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: A1007 SER OG : rot 8:sc= 0.809 USER MOD Set 1.2: A1012 HIS : +bothHN:sc= -0.902 K(o=-0.093,f=-3.7) USER MOD Single : A 961 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ -167:sc= -0.0388 (180deg=-0.247) USER MOD Single : A 965 THR OG1 : rot 27:sc= 0.0415 USER MOD Single : A 971 ASN :FLIP amide:sc= -2! C(o=-3.9!,f=-2!) USER MOD Single : A 973 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 975 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 978 THR OG1 : rot 180:sc= 0 USER MOD Single : A 981 GLN :FLIP amide:sc= -0.0355 F(o=-1.3!,f=-0.036) USER MOD Single : A 984 SER OG : rot -84:sc= 1.24 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot 90:sc= -0.498 USER MOD Single : A 989 SER OG : rot 180: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 HD1:sc= -2.62! C(o=-2.6!,f=-4.1!) USER MOD Single : A 999 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1000 SER OG : rot -53:sc= 0.726 USER MOD Single : A1001 SER OG : rot -150:sc= 0.0136 USER MOD Single : A1009 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 SER OG : rot -25:sc= 0.609 USER MOD Single : A1015 THR OG1 : rot -159:sc= 1.06 USER MOD Single : A1016 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1021 GLN :FLIP amide:sc= -0.0607 F(o=-1.1,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 957 21.747 3.808 -5.718 1.00 0.00 N ATOM 2 CA GLU A 957 22.144 5.045 -6.439 1.00 0.00 C ATOM 3 C GLU A 957 21.241 5.285 -7.644 1.00 0.00 C ATOM 4 O GLU A 957 20.965 6.428 -8.007 1.00 0.00 O ATOM 5 CB GLU A 957 23.602 4.945 -6.894 1.00 0.00 C ATOM 6 CG GLU A 957 24.585 4.770 -5.748 1.00 0.00 C ATOM 7 CD GLU A 957 26.022 4.674 -6.223 1.00 0.00 C ATOM 8 OE1 GLU A 957 26.683 5.728 -6.332 1.00 0.00 O ATOM 9 OE2 GLU A 957 26.486 3.545 -6.486 1.00 0.00 O ATOM 0 HA GLU A 957 22.038 5.887 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 957 23.703 4.104 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 957 23.863 5.845 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 957 24.489 5.610 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 957 24.330 3.870 -5.189 1.00 0.00 H new ATOM 18 N ALA A 958 20.786 4.199 -8.262 1.00 0.00 N ATOM 19 CA ALA A 958 19.915 4.290 -9.427 1.00 0.00 C ATOM 20 C ALA A 958 19.054 3.040 -9.568 1.00 0.00 C ATOM 21 O ALA A 958 18.485 2.783 -10.629 1.00 0.00 O ATOM 22 CB ALA A 958 20.740 4.510 -10.688 1.00 0.00 C ATOM 0 H ALA A 958 21.007 3.246 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 958 19.251 5.143 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 958 20.076 4.576 -11.550 1.00 0.00 H new ATOM 0 HB2 ALA A 958 21.307 5.436 -10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 958 21.428 3.675 -10.823 1.00 0.00 H new ATOM 28 N GLU A 959 18.962 2.266 -8.491 1.00 0.00 N ATOM 29 CA GLU A 959 18.174 1.039 -8.496 1.00 0.00 C ATOM 30 C GLU A 959 17.355 0.913 -7.216 1.00 0.00 C ATOM 31 O GLU A 959 16.224 0.428 -7.236 1.00 0.00 O ATOM 32 CB GLU A 959 19.090 -0.178 -8.652 1.00 0.00 C ATOM 33 CG GLU A 959 18.341 -1.500 -8.713 1.00 0.00 C ATOM 34 CD GLU A 959 17.381 -1.574 -9.884 1.00 0.00 C ATOM 35 OE1 GLU A 959 17.804 -2.020 -10.971 1.00 0.00 O ATOM 36 OE2 GLU A 959 16.206 -1.185 -9.714 1.00 0.00 O ATOM 0 H GLU A 959 19.424 2.467 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 959 17.488 1.080 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 959 19.682 -0.063 -9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 959 19.790 -0.205 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 959 19.059 -2.317 -8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 959 17.788 -1.643 -7.785 1.00 0.00 H new ATOM 43 N ALA A 960 17.932 1.358 -6.104 1.00 0.00 N ATOM 44 CA ALA A 960 17.253 1.304 -4.816 1.00 0.00 C ATOM 45 C ALA A 960 16.295 2.479 -4.651 1.00 0.00 C ATOM 46 O ALA A 960 16.097 3.263 -5.581 1.00 0.00 O ATOM 47 CB ALA A 960 18.271 1.289 -3.684 1.00 0.00 C ATOM 0 H ALA A 960 18.869 1.760 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 960 16.669 0.384 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 960 17.751 1.249 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 960 18.914 0.415 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 960 18.878 2.193 -3.729 1.00 0.00 H new ATOM 53 N LYS A 961 15.704 2.592 -3.464 1.00 0.00 N ATOM 54 CA LYS A 961 14.779 3.683 -3.159 1.00 0.00 C ATOM 55 C LYS A 961 13.525 3.596 -4.026 1.00 0.00 C ATOM 56 O LYS A 961 13.523 2.944 -5.071 1.00 0.00 O ATOM 57 CB LYS A 961 15.468 5.037 -3.360 1.00 0.00 C ATOM 58 CG LYS A 961 14.626 6.224 -2.919 1.00 0.00 C ATOM 59 CD LYS A 961 15.349 7.543 -3.149 1.00 0.00 C ATOM 60 CE LYS A 961 15.566 7.812 -4.631 1.00 0.00 C ATOM 61 NZ LYS A 961 16.264 9.106 -4.863 1.00 0.00 N ATOM 0 H LYS A 961 15.849 1.939 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 961 14.479 3.590 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 961 16.406 5.043 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 961 15.720 5.153 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 961 13.684 6.225 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 961 14.380 6.123 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 961 14.770 8.357 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 961 16.311 7.525 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 961 16.150 7.001 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 961 14.604 7.821 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 16.393 9.253 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 15.694 9.883 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 17.193 9.088 -4.396 1.00 0.00 H new ATOM 75 N SER A 962 12.460 4.258 -3.581 1.00 0.00 N ATOM 76 CA SER A 962 11.200 4.277 -4.319 1.00 0.00 C ATOM 77 C SER A 962 10.632 2.870 -4.476 1.00 0.00 C ATOM 78 O SER A 962 10.929 2.174 -5.447 1.00 0.00 O ATOM 79 CB SER A 962 11.397 4.918 -5.695 1.00 0.00 C ATOM 80 OG SER A 962 10.182 4.946 -6.424 1.00 0.00 O ATOM 0 H SER A 962 12.445 4.790 -2.711 1.00 0.00 H new ATOM 0 HA SER A 962 10.487 4.872 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 962 11.777 5.933 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 962 12.148 4.361 -6.255 1.00 0.00 H new ATOM 0 HG SER A 962 10.335 5.362 -7.298 1.00 0.00 H new ATOM 86 N CYS A 963 9.806 2.462 -3.516 1.00 0.00 N ATOM 87 CA CYS A 963 9.141 1.166 -3.578 1.00 0.00 C ATOM 88 C CYS A 963 8.120 1.126 -4.709 1.00 0.00 C ATOM 89 O CYS A 963 7.439 2.117 -4.979 1.00 0.00 O ATOM 90 CB CYS A 963 8.454 0.858 -2.246 1.00 0.00 C ATOM 91 SG CYS A 963 9.597 0.356 -0.917 1.00 0.00 S ATOM 0 H CYS A 963 9.582 3.011 -2.686 1.00 0.00 H new ATOM 0 HA CYS A 963 9.900 0.409 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 963 7.902 1.740 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 963 7.723 0.064 -2.401 1.00 0.00 H new ATOM 96 N LYS A 964 8.015 -0.026 -5.364 1.00 0.00 N ATOM 97 CA LYS A 964 7.050 -0.210 -6.442 1.00 0.00 C ATOM 98 C LYS A 964 5.628 0.008 -5.938 1.00 0.00 C ATOM 99 O LYS A 964 5.121 -0.768 -5.127 1.00 0.00 O ATOM 100 CB LYS A 964 7.183 -1.612 -7.040 1.00 0.00 C ATOM 101 CG LYS A 964 8.563 -1.909 -7.603 1.00 0.00 C ATOM 102 CD LYS A 964 8.891 -1.013 -8.787 1.00 0.00 C ATOM 103 CE LYS A 964 10.269 -1.318 -9.353 1.00 0.00 C ATOM 104 NZ LYS A 964 11.341 -1.116 -8.340 1.00 0.00 N ATOM 0 H LYS A 964 8.587 -0.847 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 964 7.260 0.528 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 964 6.948 -2.349 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 964 6.444 -1.731 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 964 9.312 -1.771 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 964 8.613 -2.953 