USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 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 39 TYR OH : rot 6:sc= -1.09 USER MOD Set 1.2: A 49 ASN : amide:sc= -8.37! C(o=-9.5!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 3:sc= 0.836 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.0032) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0889 (180deg=-0.638) USER MOD Single : A 35 CYS SG : rot 133:sc= -0.119 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.73) USER MOD Single : A 48 ASN : amide:sc=-0.00437 X(o=-0.0044,f=-0.14) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.335 USER MOD Single : A 61 GLN : amide:sc= -2.78! C(o=-2.8!,f=-6.5!) USER MOD Single : A 65 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.280 2.509 10.185 1.00 0.00 N ATOM 2 CA GLY A 1 -25.769 3.261 11.319 1.00 0.00 C ATOM 3 C GLY A 1 -24.458 3.965 10.964 1.00 0.00 C ATOM 4 O GLY A 1 -24.468 5.086 10.458 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.170 2.041 10.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.454 3.156 9.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.583 1.791 9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.508 3.998 11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.609 2.590 12.163 1.00 0.00 H new ATOM 8 N SER A 2 -23.360 3.278 11.243 1.00 0.00 N ATOM 9 CA SER A 2 -22.043 3.823 10.960 1.00 0.00 C ATOM 10 C SER A 2 -21.598 3.412 9.555 1.00 0.00 C ATOM 11 O SER A 2 -21.709 2.246 9.181 1.00 0.00 O ATOM 12 CB SER A 2 -21.020 3.359 11.998 1.00 0.00 C ATOM 13 OG SER A 2 -19.853 4.178 12.001 1.00 0.00 O ATOM 0 H SER A 2 -23.355 2.348 11.662 1.00 0.00 H new ATOM 0 HA SER A 2 -22.104 4.910 11.012 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.476 3.374 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.738 2.326 11.792 1.00 0.00 H new ATOM 0 HG SER A 2 -19.225 3.850 12.678 1.00 0.00 H new ATOM 19 N SER A 3 -21.103 4.393 8.815 1.00 0.00 N ATOM 20 CA SER A 3 -20.640 4.148 7.459 1.00 0.00 C ATOM 21 C SER A 3 -19.409 5.007 7.163 1.00 0.00 C ATOM 22 O SER A 3 -19.517 6.224 7.019 1.00 0.00 O ATOM 23 CB SER A 3 -21.745 4.434 6.440 1.00 0.00 C ATOM 24 OG SER A 3 -22.853 3.551 6.592 1.00 0.00 O ATOM 0 H SER A 3 -21.012 5.359 9.128 1.00 0.00 H new ATOM 0 HA SER A 3 -20.369 3.096 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.084 5.464 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.342 4.339 5.432 1.00 0.00 H new ATOM 0 HG SER A 3 -23.537 3.767 5.925 1.00 0.00 H new ATOM 30 N GLY A 4 -18.267 4.340 7.081 1.00 0.00 N ATOM 31 CA GLY A 4 -17.017 5.028 6.805 1.00 0.00 C ATOM 32 C GLY A 4 -16.388 5.561 8.094 1.00 0.00 C ATOM 33 O GLY A 4 -17.050 6.240 8.877 1.00 0.00 O ATOM 0 H GLY A 4 -18.181 3.331 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.324 4.346 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.196 5.853 6.116 1.00 0.00 H new ATOM 37 N SER A 5 -15.117 5.232 8.274 1.00 0.00 N ATOM 38 CA SER A 5 -14.391 5.669 9.454 1.00 0.00 C ATOM 39 C SER A 5 -13.548 6.902 9.123 1.00 0.00 C ATOM 40 O SER A 5 -12.919 6.963 8.068 1.00 0.00 O ATOM 41 CB SER A 5 -13.503 4.549 10.000 1.00 0.00 C ATOM 42 OG SER A 5 -14.205 3.706 10.910 1.00 0.00 O ATOM 0 H SER A 5 -14.572 4.668 7.622 1.00 0.00 H new ATOM 0 HA SER A 5 -15.116 5.929 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.123 3.951 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.639 4.984 10.502 1.00 0.00 H new ATOM 0 HG SER A 5 -13.604 3.003 11.235 1.00 0.00 H new ATOM 48 N SER A 6 -13.563 7.854 10.045 1.00 0.00 N ATOM 49 CA SER A 6 -12.807 9.082 9.864 1.00 0.00 C ATOM 50 C SER A 6 -11.310 8.772 9.814 1.00 0.00 C ATOM 51 O SER A 6 -10.733 8.315 10.799 1.00 0.00 O ATOM 52 CB SER A 6 -13.105 10.082 10.983 1.00 0.00 C ATOM 53 OG SER A 6 -12.447 9.734 12.198 1.00 0.00 O ATOM 0 H SER A 6 -14.086 7.800 10.919 1.00 0.00 H new ATOM 0 HA SER A 6 -13.110 9.534 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.790 11.078 10.672 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.181 10.126 11.153 1.00 0.00 H new ATOM 0 HG SER A 6 -11.897 8.936 12.055 1.00 0.00 H new ATOM 59 N GLY A 7 -10.722 9.034 8.655 1.00 0.00 N ATOM 60 CA GLY A 7 -9.303 8.789 8.464 1.00 0.00 C ATOM 61 C GLY A 7 -8.869 9.162 7.045 1.00 0.00 C ATOM 62 O GLY A 7 -9.236 10.220 6.537 1.00 0.00 O ATOM 0 H GLY A 7 -11.203 9.413 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.730 9.368 9.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.083 7.738 8.651 1.00 0.00 H new ATOM 66 N MET A 8 -8.093 8.271 6.444 1.00 0.00 N ATOM 67 CA MET A 8 -7.605 8.493 5.094 1.00 0.00 C ATOM 68 C MET A 8 -8.746 8.898 4.158 1.00 0.00 C ATOM 69 O MET A 8 -9.848 8.359 4.248 1.00 0.00 O ATOM 70 CB MET A 8 -6.946 7.214 4.572 1.00 0.00 C ATOM 71 CG MET A 8 -7.880 6.013 4.730 1.00 0.00 C ATOM 72 SD MET A 8 -7.272 4.932 6.014 1.00 0.00 S ATOM 73 CE MET A 8 -8.815 4.448 6.769 1.00 0.00 C ATOM 0 H MET A 8 -7.790 7.394 6.868 1.00 0.00 H new ATOM 0 HA MET A 8 -6.876 9.303 5.120 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.683 7.339 3.522 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.018 7.031 5.114 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.886 6.354 4.976 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.949 5.469 3.788 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.617 3.767 7.597 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.331 5.333 7.143 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.441 3.948 6.030 1.00 0.00 H new ATOM 83 N CYS A 9 -8.442 9.845 3.282 1.00 0.00 N ATOM 84 CA CYS A 9 -9.428 10.328 2.331 1.00 0.00 C ATOM 85 C CYS A 9 -8.706 11.166 1.274 1.00 0.00 C ATOM 86 O CYS A 9 -8.940 10.999 0.078 1.00 0.00 O ATOM 87 CB CYS A 9 -10.541 11.118 3.022 1.00 0.00 C ATOM 88 SG CYS A 9 -12.153 10.743 2.242 1.00 0.00 S ATOM 0 H CYS A 9 -7.527 10.290 3.211 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.918 9.481 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -10.573 10.865 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.335 12.186 2.955 1.00 0.00 H new ATOM 0 HG CYS A 9 -13.091 11.417 2.838 1.00 0.00 H new ATOM 94 N GLY A 10 -7.843 12.049 1.754 1.00 0.00 N ATOM 95 CA GLY A 10 -7.085 12.914 0.865 1.00 0.00 C ATOM 96 C GLY A 10 -5.606 12.943 1.258 1.00 0.00 C ATOM 97 O GLY A 10 -4.801 12.186 0.718 1.00 0.00 O ATOM 0 H GLY A 10 -7.652 12.184 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.185 12.563 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.494 13.924 0.898 1.00 0.00 H new ATOM 101 N VAL A 11 -5.294 13.825 2.196 1.00 0.00 N ATOM 102 CA VAL A 11 -3.927 13.963 2.668 1.00 0.00 C ATOM 103 C VAL A 11 -3.554 12.736 3.502 1.00 0.00 C ATOM 104 O VAL A 11 -2.564 12.064 3.216 1.00 0.00 O ATOM 105 CB VAL A 11 -3.768 15.278 3.434 1.00 0.00 C ATOM 106 CG1 VAL A 11 -2.565 15.221 4.378 1.00 0.00 C ATOM 107 CG2 VAL A 11 -3.654 16.463 2.473 1.00 0.00 C ATOM 0 H VAL A 11 -5.965 14.451 2.642 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.235 14.007 1.827 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.663 15.422 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.475 16.168 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.704 14.413 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.658 15.041 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.542 17.385 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.785 16.327 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.554 16.523 1.861 1.00 0.00 H new ATOM 117 N GLU A 12 -4.365 12.482 4.519 1.00 0.00 N ATOM 118 CA GLU A 12 -4.132 11.348 5.396 1.00 0.00 C ATOM 119 C GLU A 12 -3.715 10.122 4.581 1.00 0.00 C ATOM 120 O GLU A 12 -2.610 9.608 4.747 1.00 0.00 O ATOM 121 CB GLU A 12 -5.370 11.047 6.244 1.00 0.00 C ATOM 122 CG GLU A 12 -5.415 11.941 7.485 1.00 0.00 C ATOM 123 CD GLU A 12 -5.430 11.102 8.764 1.00 0.00 C ATOM 124 OE1 GLU A 12 -4.322 10.775 9.241 1.00 0.00 O ATOM 125 OE2 GLU A 12 -6.549 10.807 9.237 1.00 0.00 O ATOM 0 H GLU A 12 -5.184 13.042 4.755 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.319 11.601 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.270 11.201 5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.363 