.00 C ATOM 634 CE1 HIS A 999 -1.978 -3.162 0.340 1.00 0.00 C ATOM 635 NE2 HIS A 999 -2.547 -4.349 0.258 1.00 0.00 N ATOM 0 H HIS A 999 -4.935 -5.191 4.211 1.00 0.00 H new ATOM 0 HA HIS A 999 -2.160 -4.599 4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -4.704 -3.225 3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -3.309 -2.213 3.872 1.00 0.00 H new ATOM 0 HD1 HIS A 999 -1.981 -1.719 1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -3.816 -5.480 1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -1.364 -2.701 -0.420 1.00 0.00 H new ATOM 644 N SER A1000 -3.981 -2.690 6.339 1.00 0.00 N ATOM 645 CA SER A1000 -3.911 -1.865 7.538 1.00 0.00 C ATOM 646 C SER A1000 -2.607 -1.079 7.567 1.00 0.00 C ATOM 647 O SER A1000 -1.844 -1.154 8.531 1.00 0.00 O ATOM 648 CB SER A1000 -4.046 -2.725 8.800 1.00 0.00 C ATOM 649 OG SER A1000 -2.937 -3.594 8.956 1.00 0.00 O ATOM 0 H SER A1000 -4.844 -2.582 5.806 1.00 0.00 H new ATOM 0 HA SER A1000 -4.742 -1.160 7.516 1.00 0.00 H new ATOM 0 HB2 SER A1000 -4.130 -2.080 9.674 1.00 0.00 H new ATOM 0 HB3 SER A1000 -4.964 -3.310 8.747 1.00 0.00 H new ATOM 0 HG SER A1000 -2.209 -3.304 8.368 1.00 0.00 H new ATOM 655 N SER A1001 -2.358 -0.332 6.492 1.00 0.00 N ATOM 656 CA SER A1001 -1.141 0.461 6.363 1.00 0.00 C ATOM 657 C SER A1001 0.085 -0.437 6.234 1.00 0.00 C ATOM 658 O SER A1001 0.055 -1.607 6.614 1.00 0.00 O ATOM 659 CB SER A1001 -0.988 1.393 7.564 1.00 0.00 C ATOM 660 OG SER A1001 0.179 2.190 7.450 1.00 0.00 O ATOM 0 H SER A1001 -2.989 -0.261 5.694 1.00 0.00 H new ATOM 0 HA SER A1001 -1.221 1.061 5.456 1.00 0.00 H new ATOM 0 HB2 SER A1001 -1.864 2.036 7.642 1.00 0.00 H new ATOM 0 HB3 SER A1001 -0.942 0.805 8.480 1.00 0.00 H new ATOM 0 HG SER A1001 0.187 2.635 6.577 1.00 0.00 H new ATOM 666 N ALA A1002 1.159 0.115 5.677 1.00 0.00 N ATOM 667 CA ALA A1002 2.361 -0.663 5.400 1.00 0.00 C ATOM 668 C ALA A1002 3.620 0.153 5.663 1.00 0.00 C ATOM 669 O ALA A1002 3.550 1.313 6.069 1.00 0.00 O ATOM 670 CB ALA A1002 2.347 -1.158 3.963 1.00 0.00 C ATOM 0 H ALA A1002 1.221 1.097 5.409 1.00 0.00 H new ATOM 0 HA ALA A1002 2.369 -1.521 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A1002 3.250 -1.737 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.471 -1.787 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A1002 2.310 -0.305 3.285 1.00 0.00 H new ATOM 676 N GLU A1003 4.774 -0.463 5.423 1.00 0.00 N ATOM 677 CA GLU A1003 6.054 0.211 5.597 1.00 0.00 C ATOM 678 C GLU A1003 7.019 -0.164 4.476 1.00 0.00 C ATOM 679 O GLU A1003 7.313 -1.340 4.267 1.00 0.00 O ATOM 680 CB GLU A1003 6.663 -0.149 6.953 1.00 0.00 C ATOM 681 CG GLU A1003 7.984 0.551 7.234 1.00 0.00 C ATOM 682 CD GLU A1003 8.572 0.167 8.577 1.00 0.00 C ATOM 683 OE1 GLU A1003 9.343 -0.813 8.630 1.00 0.00 O ATOM 684 OE2 GLU A1003 8.261 0.849 9.578 1.00 0.00 O ATOM 0 H GLU A1003 4.847 -1.430 5.107 1.00 0.00 H new ATOM 0 HA GLU A1003 5.881 1.286 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.953 0.105 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.816 -1.227 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.696 0.305 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.833 1.630 7.203 1.00 0.00 H new ATOM 691 N CYS A1004 7.502 0.844 3.758 1.00 0.00 N ATOM 692 