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 964 8.139 -1.147 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 964 8.847 0.031 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 964 10.295 -2.348 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 964 10.458 -0.677 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 12.268 -1.117 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 11.198 -0.205 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 11.307 -1.885 -7.641 1.00 0.00 H new ATOM 118 N THR A 965 4.993 1.074 -6.417 1.00 0.00 N ATOM 119 CA THR A 965 3.646 1.423 -5.981 1.00 0.00 C ATOM 120 C THR A 965 2.670 0.275 -6.231 1.00 0.00 C ATOM 121 O THR A 965 2.678 -0.332 -7.302 1.00 0.00 O ATOM 122 CB THR A 965 3.132 2.683 -6.701 1.00 0.00 C ATOM 123 OG1 THR A 965 3.019 2.433 -8.107 1.00 0.00 O ATOM 124 CG2 THR A 965 4.066 3.859 -6.465 1.00 0.00 C ATOM 0 H THR A 965 5.391 1.711 -7.107 1.00 0.00 H new ATOM 0 HA THR A 965 3.702 1.621 -4.911 1.00 0.00 H new ATOM 0 HB THR A 965 2.151 2.931 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 965 2.863 1.477 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 965 3.683 4.738 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 965 4.128 4.066 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 965 5.058 3.618 -6.846 1.00 0.00 H new ATOM 132 N PRO A 966 1.818 -0.038 -5.239 1.00 0.00 N ATOM 133 CA PRO A 966 0.847 -1.133 -5.348 1.00 0.00 C ATOM 134 C PRO A 966 -0.267 -0.820 -6.344 1.00 0.00 C ATOM 135 O PRO A 966 -0.622 0.340 -6.544 1.00 0.00 O ATOM 136 CB PRO A 966 0.278 -1.246 -3.931 1.00 0.00 C ATOM 137 CG PRO A 966 0.462 0.108 -3.341 1.00 0.00 C ATOM 138 CD PRO A 966 1.733 0.648 -3.935 1.00 0.00 C ATOM 0 HA PRO A 966 1.307 -2.052 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.774 -1.531 -3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 966 0.804 -2.005 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -0.384 0.754 -3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 966 0.531 0.054 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 966 1.694 1.731 -4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 966 2.596 0.427 -3.307 1.00 0.00 H new ATOM 146 N PRO A 967 -0.833 -1.861 -6.983 1.00 0.00 N ATOM 147 CA PRO A 967 -1.918 -1.696 -7.956 1.00 0.00 C ATOM 148 C PRO A 967 -3.163 -1.079 -7.329 1.00 0.00 C ATOM 149 O PRO A 967 -3.463 -1.318 -6.159 1.00 0.00 O ATOM 150 CB PRO A 967 -2.208 -3.126 -8.427 1.00 0.00 C ATOM 151 CG PRO A 967 -1.653 -4.006 -7.359 1.00 0.00 C ATOM 152 CD PRO A 967 -0.464 -3.276 -6.804 1.00 0.00 C ATOM 0 HA PRO A 967 -1.638 -1.021 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -3.278 -3.289 -8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -1.736 -3.328 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -2.394 -4.193 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -1.363 -4.976 -7.763 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -0.294 -3.520 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.451 -3.526 -7.342 1.00 0.00 H new ATOM 160 N ASP A 968 -3.877 -0.278 -8.113 1.00 0.00 N ATOM 161 CA ASP A 968 -5.063 0.417 -7.624 1.00 0.00 C ATOM 162 C ASP A 968 -6.080 -0.570 -7.051 1.00 0.00 C ATOM 163 O ASP A 968 -6.552 -1.463 -7.755 1.00 0.00 O ATOM 164 CB ASP A 968 -5.701 1.234 -8.749 1.00 0.00 C ATOM 165 CG ASP A 968 -6.069 0.383 -9.949 1.00 0.00 C ATOM 166 OD1 ASP A 968 -5.213 0.214 -10.842 1.00 0.00 O ATOM 167 OD2 ASP A 968 -7.215 -0.113 -9.996 1.00 0.00 O ATOM 0 H ASP A 968 -3.655 -0.094 -9.091 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.754 1.092 -6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.595 1.730 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -5.010 2.017 -9.061 1.00 0.00 H new ATOM 172 N PRO A 969 -6.427 -0.421 -5.760 1.00 0.00 N ATOM 173 CA PRO A 969 -7.382 -1.311 -5.092 1.00 0.00 C ATOM 174 C PRO A 969 -8.793 -1.169 -5.648 1.00 0.00 C ATOM 175 O PRO A 969 -9.236 -0.065 -5.969 1.00 0.00 O ATOM 176 CB PRO A 969 -7.339 -0.855 -3.630 1.00 0.00 C ATOM 177 CG PRO A 969 -6.858 0.554 -3.684 1.00 0.00 C ATOM 178 CD PRO A 969 -5.917 0.623 -4.852 1.00 0.00 C ATOM 0 HA PRO A 969 -7.122 -2.360 -5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -8.324 -0.919 -3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -6.668 -1.480 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -7.690 1.246 -3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -6.353 0.830 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -5.930 1.606 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -4.888 0.427 -4.552 1.00 0.00 H new ATOM 186 N VAL A 970 -9.502 -2.289 -5.745 1.00 0.00 N ATOM 187 CA VAL A 970 -10.894 -2.277 -6.175 1.00 0.00 C ATOM 188 C VAL A 970 -11.755 -1.479 -5.200 1.00 0.00 C ATOM 189 O VAL A 970 -11.660 -1.658 -3.984 1.00 0.00 O ATOM 190 CB VAL A 970 -11.456 -3.708 -6.301 1.00 0.00 C ATOM 191 CG1 VAL A 970 -11.465 -4.404 -4.948 1.00 0.00 C ATOM 192 CG2 VAL A 970 -12.850 -3.685 -6.908 1.00 0.00 C ATOM 0 H VAL A 970 -9.135 -3.216 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 970 -10.925 -1.802 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 970 -10.805 -4.274 -6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -11.865 -5.412 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -10.448 -4.458 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -12.089 -3.841 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -13.229 -4.704 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -13.514 -3.100 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -12.808 -3.234 -7.900 1.00 0.00 H new ATOM 202 N ASN A 971 -12.573 -0.579 -5.738 1.00 0.00 N ATOM 203 CA ASN A 971 -13.342 0.345 -4.912 1.00 0.00 C ATOM 204 C ASN A 971 -12.442 1.041 -3.897 1.00 0.00 C ATOM 205 O ASN A 971 -12.468 0.721 -2.708 1.00 0.00 O ATOM 206 CB ASN A 971 -14.470 -0.394 -4.188 1.00 0.00 C ATOM 207 CG ASN A 971 -15.476 -1.002 -5.146 1.00 0.00 C ATOM 208 OD1 ASN A 971 -15.263 -2.261 -5.507 1.00 0.00 O flip ATOM 209 ND2 ASN A 971 -16.435 -0.348 -5.554 1.00 0.00 N flip ATOM 0 H ASN A 971 -12.720 -0.470 -6.741 1.00 0.00 H new ATOM 0 HA ASN A 971 -13.777 1.100 -5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -14.044 -1.181 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -14.982 0.298 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -16.560 0.618 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -17.105 -0.771 -6.196 1.00 0.00 H new ATOM 216 N GLY A 972 -11.642 1.990 -4.373 1.00 0.00 N ATOM 217 CA GLY A 972 -10.755 2.724 -3.490 1.00 0.00 C ATOM 218 C GLY A 972 -9.515 3.231 -4.200 1.00 0.00 C ATOM 219 O GLY A 972 -9.403 3.123 -5.421 1.00 0.00 O ATOM 0 H GLY A 972 -11.592 2.264 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -11.294 3.568 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -10.458 2.080 -2.662 1.00 0.00 H new ATOM 223 N MET A 973 -8.585 3.788 -3.432 1.00 0.00 N ATOM 224 CA MET A 973 -7.353 4.331 -3.992 1.00 0.00 C ATOM 225 C MET A 973 -6.287 4.484 -2.912 1.00 0.00 C ATOM 226 O MET A 973 -6.575 4.928 -1.799 1.00 0.00 O ATOM 227 CB MET A 973 -7.622 5.683 -4.654 1.00 0.00 C ATOM 228 CG MET A 973 -8.239 6.708 -3.715 1.00 0.00 C ATOM 229 SD MET A 973 -8.522 8.300 -4.512 1.00 0.00 S ATOM 230 CE MET A 973 -9.247 9.228 -3.162 1.00 0.00 C ATOM 0 H MET A 973 -8.661 3.875 -2.419 1.00 0.00 H new ATOM 0 HA MET A 973 -6.986 3.633 -4.744 1.00 0.00 H new ATOM 0 HB2 MET A 973 -6.685 6.079 -5.046 1.00 0.00 H new ATOM 0 HB3 MET A 973 -8.287 5.536 -5.505 1.00 0.00 H new ATOM 0 HG2 MET A 973 -9.185 6.323 -3.335 1.00 0.00 H new ATOM 0 HG3 MET A 973 -7.584 6.848 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 973 -9.479 10.239 -3.498 1.00 0.00 H new ATOM 0 HE2 MET