10.000 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.550 12.605 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.302 12.573 7.450 1.00 0.00 H new ATOM 132 N LEU A 13 -4.622 9.689 3.717 1.00 0.00 N ATOM 133 CA LEU A 13 -4.362 8.534 2.876 1.00 0.00 C ATOM 134 C LEU A 13 -2.918 8.588 2.374 1.00 0.00 C ATOM 135 O LEU A 13 -2.132 7.677 2.633 1.00 0.00 O ATOM 136 CB LEU A 13 -5.399 8.443 1.754 1.00 0.00 C ATOM 137 CG LEU A 13 -5.572 7.066 1.110 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.959 6.926 0.481 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.455 6.788 0.103 1.00 0.00 C ATOM 0 H LEU A 13 -5.538 10.118 3.582 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.466 7.614 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.363 8.760 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.125 9.155 0.975 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.495 6.311 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.056 5.938 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.721 7.050 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.089 7.689 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.602 5.803 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.475 7.545 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.491 6.817 0.611 1.00 0.00 H new ATOM 151 N ASP A 14 -2.611 9.665 1.666 1.00 0.00 N ATOM 152 CA ASP A 14 -1.274 9.850 1.127 1.00 0.00 C ATOM 153 C ASP A 14 -0.242 9.444 2.181 1.00 0.00 C ATOM 154 O ASP A 14 0.708 8.723 1.879 1.00 0.00 O ATOM 155 CB ASP A 14 -1.025 11.314 0.761 1.00 0.00 C ATOM 156 CG ASP A 14 0.095 11.546 -0.254 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.180 10.735 -1.201 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.842 12.530 -0.061 1.00 0.00 O ATOM 0 H ASP A 14 -3.265 10.418 1.453 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.184 9.234 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.948 11.735 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.790 11.865 1.671 1.00 0.00 H new ATOM 163 N SER A 15 -0.464 9.923 3.396 1.00 0.00 N ATOM 164 CA SER A 15 0.434 9.619 4.496 1.00 0.00 C ATOM 165 C SER A 15 0.775 8.128 4.496 1.00 0.00 C ATOM 166 O SER A 15 1.935 7.752 4.332 1.00 0.00 O ATOM 167 CB SER A 15 -0.181 10.023 5.838 1.00 0.00 C ATOM 168 OG SER A 15 0.797 10.531 6.742 1.00 0.00 O ATOM 0 H SER A 15 -1.253 10.520 3.643 1.00 0.00 H new ATOM 0 HA SER A 15 1.349 10.195 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.949 10.779 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.675 9.160 6.285 1.00 0.00 H new ATOM 0 HG SER A 15 0.365 10.779 7.586 1.00 0.00 H new ATOM 174 N LEU A 16 -0.256 7.317 4.682 1.00 0.00 N ATOM 175 CA LEU A 16 -0.081 5.875 4.706 1.00 0.00 C ATOM 176 C LEU A 16 0.869 5.463 3.580 1.00 0.00 C ATOM 177 O LEU A 16 1.908 4.854 3.830 1.00 0.00 O ATOM 178 CB LEU A 16 -1.437 5.169 4.657 1.00 0.00 C ATOM 179 CG LEU A 16 -2.406 5.498 5.794 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.816 4.995 5.476 1.00 0.00 C ATOM 181 CD2 LEU A 16 -1.891 4.954 7.128 1.00 0.00 C ATOM 0 H LEU A 16 -1.217 7.632 4.818 1.00 0.00 H new ATOM 0 HA LEU A 16 0.380 5.562 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.920 5.417 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.264 4.093 4.654 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.465 6.582 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.485 5.242 6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.175 5.470 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.794 3.914 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.598 5.202 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.784 3.871 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.923 5.401 7.354 1.00 0.00 H new ATOM 193 N ILE A 17 0.478 5.811 2.362 1.00 0.00 N ATOM 194 CA ILE A 17 1.282 5.485 1.197 1.00 0.00 C ATOM 195 C ILE A 17 2.739 5.867 1.464 1.00 0.00 C ATOM 196 O ILE A 17 3.605 4.999 1.557 1.00 0.00 O ATOM 197 CB ILE A 17 0.695 6.136 -0.058 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.707 5.598 -0.350 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.634 5.967 -1.254 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.400 6.431 -1.430 1.00 0.00 C ATOM 0 H ILE A 17 -0.385 6.315 2.158 1.00 0.00 H new ATOM 0 HA ILE A 17 1.264 4.411 1.010 1.00 0.00 H new ATOM 0 HB ILE A 17 0.598 7.206 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.642 4.559 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.303 5.611 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.193 6.438 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.593 6.436 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.786 4.906 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.395 6.027 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.485 7.464 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.814 6.396 -2.348 1.00 0.00 H new ATOM 212 N SER A 18 2.965 7.168 1.579 1.00 0.00 N ATOM 213 CA SER A 18 4.302 7.676 1.833 1.00 0.00 C ATOM 214 C SER A 18 4.955 6.884 2.968 1.00 0.00 C ATOM 215 O SER A 18 6.078 6.403 2.828 1.00 0.00 O ATOM 216 CB SER A 18 4.269 9.166 2.176 1.00 0.00 C ATOM 217 OG SER A 18 4.024 9.973 1.027 1.00 0.00 O ATOM 0 H SER A 18 2.244 7.885 1.501 1.00 0.00 H new ATOM 0 HA SER A 18 4.893 7.553 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.494 9.350 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.218 9.455 2.627 1.00 0.00 H new ATOM 0 HG SER A 18 4.009 10.918 1.288 1.00 0.00 H new ATOM 223 N GLN A 19 4.223 6.775 4.068 1.00 0.00 N ATOM 224 CA GLN A 19 4.718 6.051 5.226 1.00 0.00 C ATOM 225 C GLN A 19 5.307 4.705 4.799 1.00 0.00 C ATOM 226 O GLN A 19 6.402 4.340 5.224 1.00 0.00 O ATOM 227 CB GLN A 19 3.611 5.859 6.266 1.00 0.00 C ATOM 228 CG GLN A 19 3.286 7.178 6.970 1.00 0.00 C ATOM 229 CD GLN A 19 3.390 7.029 8.489 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.434 6.718 9.038 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.252 7.267 9.135 1.00 0.00 N ATOM 0 H GLN A 19 3.292 7.176 4.181 1.00 0.00 H new ATOM 0 HA GLN A 19 5.509 6.641 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.715 5.471 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.923 5.117 7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.971 7.954 6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.280 7.500 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.414 7.523 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.218 7.193 10.152 1.00 0.00 H new ATOM 240 N VAL A 20 4.555 4.004 3.964 1.00 0.00 N ATOM 241 CA VAL A 20 4.990 2.707 3.474 1.00 0.00 C ATOM 242 C VAL A 20 6.098 2.903 2.437 1.00 0.00 C ATOM 243 O VAL A 20 7.179 2.330 2.563 1.00 0.00 O ATOM 244 CB VAL A 20 3.793 1.925 2.930 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.243 0.615 2.281 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.761 1.666 4.029 1.00 0.00 C ATOM 0 H VAL A 20 3.647 4.309 3.614 1.00 0.00 H new ATOM 0 HA VAL A 20 5.408 2.112 4.286 1.00 0.00 H new ATOM 0 HB VAL A 20 3.317 2.534 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.373 0.079 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.922 0.832 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.755 -0.000 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.921 1.109 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.220 1.088 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.405 2.617 4.426 1.00 0.00 H new ATOM 256 N LYS A 21 5.790 3.714 1.436 1.00 0.00 N ATOM 257 CA LYS A 21 6.746 3.993 0.378 1.00 0.00 C ATOM 258 C LYS A 21 8.111 4.301 0.997 1.00 0.00 C ATOM 259 O LYS A 21 9.123 3.733 0.592 1.00 0.00 O ATOM 260 CB LYS A 21 6.223 5.100 -0.539 1.00 0.00 C ATOM 261 CG LYS A 21 6.950 5.086 -1.886 1.00 0.00 C ATOM 262 CD LYS A 21 6.148 5.838 -2.950 1.00 0.00 C ATOM 263 CE LYS A 21 7.003 6.915 -3.621 1.00 0.00 C ATOM 264 NZ LYS A 21 6.697 6.992 -5.067 1.00 0.00 N ATOM 0 H LYS A 21 4.892 4.187 1.335 1.00 0.00 H new ATOM 0 HA LYS A 21 6.875 3.118 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.153 4.970 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.358 6.069 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.934 