CA CYS A1004 8.419 0.621 2.644 1.00 0.00 C ATOM 693 C CYS A1004 9.695 -0.069 3.119 1.00 0.00 C ATOM 694 O CYS A1004 10.599 0.576 3.654 1.00 0.00 O ATOM 695 CB CYS A1004 8.761 1.951 1.968 1.00 0.00 C ATOM 696 SG CYS A1004 9.825 1.788 0.499 1.00 0.00 S ATOM 0 H CYS A1004 7.274 1.824 3.927 1.00 0.00 H new ATOM 0 HA CYS A1004 7.926 -0.030 1.921 1.00 0.00 H new ATOM 0 HB2 CYS A1004 7.835 2.448 1.679 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.257 2.597 2.692 1.00 0.00 H new ATOM 701 N ILE A1005 9.756 -1.383 2.928 1.00 0.00 N ATOM 702 CA ILE A1005 10.900 -2.170 3.374 1.00 0.00 C ATOM 703 C ILE A1005 11.544 -2.916 2.210 1.00 0.00 C ATOM 704 O ILE A1005 10.858 -3.555 1.412 1.00 0.00 O ATOM 705 CB ILE A1005 10.495 -3.186 4.462 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.377 -4.099 3.953 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.059 -2.460 5.726 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.078 -5.264 4.872 1.00 0.00 C ATOM 0 H ILE A1005 9.026 -1.926 2.467 1.00 0.00 H new ATOM 0 HA ILE A1005 11.621 -1.468 3.794 1.00 0.00 H new ATOM 0 HB ILE A1005 11.361 -3.805 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.470 -3.509 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A1005 9.653 -4.484 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.776 -3.189 6.485 1.00 0.00 H new ATOM 0 HG22 ILE A1005 10.882 -1.850 6.098 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.206 -1.820 5.502 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.276 -5.867 4.446 1.00 0.00 H new ATOM 0 HD12 ILE A1005 9.972 -5.877 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A1005 8.771 -4.888 5.848 1.00 0.00 H new ATOM 720 N LEU A1006 12.868 -2.836 2.121 1.00 0.00 N ATOM 721 CA LEU A1006 13.608 -3.523 1.070 1.00 0.00 C ATOM 722 C LEU A1006 13.882 -4.972 1.458 1.00 0.00 C ATOM 723 O LEU A1006 14.138 -5.275 2.624 1.00 0.00 O ATOM 724 CB LEU A1006 14.928 -2.803 0.785 1.00 0.00 C ATOM 725 CG LEU A1006 14.794 -1.340 0.353 1.00 0.00 C ATOM 726 CD1 LEU A1006 14.524 -0.448 1.555 1.00 0.00 C ATOM 727 CD2 LEU A1006 16.050 -0.884 -0.374 1.00 0.00 C ATOM 0 H LEU A1006 13.450 -2.301 2.765 1.00 0.00 H new ATOM 0 HA LEU A1006 12.997 -3.513 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A1006 15.547 -2.845 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A1006 15.459 -3.348 0.005 1.00 0.00 H new ATOM 0 HG LEU A1006 13.948 -1.261 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A1006 14.432 0.587 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A1006 13.598 -0.759 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A1006 15.348 -0.532 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A1006 15.939 0.158 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A1006 16.910 -0.980 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A1006 16.203 -1.502 -1.259 1.00 0.00 H new ATOM 739 N SER A1007 13.831 -5.864 0.473 1.00 0.00 N ATOM 740 CA SER A1007 14.082 -7.280 0.711 1.00 0.00 C ATOM 741 C SER A1007 14.897 -7.888 -0.428 1.00 0.00 C ATOM 742 O SER A1007 14.863 -9.098 -0.650 1.00 0.00 O ATOM 743 CB SER A1007 12.761 -8.034 0.868 1.00 0.00 C ATOM 744 OG SER A1007 11.964 -7.916 -0.299 1.00 0.00 O ATOM 0 H SER A1007 13.618 -5.631 -0.497 1.00 0.00 H new ATOM 