A 973 -10.162 8.736 -2.833 1.00 0.00 H new ATOM 0 HE3 MET A 973 -8.541 9.275 -2.332 1.00 0.00 H new ATOM 240 N VAL A 974 -5.054 4.116 -3.246 1.00 0.00 N ATOM 241 CA VAL A 974 -3.942 4.235 -2.311 1.00 0.00 C ATOM 242 C VAL A 974 -3.426 5.670 -2.253 1.00 0.00 C ATOM 243 O VAL A 974 -3.274 6.328 -3.284 1.00 0.00 O ATOM 244 CB VAL A 974 -2.783 3.292 -2.693 1.00 0.00 C ATOM 245 CG1 VAL A 974 -2.295 3.582 -4.104 1.00 0.00 C ATOM 246 CG2 VAL A 974 -1.644 3.407 -1.690 1.00 0.00 C ATOM 0 H VAL A 974 -4.800 3.733 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.319 3.950 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 974 -3.154 2.267 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -1.477 2.905 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -3.113 3.437 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -1.944 4.612 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -0.837 2.734 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -1.274 4.432 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.005 3.138 -0.697 1.00 0.00 H new ATOM 256 N HIS A 975 -3.175 6.155 -1.041 1.00 0.00 N ATOM 257 CA HIS A 975 -2.765 7.538 -0.842 1.00 0.00 C ATOM 258 C HIS A 975 -1.287 7.625 -0.482 1.00 0.00 C ATOM 259 O HIS A 975 -0.797 6.874 0.362 1.00 0.00 O ATOM 260 CB HIS A 975 -3.608 8.184 0.258 1.00 0.00 C ATOM 261 CG HIS A 975 -3.423 9.665 0.354 1.00 0.00 C ATOM 262 ND1 HIS A 975 -3.181 10.323 1.542 1.00 0.00 N ATOM 263 CD2 HIS A 975 -3.450 10.619 -0.603 1.00 0.00 C ATOM 264 CE1 HIS A 975 -3.069 11.619 1.310 1.00 0.00 C ATOM 265 NE2 HIS A 975 -3.227 11.824 0.016 1.00 0.00 N ATOM 0 H HIS A 975 -3.249 5.609 -0.182 1.00 0.00 H new ATOM 0 HA HIS A 975 -2.922 8.075 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -4.660 7.968 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -3.352 7.730 1.216 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -3.616 10.462 -1.659 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -2.880 12.380 2.052 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -3.190 12.731 -0.449 1.00 0.00 H new ATOM 274 N VAL A 976 -0.584 8.558 -1.115 1.00 0.00 N ATOM 275 CA VAL A 976 0.817 8.810 -0.799 1.00 0.00 C ATOM 276 C VAL A 976 0.951 9.967 0.185 1.00 0.00 C ATOM 277 O VAL A 976 1.059 11.127 -0.214 1.00 0.00 O ATOM 278 CB VAL A 976 1.630 9.129 -2.069 1.00 0.00 C ATOM 279 CG1 VAL A 976 3.107 9.275 -1.739 1.00 0.00 C ATOM 280 CG2 VAL A 976 1.415 8.055 -3.125 1.00 0.00 C ATOM 0 H VAL A 976 -0.963 9.153 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 976 1.213 7.901 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 976 1.278 10.079 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 976 3.663 9.500 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 976 3.241 10.085 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 976 3.477 8.345 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 976 1.997 8.297 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 976 1.736 7.090 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 976 0.358 8.007 -3.385 1.00 0.00 H new ATOM 290 N ILE A 977 0.928 9.643 1.475 1.00 0.00 N ATOM 291 CA ILE A 977 0.963 10.656 2.524 1.00 0.00 C ATOM 292 C ILE A 977 2.239 11.490 2.448 1.00 0.00 C ATOM 293 O ILE A 977 2.191 12.687 2.168 1.00 0.00 O ATOM 294 CB ILE A 977 0.865 10.012 3.919 1.00 0.00 C ATOM 295 CG1 ILE A 977 -0.375 9.118 4.001 1.00 0.00 C ATOM 296 CG2 ILE A 977 0.824 11.085 4.999 1.00 0.00 C ATOM 297 CD1 ILE A 977 -0.396 8.223 5.219 1.00 0.00 C ATOM 0 H ILE A 977 0.885 8.684 1.819 1.00 0.00 H new ATOM 0 HA ILE A 977 0.103 11.307 2.366 1.00 0.00 H new ATOM 0 HB ILE A 977 1.749 9.396 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -1.266 9.746 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -0.427 8.499 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 977 0.755 10.613 5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 977 1.732 11.686 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -0.044 11.725 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -1.303 7.618 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 977 0.476 7.569 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -0.376 8.835 6.121 1.00 0.00 H new ATOM 309 N THR A 978 3.376 10.851 2.703 1.00 0.00 N ATOM 310 CA THR A 978 4.660 11.542 2.687 1.00 0.00 C ATOM 311 C THR A 978 5.364 11.360 1.347 1.00 0.00 C ATOM 312 O THR A 978 5.518 12.312 0.581 1.00 0.00 O ATOM 313 CB THR A 978 5.583 11.039 3.813 1.00 0.00 C ATOM 314 OG1 THR A 978 4.934 11.188 5.082 1.00 0.00 O ATOM 315 CG2 THR A 978 6.898 11.804 3.820 1.00 0.00 C ATOM 0 H THR A 978 3.434 9.857 2.923 1.00 0.00 H new ATOM 0 HA THR A 978 4.452 12.600 2.845 1.00 0.00 H new ATOM 0 HB THR A 978 5.795 9.985 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 978 5.526 10.864 5.792 1.00 0.00 H new ATOM 0 HG21 THR A 978 7.532 11.430 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 978 7.404 11.666 2.865 1.00 0.00 H new ATOM 0 HG23 THR A 978 6.701 12.865 3.976 1.00 0.00 H new ATOM 323 N ASP A 979 5.789 10.131 1.071 1.00 0.00 N ATOM 324 CA ASP A 979 6.486 9.823 -0.172 1.00 0.00 C ATOM 325 C ASP A 979 6.541 8.315 -0.398 1.00 0.00 C ATOM 326 O ASP A 979 6.195 7.532 0.487 1.00 0.00 O ATOM 327 CB ASP A 979 7.903 10.401 -0.142 1.00 0.00 C ATOM 328 CG ASP A 979 8.589 10.335 -1.493 1.00 0.00 C ATOM 329 OD1 ASP A 979 8.434 11.288 -2.284 1.00 0.00 O ATOM 330 OD2 ASP A 979 9.283 9.330 -1.758 1.00 0.00 O ATOM 0 H ASP A 979 5.663 9.332 1.692 1.00 0.00 H new ATOM 0 HA ASP A 979 5.936 10.277 -0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 979 7.861 11.438 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 979 8.498 9.856 0.591 1.00 0.00 H new ATOM 335 N ILE A 980 6.973 7.915 -1.590 1.00 0.00 N ATOM 336 CA ILE A 980 7.047 6.502 -1.941 1.00 0.00 C ATOM 337 C ILE A 980 8.455 5.961 -1.708 1.00 0.00 C ATOM 338 O ILE A 980 8.880 4.998 -2.347 1.00 0.00 O ATOM 339 CB ILE A 980 6.643 6.268 -3.411 1.00 0.00 C ATOM 340 CG1 ILE A 980 5.433 7.132 -3.774 1.00 0.00 C ATOM 341 CG2 ILE A 980 6.335 4.795 -3.648 1.00 0.00 C ATOM 342 CD1 ILE A 980 5.029 7.035 -5.229 1.00 0.00 C ATOM 0 H ILE A 980 7.277 8.550 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 980 6.346 5.970 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 980 7.478 6.554 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 980 4.588 6.838 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 980 5.657 8.172 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 980 6.051 4.646 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 980 7.219 4.198 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 980 5.514 4.486 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 980 4.165 7.674 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 980 5.858 7.358 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 980 4.773 6.003 -5.467 1.00 0.00 H new ATOM 354 N GLN A 981 9.175 6.591 -0.786 1.00 0.00 N ATOM 355 CA GLN A 981 10.533 6.175 -0.458 1.00 0.00 C ATOM 356 C GLN A 981 10.560 5.400 0.855 1.00 0.00 C ATOM 357 O GLN A 981 9.524 5.194 1.488 1.00 0.00 O ATOM 358 CB GLN A 981 11.452 7.394 -0.366 1.00 0.00 C ATOM 359 CG GLN A 981 11.028 8.396 0.695 1.00 0.00 C ATOM 360 CD GLN A 981 11.862 9.664 0.671 1.00 0.00 C ATOM 361 OE1 GLN A 981 12.315 10.053 -0.516 1.00 0.00 O flip ATOM 362 NE2 GLN A 981 12.091 10.289 1.706 1.00 0.00 N flip ATOM 0 H GLN A 981 8.840 7.393 -0.252 1.00 0.00 H new ATOM 0 HA GLN A 981 10.890 5.520 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 981 12.467 7.058 -0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 981 11.479 7.893 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 981 9.979 8.653 0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 