5.542 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.110 4.056 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.785 5.136 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.271 6.297 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.816 7.881 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.060 6.690 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.484 7.456 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.566 6.032 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.826 7.542 -5.209 1.00 0.00 H new ATOM 278 N ASP A 22 8.094 5.200 1.970 1.00 0.00 N ATOM 279 CA ASP A 22 9.317 5.591 2.650 1.00 0.00 C ATOM 280 C ASP A 22 10.133 4.340 2.981 1.00 0.00 C ATOM 281 O ASP A 22 11.361 4.392 3.036 1.00 0.00 O ATOM 282 CB ASP A 22 9.011 6.318 3.961 1.00 0.00 C ATOM 283 CG ASP A 22 8.945 7.842 3.855 1.00 0.00 C ATOM 284 OD1 ASP A 22 8.575 8.320 2.761 1.00 0.00 O ATOM 285 OD2 ASP A 22 9.265 8.496 4.871 1.00 0.00 O ATOM 0 H ASP A 22 7.252 5.669 2.304 1.00 0.00 H new ATOM 0 HA ASP A 22 9.871 6.258 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.059 5.954 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.774 6.052 4.693 1.00 0.00 H new ATOM 290 N LEU A 23 9.418 3.246 3.195 1.00 0.00 N ATOM 291 CA LEU A 23 10.060 1.983 3.520 1.00 0.00 C ATOM 292 C LEU A 23 10.298 1.191 2.233 1.00 0.00 C ATOM 293 O LEU A 23 11.292 0.475 2.115 1.00 0.00 O ATOM 294 CB LEU A 23 9.246 1.223 4.569 1.00 0.00 C ATOM 295 CG LEU A 23 9.263 1.806 5.983 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.439 0.944 6.942 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.698 2.002 6.478 1.00 0.00 C ATOM 0 H LEU A 23 8.400 3.207 3.150 1.00 0.00 H new ATOM 0 HA LEU A 23 11.036 2.157 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.211 1.173 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.616 0.199 4.615 1.00 0.00 H new ATOM 0 HG LEU A 23 8.795 2.790 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.468 1.381 7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.407 0.899 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.855 -0.063 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.682 2.418 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.213 1.041 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.222 2.687 5.812 1.00 0.00 H new ATOM 309 N LEU A 24 9.370 1.346 1.300 1.00 0.00 N ATOM 310 CA LEU A 24 9.466 0.653 0.026 1.00 0.00 C ATOM 311 C LEU A 24 9.277 1.659 -1.111 1.00 0.00 C ATOM 312 O LEU A 24 8.254 1.643 -1.794 1.00 0.00 O ATOM 313 CB LEU A 24 8.487 -0.521 -0.021 1.00 0.00 C ATOM 314 CG LEU A 24 8.734 -1.642 0.990 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.644 -2.711 0.902 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.134 -2.236 0.819 1.00 0.00 C ATOM 0 H LEU A 24 8.548 1.941 1.401 1.00 0.00 H new ATOM 0 HA LEU A 24 10.457 0.215 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.480 -0.135 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.513 -0.950 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 24 8.685 -1.215 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.844 -3.496 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.674 -2.260 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.636 -3.140 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.284 -3.031 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.236 -2.644 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.881 -1.457 0.972 1.00 0.00 H new ATOM 328 N PRO A 25 10.305 2.532 -1.284 1.00 0.00 N ATOM 329 CA PRO A 25 10.261 3.542 -2.327 1.00 0.00 C ATOM 330 C PRO A 25 10.511 2.922 -3.703 1.00 0.00 C ATOM 331 O PRO A 25 10.121 3.487 -4.723 1.00 0.00 O ATOM 332 CB PRO A 25 11.320 4.560 -1.934 1.00 0.00 C ATOM 333 CG PRO A 25 12.231 3.852 -0.945 1.00 0.00 C ATOM 334 CD PRO A 25 11.532 2.580 -0.495 1.00 0.00 C ATOM 0 HA PRO A 25 9.283 4.016 -2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.879 4.899 -2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.866 5.443 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.189 3.617 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.440 4.495 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.153 1.702 -0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.315 2.604 0.573 1.00 0.00 H new ATOM 342 N ASP A 26 11.160 1.766 -3.687 1.00 0.00 N ATOM 343 CA ASP A 26 11.466 1.062 -4.920 1.00 0.00 C ATOM 344 C ASP A 26 10.172 0.823 -5.701 1.00 0.00 C ATOM 345 O ASP A 26 10.111 1.081 -6.902 1.00 0.00 O ATOM 346 CB ASP A 26 12.104 -0.298 -4.634 1.00 0.00 C ATOM 347 CG ASP A 26 13.280 -0.664 -5.541 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.046 0.264 -5.880 1.00 0.00 O ATOM 349 OD2 ASP A 26 13.388 -1.864 -5.874 1.00 0.00 O ATOM 0 H ASP A 26 11.482 1.300 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 26 12.163 1.674 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.445 -0.312 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.339 -1.068 -4.728 1.00 0.00 H new ATOM 354 N LEU A 27 9.170 0.333 -4.987 1.00 0.00 N ATOM 355 CA LEU A 27 7.881 0.056 -5.598 1.00 0.00 C ATOM 356 C LEU A 27 7.200 1.377 -5.963 1.00 0.00 C ATOM 357 O LEU A 27 7.580 2.434 -5.462 1.00 0.00 O ATOM 358 CB LEU A 27 7.037 -0.839 -4.687 1.00 0.00 C ATOM 359 CG LEU A 27 7.568 -2.256 -4.462 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.875 -2.918 -3.269 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.445 -3.096 -5.735 1.00 0.00 C ATOM 0 H LEU A 27 9.224 0.120 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 27 8.011 -0.503 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.941 -0.350 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.034 -0.911 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 27 8.629 -2.189 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.271 -3.924 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.058 -2.330 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.802 -2.972 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.829 -4.099 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.398 -3.158 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.020 -2.630 -6.535 1.00 0.00 H new ATOM 373 N GLY A 28 6.206 1.273 -6.833 1.00 0.00 N ATOM 374 CA GLY A 28 5.469 2.446 -7.271 1.00 0.00 C ATOM 375 C GLY A 28 4.198 2.636 -6.441 1.00 0.00 C ATOM 376 O GLY A 28 3.514 1.667 -6.115 1.00 0.00 O ATOM 0 H GLY A 28 5.894 0.394 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.100 3.330 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.208 2.344 -8.324 1.00 0.00 H new ATOM 380 N GLU A 29 3.919 3.892 -6.124 1.00 0.00 N ATOM 381 CA GLU A 29 2.742 4.222 -5.339 1.00 0.00 C ATOM 382 C GLU A 29 1.529 3.438 -5.845 1.00 0.00 C ATOM 383 O GLU A 29 0.822 2.807 -5.061 1.00 0.00 O ATOM 384 CB GLU A 29 2.470 5.727 -5.363 1.00 0.00 C ATOM 385 CG GLU A 29 3.178 6.431 -4.204 1.00 0.00 C ATOM 386 CD GLU A 29 2.767 7.902 -4.122 1.00 0.00 C ATOM 387 OE1 GLU A 29 2.629 8.514 -5.204 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.599 8.382 -2.980 1.00 0.00 O ATOM 0 H GLU A 29 4.488 4.693 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 29 2.929 3.937 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.810 6.146 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.397 5.907 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.936 5.929 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.258 6.358 -4.335 1.00 0.00 H new ATOM 395 N GLY A 30 1.326 3.503 -7.153 1.00 0.00 N ATOM 396 CA GLY A 30 0.212 2.807 -7.773 1.00 0.00 C ATOM 397 C GLY A 30 0.003 1.431 -7.138 1.00 0.00 C ATOM 398 O GLY A 30 -1.127 1.043 -6.846 1.00 0.00 O ATOM 0 H GLY A 30 1.915 4.027 -7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.696 3.401 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.398 2.694 -8.841 1.00 0.00 H new ATOM 402 N PHE A 31 1.110 0.731 -6.942 1.00 0.00 N ATOM 403 CA PHE A 31 1.063 -0.594 -6.347 1.00 0.00 C ATOM 404 C PHE A 31 0.909 -0.507 -4.828 1.00 0.00 C ATOM 405 O PHE A 31 0.286 -1.372 -4.213 1.00 0.00 O ATOM 406 CB PHE A 31 2.391 -1.279 -6.675 1.00 0.00 C ATOM 407 CG PHE A 31 2.627 -2.579 -5.903 