0 HA SER A1007 14.656 -7.372 1.633 1.00 0.00 H new ATOM 0 HB2 SER A1007 12.961 -9.086 1.071 1.00 0.00 H new ATOM 0 HB3 SER A1007 12.215 -7.642 1.726 1.00 0.00 H new ATOM 0 HG SER A1007 11.126 -8.408 -0.174 1.00 0.00 H new ATOM 750 N GLY A1008 15.626 -7.039 -1.144 1.00 0.00 N ATOM 751 CA GLY A1008 16.435 -7.509 -2.254 1.00 0.00 C ATOM 752 C GLY A1008 16.837 -6.390 -3.194 1.00 0.00 C ATOM 753 O GLY A1008 17.436 -5.401 -2.771 1.00 0.00 O ATOM 0 H GLY A1008 15.671 -6.034 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A1008 17.331 -7.993 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A1008 15.880 -8.264 -2.810 1.00 0.00 H new ATOM 757 N ASN A1009 16.505 -6.545 -4.472 1.00 0.00 N ATOM 758 CA ASN A1009 16.831 -5.537 -5.475 1.00 0.00 C ATOM 759 C ASN A1009 15.680 -4.549 -5.644 1.00 0.00 C ATOM 760 O ASN A1009 15.796 -3.564 -6.373 1.00 0.00 O ATOM 761 CB ASN A1009 17.148 -6.207 -6.814 1.00 0.00 C ATOM 762 CG ASN A1009 17.626 -5.218 -7.859 1.00 0.00 C ATOM 763 OD1 ASN A1009 18.236 -4.199 -7.535 1.00 0.00 O ATOM 764 ND2 ASN A1009 17.351 -5.516 -9.124 1.00 0.00 N ATOM 0 H ASN A1009 16.011 -7.359 -4.837 1.00 0.00 H new ATOM 0 HA ASN A1009 17.709 -4.988 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A1009 17.912 -6.969 -6.663 1.00 0.00 H new ATOM 0 HB3 ASN A1009 16.257 -6.717 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A1009 17.648 -4.889 -9.872 1.00 0.00 H new ATOM 0 HD22 ASN A1009 16.843 -6.372 -9.348 1.00 0.00 H new ATOM 771 N THR A1010 14.571 -4.819 -4.963 1.00 0.00 N ATOM 772 CA THR A1010 13.399 -3.955 -5.034 1.00 0.00 C ATOM 773 C THR A1010 12.718 -3.843 -3.674 1.00 0.00 C ATOM 774 O THR A1010 12.638 -4.819 -2.926 1.00 0.00 O ATOM 775 CB THR A1010 12.380 -4.476 -6.067 1.00 0.00 C ATOM 776 OG1 THR A1010 13.009 -4.617 -7.346 1.00 0.00 O ATOM 777 CG2 THR A1010 11.194 -3.529 -6.185 1.00 0.00 C ATOM 0 H THR A1010 14.460 -5.630 -4.355 1.00 0.00 H new ATOM 0 HA THR A1010 13.748 -2.970 -5.345 1.00 0.00 H new ATOM 0 HB THR A1010 12.018 -5.447 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A1010 12.356 -4.950 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A1010 10.489 -3.918 -6.920 1.00 0.00 H new ATOM 0 HG22 THR A1010 10.699 -3.443 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A1010 11.543 -2.546 -6.502 1.00 0.00 H new ATOM 785 N ALA A1011 12.229 -2.648 -3.358 1.00 0.00 N ATOM 786 CA ALA A1011 11.562 -2.406 -2.084 1.00 0.00 C ATOM 787 C ALA A1011 10.073 -2.720 -2.175 1.00 0.00 C ATOM 788 O ALA A1011 9.391 -2.285 -3.104 1.00 0.00 O ATOM 789 CB ALA A1011 11.773 -0.965 -1.643 1.00 0.00 C ATOM 0 H ALA A1011 12.282 -1.832 -3.967 1.00 0.00 H new ATOM 0 HA ALA A1011 12.002 -3.071 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.270 -0.799 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A1011 12.840 -0.772 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A1011 11.361 -0.291 -2.394 1.00 0.00 H new ATOM 795 N HIS A1012 9.573 -3.481 -1.205 1.00 0.00 N ATOM 796 CA HIS A1012 8.167 -3.864 -1.177 1.00 0.00 C ATOM 797 C HIS A1012 7.519 -3.456 0.142 1.00 0.00 C ATOM 798 O HIS A1012 8.204 -3.234 1.139 1.00 0.00 O ATOM 799 CB HIS A1012 8.024 -5.372 -1.385 1.00 0.00 C ATOM 800 CG HIS A1012 8.550 -5.847 -2.703 1.00 0.00 C ATOM 801 ND1 HIS