981 11.107 7.933 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 981 11.723 9.954 2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 981 12.649 11.142 1.674 1.00 0.00 H new ATOM 371 N VAL A 982 11.751 4.970 1.261 1.00 0.00 N ATOM 372 CA VAL A 982 11.909 4.206 2.493 1.00 0.00 C ATOM 373 C VAL A 982 11.804 5.110 3.716 1.00 0.00 C ATOM 374 O VAL A 982 12.289 6.241 3.709 1.00 0.00 O ATOM 375 CB VAL A 982 13.260 3.467 2.525 1.00 0.00 C ATOM 376 CG1 VAL A 982 13.368 2.594 3.766 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.440 2.640 1.264 1.00 0.00 C ATOM 0 H VAL A 982 12.620 5.138 0.755 1.00 0.00 H new ATOM 0 HA VAL A 982 11.103 3.472 2.518 1.00 0.00 H new ATOM 0 HB VAL A 982 14.058 4.208 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 982 14.330 2.082 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 982 13.287 3.217 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 982 12.565 1.857 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.399 2.124 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 982 12.636 1.907 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 982 13.414 3.295 0.393 1.00 0.00 H new ATOM 387 N GLY A 983 11.159 4.603 4.763 1.00 0.00 N ATOM 388 CA GLY A 983 10.966 5.390 5.966 1.00 0.00 C ATOM 389 C GLY A 983 9.593 6.028 6.024 1.00 0.00 C ATOM 390 O GLY A 983 9.221 6.627 7.033 1.00 0.00 O ATOM 0 H GLY A 983 10.767 3.662 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 983 11.105 4.753 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.728 6.168 6.014 1.00 0.00 H new ATOM 394 N SER A 984 8.837 5.898 4.937 1.00 0.00 N ATOM 395 CA SER A 984 7.495 6.467 4.867 1.00 0.00 C ATOM 396 C SER A 984 6.444 5.434 5.262 1.00 0.00 C ATOM 397 O SER A 984 6.750 4.251 5.418 1.00 0.00 O ATOM 398 CB SER A 984 7.209 6.988 3.459 1.00 0.00 C ATOM 399 OG SER A 984 7.211 5.932 2.514 1.00 0.00 O ATOM 0 H SER A 984 9.131 5.404 4.094 1.00 0.00 H new ATOM 0 HA SER A 984 7.445 7.298 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 984 6.243 7.492 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 984 7.959 7.729 3.183 1.00 0.00 H new ATOM 0 HG SER A 984 8.131 5.751 2.227 1.00 0.00 H new ATOM 405 N ARG A 985 5.206 5.889 5.420 1.00 0.00 N ATOM 406 CA ARG A 985 4.108 5.006 5.798 1.00 0.00 C ATOM 407 C ARG A 985 2.786 5.504 5.222 1.00 0.00 C ATOM 408 O ARG A 985 2.130 6.368 5.804 1.00 0.00 O ATOM 409 CB ARG A 985 4.010 4.908 7.322 1.00 0.00 C ATOM 410 CG ARG A 985 2.937 3.945 7.804 1.00 0.00 C ATOM 411 CD ARG A 985 2.878 3.892 9.322 1.00 0.00 C ATOM 412 NE ARG A 985 1.856 2.963 9.798 1.00 0.00 N ATOM 413 CZ ARG A 985 1.556 2.790 11.081 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.196 3.480 12.015 1.00 0.00 N ATOM 415 NH2 ARG A 985 0.613 1.926 11.432 1.00 0.00 N ATOM 0 H ARG A 985 4.937 6.865 5.292 1.00 0.00 H new ATOM 0 HA ARG A 985 4.311 4.017 5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 985 4.974 4.592 7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 985 3.806 5.899 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 985 1.968 4.252 7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.138 2.948 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 985 3.851 3.592 9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 985 2.672 4.889 9.712 1.00 0.00 H new ATOM 0 HE ARG A 985 1.344 2.416 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 985 2.921 4.146 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 985 1.963 3.345 12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 985 0.117 1.394 10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 985 0.383 1.794 12.417 1.00 0.00 H new ATOM 429 N ILE A 986 2.398 4.950 4.077 1.00 0.00 N ATOM 430 CA ILE A 986 1.145 5.325 3.431 1.00 0.00 C ATOM 431 C ILE A 986 -0.026 4.534 4.007 1.00 0.00 C ATOM 432 O ILE A 986 0.167 3.606 4.794 1.00 0.00 O ATOM 433 CB ILE A 986 1.207 5.098 1.908 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.428 3.615 1.598 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.311 5.947 1.294 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.422 3.295 0.118 1.00 0.00 C ATOM 0 H ILE A 986 2.934 4.240 3.578 1.00 0.00 H new ATOM 0 HA ILE A 986 0.993 6.387 3.624 1.00 0.00 H new ATOM 0 HB ILE A 986 0.256 5.400 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.381 3.302 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.651 3.030 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.344 5.777 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.111 7.001 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.269 5.672 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.584 2.227 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.460 3.576 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 986 2.217 3.852 -0.378 1.00 0.00 H new ATOM 448 N THR A 987 -1.239 4.909 3.614 1.00 0.00 N ATOM 449 CA THR A 987 -2.442 4.254 4.114 1.00 0.00 C ATOM 450 C THR A 987 -3.419 3.953 2.981 1.00 0.00 C ATOM 451 O THR A 987 -3.655 4.792 2.113 1.00 0.00 O ATOM 452 CB THR A 987 -3.154 5.117 5.172 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.518 6.383 4.608 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.262 5.335 6.384 1.00 0.00 C ATOM 0 H THR A 987 -1.415 5.663 2.950 1.00 0.00 H new ATOM 0 HA THR A 987 -2.122 3.318 4.573 1.00 0.00 H new ATOM 0 HB THR A 987 -4.053 4.590 5.493 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.972 6.925 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.787 5.947 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 987 -2.011 4.372 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.348 5.842 6.076 1.00 0.00 H new ATOM 462 N TYR A 988 -3.988 2.751 3.003 1.00 0.00 N ATOM 463 CA TYR A 988 -4.961 2.347 1.994 1.00 0.00 C ATOM 464 C TYR A 988 -6.378 2.705 2.432 1.00 0.00 C ATOM 465 O TYR A 988 -6.737 2.541 3.598 1.00 0.00 O ATOM 466 CB TYR A 988 -4.862 0.843 1.732 1.00 0.00 C ATOM 467 CG TYR A 988 -3.502 0.400 1.240 1.00 0.00 C ATOM 468 CD1 TYR A 988 -3.196 0.410 -0.115 1.00 0.00 C ATOM 469 CD2 TYR A 988 -2.525 -0.028 2.130 1.00 0.00 C ATOM 470 CE1 TYR A 988 -1.954 0.005 -0.568 1.00 0.00 C ATOM 471 CE2 TYR A 988 -1.281 -0.434 1.686 1.00 0.00 C ATOM 472 CZ TYR A 988 -1.001 -0.415 0.335 1.00 0.00 C ATOM 473 OH TYR A 988 0.236 -0.818 -0.112 1.00 0.00 O ATOM 0 H TYR A 988 -3.792 2.041 3.708 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.736 2.885 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -5.099 0.307 2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -5.615 0.561 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -3.940 0.739 -0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -2.742 -0.044 3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -1.732 0.018 -1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -0.533 -0.764 2.392 1.00 0.00 H new ATOM 0 HH TYR A 988 0.840 -0.047 -0.143 1.00 0.00 H new ATOM 483 N SER A 989 -7.177 3.196 1.491 1.00 0.00 N ATOM 484 CA SER A 989 -8.554 3.581 1.781 1.00 0.00 C ATOM 485 C SER A 989 -9.478 3.212 0.625 1.00 0.00 C ATOM 486 O SER A 989 -9.219 3.564 -0.526 1.00 0.00 O ATOM 487 CB SER A 989 -8.637 5.085 2.055 1.00 0.00 C ATOM 488 OG SER A 989 -7.838 5.446 3.168 1.00 0.00 O ATOM 0 H SER A 989 -6.895 3.337 0.521 1.00 0.00 H new ATOM 0 HA SER A 989 -8.878 3.037 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 989 -8.309 5.637 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 989 -9.673 5.367 2.241 1.00 0.00 H new ATOM 0 HG SER A 989 -7.907 6.412 3.321 1.00 0.00 H new ATOM 494 N CYS A 990 -10.554 2.499 0.939 1.00 0.00 N ATOM 495 CA CYS A 990 -11.511 2.071 -0.076 1.00 0.00 C ATOM 496 C CYS A 990 -12.405 3.231 -0.504 1.00 0.00 C ATOM 497 O CYS A 990 -12.222 4.363 -0.057 1.00 