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.077 -3.742 -6.345 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.388 -2.572 -4.776 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.297 -4.948 -5.629 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.608 -3.779 -4.060 1.00 0.00 C ATOM 412 CZ PHE A 31 3.057 -4.941 -4.502 1.00 0.00 C ATOM 0 H PHE A 31 2.046 1.056 -7.185 1.00 0.00 H new ATOM 0 HA PHE A 31 0.211 -1.149 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.424 -1.492 -7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.207 -0.588 -6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.473 -3.748 -7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.825 -1.649 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.860 -5.871 -5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.213 -3.774 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.223 -5.859 -3.957 1.00 0.00 H new ATOM 422 N ILE A 32 1.487 0.544 -4.265 1.00 0.00 N ATOM 423 CA ILE A 32 1.422 0.755 -2.829 1.00 0.00 C ATOM 424 C ILE A 32 -0.014 1.106 -2.434 1.00 0.00 C ATOM 425 O ILE A 32 -0.483 0.710 -1.369 1.00 0.00 O ATOM 426 CB ILE A 32 2.452 1.799 -2.394 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.869 1.362 -2.771 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.325 2.105 -0.900 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.847 2.534 -2.678 1.00 0.00 C ATOM 0 H ILE A 32 2.003 1.259 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 32 1.685 -0.159 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 32 2.247 2.725 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.194 0.559 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.872 0.961 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.069 2.850 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.327 2.491 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.489 1.193 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.847 2.196 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.533 3.325 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.860 2.917 -1.658 1.00 0.00 H new ATOM 441 N LEU A 33 -0.672 1.846 -3.315 1.00 0.00 N ATOM 442 CA LEU A 33 -2.045 2.255 -3.072 1.00 0.00 C ATOM 443 C LEU A 33 -2.960 1.033 -3.163 1.00 0.00 C ATOM 444 O LEU A 33 -3.737 0.764 -2.248 1.00 0.00 O ATOM 445 CB LEU A 33 -2.441 3.392 -4.016 1.00 0.00 C ATOM 446 CG LEU A 33 -3.922 3.776 -4.020 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.734 2.818 -4.894 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.471 3.856 -2.594 1.00 0.00 C ATOM 0 H LEU A 33 -0.280 2.173 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.150 2.658 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.858 4.275 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.156 3.111 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.017 4.770 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.783 3.113 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.361 2.854 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.637 1.803 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.525 4.131 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.363 2.887 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.917 4.608 -2.032 1.00 0.00 H new ATOM 460 N ALA A 34 -2.839 0.325 -4.277 1.00 0.00 N ATOM 461 CA ALA A 34 -3.646 -0.863 -4.500 1.00 0.00 C ATOM 462 C ALA A 34 -3.585 -1.756 -3.259 1.00 0.00 C ATOM 463 O ALA A 34 -4.618 -2.095 -2.682 1.00 0.00 O ATOM 464 CB ALA A 34 -3.160 -1.581 -5.760 1.00 0.00 C ATOM 0 H ALA A 34 -2.194 0.551 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.690 -0.594 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.765 -2.472 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.252 -0.914 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.116 -1.870 -5.635 1.00 0.00 H new ATOM 470 N CYS A 35 -2.365 -2.113 -2.885 1.00 0.00 N ATOM 471 CA CYS A 35 -2.156 -2.960 -1.724 1.00 0.00 C ATOM 472 C CYS A 35 -2.953 -2.378 -0.554 1.00 0.00 C ATOM 473 O CYS A 35 -3.788 -3.062 0.034 1.00 0.00 O ATOM 474 CB CYS A 35 -0.670 -3.102 -1.387 1.00 0.00 C ATOM 475 SG CYS A 35 0.065 -4.462 -2.366 1.00 0.00 S ATOM 0 H CYS A 35 -1.511 -1.831 -3.366 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.511 -3.968 -1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.150 -2.168 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.547 -3.301 -0.322 1.00 0.00 H new ATOM 0 HG CYS A 35 1.179 -4.059 -2.901 1.00 0.00 H new ATOM 481 N LEU A 36 -2.666 -1.120 -0.253 1.00 0.00 N ATOM 482 CA LEU A 36 -3.345 -0.438 0.835 1.00 0.00 C ATOM 483 C LEU A 36 -4.851 -0.689 0.728 1.00 0.00 C ATOM 484 O LEU A 36 -5.463 -1.218 1.655 1.00 0.00 O ATOM 485 CB LEU A 36 -2.970 1.045 0.855 1.00 0.00 C ATOM 486 CG LEU A 36 -1.683 1.401 1.603 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.076 2.698 1.064 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.927 1.466 3.113 1.00 0.00 C ATOM 0 H LEU A 36 -1.972 -0.556 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.021 -0.838 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.875 1.389 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.793 1.602 1.303 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.956 0.608 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.163 2.928 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.843 2.579 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.789 3.513 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.997 1.721 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.678 2.226 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.280 0.497 3.467 1.00 0.00 H new ATOM 500 N GLU A 37 -5.404 -0.298 -0.410 1.00 0.00 N ATOM 501 CA GLU A 37 -6.827 -0.475 -0.650 1.00 0.00 C ATOM 502 C GLU A 37 -7.257 -1.894 -0.272 1.00 0.00 C ATOM 503 O GLU A 37 -8.230 -2.078 0.456 1.00 0.00 O ATOM 504 CB GLU A 37 -7.180 -0.164 -2.106 1.00 0.00 C ATOM 505 CG GLU A 37 -7.355 1.341 -2.318 1.00 0.00 C ATOM 506 CD GLU A 37 -8.505 1.628 -3.287 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.534 0.928 -3.168 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.329 2.540 -4.123 1.00 0.00 O ATOM 0 H GLU A 37 -4.893 0.141 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.372 0.228 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.394 -0.538 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.099 -0.683 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.551 1.826 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.431 1.767 -2.708 1.00 0.00 H new ATOM 515 N TYR A 38 -6.510 -2.860 -0.785 1.00 0.00 N ATOM 516 CA TYR A 38 -6.801 -4.257 -0.510 1.00 0.00 C ATOM 517 C TYR A 38 -6.712 -4.551 0.988 1.00 0.00 C ATOM 518 O TYR A 38 -7.559 -5.254 1.538 1.00 0.00 O ATOM 519 CB TYR A 38 -5.726 -5.064 -1.241 1.00 0.00 C ATOM 520 CG TYR A 38 -5.965 -6.575 -1.227 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.671 -7.309 -0.096 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.474 -7.204 -2.345 1.00 0.00 C ATOM 523 CE1 TYR A 38 -5.896 -8.731 -0.082 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.699 -8.626 -2.331 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.399 -9.320 -1.200 1.00 0.00 C ATOM 526 OH TYR A 38 -6.611 -10.663 -1.187 1.00 0.00 O ATOM 0 H TYR A 38 -5.704 -2.703 -1.390 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.809 -4.510 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.672 -4.725 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.758 -4.855 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.272 -6.817 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.704 -6.630 -3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.670 -9.317 0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.097 -9.130 -3.199 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.974 -10.945 -2.053 1.00 0.00 H new ATOM 536 N TYR A 39 -5.679 -4.000 1.607 1.00 0.00 N ATOM 537 CA TYR A 39 -5.468 -4.194 3.031 1.00 0.00 C ATOM 538 C TYR A 39 -6.140 -3.084 3.842 1.00 0.00 C ATOM 539 O TYR A 39 -5.569 -2.587 4.812 1.00 0.00 O ATOM 540 CB TYR A 39 -3.955 -4.123 3.247 1.00 0.00 C ATOM 541 CG TYR A 39 -3.186 -5.310 