A1012 7.746 -6.055 -3.803 1.00 0.00 N ATOM 802 CD2 HIS A1012 9.809 -6.154 -3.095 1.00 0.00 C ATOM 803 CE1 HIS A1012 8.487 -6.471 -4.815 1.00 0.00 C ATOM 804 NE2 HIS A1012 9.742 -6.539 -4.412 1.00 0.00 N ATOM 0 H HIS A1012 10.123 -3.845 -0.427 1.00 0.00 H new ATOM 0 HA HIS A1012 7.657 -3.343 -1.988 1.00 0.00 H new ATOM 0 HB2 HIS A1012 8.550 -5.892 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS A1012 6.971 -5.643 -1.304 1.00 0.00 H new ATOM 0 HD2 HIS A1012 10.700 -6.105 -2.486 1.00 0.00 H new ATOM 0 HE1 HIS A1012 8.127 -6.714 -5.804 1.00 0.00 H new ATOM 0 HE2 HIS A1012 10.534 -6.830 -4.985 1.00 0.00 H new ATOM 813 N TRP A1013 6.194 -3.356 0.137 1.00 0.00 N ATOM 814 CA TRP A1013 5.453 -2.945 1.324 1.00 0.00 C ATOM 815 C TRP A1013 5.098 -4.153 2.187 1.00 0.00 C ATOM 816 O TRP A1013 5.019 -5.278 1.693 1.00 0.00 O ATOM 817 CB TRP A1013 4.182 -2.197 0.921 1.00 0.00 C ATOM 818 CG TRP A1013 4.440 -1.048 -0.006 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.437 -1.079 -1.370 1.00 0.00 C ATOM 820 CD2 TRP A1013 4.744 0.304 0.362 1.00 0.00 C ATOM 821 NE1 TRP A1013 4.716 0.167 -1.873 1.00 0.00 N ATOM 822 CE2 TRP A1013 4.910 1.032 -0.830 1.00 0.00 C ATOM 823 CE3 TRP A1013 4.891 0.968 1.583 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.215 2.389 -0.839 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.194 2.317 1.574 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.353 3.015 0.370 1.00 0.00 C ATOM 0 H TRP A1013 5.611 -3.554 -0.676 1.00 0.00 H new ATOM 0 HA TRP A1013 6.087 -2.279 1.908 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.495 -2.894 0.442 1.00 0.00 H new ATOM 0 HB3 TRP A1013 3.686 -1.827 1.818 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.243 -1.957 -1.968 1.00 0.00 H new ATOM 0 HE1 TRP A1013 4.770 0.409 -2.862 1.00 0.00 H new ATOM 0 HE3 TRP A1013 4.770 0.437 2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.338 2.929 -1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.310 2.841 2.511 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.589 4.069 0.396 1.00 0.00 H new ATOM 837 N SER A1014 4.902 -3.912 3.480 1.00 0.00 N ATOM 838 CA SER A1014 4.653 -4.991 4.432 1.00 0.00 C ATOM 839 C SER A1014 3.187 -5.414 4.419 1.00 0.00 C ATOM 840 O SER A1014 2.614 -5.731 5.462 1.00 0.00 O ATOM 841 CB SER A1014 5.052 -4.550 5.842 1.00 0.00 C ATOM 842 OG SER A1014 6.417 -4.174 5.894 1.00 0.00 O ATOM 0 H SER A1014 4.911 -2.979 3.893 1.00 0.00 H new ATOM 0 HA SER A1014 5.258 -5.847 4.134 1.00 0.00 H new ATOM 0 HB2 SER A1014 4.429 -3.712 6.154 1.00 0.00 H new ATOM 0 HB3 SER A1014 4.869 -5.362 6.545 1.00 0.00 H new ATOM 0 HG SER A1014 6.645 -3.895 6.805 1.00 0.00 H new ATOM 848 N THR A1015 2.581 -5.419 3.234 1.00 0.00 N ATOM 849 CA THR A1015 1.181 -5.803 3.096 1.00 0.00 C ATOM 850 C THR A1015 0.961 -6.672 1.862 1.00 0.00 C ATOM 851 O THR A1015 1.360 -6.311 0.755 1.00 0.00 O ATOM 852 CB THR A1015 0.266 -4.568 3.008 1.00 0.00 C ATOM 853 OG1 THR A1015 0.702 -3.709 1.948 1.00 0.00 O ATOM 854 CG2 THR A1015 0.265 -3.801 4.322 1.00 0.00 C ATOM 0 H THR A1015 3.037 -5.162 2.359 1.00 0.00 H new ATOM 0 HA THR A1015 0.925 -6.376 3.987 1.00 0.00 H new ATOM 0 HB THR A1015 -0.749 -4.909 2.804 1.00 0.00 H new ATOM 0 HG1 THR A1015 1.030 -4.252 1.201 1.00 0.00 