0.00 O ATOM 498 CB CYS A 990 -12.365 0.916 0.451 1.00 0.00 C ATOM 499 SG CYS A 990 -11.408 -0.556 0.939 1.00 0.00 S ATOM 0 H CYS A 990 -10.786 2.205 1.888 1.00 0.00 H new ATOM 0 HA CYS A 990 -10.951 1.729 -0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -12.938 1.265 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -13.084 0.630 -0.317 1.00 0.00 H new ATOM 504 N THR A 991 -13.365 2.946 -1.379 1.00 0.00 N ATOM 505 CA THR A 991 -14.236 3.984 -1.918 1.00 0.00 C ATOM 506 C THR A 991 -15.070 4.630 -0.818 1.00 0.00 C ATOM 507 O THR A 991 -15.386 5.819 -0.879 1.00 0.00 O ATOM 508 CB THR A 991 -15.177 3.426 -3.003 1.00 0.00 C ATOM 509 OG1 THR A 991 -16.047 4.461 -3.477 1.00 0.00 O ATOM 510 CG2 THR A 991 -16.004 2.269 -2.462 1.00 0.00 C ATOM 0 H THR A 991 -13.559 2.008 -1.729 1.00 0.00 H new ATOM 0 HA THR A 991 -13.587 4.736 -2.366 1.00 0.00 H new ATOM 0 HB THR A 991 -14.566 3.059 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 991 -16.641 4.099 -4.167 1.00 0.00 H new ATOM 0 HG21 THR A 991 -16.660 1.893 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 991 -15.340 1.471 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 991 -16.605 2.614 -1.621 1.00 0.00 H new ATOM 518 N THR A 992 -15.419 3.839 0.184 1.00 0.00 N ATOM 519 CA THR A 992 -16.238 4.315 1.291 1.00 0.00 C ATOM 520 C THR A 992 -15.668 3.860 2.630 1.00 0.00 C ATOM 521 O THR A 992 -15.480 4.666 3.543 1.00 0.00 O ATOM 522 CB THR A 992 -17.689 3.816 1.166 1.00 0.00 C ATOM 523 OG1 THR A 992 -18.259 4.268 -0.068 1.00 0.00 O ATOM 524 CG2 THR A 992 -18.537 4.307 2.330 1.00 0.00 C ATOM 0 H THR A 992 -15.147 2.859 0.255 1.00 0.00 H new ATOM 0 HA THR A 992 -16.230 5.404 1.248 1.00 0.00 H new ATOM 0 HB THR A 992 -17.675 2.726 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 992 -19.181 3.945 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 992 -19.557 3.940 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.120 3.936 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 992 -18.542 5.397 2.342 1.00 0.00 H new ATOM 532 N GLY A 993 -15.396 2.564 2.740 1.00 0.00 N ATOM 533 CA GLY A 993 -14.859 2.019 3.972 1.00 0.00 C ATOM 534 C GLY A 993 -15.006 0.512 4.050 1.00 0.00 C ATOM 535 O GLY A 993 -15.188 -0.045 5.132 1.00 0.00 O ATOM 0 H GLY A 993 -15.538 1.881 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -13.805 2.283 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -15.369 2.475 4.821 1.00 0.00 H new ATOM 539 N HIS A 994 -14.924 -0.146 2.897 1.00 0.00 N ATOM 540 CA HIS A 994 -15.038 -1.599 2.836 1.00 0.00 C ATOM 541 C HIS A 994 -13.960 -2.264 3.687 1.00 0.00 C ATOM 542 O HIS A 994 -12.837 -1.768 3.783 1.00 0.00 O ATOM 543 CB HIS A 994 -14.927 -2.080 1.387 1.00 0.00 C ATOM 544 CG HIS A 994 -15.948 -1.473 0.475 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.246 -1.216 0.862 1.00 0.00 N ATOM 546 CD2 HIS A 994 -15.855 -1.067 -0.814 1.00 0.00 C ATOM 547 CE1 HIS A 994 -17.908 -0.680 -0.149 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.086 -0.579 -1.177 1.00 0.00 N ATOM 0 H HIS A 994 -14.779 0.304 1.993 1.00 0.00 H new ATOM 0 HA HIS A 994 -16.014 -1.879 3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -13.931 -1.847 1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -15.030 -3.165 1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -14.976 -1.118 -1.440 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -18.944 -0.377 -0.136 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -17.326 -0.200 -2.093 1.00 0.00 H new ATOM 557 N ARG A 995 -14.313 -3.385 4.308 1.00 0.00 N ATOM 558 CA ARG A 995 -13.386 -4.105 5.173 1.00 0.00 C ATOM 559 C ARG A 995 -12.198 -4.629 4.372 1.00 0.00 C ATOM 560 O ARG A 995 -12.339 -5.550 3.567 1.00 0.00 O ATOM 561 CB ARG A 995 -14.101 -5.266 5.868 1.00 0.00 C ATOM 562 CG ARG A 995 -13.238 -5.994 6.887 1.00 0.00 C ATOM 563 CD ARG A 995 -12.895 -5.102 8.069 1.00 0.00 C ATOM 564 NE ARG A 995 -14.090 -4.650 8.778 1.00 0.00 N ATOM 565 CZ ARG A 995 -14.066 -3.797 9.798 1.00 0.00 C ATOM 566 NH1 ARG A 995 -12.912 -3.303 10.227 1.00 0.00 N ATOM 567 NH2 ARG A 995 -15.196 -3.437 10.392 1.00 0.00 N ATOM 0 H ARG A 995 -15.235 -3.814 4.228 1.00 0.00 H new ATOM 0 HA ARG A 995 -13.017 -3.412 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -14.993 -4.886 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -14.436 -5.978 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -13.762 -6.882 7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -12.320 -6.335 6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -12.248 -5.646 8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -12.332 -4.237 7.719 1.00 0.00 H new ATOM 0 HE ARG A 995 -14.995 -5.009 8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -12.040 -3.577 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -12.897 -2.649 11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -16.086 -3.815 10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -15.175 -2.783 11.174 1.00 0.00 H new ATOM 581 N LEU A 996 -11.032 -4.025 4.585 1.00 0.00 N ATOM 582 CA LEU A 996 -9.847 -4.363 3.808 1.00 0.00 C ATOM 583 C LEU A 996 -9.424 -5.806 4.060 1.00 0.00 C ATOM 584 O LEU A 996 -9.700 -6.369 5.118 1.00 0.00 O ATOM 585 CB LEU A 996 -8.691 -3.423 4.156 1.00 0.00 C ATOM 586 CG LEU A 996 -7.563 -3.381 3.123 1.00 0.00 C ATOM 587 CD1 LEU A 996 -8.052 -2.764 1.821 1.00 0.00 C ATOM 588 CD2 LEU A 996 -6.373 -2.607 3.665 1.00 0.00 C ATOM 0 H LEU A 996 -10.884 -3.301 5.288 1.00 0.00 H new ATOM 0 HA LEU A 996 -10.097 -4.249 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -9.087 -2.415 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -8.273 -3.724 5.117 1.00 0.00 H new ATOM 0 HG LEU A 996 -7.246 -4.404 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -7.236 -2.743 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -8.874 -3.359 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -8.398 -1.747 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -5.580 -2.587 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -6.678 -1.587 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -6.006 -3.091 4.570 1.00 0.00 H new ATOM 600 N ILE A 997 -8.721 -6.385 3.092 1.00 0.00 N ATOM 601 CA ILE A 997 -8.084 -7.680 3.284 1.00 0.00 C ATOM 602 C ILE A 997 -6.572 -7.529 3.363 1.00 0.00 C ATOM 603 O ILE A 997 -5.942 -6.995 2.451 1.00 0.00 O ATOM 604 CB ILE A 997 -8.438 -8.662 2.152 1.00 0.00 C ATOM 605 CG1 ILE A 997 -9.944 -8.922 2.131 1.00 0.00 C ATOM 606 CG2 ILE A 997 -7.669 -9.966 2.320 1.00 0.00 C ATOM 607 CD1 ILE A 997 -10.384 -9.849 1.020 1.00 0.00 C ATOM 0 H ILE A 997 -8.579 -5.977 2.168 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.460 -8.085 4.224 1.00 0.00 H new ATOM 0 HB ILE A 997 -8.151 -8.217 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -10.244 -9.348 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -10.467 -7.971 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -7.930 -10.649 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -6.598 -9.763 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -7.927 -10.420 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -11.464 -9.987 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -10.116 -9.415 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -9.890 -10.814 1.134 1.00 0.00 H new ATOM 619 N GLY A 998 -6.000 -7.982 4.470 1.00 0.00 N ATOM 620 CA GLY A 998 -4.590 -7.759 4.720 1.00 0.00 C ATOM 621 C GLY A 998 -4.350 -6.682 5.760 1.00 0.00 C ATOM 622 O GLY A 998 -4.641 -6.872 6.940 1.00 0.00 O ATOM 0 H GLY A 998 -6.488 -8.501 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.131 -8.690 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.099 -7.477 3.789 1.00 0.00 H new ATOM 626 N HIS A 999 -3.808 -5.550 5.320 1.00 0.00 N ATOM 627 CA HIS A 999 -3.463 -4.465 6.224 1.00 0.00 C ATOM 628 C HIS A 999 -3.772 -3.108 5.598 1.00 0.00 C ATOM 629 O HIS A 999 -3.340 -2.817 4.483 1.00 0.00 O ATOM 630 CB HIS A 999 -1.982 -4.543 6.581 1.00 0.00 C ATOM 631 CG HIS A 999 -1.723 -4.996 7.985 1.00 0.00 C ATOM 632 ND1 HIS A 999 -1.728 -4.141 9.066 1.00 0.00 N ATOM 633 CD2 HIS A 999 -1.449 -6.226 8.481 1.00 0.00 C ATOM 634 CE1 HIS A 999 -1.468 -4.824 10.167 1.00 0.00 C ATOM 635 NE2 HIS A 999 -1.296 -6.092 9.838 1.00 0.00 N ATOM 0 H HIS A 999 -3.599 -5.363 4.339 1.00 0.00 H new ATOM 0 HA HIS A 999 -4.064 -4.569 7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -1.487 -5.226 5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -1.531 -3.561 6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -1.366 -7.142 7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -1.407 -4.416 11.165 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -1.084 -6.849 10.488 1.00 0.00 H new ATOM 644 N SER A1000 -4.493 -2.267 6.338 1.00 0.00 N ATOM 645 CA SER A1000 -4.692 -0.874 5.944 1.00 0.00 C ATOM 646 C SER A1000 -3.442 -0.042 6.226 1.00 0.00 C ATOM 647 O SER A1000 -3.529 1.074 6.741 1.00 0.00 O ATOM 648 CB SER A1000 -5.895 -0.283 6.685 1.00 0.00 C ATOM 649 OG SER A1000 -6.143 1.051 6.273 1.00 0.00 O ATOM 0 H SER A1000 -4.949 -2.526 7.213 1.00 0.00 H new ATOM 0 HA SER A1000 -4.885 -0.848 4.872 1.00 0.00 H new ATOM 0 HB2 SER A1000 -6.778 -0.895 6.498 1.00 0.00 H new ATOM 0 HB3 SER A1000 -5.712 -0.307 7.759 1.00 0.00 H new ATOM 0 HG SER A1000 -5.322 1.579 6.363 1.00 0.00 H new ATOM 655 N SER A1001 -2.282 -0.591 5.879 1.00 0.00 N ATOM 656 CA SER A1001 -1.014 0.104 6.071 1.00 0.00 C ATOM 657 C SER A1001 0.105 -0.597 5.306 1.00 0.00 C ATOM 658 O SER A1001 -0.033 -1.756 4.913 1.00 0.00 O ATOM 659 CB SER A1001 -0.665 0.175 7.559 1.00 0.00 C ATOM 660 OG SER A1001 0.565 0.848 7.764 1.00 0.00 O ATOM 0 H SER A1001 -2.194 -1.518 5.462 1.00 0.00 H new ATOM 0 HA SER A1001 -1.119 1.118 5.684 1.00 0.00 H new ATOM 0 HB2 SER A1001 -1.460 0.691 8.098 1.00 0.00 H new ATOM 0 HB3 SER A1001 -0.604 -0.833 7.970 1.00 0.00 H new ATOM 0 HG SER A1001 1.001 0.496 8.568 1.00 0.00 H new ATOM 666 N ALA A1002 1.209 0.111 5.094 1.00 0.00 N ATOM 667 CA ALA A1002 2.340 -0.441 4.357 1.00 0.00 C ATOM 668 C ALA A1002 3.636 0.279 4.713 1.00 0.00 C ATOM 669 O ALA A1002 3.618 1.425 5.163 1.00 0.00 O ATOM 670 CB ALA A1002 2.082 -0.360 2.860 1.00 0.00 C ATOM 0 H ALA A1002 1.345 1.067 5.422 1.00 0.00 H new ATOM 0 HA ALA A1002 2.450 -1.488 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A1002 2.934 -0.775 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A1002 1.185 -0.928 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A1002 1.942 0.682 2.571 1.00 0.00 H new ATOM 676 N GLU A1003 4.760 -0.400 4.502 1.00 0.00 N ATOM 677 CA GLU A1003 6.069 0.182 4.774 1.00 0.00 C ATOM 678 C GLU A1003 7.039 -0.113 3.634 1.00 0.00 C ATOM 679 O GLU A1003 7.137 -1.248 3.167 1.00 0.00 O ATOM 680 CB GLU A1003 6.628 -0.360 6.091 1.00 0.00 C ATOM 681 CG GLU A1003 7.969 0.243 6.478 1.00 0.00 C ATOM 682 CD GLU A1003 8.494 -0.298 7.793 1.00 0.00 C ATOM 683 OE1 GLU A1003 9.217 -1.317 7.769 1.00 0.00 O ATOM 684 OE2 GLU A1003 8.184 0.297 8.845 1.00 0.00 O ATOM 0 H GLU A1003 4.790 -1.354 4.143 1.00 0.00 H new ATOM 0 HA GLU A1003 5.951 1.262 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.909 -0.167 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A1003 6.735 -1.442 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A1003 8.695 0.041 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.869 1.326 6.549 1.00 0.00 H new ATOM 691 N CYS A1004 7.746 0.919 3.184 1.00 0.00 N ATOM 692 CA CYS A1004 8.670 0.782 2.063 1.00 0.00 C ATOM 693 C CYS A1004 9.974 0.126 2.506 1.00 0.00 C ATOM 694 O CYS A1004 10.890 0.798 2.981 1.00 0.00 O ATOM 695 CB CYS A1004 8.957 2.152 1.445 1.00 0.00 C ATOM 696 SG CYS A1004 10.072 2.102 0.004 1.00 0.00 S ATOM 0 H CYS A1004 7.697 1.859 3.578 1.00 0.00 H new ATOM 0 HA CYS A1004 8.202 0.143 1.314 1.00 0.00 H new ATOM 0 HB2 CYS A1004 8.013 2.608 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A1004 9.394 2.797 2.207 1.00 0.00 H new ATOM 701 N ILE A1005 10.051 -1.192 2.345 1.00 0.00 N ATOM 702 CA ILE A1005 11.254 -1.937 2.700 1.00 0.00 C ATOM 703 C ILE A1005 11.785 -2.730 1.511 1.00 0.00 C ATOM 704 O ILE A1005 11.019 -3.351 0.773 1.00 0.00 O ATOM 705 CB ILE A1005 10.992 -2.903 3.871 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.815 -3.828 3.549 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.728 -2.121 5.149 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.569 -4.889 4.601 1.00 0.00 C ATOM 0 H ILE A1005 9.295 -1.765 1.971 1.00 0.00 H new ATOM 0 HA ILE A1005 12.000 -1.202 3.004 1.00 0.00 H new ATOM 0 HB ILE A1005 11.878 -3.519 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.913 -3.227 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A1005 9.998 -4.314 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A1005 10.544 -2.815 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A1005 11.595 -1.504 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.855 -1.483 5.011 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.721 -5.506 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A1005 10.456 -5.515 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A1005 9.353 -4.411 5.557 1.00 0.00 H new ATOM 720 N LEU A1006 13.101 -2.698 1.328 1.00 0.00 N ATOM 721 CA LEU A1006 13.735 -3.391 0.213 1.00 0.00 C ATOM 722 C LEU A1006 13.844 -4.887 0.492 1.00 0.00 C ATOM 723 O LEU A1006 14.074 -5.683 -0.419 1.00 0.00 O ATOM 724 CB LEU A1006 15.125 -2.811 -0.060 1.00 0.00 C ATOM 725 CG LEU A1006 15.150 -1.328 -0.441 1.00 0.00 C ATOM 726 CD1 LEU A1006 14.969 -0.452 0.789 1.00 0.00 C ATOM 727 CD2 LEU A1006 16.447 -0.985 -1.158 1.00 0.00 C ATOM 0 H LEU A1006 13.749 -2.199 1.938 1.00 0.00 H new ATOM 0 HA LEU A1006 13.111 -3.246 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A1006 15.741 -2.952 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A1006 15.589 -3.384 -0.863 1.00 0.00 H new ATOM 0 HG LEU A1006 14.319 -1.135 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A1006 14.990 0.597 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A1006 14.012 -0.678 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A1006 15.775 -0.647 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A1006 16.448 0.073 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A1006 17.292 -1.197 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A1006 16.531 -1.585 -2.064 1.00 0.00 H new ATOM 739 N SER A1007 13.671 -5.257 1.759 1.00 0.00 N ATOM 740 CA SER A1007 13.685 -6.659 2.173 1.00 0.00 C ATOM 741 C SER A1007 14.919 -7.385 1.644 1.00 0.00 C ATOM 742 O SER A1007 14.925 -8.610 1.525 1.00 0.00 O ATOM 743 CB SER A1007 12.415 -7.371 1.697 1.00 0.00 C ATOM 744 OG SER A1007 12.355 -7.425 0.282 1.00 0.00 O ATOM 0 H SER A1007 13.518 -4.599 2.523 1.00 0.00 H new ATOM 0 HA SER A1007 13.720 -6.680 3.262 1.00 0.00 H new ATOM 0 HB2 SER A1007 12.388 -8.382 2.103 1.00 0.00 H new ATOM 0 HB3 SER A1007 11.538 -6.850 2.081 1.00 0.00 H new ATOM 0 HG SER A1007 13.200 -7.101 -0.094 1.00 0.00 H new ATOM 750 N GLY A1008 15.963 -6.622 1.331 1.00 0.00 N ATOM 751 CA GLY A1008 17.183 -7.211 0.811 1.00 0.00 C ATOM 752 C GLY A1008 17.780 -6.402 -0.324 1.00 0.00 C ATOM 753 O GLY A1008 18.833 -5.785 -0.169 1.00 0.00 O ATOM 0 H GLY A1008 15.985 -5.607 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A1008 17.913 -7.296 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A1008 16.974 -8.222 0.462 1.00 0.00 H new ATOM 757 N ASN A1009 17.105 -6.407 -1.471 1.00 0.00 N ATOM 758 CA ASN A1009 17.582 -5.678 -2.640 1.00 0.00 