2.664 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.338 -6.567 3.213 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.341 -5.125 1.589 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.615 -7.685 2.665 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.617 -6.242 1.041 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.790 -7.467 1.605 1.00 0.00 C ATOM 547 OH TYR A 39 -1.107 -8.523 1.087 1.00 0.00 O ATOM 0 H TYR A 39 -4.978 -3.418 1.148 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.892 -5.144 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.577 -3.204 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.754 -4.063 4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.000 -6.712 4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.223 -4.142 1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.725 -8.674 3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.951 -6.110 0.201 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.399 -9.349 1.527 1.00 0.00 H new ATOM 557 N HIS A 40 -7.342 -2.728 3.414 1.00 0.00 N ATOM 558 CA HIS A 40 -8.098 -1.686 4.088 1.00 0.00 C ATOM 559 C HIS A 40 -7.154 -0.556 4.504 1.00 0.00 C ATOM 560 O HIS A 40 -6.999 -0.277 5.692 1.00 0.00 O ATOM 561 CB HIS A 40 -8.888 -2.262 5.265 1.00 0.00 C ATOM 562 CG HIS A 40 -10.108 -3.052 4.857 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.375 -2.777 5.341 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.242 -4.110 4.006 1.00 0.00 C ATOM 565 CE1 HIS A 40 -12.226 -3.637 4.801 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.521 -4.463 3.974 1.00 0.00 N ATOM 0 H HIS A 40 -7.811 -3.143 2.609 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.834 -1.265 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.231 -2.905 5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.198 -1.445 5.916 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.443 -4.580 3.452 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.290 -3.677 4.983 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.913 -5.226 3.422 1.00 0.00 H new ATOM 574 N TYR A 41 -6.549 0.066 3.502 1.00 0.00 N ATOM 575 CA TYR A 41 -5.626 1.160 3.749 1.00 0.00 C ATOM 576 C TYR A 41 -4.786 0.897 5.001 1.00 0.00 C ATOM 577 O TYR A 41 -4.761 1.714 5.919 1.00 0.00 O ATOM 578 CB TYR A 41 -6.492 2.399 3.982 1.00 0.00 C ATOM 579 CG TYR A 41 -7.323 2.815 2.767 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.694 3.206 1.602 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.701 2.799 2.835 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.477 3.597 0.458 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.484 3.191 1.691 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.833 3.570 0.559 1.00 0.00 C ATOM 585 OH TYR A 41 -9.571 3.940 -0.521 1.00 0.00 O ATOM 0 H TYR A 41 -6.680 -0.167 2.518 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.941 1.281 2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.163 2.209 4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.849 3.230 4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.615 3.219 1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.193 2.492 3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.998 3.905 -0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.563 3.184 1.732 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.524 3.871 -0.305 1.00 0.00 H new ATOM 595 N ASP A 42 -4.119 -0.248 4.997 1.00 0.00 N ATOM 596 CA ASP A 42 -3.280 -0.629 6.120 1.00 0.00 C ATOM 597 C ASP A 42 -1.814 -0.626 5.681 1.00 0.00 C ATOM 598 O ASP A 42 -1.442 -1.331 4.744 1.00 0.00 O ATOM 599 CB ASP A 42 -3.623 -2.037 6.612 1.00 0.00 C ATOM 600 CG ASP A 42 -2.918 -2.462 7.901 1.00 0.00 C ATOM 601 OD1 ASP A 42 -1.678 -2.316 7.944 1.00 0.00 O ATOM 602 OD2 ASP A 42 -3.636 -2.923 8.815 1.00 0.00 O ATOM 0 H ASP A 42 -4.143 -0.924 4.234 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.450 0.086 6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.700 -2.099 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.373 -2.751 5.827 1.00 0.00 H new ATOM 607 N PRO A 43 -1.001 0.195 6.398 1.00 0.00 N ATOM 608 CA PRO A 43 0.415 0.299 6.092 1.00 0.00 C ATOM 609 C PRO A 43 1.174 -0.936 6.582 1.00 0.00 C ATOM 610 O PRO A 43 1.791 -1.646 5.788 1.00 0.00 O ATOM 611 CB PRO A 43 0.871 1.582 6.768 1.00 0.00 C ATOM 612 CG PRO A 43 -0.190 1.904 7.808 1.00 0.00 C ATOM 613 CD PRO A 43 -1.407 1.043 7.515 1.00 0.00 C ATOM 0 HA PRO A 43 0.612 0.337 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.848 1.452 7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.968 2.392 6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.186 1.704 8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.453 2.961 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.688 0.447 8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.271 1.654 7.254 1.00 0.00 H new ATOM 621 N GLU A 44 1.104 -1.156 7.886 1.00 0.00 N ATOM 622 CA GLU A 44 1.776 -2.293 8.491 1.00 0.00 C ATOM 623 C GLU A 44 1.499 -3.564 7.686 1.00 0.00 C ATOM 624 O GLU A 44 2.425 -4.205 7.192 1.00 0.00 O ATOM 625 CB GLU A 44 1.355 -2.466 9.952 1.00 0.00 C ATOM 626 CG GLU A 44 2.510 -2.136 10.899 1.00 0.00 C ATOM 627 CD GLU A 44 3.075 -3.406 11.538 1.00 0.00 C ATOM 628 OE1 GLU A 44 2.358 -3.984 12.383 1.00 0.00 O ATOM 629 OE2 GLU A 44 4.212 -3.771 11.167 1.00 0.00 O ATOM 0 H GLU A 44 0.592 -0.566 8.541 1.00 0.00 H new ATOM 0 HA GLU A 44 2.850 -2.105 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.506 -1.818 10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.024 -3.491 10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.298 -1.619 10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.164 -1.456 11.677 1.00 0.00 H new ATOM 636 N GLN A 45 0.219 -3.890 7.578 1.00 0.00 N ATOM 637 CA GLN A 45 -0.192 -5.073 6.841 1.00 0.00 C ATOM 638 C GLN A 45 0.587 -5.178 5.529 1.00 0.00 C ATOM 639 O GLN A 45 1.297 -6.157 5.301 1.00 0.00 O ATOM 640 CB GLN A 45 -1.700 -5.062 6.584 1.00 0.00 C ATOM 641 CG GLN A 45 -2.468 -5.580 7.802 1.00 0.00 C ATOM 642 CD GLN A 45 -3.881 -6.020 7.412 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.099 -6.682 6.411 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.825 -5.617 8.257 1.00 0.00 N ATOM 0 H GLN A 45 -0.547 -3.356 7.988 1.00 0.00 H new ATOM 0 HA GLN A 45 0.034 -5.951 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.025 -4.048 6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.929 -5.680 5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.931 -6.419 8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.523 -4.800 8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.574 -5.065 9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.801 -5.860 8.085 1.00 0.00 H new ATOM 653 N VAL A 46 0.429 -4.156 4.700 1.00 0.00 N ATOM 654 CA VAL A 46 1.109 -4.122 3.417 1.00 0.00 C ATOM 655 C VAL A 46 2.550 -4.606 3.594 1.00 0.00 C ATOM 656 O VAL A 46 2.903 -5.694 3.141 1.00 0.00 O ATOM 657 CB VAL A 46 1.021 -2.718 2.815 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.853 -2.616 1.535 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.435 -2.323 2.556 1.00 0.00 C ATOM 0 H VAL A 46 -0.160 -3.346 4.892 1.00 0.00 H new ATOM 0 HA VAL A 46 0.624 -4.796 2.711 1.00 0.00 H new ATOM 0 HB VAL A 46 1.435 -2.017 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.773 -1.608 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.897 -2.834 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.483 -3.333 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.470 -1.321 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.886 -3.031 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.988 -2.336 3.495 1.00 0.00 H new ATOM 669 N ILE A 47 3.343 -3.775 4.254 1.00 0.00 N ATOM 670 CA ILE A 47 4.737 -4.105 4.497 1.00 0.00 C ATOM 671 C ILE A 47 4.836 -5.552 4.983 1.00 0.00 C ATOM 672 O ILE A 47 5.438 -6.394 4.318 1.00 0.00 O ATOM 673 CB ILE A 47 5.369 -3.090 5.452 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.345 -1.683 4.851 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.782 -3.520 5.852 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.513 -0.620 