H new ATOM 0 HG21 THR A1015 -0.388 -2.933 4.236 1.00 0.00 H new ATOM 0 HG22 THR A1015 -0.096 -4.449 5.121 1.00 0.00 H new ATOM 0 HG23 THR A1015 1.278 -3.471 4.552 1.00 0.00 H new ATOM 862 N LYS A1016 0.306 -7.812 2.063 1.00 0.00 N ATOM 863 CA LYS A1016 -0.055 -8.699 0.961 1.00 0.00 C ATOM 864 C LYS A1016 -0.990 -7.990 -0.021 1.00 0.00 C ATOM 865 O LYS A1016 -1.542 -6.937 0.299 1.00 0.00 O ATOM 866 CB LYS A1016 -0.722 -9.971 1.499 1.00 0.00 C ATOM 867 CG LYS A1016 -2.120 -9.748 2.062 1.00 0.00 C ATOM 868 CD LYS A1016 -2.089 -9.000 3.386 1.00 0.00 C ATOM 869 CE LYS A1016 -1.400 -9.810 4.472 1.00 0.00 C ATOM 870 NZ LYS A1016 -2.092 -11.105 4.724 1.00 0.00 N ATOM 0 H LYS A1016 0.014 -8.144 2.982 1.00 0.00 H new ATOM 0 HA LYS A1016 0.857 -8.975 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -0.778 -10.707 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -0.091 -10.397 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -2.715 -9.186 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -2.613 -10.710 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -1.570 -8.050 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -3.108 -8.767 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -0.367 -10.001 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -1.370 -9.229 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -1.759 -11.508 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -3.118 -10.946 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -1.883 -11.767 3.950 1.00 0.00 H new ATOM 884 N PRO A1017 -1.180 -8.559 -1.232 1.00 0.00 N ATOM 885 CA PRO A1017 -2.081 -7.995 -2.241 1.00 0.00 C ATOM 886 C PRO A1017 -3.364 -7.426 -1.636 1.00 0.00 C ATOM 887 O PRO A1017 -3.972 -8.041 -0.759 1.00 0.00 O ATOM 888 CB PRO A1017 -2.389 -9.199 -3.123 1.00 0.00 C ATOM 889 CG PRO A1017 -1.144 -10.020 -3.076 1.00 0.00 C ATOM 890 CD PRO A1017 -0.538 -9.800 -1.711 1.00 0.00 C ATOM 0 HA PRO A1017 -1.634 -7.154 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -3.247 -9.757 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.626 -8.895 -4.142 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -1.368 -11.075 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -0.451 -9.719 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.741 -10.638 -1.044 1.00 0.00 H new ATOM 0 HD3 PRO A1017 0.545 -9.693 -1.767 1.00 0.00 H new ATOM 898 N PRO A1018 -3.772 -6.222 -2.077 1.00 0.00 N ATOM 899 CA PRO A1018 -4.879 -5.482 -1.458 1.00 0.00 C ATOM 900 C PRO A1018 -6.196 -6.248 -1.497 1.00 0.00 C ATOM 901 O PRO A1018 -6.515 -6.909 -2.485 1.00 0.00 O ATOM 902 CB PRO A1018 -4.985 -4.207 -2.299 1.00 0.00 C ATOM 903 CG PRO A1018 -3.657 -4.070 -2.961 1.00 0.00 C ATOM 904 CD PRO A1018 -3.168 -5.471 -3.192 1.00 0.00 C ATOM 0 HA PRO A1018 -4.689 -5.298 -0.401 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -5.786 -4.284 -3.034 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -5.207 -3.341 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -3.743 -3.526 -3.902 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -2.963 -3.512 -2.333 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -3.490 -5.856 -4.159 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.080 -5.527 -3.173 1.00 0.00 