C ATOM 759 C ASN A1009 16.430 -5.352 -3.586 1.00 0.00 C ATOM 760 O ASN A1009 16.648 -4.963 -4.733 1.00 0.00 O ATOM 761 CB ASN A1009 18.646 -6.493 -3.376 1.00 0.00 C ATOM 762 CG ASN A1009 18.121 -7.832 -3.857 1.00 0.00 C ATOM 763 OD1 ASN A1009 17.611 -7.948 -4.971 1.00 0.00 O ATOM 764 ND2 ASN A1009 18.244 -8.852 -3.016 1.00 0.00 N ATOM 0 H ASN A1009 16.228 -6.907 -1.614 1.00 0.00 H new ATOM 0 HA ASN A1009 18.023 -4.742 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A1009 19.011 -5.922 -4.229 1.00 0.00 H new ATOM 0 HB3 ASN A1009 19.497 -6.656 -2.714 1.00 0.00 H new ATOM 0 HD21 ASN A1009 17.909 -9.777 -3.284 1.00 0.00 H new ATOM 0 HD22 ASN A1009 18.674 -8.710 -2.102 1.00 0.00 H new ATOM 771 N THR A1010 15.204 -5.511 -3.096 1.00 0.00 N ATOM 772 CA THR A1010 14.019 -5.224 -3.896 1.00 0.00 C ATOM 773 C THR A1010 13.037 -4.340 -3.132 1.00 0.00 C ATOM 774 O THR A1010 12.365 -4.794 -2.206 1.00 0.00 O ATOM 775 CB THR A1010 13.307 -6.519 -4.332 1.00 0.00 C ATOM 776 OG1 THR A1010 12.046 -6.207 -4.936 1.00 0.00 O ATOM 777 CG2 THR A1010 13.094 -7.450 -3.147 1.00 0.00 C ATOM 0 H THR A1010 15.006 -5.837 -2.150 1.00 0.00 H new ATOM 0 HA THR A1010 14.359 -4.693 -4.785 1.00 0.00 H new ATOM 0 HB THR A1010 13.941 -7.026 -5.059 1.00 0.00 H new ATOM 0 HG1 THR A1010 11.601 -7.036 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A1010 12.590 -8.356 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A1010 14.059 -7.711 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A1010 12.481 -6.950 -2.397 1.00 0.00 H new ATOM 785 N ALA A1011 12.967 -3.071 -3.518 1.00 0.00 N ATOM 786 CA ALA A1011 12.115 -2.108 -2.829 1.00 0.00 C ATOM 787 C ALA A1011 10.640 -2.408 -3.067 1.00 0.00 C ATOM 788 O ALA A1011 10.144 -2.285 -4.188 1.00 0.00 O ATOM 789 CB ALA A1011 12.448 -0.694 -3.279 1.00 0.00 C ATOM 0 H ALA A1011 13.490 -2.685 -4.304 1.00 0.00 H new ATOM 0 HA ALA A1011 12.306 -2.192 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.805 0.015 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.491 -0.475 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.287 -0.607 -4.354 1.00 0.00 H new ATOM 795 N HIS A1012 9.942 -2.788 -2.003 1.00 0.00 N ATOM 796 CA HIS A1012 8.505 -3.034 -2.075 1.00 0.00 C ATOM 797 C HIS A1012 7.837 -2.716 -0.742 1.00 0.00 C ATOM 798 O HIS A1012 8.503 -2.332 0.220 1.00 0.00 O ATOM 799 CB HIS A1012 8.232 -4.491 -2.462 1.00 0.00 C ATOM 800 CG HIS A1012 8.594 -5.478 -1.396 1.00 0.00 C ATOM 801 ND1 HIS A1012 7.664 -6.044 -0.549 1.00 0.00 N ATOM 802 CD2 HIS A1012 9.791 -6.001 -1.041 1.00 0.00 C ATOM 803 CE1 HIS A1012 8.274 -6.873 0.280 1.00 0.00 C ATOM 804 NE2 HIS A1012 9.564 -6.865 0.002 1.00 0.00 N ATOM 0 H HIS A1012 10.348 -2.933 -1.078 1.00 0.00 H new ATOM 0 HA HIS A1012 8.086 -2.380 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A1012 7.174 -4.601 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A1012 8.791 -4.727 -3.368 1.00 0.00 H new ATOM 0 HD1 HIS A1012 6.662 -5.853 -0.561 1.00 0.00 H new ATOM 0 HD2 HIS A1012 10.746 -5.780 -1.494 1.00 0.00 H new ATOM 0 HE1 HIS A1012 7.798 -7.457 1.053 1.00 0.00 H new ATOM 0 HE2 HIS A1012 10.277 -7.412 0.484 1.00 0.00 H new ATOM 813 N TRP A1013 6.520 -2.879 -0.690 1.00 0.00 N ATOM 814 CA TRP A1013 5.766 -2.618 0.529 1.00 0.00 C ATOM 815 C TRP A1013 5.558 -3.903 1.326 1.00 0.00 C ATOM 816 O TRP A1013 5.356 -4.973 0.754 1.00 0.00 O ATOM 817 CB TRP A1013 4.416 -1.983 0.192 1.00 0.00 C ATOM 818 CG TRP A1013 4.542 -0.692 -0.558 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.524 -0.527 -1.913 1.00 0.00 C ATOM 820 CD2 TRP A1013 4.710 0.614 0.005 1.00 0.00 C ATOM 821 NE1 TRP A1013 4.669 0.803 -2.227 1.00 0.00 N ATOM 822 CE2 TRP A1013 4.783 1.523 -1.068 1.00 0.00 C ATOM 823 CE3 TRP A1013 4.802 1.105 1.310 1.00 0.00 C ATOM 824 CZ2 TRP A1013 4.946 2.893 -0.875 1.00 0.00 C ATOM 825 CZ3 TRP A1013 4.963 2.464 1.501 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.033 3.345 0.414 1.00 0.00 C ATOM 0 H TRP A1013 5.953 -3.191 -1.478 1.00 0.00 H new ATOM 0 HA TRP A1013 6.341 -1.924 1.142 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.830 -2.685 -0.401 1.00 0.00 H new ATOM 0 HB3 TRP A1013 3.864 -1.807 1.115 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.412 -1.325 -2.633 1.00 0.00 H new ATOM 0 HE1 TRP A1013 4.689 1.191 -3.170 1.00 0.00 H new ATOM 0 HE3 TRP A1013 4.748 0.434 2.155 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.002 3.573 -1.712 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.036 2.854 2.506 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.158 4.402 0.597 1.00 0.00 H new ATOM 837 N SER A1014 5.637 -3.789 2.649 1.00 0.00 N ATOM 838 CA SER A1014 5.616 -4.957 3.524 1.00 0.00 C ATOM 839 C SER A1014 4.249 -5.637 3.510 1.00 0.00 C ATOM 840 O SER A1014 4.060 -6.682 4.134 1.00 0.00 O ATOM 841 CB SER A1014 5.981 -4.552 4.953 1.00 0.00 C ATOM 842 OG SER A1014 5.979 -5.674 5.819 1.00 0.00 O ATOM 0 H SER A1014 5.716 -2.898 3.139 1.00 0.00 H new ATOM 0 HA SER A1014 6.353 -5.668 3.150 1.00 0.00 H new ATOM 0 HB2 SER A1014 6.966 -4.084 4.961 1.00 0.00 H new ATOM 0 HB3 SER A1014 5.272 -3.808 5.316 1.00 0.00 H new ATOM 0 HG SER A1014 5.389 -6.367 5.455 1.00 0.00 H new ATOM 848 N THR A1015 3.297 -5.038 2.801 1.00 0.00 N ATOM 849 CA THR A1015 1.945 -5.580 2.728 1.00 0.00 C ATOM 850 C THR A1015 1.492 -5.744 1.281 1.00 0.00 C ATOM 851 O THR A1015 1.483 -4.785 0.509 1.00 0.00 O ATOM 852 CB THR A1015 0.939 -4.680 3.470 1.00 0.00 C ATOM 853 OG1 THR A1015 0.918 -3.375 2.880 1.00 0.00 O ATOM 854 CG2 THR A1015 1.297 -4.570 4.944 1.00 0.00 C ATOM 0 H THR A1015 3.437 -4.179 2.270 1.00 0.00 H new ATOM 0 HA THR A1015 1.972 -6.558 3.209 1.00 0.00 H new ATOM 0 HB THR A1015 -0.049 -5.131 3.385 1.00 0.00 H new ATOM 0 HG1 THR A1015 0.558 -2.730 3.525 1.00 0.00 H new ATOM 0 HG21 THR A1015 0.573 -3.930 5.448 1.00 0.00 H new ATOM 0 HG22 THR A1015 1.282 -5.561 5.397 1.00 0.00 H new ATOM 0 HG23 THR A1015 2.294 -4.140 5.045 1.00 0.00 H new ATOM 862 N LYS A1016 1.112 -6.968 0.923 1.00 0.00 N ATOM 863 CA LYS A1016 0.631 -7.260 -0.423 1.00 0.00 C ATOM 864 C LYS A1016 -0.599 -6.416 -0.757 1.00 0.00 C ATOM 865 O LYS A1016 -1.334 -6.000 0.139 1.00 0.00 O ATOM 866 CB LYS A1016 0.294 -8.749 -0.560 1.00 0.00 C ATOM 867 CG LYS A1016 -0.913 -9.189 0.257 1.00 0.00 C ATOM 868 CD LYS A1016 -0.590 -9.286 1.741 1.00 0.00 C ATOM 869 CE LYS A1016 0.432 -10.377 2.022 1.00 0.00 C ATOM 870 NZ LYS A1016 0.746 -10.485 3.472 1.00 0.00 N ATOM 0 H LYS A1016 1.128 -7.774 1.548 1.00 0.00 H new ATOM 0 HA LYS A1016 1.425 -7.009 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A1016 0.110 -8.974 -1.611 1.00 0.00 H new ATOM 0 HB3 LYS A1016 1.160 -9.336 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -1.729 -8.482 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -1.261 -10.157 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -0.207 -8.328 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -1.503 -9.490 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A1016 0.051 -11.332 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A1016 1.347 -10.169 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 1.446 -11.240 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 1.134 -9.582 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -0.122 -10.709 3.999 1.00 0.00 H new ATOM 884 N PRO A1017 -0.836 -6.154 -2.057 1.00 0.00 N ATOM 885 CA PRO A1017 -1.986 -5.363 -2.510 1.00 0.00 C ATOM 886 C PRO A1017 -3.300 -5.842 -1.896 1.00 0.00 C ATOM 887 O PRO A1017 -3.804 -6.910 -2.246 1.00 0.00 O ATOM 888 CB PRO A1017 -1.992 -5.583 -4.023 1.00 0.00 C ATOM 889 CG PRO A1017 -0.571 -5.867 -4.365 1.00 0.00 C ATOM 890 CD PRO A1017 0.000 -6.609 -3.187 1.00 0.00 C ATOM 0 HA PRO A1017 -1.901 -4.316 