5.939 1.00 0.00 C ATOM 0 H ILE A 47 3.047 -2.874 4.628 1.00 0.00 H new ATOM 0 HA ILE A 47 5.312 -4.039 3.573 1.00 0.00 H new ATOM 0 HB ILE A 47 4.772 -3.060 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.143 -1.584 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.404 -1.524 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.209 -2.782 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.740 -4.489 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.405 -3.596 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.492 0.371 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.700 -0.706 6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.466 -0.767 6.447 1.00 0.00 H new ATOM 688 N ASN A 48 4.238 -5.797 6.140 1.00 0.00 N ATOM 689 CA ASN A 48 4.252 -7.127 6.723 1.00 0.00 C ATOM 690 C ASN A 48 4.035 -8.165 5.620 1.00 0.00 C ATOM 691 O ASN A 48 4.879 -9.033 5.404 1.00 0.00 O ATOM 692 CB ASN A 48 3.132 -7.290 7.752 1.00 0.00 C ATOM 693 CG ASN A 48 3.670 -7.144 9.177 1.00 0.00 C ATOM 694 OD1 ASN A 48 4.603 -7.814 9.587 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.033 -6.232 9.905 1.00 0.00 N ATOM 0 H ASN A 48 3.741 -5.096 6.689 1.00 0.00 H new ATOM 0 HA ASN A 48 5.215 -7.270 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.358 -6.543 7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.665 -8.268 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.318 -6.059 10.869 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.259 -5.706 9.500 1.00 0.00 H new ATOM 702 N ASN A 49 2.897 -8.042 4.951 1.00 0.00 N ATOM 703 CA ASN A 49 2.558 -8.958 3.876 1.00 0.00 C ATOM 704 C ASN A 49 3.769 -9.128 2.956 1.00 0.00 C ATOM 705 O ASN A 49 4.319 -10.223 2.844 1.00 0.00 O ATOM 706 CB ASN A 49 1.399 -8.417 3.037 1.00 0.00 C ATOM 707 CG ASN A 49 0.056 -8.924 3.566 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.367 -10.036 3.296 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.589 -8.048 4.331 1.00 0.00 N ATOM 0 H ASN A 49 2.198 -7.321 5.133 1.00 0.00 H new ATOM 0 HA ASN A 49 2.267 -9.909 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.412 -7.327 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.524 -8.723 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.495 -8.291 4.732 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.178 -7.133 4.517 1.00 0.00 H new ATOM 716 N ILE A 50 4.149 -8.029 2.321 1.00 0.00 N ATOM 717 CA ILE A 50 5.284 -8.043 1.415 1.00 0.00 C ATOM 718 C ILE A 50 6.398 -8.907 2.012 1.00 0.00 C ATOM 719 O ILE A 50 6.867 -9.848 1.375 1.00 0.00 O ATOM 720 CB ILE A 50 5.724 -6.616 1.084 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.618 -5.859 0.345 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.040 -6.614 0.304 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.680 -4.361 0.651 1.00 0.00 C ATOM 0 H ILE A 50 3.691 -7.123 2.416 1.00 0.00 H new ATOM 0 HA ILE A 50 5.005 -8.495 0.463 1.00 0.00 H new ATOM 0 HB ILE A 50 5.905 -6.089 2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.718 -6.019 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.645 -6.253 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.330 -5.587 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.818 -7.089 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.911 -7.164 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.883 -3.847 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.556 -4.203 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.645 -3.965 0.336 1.00 0.00 H new ATOM 735 N LEU A 51 6.787 -8.555 3.228 1.00 0.00 N ATOM 736 CA LEU A 51 7.837 -9.286 3.918 1.00 0.00 C ATOM 737 C LEU A 51 7.470 -10.770 3.969 1.00 0.00 C ATOM 738 O LEU A 51 8.317 -11.631 3.736 1.00 0.00 O ATOM 739 CB LEU A 51 8.102 -8.670 5.294 1.00 0.00 C ATOM 740 CG LEU A 51 9.307 -7.731 5.387 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.256 -6.901 6.671 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.619 -8.508 5.258 1.00 0.00 C ATOM 0 H LEU A 51 6.395 -7.774 3.753 1.00 0.00 H new ATOM 0 HA LEU A 51 8.778 -9.209 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.213 -8.120 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.240 -9.479 6.012 1.00 0.00 H new ATOM 0 HG LEU A 51 9.263 -7.034 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.123 -6.242 6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.345 -6.303 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.263 -7.566 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.459 -7.817 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.687 -9.243 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.647 -9.018 4.295 1.00 0.00 H new ATOM 754 N GLU A 52 6.206 -11.024 4.275 1.00 0.00 N ATOM 755 CA GLU A 52 5.716 -12.390 4.360 1.00 0.00 C ATOM 756 C GLU A 52 5.237 -12.868 2.988 1.00 0.00 C ATOM 757 O GLU A 52 4.520 -13.862 2.888 1.00 0.00 O ATOM 758 CB GLU A 52 4.602 -12.509 5.401 1.00 0.00 C ATOM 759 CG GLU A 52 5.089 -12.058 6.780 1.00 0.00 C ATOM 760 CD GLU A 52 5.222 -13.249 7.731 1.00 0.00 C ATOM 761 OE1 GLU A 52 5.741 -14.289 7.270 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.801 -13.093 8.898 1.00 0.00 O ATOM 0 H GLU A 52 5.506 -10.307 4.467 1.00 0.00 H new ATOM 0 HA GLU A 52 6.538 -13.031 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.749 -11.903 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.257 -13.542 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.052 -11.556 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.391 -11.332 7.196 1.00 0.00 H new ATOM 769 N GLU A 53 5.654 -12.137 1.964 1.00 0.00 N ATOM 770 CA GLU A 53 5.276 -12.474 0.601 1.00 0.00 C ATOM 771 C GLU A 53 3.825 -12.956 0.557 1.00 0.00 C ATOM 772 O GLU A 53 3.465 -13.773 -0.290 1.00 0.00 O ATOM 773 CB GLU A 53 6.222 -13.524 0.014 1.00 0.00 C ATOM 774 CG GLU A 53 7.451 -12.864 -0.615 1.00 0.00 C ATOM 775 CD GLU A 53 8.373 -13.911 -1.243 1.00 0.00 C ATOM 776 OE1 GLU A 53 7.968 -14.473 -2.284 1.00 0.00 O ATOM 777 OE2 GLU A 53 9.462 -14.125 -0.669 1.00 0.00 O ATOM 0 H GLU A 53 6.249 -11.313 2.050 1.00 0.00 H new ATOM 0 HA GLU A 53 5.358 -11.576 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.536 -14.214 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.696 -14.113 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.136 -12.149 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.996 -12.303 0.144 1.00 0.00 H new ATOM 784 N ARG A 54 3.031 -12.431 1.479 1.00 0.00 N ATOM 785 CA ARG A 54 1.628 -12.798 1.555 1.00 0.00 C ATOM 786 C ARG A 54 0.809 -11.977 0.557 1.00 0.00 C ATOM 787 O ARG A 54 -0.407 -12.137 0.465 1.00 0.00 O ATOM 788 CB ARG A 54 1.075 -12.573 2.964 1.00 0.00 C ATOM 789 CG ARG A 54 1.645 -13.599 3.946 1.00 0.00 C ATOM 790 CD ARG A 54 0.800 -13.666 5.220 1.00 0.00 C ATOM 791 NE ARG A 54 1.663 -13.962 6.385 1.00 0.00 N ATOM 792 CZ ARG A 54 2.262 -15.141 6.596 1.00 0.00 C ATOM 793 NH1 ARG A 54 2.096 -16.143 5.722 1.00 0.00 N ATOM 794 NH2 ARG A 54 3.028 -15.319 7.682 1.00 0.00 N ATOM 0 H ARG A 54 3.333 -11.754 2.180 1.00 0.00 H new ATOM 0 HA ARG A 54 1.549 -13.857 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.323 -11.566 3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.013 -12.645 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.677 -14.581 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.671 -13.334 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.281 -12.719 5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.035 -14.436 5.119 1.00 0.00 H new ATOM 0 HE ARG A 54 1.811 -13.221 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.513 -16.008 4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.552 -17.041 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.154 -14.556 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.484 -16.217 7.843 1.00 0.00 H new ATOM 808 N LEU A 55 1.509 -11.116 -0.167 1.00 0.00 N ATOM 809 CA LEU A 55 0.863 -10.269 -1.155 1.00 0.00 C ATOM 810 C LEU A 55 -0.058 -11.124 -2.029 1.00 0.00 C ATOM 811 O LEU A 55 0.388 -12.090 -2.646 1.00 0.00 O ATOM 812 CB LEU A 55 1.905 -9.480 -1.949 1.00 0.00 C ATOM 813 CG LEU A 55 2.687 -8.424 -1.164 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.790 -7.806 -2.026 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.747 -7.362 -0.588 1.00 0.00 C ATOM 0 H LEU A 55 2.518 -10.987 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 55 0.237 -9.523 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.616 -10.185 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.402 -8.987 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 55 3.174 -8.915 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.330 -7.059 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.481 -8.586 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.345 -7.333 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.328 -6.624 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.213 -6.869 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.030 -7.836 0.082 1.00 0.00 H new ATOM 827 N ALA A 56 -1.325 -10.738 -2.053 1.00 0.00 N ATOM 828 CA ALA A 56 -2.311 -11.457 -2.841 1.00 0.00 C ATOM 829 C ALA A 56 -1.803 -11.604 -4.276 1.00 0.00 C ATOM 830 O ALA A 56 -0.951 -10.835 -4.718 1.00 0.00 O ATOM 831 CB ALA A 56 -3.653 -10.726 -2.770 1.00 0.00 C ATOM 0 H ALA A 56 -1.691 -9.937 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.464 -12.460 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.393 -11.265 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.985 -10.674 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.539 -9.717 -3.165 1.00 0.00 H new ATOM 837 N PRO A 57 -2.361 -12.624 -4.982 1.00 0.00 N ATOM 838 CA PRO A 57 -1.973 -12.881 -6.358 1.00 0.00 C ATOM 839 C PRO A 57 -2.585 -11.846 -7.304 1.00 0.00 C ATOM 840 O PRO A 57 -2.320 -11.863 -8.505 1.00 0.00 O ATOM 841 CB PRO A 57 -2.446 -14.298 -6.642 1.00 0.00 C ATOM 842 CG PRO A 57 -3.486 -14.610 -5.578 1.00 0.00 C ATOM 843 CD PRO A 57 -3.372 -13.555 -4.491 1.00 0.00 C ATOM 0 HA PRO A 57 -0.898 -12.795 -6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.874 -14.374 -7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.616 -15.003 -6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.487 -14.606 -6.010 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.321 -15.605 -5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.325 -13.053 -4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.075 -13.997 -3.540 1.00 0.00 H new ATOM 851 N THR A 58 -3.392 -10.968 -6.726 1.00 0.00 N ATOM 852 CA THR A 58 -4.044 -9.927 -7.502 1.00 0.00 C ATOM 853 C THR A 58 -3.254 -8.620 -7.411 1.00 0.00 C ATOM 854 O THR A 58 -3.319 -7.787 -8.314 1.00 0.00 O ATOM 855 CB THR A 58 -5.486 -9.800 -7.006 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.150 -10.925 -7.577 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.209 -8.595 -7.609 1.00 0.00 C ATOM 0 H THR A 58 -3.609 -10.956 -5.729 1.00 0.00 H new ATOM 0 HA THR A 58 -4.070 -10.182 -8.561 1.00 0.00 H new ATOM 0 HB THR A 58 -5.490 -9.718 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.091 -10.922 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.228 -8.552 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.680 -7.681 -7.339 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.235 -8.692 -8.694 1.00 0.00 H new ATOM 865 N LEU A 59 -2.524 -8.482 -6.314 1.00 0.00 N ATOM 866 CA LEU A 59 -1.722 -7.291 -6.094 1.00 0.00 C ATOM 867 C LEU A 59 -0.285 -7.558 -6.547 1.00 0.00 C ATOM 868 O LEU A 59 0.302 -6.753 -7.268 1.00 0.00 O ATOM 869 CB LEU A 59 -1.833 -6.832 -4.638 1.00 0.00 C ATOM 870 CG LEU A 59 -3.245 -6.801 -4.050 1.00 0.00 C ATOM 871 CD1 LEU A 59 -3.203 -6.826 -2.521 1.00 0.00 C ATOM 872 CD2 LEU A 59 -4.034 -5.603 -4.583 1.00 0.00 C ATOM 0 H LEU A 59 -2.471 -9.176 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.097 -6.463 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.219 -7.490 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.406 -5.832 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.769 -7.701 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.220 -6.803 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.705 -7.736 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.654 -5.957 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.034 -5.604 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.522 -4.680 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.109 -5.670 -5.668 1.00 0.00 H new ATOM 884 N SER A 60 0.239 -8.692 -6.105 1.00 0.00 N ATOM 885 CA SER A 60 1.596 -9.075 -6.456 1.00 0.00 C ATOM 886 C SER A 60 1.735 -9.174 -7.976 1.00 0.00 C ATOM 887 O SER A 60 2.831 -9.021 -8.514 1.00 0.00 O ATOM 888 CB SER A 60 1.981 -10.403 -5.800 1.00 0.00 C ATOM 889 OG SER A 60 2.921 -10.224 -4.744 1.00 0.00 O ATOM 0 H SER A 60 -0.251 -9.357 -5.507 1.00 0.00 H new ATOM 0 HA SER A 60 2.275 -8.307 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.086 -10.888 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.403 -11.070 -6.552 1.00 0.00 H new ATOM 0 HG SER A 60 3.140 -11.094 -4.350 1.00 0.00 H new ATOM 895 N GLN A 61 0.609 -9.430 -8.626 1.00 0.00 N ATOM 896 CA GLN A 61 0.592 -9.552 -10.074 1.00 0.00 C ATOM 897 C GLN A 61 0.617 -8.166 -10.723 1.00 0.00 C ATOM 898 O GLN A 61 1.113 -8.008 -11.838 1.00 0.00 O ATOM 899 CB GLN A 61 -0.623 -10.355 -10.542 1.00 0.00 C ATOM 900 CG GLN A 61 -1.922 -9.594 -10.266 1.00 0.00 C ATOM 901 CD GLN A 61 -2.327 -8.745 -11.472 1.00 0.00 C ATOM 902 OE1 GLN A 61 -1.501 -8.251 -12.222 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.641 -8.603 -11.617 1.00 0.00 N ATOM 0 H GLN A 61 -0.298 -9.556 -8.177 1.00 0.00 H new ATOM 0 HA GLN A 61 1.485 -10.094 -10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.538 -10.562 -11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.646 -11.318 -10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.718 -10.300 -10.030 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.794 -8.954 -9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.278 -9.043 -10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.012 -8.054 -12.392 1.00 0.00 H new ATOM 912 N LEU A 62 0.077 -7.198 -9.998 1.00 0.00 N ATOM 913 CA LEU A 62 0.032 -5.831 -10.489 1.00 0.00 C ATOM 914 C LEU A 62 1.459 -5.319 -10.691 1.00 0.00 C ATOM 915 O LEU A 62 2.410 -5.898 -10.169 1.00 0.00 O ATOM 916 CB LEU A 62 -0.810 -4.955 -9.559 1.00 0.00 C ATOM 917 CG LEU A 62 -2.326 -5.147 -9.647 1.00 0.00 C ATOM 918 CD1 LEU A 62 -3.026 -4.546 -8.427 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.874 -4.583 -10.959 1.00 0.00 C ATOM 0 H LEU A 62 -0.333 -7.333 -9.074 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.462 -5.791 -11.460 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.499 -5.146 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.583 -3.910 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.536 -6.216 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.102 -4.696 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.664 -5.035 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.812 -3.479 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.953 -4.732 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.653 -3.517 -11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.407 -5.097 -11.799 1.00 0.00 H new ATOM 931 N ASP A 63 1.564 -4.238 -11.450 1.00 0.00 N ATOM 932 CA ASP A 63 2.859 -3.641 -11.728 1.00 0.00 C ATOM 933 C ASP A 63 3.503 -3.196 -10.414 1.00 0.00 C ATOM 934 O ASP A 63 2.947 -2.367 -9.695 1.00 0.00 O ATOM 935 CB ASP A 63 2.717 -2.410 -12.626 1.00 0.00 C ATOM 936 CG ASP A 63 3.557 -2.442 -13.904 1.00 0.00 C ATOM 937 OD1 ASP A 63 3.228 -3.272 -14.779 1.00 0.00 O ATOM 938 OD2 ASP A 63 4.509 -1.635 -13.978 1.00 0.00 O ATOM 0 H ASP A 63 0.773 -3.760 -11.881 1.00 0.00 H new ATOM 0 HA ASP A 63 3.473 -4.387 -12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.668 -2.299 -12.901 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.991 -1.526 -12.051 1.00 0.00 H new ATOM 943 N ARG A 64 4.667 -3.767 -10.139 1.00 0.00 N ATOM 944 CA ARG A 64 5.392 -3.439 -8.923 1.00 0.00 C ATOM 945 C ARG A 64 5.726 -1.946 -8.891 1.00 0.00 C ATOM 946 O ARG A 64 5.892 -1.367 -7.818 1.00 0.00 O ATOM 947 CB ARG A 64 6.687 -4.247 -8.820 1.00 0.00 C ATOM 948 CG ARG A 64 6.393 -5.720 -8.530 1.00 0.00 C ATOM 949 CD ARG A 64 