H new ATOM 912 N ILE A1019 -6.967 -6.130 -0.420 1.00 0.00 N ATOM 913 CA ILE A1019 -8.312 -6.690 -0.372 1.00 0.00 C ATOM 914 C ILE A1019 -9.287 -5.691 0.244 1.00 0.00 C ATOM 915 O ILE A1019 -8.874 -4.724 0.886 1.00 0.00 O ATOM 916 CB ILE A1019 -8.352 -8.000 0.443 1.00 0.00 C ATOM 917 CG1 ILE A1019 -7.153 -8.885 0.096 1.00 0.00 C ATOM 918 CG2 ILE A1019 -9.655 -8.745 0.186 1.00 0.00 C ATOM 919 CD1 ILE A1019 -7.055 -10.138 0.940 1.00 0.00 C ATOM 0 H ILE A1019 -6.681 -5.650 0.433 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.606 -6.907 -1.399 1.00 0.00 H new ATOM 0 HB ILE A1019 -8.299 -7.749 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -7.215 -9.169 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -6.238 -8.305 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -9.668 -9.667 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -10.497 -8.118 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.734 -8.984 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -6.181 -10.714 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -6.961 -9.863 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -7.953 -10.741 0.802 1.00 0.00 H new ATOM 931 N CYS A1020 -10.578 -5.928 0.047 1.00 0.00 N ATOM 932 CA CYS A1020 -11.610 -5.057 0.598 1.00 0.00 C ATOM 933 C CYS A1020 -12.853 -5.855 0.974 1.00 0.00 C ATOM 934 O CYS A1020 -13.318 -6.697 0.205 1.00 0.00 O ATOM 935 CB CYS A1020 -11.973 -3.959 -0.404 1.00 0.00 C ATOM 936 SG CYS A1020 -10.652 -2.731 -0.676 1.00 0.00 S ATOM 0 H CYS A1020 -10.936 -6.717 -0.491 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.213 -4.594 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -12.226 -4.422 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -12.867 -3.443 -0.053 1.00 0.00 H new ATOM 941 N GLN A1021 -13.377 -5.595 2.167 1.00 0.00 N ATOM 942 CA GLN A1021 -14.522 -6.338 2.680 1.00 0.00 C ATOM 943 C GLN A1021 -15.749 -5.438 2.792 1.00 0.00 C ATOM 944 O GLN A1021 -15.724 -4.421 3.485 1.00 0.00 O ATOM 945 CB GLN A1021 -14.193 -6.941 4.047 1.00 0.00 C ATOM 946 CG GLN A1021 -15.299 -7.821 4.606 1.00 0.00 C ATOM 947 CD GLN A1021 -14.952 -8.404 5.962 1.00 0.00 C ATOM 948 OE1 GLN A1021 -15.234 -7.804 6.999 1.00 0.00 O ATOM 949 NE2 GLN A1021 -14.335 -9.580 5.960 1.00 0.00 N ATOM 0 H GLN A1021 -13.026 -4.874 2.798 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.746 -7.142 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.279 -7.529 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -13.991 -6.134 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -16.215 -7.237 4.690 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -15.501 -8.632 3.907 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -14.121 -10.042 5.076 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -14.076 -10.021 6.842 1.00 0.00 H new ATOM 958 N ARG A1022 -16.821 -5.821 2.107 1.00 0.00 N ATOM 959 CA ARG A1022 -18.064 -5.058 2.140 1.00 0.00 C ATOM 960 C ARG A1022 -18.615 -4.979 3.561 1.00 0.00 C ATOM 961 O ARG A1022 -18.782 -5.999 4.229 1.00 0.00 O ATOM 962 CB ARG A1022 -19.101 -5.693 1.211 1.00 0.00 C ATOM 963 CG ARG A1022 -20.415 -4.929 1.155 1.00 0.00 C ATOM 964 CD ARG A1022 -21.419 -5.612 0.240 1.00 0.00 C ATOM 965 NE ARG A1022 -21.736 -6.965 0.689 