USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.738 K(o=0.74,f=-0.21) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 176:sc= 1.29 (180deg=0) USER MOD Set 2.2: A 44 THR OG1 : rot 150:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.238 (180deg=0) USER MOD Single : A 7 MET CE :methyl 164:sc= -1.38 (180deg=-1.51) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0748) USER MOD Single : A 12 MET CE :methyl 173:sc= -0.0328 (180deg=-0.17) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 18 THR OG1 : rot 139:sc= 1.21 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.432 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0939 K(o=-0.094,f=-1.8!) USER MOD Single : A 32 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.94) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00832 K(o=-0.0083,f=-1.7) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 53 SER OG : rot -43:sc= 0.855 USER MOD Single : A 57 MET CE :methyl -171:sc= -2.31 (180deg=-2.48) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0.794 (180deg=-1.48!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 64 MET CE :methyl 173:sc= -0.0627 (180deg=-0.111) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.242 0.770 17.453 1.00 0.00 N ATOM 2 CA GLY A 1 3.623 1.128 16.076 1.00 0.00 C ATOM 3 C GLY A 1 2.410 0.965 15.173 1.00 0.00 C ATOM 4 O GLY A 1 1.368 0.536 15.666 1.00 0.00 O ATOM 0 H1 GLY A 1 3.341 1.603 18.068 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.254 0.445 17.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.862 0.009 17.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.985 2.156 16.040 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.438 0.491 15.732 1.00 0.00 H new ATOM 10 N GLU A 2 2.545 1.301 13.891 1.00 0.00 N ATOM 11 CA GLU A 2 1.520 1.057 12.890 1.00 0.00 C ATOM 12 C GLU A 2 1.560 -0.402 12.422 1.00 0.00 C ATOM 13 O GLU A 2 2.384 -1.187 12.889 1.00 0.00 O ATOM 14 CB GLU A 2 1.729 2.044 11.736 1.00 0.00 C ATOM 15 CG GLU A 2 1.324 3.463 12.160 1.00 0.00 C ATOM 16 CD GLU A 2 1.186 4.423 10.983 1.00 0.00 C ATOM 17 OE1 GLU A 2 1.382 3.981 9.830 1.00 0.00 O ATOM 18 OE2 GLU A 2 0.901 5.607 11.253 1.00 0.00 O ATOM 0 H GLU A 2 3.379 1.755 13.519 1.00 0.00 H new ATOM 0 HA GLU A 2 0.528 1.217 13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.774 2.035 11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.139 1.734 10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.377 3.419 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.067 3.854 12.855 1.00 0.00 H new ATOM 25 N VAL A 3 0.654 -0.758 11.509 1.00 0.00 N ATOM 26 CA VAL A 3 0.497 -2.091 10.952 1.00 0.00 C ATOM 27 C VAL A 3 1.013 -2.063 9.518 1.00 0.00 C ATOM 28 O VAL A 3 0.784 -1.092 8.799 1.00 0.00 O ATOM 29 CB VAL A 3 -0.993 -2.463 10.989 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.297 -3.764 10.244 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.486 -2.589 12.437 1.00 0.00 C ATOM 0 H VAL A 3 -0.016 -0.092 11.125 1.00 0.00 H new ATOM 0 HA VAL A 3 1.057 -2.832 11.522 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.520 -1.654 10.483 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.364 -3.977 10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.005 -3.661 9.199 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.738 -4.582 10.698 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.544 -2.853 12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.917 -3.365 12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.348 -1.638 12.952 1.00 0.00 H new ATOM 41 N VAL A 4 1.687 -3.133 9.098 1.00 0.00 N ATOM 42 CA VAL A 4 2.142 -3.330 7.730 1.00 0.00 C ATOM 43 C VAL A 4 1.076 -4.156 7.003 1.00 0.00 C ATOM 44 O VAL A 4 0.757 -5.270 7.426 1.00 0.00 O ATOM 45 CB VAL A 4 3.555 -3.965 7.720 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.720 -5.129 6.739 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.623 -2.945 7.332 1.00 0.00 C ATOM 0 H VAL A 4 1.936 -3.904 9.718 1.00 0.00 H new ATOM 0 HA VAL A 4 2.254 -2.386 7.197 1.00 0.00 H new ATOM 0 HB VAL A 4 3.675 -4.330 8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.738 -5.513 6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.018 -5.922 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.522 -4.781 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.602 -3.424 7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.412 -2.558 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.619 -2.124 8.048 1.00 0.00 H new ATOM 57 N LEU A 5 0.540 -3.623 5.904 1.00 0.00 N ATOM 58 CA LEU A 5 -0.297 -4.362 4.974 1.00 0.00 C ATOM 59 C LEU A 5 0.604 -4.741 3.810 1.00 0.00 C ATOM 60 O LEU A 5 1.437 -3.921 3.408 1.00 0.00 O ATOM 61 CB LEU A 5 -1.415 -3.455 4.437 1.00 0.00 C ATOM 62 CG LEU A 5 -2.597 -3.350 5.403 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.387 -2.074 5.097 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.526 -4.559 5.255 1.00 0.00 C ATOM 0 H LEU A 5 0.681 -2.649 5.636 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.747 -5.228 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.013 -2.459 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.765 -3.842 3.480 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.213 -3.323 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.230 -1.995 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.738 -1.207 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.755 -2.111 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.360 -4.465 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.908 -4.602 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.972 -5.472 5.474 1.00 0.00 H new ATOM 76 N LYS A 6 0.434 -5.946 3.255 1.00 0.00 N ATOM 77 CA LYS A 6 1.156 -6.365 2.069 1.00 0.00 C ATOM 78 C LYS A 6 0.104 -6.650 0.997 1.00 0.00 C ATOM 79 O LYS A 6 -0.850 -7.395 1.243 1.00 0.00 O ATOM 80 CB LYS A 6 2.013 -7.593 2.400 1.00 0.00 C ATOM 81 CG LYS A 6 3.352 -7.630 1.675 1.00 0.00 C ATOM 82 CD LYS A 6 4.400 -6.925 2.536 1.00 0.00 C ATOM 83 CE LYS A 6 5.777 -7.088 1.887 1.00 0.00 C ATOM 84 NZ LYS A 6 6.810 -6.354 2.636 1.00 0.00 N ATOM 0 H LYS A 6 -0.208 -6.649 3.621 1.00 0.00 H new ATOM 0 HA LYS A 6 1.843 -5.601 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.193 -7.618 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.451 -8.493 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.650 -8.661 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.269 -7.140 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.155 -5.868 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.406 -7.347 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.038 -8.145 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.743 -6.726 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.742 -6.538 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.607 -5.335 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.811 -6.671 3.627 1.00 0.00 H new ATOM 98 N MET A 7 0.249 -6.007 -0.159 1.00 0.00 N ATOM 99 CA MET A 7 -0.645 -6.104 -1.286 1.00 0.00 C ATOM 100 C MET A 7 0.149 -6.526 -2.511 1.00 0.00 C ATOM 101 O MET A 7 1.064 -5.819 -2.927 1.00 0.00 O ATOM 102 CB MET A 7 -1.374 -4.776 -1.501 1.00 0.00 C ATOM 103 CG MET A 7 -0.584 -3.527 -1.124 1.00 0.00 C ATOM 104 SD MET A 7 -1.463 -1.964 -1.329 1.00 0.00 S ATOM 105 CE MET A 7 -2.382 -1.928 0.226 1.00 0.00 C ATOM 0 H MET A 7 1.033 -5.378 -0.333 1.00 0.00 H new ATOM 0 HA MET A 7 -1.409 -6.858 -1.097 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.658 -4.703 -2.551 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.297 -4.790 -0.922 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.272 -3.615 -0.083 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.323 -3.496 -1.727 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.755 -0.920 0.405 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.222 -2.621 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.725 -2.222 1.044 1.00 0.00 H new ATOM 115 N LYS A 8 -0.201 -7.677 -3.084 1.00 0.00 N ATOM 116 CA LYS A 8 0.436 -8.146 -4.307 1.00 0.00 C ATOM 117 C LYS A 8 -0.152 -7.364 -5.471 1.00 0.00 C ATOM 118 O LYS A 8 -1.369 -7.392 -5.628 1.00 0.00 O ATOM 119 CB LYS A 8 0.283 -9.657 -4.498 1.00 0.00 C ATOM 120 CG LYS A 8 1.113 -10.391 -3.440 1.00 0.00 C ATOM 121 CD LYS A 8 0.320 -10.763 -2.183 1.00 0.00 C ATOM 122 CE LYS A 8 -0.184 -12.212 -2.234 1.00 0.00 C ATOM 123 NZ LYS A 8 -0.963 -12.499 -3.457 1.00 0.00 N ATOM 0 H LYS A 8 -0.922 -8.299 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 8 1.510 -7.971 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.766 -9.941 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.612 -9.943 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.526 -11.299 -3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.957 -9.764 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.949 -10.628 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.528 -10.087 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.667 -12.891 -2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.803 -12.409 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.407 -13.436 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.701 -11.776 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.330 -12.488 -4.282 1.00 0.00 H new ATOM 137 N VAL A 9 0.680 -6.646 -6.224 1.00 0.00 N ATOM 138 CA VAL A 9 0.259 -5.819 -7.347 1.00 0.00 C ATOM 139 C VAL A 9 0.657 -6.539 -8.625 1.00 0.00 C ATOM 140 O VAL A 9 1.634 -7.278 -8.607 1.00 0.00 O ATOM 141 CB VAL A 9 0.918 -4.430 -7.286 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.335 -3.596 -6.142 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.445 -4.478 -7.144 1.00 0.00 C ATOM 0 H VAL A 9 1.687 -6.625 -6.064 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.820 -5.666 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 9 0.695 -3.963 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.818 -2.619 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.737 -3.468 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.508 -4.107 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.839 -3.462 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.709 -5.003 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.873 -5.003 -7.998 1.00 0.00 H new ATOM 153 N GLU A 10 -0.061 -6.311 -9.726 1.00 0.00 N ATOM 154 CA GLU A 10 0.273 -6.929 -11.001 1.00 0.00 C ATOM 155 C GLU A 10 0.664 -5.871 -12.030 1.00 0.00 C ATOM 156 O GLU A 10 0.229 -4.722 -11.948 1.00 0.00 O ATOM 157 CB GLU A 10 -0.861 -7.845 -11.475 1.00 0.00 C ATOM 158 CG GLU A 10 -1.285 -8.853 -10.391 1.00 0.00 C ATOM 159 CD GLU A 10 -0.194 -9.818 -9.928 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.853 -9.897 -10.610 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.445 -10.484 -8.899 1.00 0.00 O ATOM 0 H GLU A 10 -0.878 -5.701 -9.756 1.00 0.00 H new ATOM 0 HA GLU A 10 1.147 -7.566 -10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.720 -7.239 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.541 -8.385 -12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.647 -8.298 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.125 -9.436 -10.770 1.00 0.00 H new ATOM 168 N GLY A 11 1.534 -6.236 -12.978 1.00 0.00 N ATOM 169 CA GLY A 11 1.914 -5.378 -14.099 1.00 0.00 C ATOM 170 C GLY A 11 2.944 -4.301 -13.741 1.00 0.00 C ATOM 171 O GLY A 11 3.720 -3.879 -14.597 1.00 0.00 O ATOM 0 H GLY A 11 1.997 -7.145 -12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.317 -6.000 -14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.020 -4.894 -14.492 1.00 0.00 H new ATOM 175 N MET A 12 2.942 -3.821 -12.496 1.00 0.00 N ATOM 176 CA MET A 12 3.849 -2.779 -12.039 1.00 0.00 C ATOM 177 C MET A 12 5.296 -3.279 -11.969 1.00 0.00 C ATOM 178 O MET A 12 5.773 -3.678 -10.908 1.00 0.00 O ATOM 179 CB MET A 12 3.405 -2.271 -10.669 1.00 0.00 C ATOM 180 CG MET A 12 2.062 -1.533 -10.712 1.00 0.00 C ATOM 181 SD MET A 12 1.340 -1.156 -9.092 1.00 0.00 S ATOM 182 CE MET A 12 2.718 -0.336 -8.259 1.00 0.00 C ATOM 0 H MET A 12 2.302 -4.151 -11.773 1.00 0.00 H new ATOM 0 HA MET A 12 3.814 -1.964 -12.761 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.329 -3.114 -9.982 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.168 -1.603 -10.270 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.195 -0.600 -11.259 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.352 -2.136 -11.278 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.380 0.061 -7.301 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.521 -1.054 -8.092 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.085 0.481 -8.881 1.00 0.00 H new ATOM 192 N THR A 13 5.993 -3.213 -13.100 1.00 0.00 N ATOM 193 CA THR A 13 7.355 -3.712 -13.269 1.00 0.00 C ATOM 194 C THR A 13 8.358 -2.581 -13.555 1.00 0.00 C ATOM 195 O THR A 13 9.519 -2.865 -13.845 1.00 0.00 O ATOM 196 CB THR A 13 7.355 -4.789 -14.370 1.00 0.00 C ATOM 197 OG1 THR A 13 6.187 -5.577 -14.248 1.00 0.00 O ATOM 198 CG2 THR A 13 8.555 -5.739 -14.275 1.00 0.00 C ATOM 0 H THR A 13 5.614 -2.798 -13.951 1.00 0.00 H new ATOM 0 HA THR A 13 7.689 -4.162 -12.334 1.00 0.00 H new ATOM 0 HB THR A 13 7.403 -4.262 -15.323 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.181 -6.263 -14.947 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.500 -6.476 -15.077 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.479 -5.169 -14.369 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.540 -6.249 -13.312 1.00 0.00 H new ATOM 206 N CYS A 14 7.949 -1.307 -13.481 1.00 0.00 N ATOM 207 CA CYS A 14 8.813 -0.168 -13.777 1.00 0.00 C ATOM 208 C CYS A 14 8.774 0.866 -12.648 1.00 0.00 C ATOM 209 O CYS A 14 7.722 1.144 -12.066 1.00 0.00 O ATOM 210 CB CYS A 14 8.458 0.419 -15.149 1.00 0.00 C ATOM 211 SG CYS A 14 6.695 0.558 -15.539 1.00 0.00 S ATOM 0 H CYS A 14 7.002 -1.042 -13.212 1.00 0.00 H new ATOM 0 HA CYS A 14 9.848 -0.507 -13.833 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.902 1.412 -15.220 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.929 -0.197 -15.915 1.00 0.00 H new ATOM 216 N HIS A 15 9.953 1.422 -12.339 1.00 0.00 N ATOM 217 CA HIS A 15 10.178 2.290 -11.187 1.00 0.00 C ATOM 218 C HIS A 15 9.206 3.471 -11.162 1.00 0.00 C ATOM 219 O HIS A 15 8.818 3.944 -10.094 1.00 0.00 O ATOM 220 CB HIS A 15 11.648 2.735 -11.107 1.00 0.00 C ATOM 221 CG HIS A 15 12.230 2.541 -9.727 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.281 3.476 -8.717 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.726 1.366 -9.225 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.808 2.874 -7.636 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.097 1.590 -7.898 1.00 0.00 N ATOM 0 H HIS A 15 10.793 1.274 -12.899 1.00 0.00 H new ATOM 0 HA HIS A 15 9.971 1.708 -10.289 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.236 2.170 -11.830 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.723 3.786 -11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.814 0.433 -9.761 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.976 3.358 -6.685 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.506 0.912 -7.255 1.00 0.00 H new ATOM 233 N SER A 16 8.801 3.934 -12.345 1.00 0.00 N ATOM 234 CA SER A 16 7.749 4.912 -12.522 1.00 0.00 C ATOM 235 C SER A 16 6.523 4.585 -11.668 1.00 0.00 C ATOM 