7.265 -6.239 -7.384 1.00 0.00 C ATOM 950 NE ARG A 64 8.625 -6.544 -7.883 1.00 0.00 N ATOM 951 CZ ARG A 64 8.916 -7.575 -8.687 1.00 0.00 C ATOM 952 NH1 ARG A 64 7.945 -8.406 -9.090 1.00 0.00 N ATOM 953 NH2 ARG A 64 10.178 -7.776 -9.090 1.00 0.00 N ATOM 0 H ARG A 64 5.126 -4.454 -10.737 1.00 0.00 H new ATOM 0 HA ARG A 64 4.752 -3.690 -8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.248 -4.161 -9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.315 -3.835 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.340 -5.841 -8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.573 -6.314 -9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.318 -5.494 -6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.818 -7.134 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 64 9.388 -5.931 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.984 -8.253 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.167 -9.191 -9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.918 -7.144 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.399 -8.561 -9.702 1.00 0.00 H new ATOM 967 N ASN A 65 5.816 -1.367 -10.079 1.00 0.00 N ATOM 968 CA ASN A 65 6.128 0.047 -10.200 1.00 0.00 C ATOM 969 C ASN A 65 4.900 0.793 -10.726 1.00 0.00 C ATOM 970 O ASN A 65 5.031 1.787 -11.439 1.00 0.00 O ATOM 971 CB ASN A 65 7.277 0.276 -11.183 1.00 0.00 C ATOM 972 CG ASN A 65 8.413 1.061 -10.526 1.00 0.00 C ATOM 973 OD1 ASN A 65 8.264 2.205 -10.129 1.00 0.00 O ATOM 974 ND2 ASN A 65 9.555 0.385 -10.432 1.00 0.00 N ATOM 0 H ASN A 65 5.678 -1.851 -10.966 1.00 0.00 H new ATOM 0 HA ASN A 65 6.418 0.413 -9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.652 -0.683 -11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.912 0.819 -12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.373 0.822 -10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.613 -0.570 -10.784 1.00 0.00 H new ATOM 981 N LEU A 66 3.734 0.283 -10.356 1.00 0.00 N ATOM 982 CA LEU A 66 2.483 0.888 -10.782 1.00 0.00 C ATOM 983 C LEU A 66 2.433 2.339 -10.300 1.00 0.00 C ATOM 984 O LEU A 66 2.938 2.658 -9.224 1.00 0.00 O ATOM 985 CB LEU A 66 1.294 0.045 -10.318 1.00 0.00 C ATOM 986 CG LEU A 66 -0.073 0.453 -10.869 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.510 -0.481 -12.000 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.116 0.525 -9.751 1.00 0.00 C ATOM 0 H LEU A 66 3.629 -0.542 -9.766 1.00 0.00 H new ATOM 0 HA LEU A 66 2.422 0.911 -11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.480 -0.993 -10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.251 0.082 -9.229 1.00 0.00 H new ATOM 0 HG LEU A 66 0.015 1.453 -11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.485 -0.168 -12.374 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.219 -0.439 -12.809 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.576 -1.502 -11.624 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.079 0.817 -10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.208 -0.452 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.805 1.261 -9.010 1.00 0.00 H new ATOM 1000 N ASP A 67 1.820 3.181 -11.119 1.00 0.00 N ATOM 1001 CA ASP A 67 1.698 4.591 -10.790 1.00 0.00 C ATOM 1002 C ASP A 67 0.244 4.901 -10.425 1.00 0.00 C ATOM 1003 O ASP A 67 -0.641 4.073 -10.633 1.00 0.00 O ATOM 1004 CB ASP A 67 2.084 5.470 -11.981 1.00 0.00 C ATOM 1005 CG ASP A 67 1.919 6.974 -11.754 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.731 7.524 -10.979 1.00 0.00 O ATOM 1007 OD2 ASP A 67 0.984 7.540 -12.361 1.00 0.00 O ATOM 0 H ASP A 67 1.402 2.914 -12.010 1.00 0.00 H new ATOM 0 HA ASP A 67 2.366 4.802 -9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.123 5.269 -12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.479 5.179 -12.840 1.00 0.00 H new ATOM 1012 N ARG A 68 0.044 6.095 -9.888 1.00 0.00 N ATOM 1013 CA ARG A 68 -1.286 6.524 -9.492 1.00 0.00 C ATOM 1014 C ARG A 68 -1.897 7.422 -10.570 1.00 0.00 C ATOM 1015 O ARG A 68 -1.323 8.451 -10.924 1.00 0.00 O ATOM 1016 CB ARG A 68 -1.248 7.286 -8.165 1.00 0.00 C ATOM 1017 CG ARG A 68 -0.674 6.412 -7.048 1.00 0.00 C ATOM 1018 CD ARG A 68 -1.545 6.484 -5.793 1.00 0.00 C ATOM 1019 NE ARG A 68 -0.803 7.147 -4.698 1.00 0.00 N ATOM 1020 CZ ARG A 68 -0.687 8.476 -4.566 1.00 0.00 C ATOM 1021 NH1 ARG A 68 -1.264 9.291 -5.459 1.00 0.00 N ATOM 1022 NH2 ARG A 68 0.007 8.989 -3.541 1.00 0.00 N ATOM 0 H ARG A 68 0.781 6.779 -9.718 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.898 5.631 -9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.643 8.186 -8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.254 7.609 -7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.606 5.379 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.339 6.737 -6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.461 7.034 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.840 5.480 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.352 6.556 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.792 8.900 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.176 10.302 -5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.447 8.368 -2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.095 10.000 -3.440 1.00 0.00 H new ATOM 1036 N GLU A 69 -3.052 7.000 -11.062 1.00 0.00 N ATOM 1037 CA GLU A 69 -3.747 7.753 -12.092 1.00 0.00 C ATOM 1038 C GLU A 69 -4.502 8.930 -11.472 1.00 0.00 C ATOM 1039 O GLU A 69 -5.204 8.765 -10.475 1.00 0.00 O ATOM 1040 CB GLU A 69 -4.694 6.851 -12.886 1.00 0.00 C ATOM 1041 CG GLU A 69 -4.541 7.085 -14.391 1.00 0.00 C ATOM 1042 CD GLU A 69 -5.907 7.169 -15.074 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -6.770 7.891 -14.530 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -6.058 6.509 -16.125 1.00 0.00 O ATOM 0 H GLU A 69 -3.524 6.146 -10.766 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.006 8.148 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.487 5.806 -12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.724 7.046 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.986 8.007 -14.565 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.959 6.275 -14.831 1.00 0.00 H new ATOM 1051 N MET A 70 -4.332 10.091 -12.087 1.00 0.00 N ATOM 1052 CA MET A 70 -4.989 11.295 -11.607 1.00 0.00 C ATOM 1053 C MET A 70 -6.050 11.774 -12.601 1.00 0.00 C ATOM 1054 O MET A 70 -5.719 12.318 -13.653 1.00 0.00 O ATOM 1055 CB MET A 70 -3.948 12.397 -11.400 1.00 0.00 C ATOM 1056 CG MET A 70 -3.369 12.345 -9.985 1.00 0.00 C ATOM 1057 SD MET A 70 -3.373 13.978 -9.263 1.00 0.00 S ATOM 1058 CE MET A 70 -1.974 14.695 -10.109 1.00 0.00 C ATOM 0 H MET A 70 -3.749 10.224 -12.913 1.00 0.00 H new ATOM 0 HA MET A 70 -5.481 11.066 -10.662 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.146 12.286 -12.129 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.405 13.371 -11.574 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.956 11.664 -9.368 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.352 11.953 -10.013 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.833 15.723 -9.773 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.078 14.115 -9.887 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.155 14.686 -11.184 1.00 0.00 H new ATOM 1068 N ASN A 71 -7.303 11.555 -12.231 1.00 0.00 N ATOM 1069 CA ASN A 71 -8.414 11.957 -13.077 1.00 0.00 C ATOM 1070 C ASN A 71 -8.082 11.635 -14.535 1.00 0.00 C ATOM 1071 O ASN A 71 -8.911 11.083 -15.257 1.00 0.00 O ATOM 1072 CB ASN A 71 -8.669 13.462 -12.971 1.00 0.00 C ATOM 1073 CG ASN A 71 -10.110 13.744 -12.539 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -10.487 13.570 -11.392 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -10.891 14.190 -13.519 1.00 0.00 N ATOM 0 H ASN A 71 -7.574 11.104 -11.357 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.302 11.416 -12.748 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.977 13.902 -12.253 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.474 13.936 -13.933 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.870 14.409 -13.332 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.511 14.313 -14.458 1.00 0.00 H new TER 1082 ASN A 71