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -2.641 -6.414 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -2.359 -4.702 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -0.501 -6.465 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -0.022 -4.943 -4.548 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -0.062 -7.689 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A1017 1.052 -6.368 -3.031 1.00 0.00 H new ATOM 898 N PRO A1018 -3.866 -5.058 -0.961 1.00 0.00 N ATOM 899 CA PRO A1018 -5.091 -5.436 -0.249 1.00 0.00 C ATOM 900 C PRO A1018 -6.339 -5.277 -1.111 1.00 0.00 C ATOM 901 O PRO A1018 -6.298 -4.658 -2.175 1.00 0.00 O ATOM 902 CB PRO A1018 -5.124 -4.459 0.924 1.00 0.00 C ATOM 903 CG PRO A1018 -4.416 -3.248 0.424 1.00 0.00 C ATOM 904 CD PRO A1018 -3.351 -3.748 -0.516 1.00 0.00 C ATOM 0 HA PRO A1018 -5.086 -6.485 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -6.148 -4.227 1.218 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -4.627 -4.875 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -5.105 -2.577 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -3.977 -2.685 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -3.206 -3.068 -1.356 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -2.388 -3.845 -0.015 1.00 0.00 H new ATOM 912 N ILE A1019 -7.451 -5.840 -0.642 1.00 0.00 N ATOM 913 CA ILE A1019 -8.716 -5.757 -1.363 1.00 0.00 C ATOM 914 C ILE A1019 -9.809 -5.168 -0.475 1.00 0.00 C ATOM 915 O ILE A1019 -9.673 -5.126 0.746 1.00 0.00 O ATOM 916 CB ILE A1019 -9.170 -7.144 -1.862 1.00 0.00 C ATOM 917 CG1 ILE A1019 -7.984 -7.923 -2.441 1.00 0.00 C ATOM 918 CG2 ILE A1019 -10.274 -7.003 -2.901 1.00 0.00 C ATOM 919 CD1 ILE A1019 -7.345 -7.261 -3.644 1.00 0.00 C ATOM 0 H ILE A1019 -7.500 -6.359 0.235 1.00 0.00 H new ATOM 0 HA ILE A1019 -8.553 -5.106 -2.222 1.00 0.00 H new ATOM 0 HB ILE A1019 -9.566 -7.701 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -7.230 -8.048 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -8.320 -8.921 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -10.582 -7.992 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -11.128 -6.490 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.904 -6.426 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -6.514 -7.872 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -8.084 -7.160 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -6.977 -6.274 -3.363 1.00 0.00 H new ATOM 931 N CYS A1020 -10.890 -4.710 -1.097 1.00 0.00 N ATOM 932 CA CYS A1020 -11.987 -4.084 -0.364 1.00 0.00 C ATOM 933 C CYS A1020 -13.223 -4.976 -0.362 1.00 0.00 C ATOM 934 O CYS A1020 -13.762 -5.311 -1.417 1.00 0.00 O ATOM 935 CB CYS A1020 -12.329 -2.723 -0.976 1.00 0.00 C ATOM 936 SG CYS A1020 -11.003 -1.482 -0.823 1.00 0.00 S ATOM 0 H CYS A1020 -11.031 -4.760 -2.106 1.00 0.00 H new ATOM 0 HA CYS A1020 -11.663 -3.941 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -12.563 -2.860 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -13.229 -2.338 -0.497 1.00 0.00 H new ATOM 941 N GLN A1021 -13.672 -5.352 0.832 1.00 0.00 N ATOM 942 CA GLN A1021 -14.873 -6.167 0.978 1.00 0.00 C ATOM 943 C GLN A1021 -16.023 -5.339 1.543 1.00 0.00 C ATOM 944 O GLN A1021 -16.002 -4.946 2.709 1.00 0.00 O ATOM 945 CB GLN A1021 -14.594 -7.365 1.889 1.00 0.00 C ATOM 946 CG GLN A1021 -15.790 -8.287 2.068 1.00 0.00 C ATOM 947 CD GLN A1021 -16.266 -8.895 0.763 1.00 0.00 C ATOM 948 OE1 GLN A1021 -15.339 -9.111 -0.165 1.00 0.00 O flip ATOM 949 NE2 GLN A1021 -17.453 -9.171 0.591 1.00 0.00 N flip ATOM 0 H GLN A1021 -13.221 -5.105 1.713 1.00 0.00 H new ATOM 0 HA GLN A1021 -15.160 -6.530 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.763 -7.938 1.477 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -14.277 -7.001 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -15.526 -9.086 2.761 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -16.608 -7.729 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -18.131 -8.988 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -17.758 -9.582 -0.291 1.00 0.00 H new ATOM 958 N ARG A1022 -17.021 -5.074 0.706 1.00 0.00 N ATOM 959 CA ARG A1022 -18.161 -4.256 1.107 1.00 0.00 C ATOM 960 C ARG A1022 -18.854 -4.848 2.330 1.00 0.00 C ATOM 961 O ARG A1022 -19.128 -6.048 2.382 1.00 0.00 O ATOM 962 CB ARG A1022 -19.157 -4.131 -0.048 1.00 0.00 C ATOM 963 CG ARG A1022 -20.360 -3.259 0.278 1.00 0.00 C ATOM 964 CD ARG A1022 -21.276 -3.102 -0.925 1.00 0.00 C ATOM 965 NE ARG A1022 -20.599 -2.464 -2.050 1.00 0.00 N ATOM 966 CZ ARG A1022 -21.228 -2.011 -3.130 1.00 0.00 C ATOM 967 NH1 ARG A1022 -22.546 -2.125 -3.233 1.00 0.00 N ATOM 968 NH2 ARG A1022 -20.539 -1.444 -4.110 1.00 0.00 N ATOM 0 H ARG A1022 -17.064 -5.414 -0.255 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.790 -3.265 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -18.644 -3.718 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -19.505 -5.126 -0.327 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -20.916 -3.699 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -20.020 -2.277 0.609 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -21.643 -4.082 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -22.146 -2.510 -0.643 1.00 0.00 H new ATOM 0 HE ARG A1022 -19.585 -2.360 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -23.080 -2.562 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -23.025 -1.776 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -19.526 -1.355 -4.036 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -21.022 -1.097 -4.938 1.00 0.00 H new ATOM 982 N ILE A1023 -19.129 -3.998 3.314 1.00 0.00 N ATOM 983 CA ILE A1023 -19.766 -4.437 4.551 1.00 0.00 C ATOM 984 C ILE A1023 -21.273 -4.606 4.362 1.00 0.00 C ATOM 985 O ILE A1023 -21.950 -3.691 3.894 1.00 0.00 O ATOM 986 CB ILE A1023 -19.508 -3.439 5.696 1.00 0.00 C ATOM 987 CG1 ILE A1023 -18.005 -3.209 5.869 1.00 0.00 C ATOM 988 CG2 ILE A1023 -20.126 -3.947 6.991 1.00 0.00 C ATOM 989 CD1 ILE A1023 -17.666 -2.123 6.869 1.00 0.00 C ATOM 0 H ILE A1023 -18.921 -3.000 3.279 1.00 0.00 H new ATOM 0 HA ILE A1023 -19.327 -5.400 4.813 1.00 0.00 H new ATOM 0 HB ILE A1023 -19.976 -2.487 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -17.538 -4.141 6.186 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -17.573 -2.949 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -19.935 -3.231 7.791 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -21.201 -4.065 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -19.684 -4.909 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -16.583 -2.017 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -18.103 -1.179 6.543 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -18.068 -2.390 7.846 1.00 0.00 H new ATOM 1001 N PRO A1024 -21.817 -5.782 4.727 1.00 0.00 N ATOM 1002 CA PRO A1024 -23.252 -6.064 4.599 1.00 0.00 C ATOM 1003 C PRO A1024 -24.110 -5.042 5.338 1.00 0.00 C ATOM 1004 O PRO A1024 -24.544 -4.061 4.699 1.00 0.00 O ATOM 1005 CB PRO A1024 -23.407 -7.450 5.232 1.00 0.00 C ATOM 1006 CG PRO A1024 -22.051 -8.062 5.150 1.00 0.00 C ATOM 1007 CD PRO A1024 -21.078 -6.927 5.290 1.00 0.00 C ATOM 1008 OXT PRO A1024 -24.342 -5.232 6.552 1.00 0.00 O ATOM 0 HA PRO A1024 -23.583 -6.019 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -23.746 -7.377 6.265 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -24.144 -8.049 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -21.907 -8.800 5.940 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -21.913 -8.580 4.201 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -20.804 -6.757 6.331 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -20.154 -7.118 4.744 1.00 0.00 H new TER 1016 PRO A1024