1.00 0.00 N ATOM 966 CZ ARG A1022 -22.659 -7.734 0.118 1.00 0.00 C ATOM 967 NH1 ARG A1022 -23.351 -7.287 -0.921 1.00 0.00 N ATOM 968 NH2 ARG A1022 -22.890 -8.953 0.587 1.00 0.00 N ATOM 0 H ARG A1022 -16.854 -6.656 1.522 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.851 -4.046 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -18.685 -5.758 0.206 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -19.297 -6.713 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.833 -4.848 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -20.232 -3.914 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -22.333 -5.020 0.199 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -21.019 -5.651 -0.773 1.00 0.00 H new ATOM 0 HE ARG A1022 -21.221 -7.341 1.485 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -23.176 -6.350 -1.285 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -24.058 -7.880 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -22.360 -9.301 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -23.598 -9.542 0.149 1.00 0.00 H new ATOM 982 N ILE A1023 -18.895 -3.762 4.014 1.00 0.00 N ATOM 983 CA ILE A1023 -19.416 -3.548 5.359 1.00 0.00 C ATOM 984 C ILE A1023 -20.941 -3.632 5.376 1.00 0.00 C ATOM 985 O ILE A1023 -21.622 -2.780 4.805 1.00 0.00 O ATOM 986 CB ILE A1023 -18.981 -2.178 5.917 1.00 0.00 C ATOM 987 CG1 ILE A1023 -17.456 -2.046 5.869 1.00 0.00 C ATOM 988 CG2 ILE A1023 -19.491 -2.000 7.341 1.00 0.00 C ATOM 989 CD1 ILE A1023 -16.953 -0.679 6.284 1.00 0.00 C ATOM 0 H ILE A1023 -18.770 -2.909 3.470 1.00 0.00 H new ATOM 0 HA ILE A1023 -19.004 -4.336 5.989 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.415 -1.393 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -17.014 -2.800 6.520 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -17.113 -2.258 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -19.176 -1.028 7.721 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -20.580 -2.057 7.347 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -19.083 -2.787 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -15.865 -0.659 6.226 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -17.366 0.078 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -17.265 -0.472 7.307 1.00 0.00 H new ATOM 1001 N PRO A1024 -21.499 -4.666 6.035 1.00 0.00 N ATOM 1002 CA PRO A1024 -22.951 -4.853 6.123 1.00 0.00 C ATOM 1003 C PRO A1024 -23.621 -3.789 6.988 1.00 0.00 C ATOM 1004 O PRO A1024 -24.048 -2.757 6.429 1.00 0.00 O ATOM 1005 CB PRO A1024 -23.095 -6.235 6.764 1.00 0.00 C ATOM 1006 CG PRO A1024 -21.832 -6.430 7.529 1.00 0.00 C ATOM 1007 CD PRO A1024 -20.761 -5.729 6.742 1.00 0.00 C ATOM 1008 OXT PRO A1024 -23.713 -3.997 8.216 1.00 0.00 O ATOM 0 HA PRO A1024 -23.432 -4.770 5.148 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -23.965 -6.279 7.419 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -23.224 -7.010 6.009 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -21.915 -6.013 8.533 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -21.603 -7.490 7.642 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -19.988 -5.318 7.392 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -20.265 -6.406 6.046 1.00 0.00 H new TER 1016 PRO A1024