236 O SER A 16 6.091 5.431 -10.891 1.00 0.00 O ATOM 237 CB SER A 16 7.388 4.973 -14.009 1.00 0.00 C ATOM 238 OG SER A 16 8.583 5.026 -14.768 1.00 0.00 O ATOM 0 H SER A 16 9.213 3.625 -13.226 1.00 0.00 H new ATOM 0 HA SER A 16 8.105 5.887 -12.189 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.801 4.099 -14.291 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.773 5.850 -14.212 1.00 0.00 H new ATOM 0 HG SER A 16 8.363 5.064 -15.722 1.00 0.00 H new ATOM 244 N CYS A 17 5.961 3.377 -11.800 1.00 0.00 N ATOM 245 CA CYS A 17 4.688 3.061 -11.169 1.00 0.00 C ATOM 246 C CYS A 17 4.837 3.104 -9.655 1.00 0.00 C ATOM 247 O CYS A 17 4.104 3.825 -8.975 1.00 0.00 O ATOM 248 CB CYS A 17 4.177 1.699 -11.642 1.00 0.00 C ATOM 249 SG CYS A 17 3.876 1.616 -13.421 1.00 0.00 S ATOM 0 H CYS A 17 6.370 2.611 -12.336 1.00 0.00 H new ATOM 0 HA CYS A 17 3.949 3.807 -11.461 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.903 0.933 -11.369 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.253 1.464 -11.114 1.00 0.00 H new ATOM 254 N THR A 18 5.804 2.338 -9.140 1.00 0.00 N ATOM 255 CA THR A 18 6.080 2.320 -7.713 1.00 0.00 C ATOM 256 C THR A 18 6.263 3.751 -7.207 1.00 0.00 C ATOM 257 O THR A 18 5.525 4.170 -6.322 1.00 0.00 O ATOM 258 CB THR A 18 7.226 1.364 -7.322 1.00 0.00 C ATOM 259 OG1 THR A 18 7.606 1.639 -5.992 1.00 0.00 O ATOM 260 CG2 THR A 18 8.469 1.476 -8.194 1.00 0.00 C ATOM 0 H THR A 18 6.403 1.726 -9.694 1.00 0.00 H new ATOM 0 HA THR A 18 5.215 1.897 -7.202 1.00 0.00 H new ATOM 0 HB THR A 18 6.836 0.355 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.776 0.797 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.222 0.768 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.209 1.251 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.867 2.489 -8.132 1.00 0.00 H new ATOM 268 N SER A 19 7.174 4.525 -7.802 1.00 0.00 N ATOM 269 CA SER A 19 7.461 5.888 -7.368 1.00 0.00 C ATOM 270 C SER A 19 6.203 6.762 -7.406 1.00 0.00 C ATOM 271 O SER A 19 5.926 7.476 -6.447 1.00 0.00 O ATOM 272 CB SER A 19 8.582 6.459 -8.245 1.00 0.00 C ATOM 273 OG SER A 19 8.996 7.728 -7.780 1.00 0.00 O ATOM 0 H SER A 19 7.733 4.221 -8.599 1.00 0.00 H new ATOM 0 HA SER A 19 7.794 5.878 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.430 5.775 -8.247 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.236 6.541 -9.275 1.00 0.00 H new ATOM 0 HG SER A 19 9.712 8.069 -8.355 1.00 0.00 H new ATOM 279 N THR A 20 5.418 6.712 -8.485 1.00 0.00 N ATOM 280 CA THR A 20 4.171 7.460 -8.580 1.00 0.00 C ATOM 281 C THR A 20 3.232 7.103 -7.424 1.00 0.00 C ATOM 282 O THR A 20 2.715 7.997 -6.747 1.00 0.00 O ATOM 283 CB THR A 20 3.527 7.223 -9.955 1.00 0.00 C ATOM 284 OG1 THR A 20 4.345 7.796 -10.957 1.00 0.00 O ATOM 285 CG2 THR A 20 2.133 7.849 -10.070 1.00 0.00 C ATOM 0 H THR A 20 5.631 6.153 -9.311 1.00 0.00 H new ATOM 0 HA THR A 20 4.380 8.526 -8.492 1.00 0.00 H new ATOM 0 HB THR A 20 3.429 6.145 -10.079 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.074 7.179 -11.177 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.726 7.651 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.477 7.417 -9.315 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.204 8.926 -9.916 1.00 0.00 H new ATOM 293 N ILE A 21 2.992 5.810 -7.191 1.00 0.00 N ATOM 294 CA ILE A 21 2.108 5.383 -6.128 1.00 0.00 C ATOM 295 C ILE A 21 2.689 5.829 -4.782 1.00 0.00 C ATOM 296 O ILE A 21 1.956 6.354 -3.951 1.00 0.00 O ATOM 297 CB ILE A 21 1.864 3.866 -6.264 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.622 3.550 -7.106 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.696 3.170 -4.927 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.967 3.549 -8.587 1.00 0.00 C ATOM 0 H ILE A 21 3.403 5.048 -7.730 1.00 0.00 H new ATOM 0 HA ILE A 21 1.126 5.852 -6.194 1.00 0.00 H new ATOM 0 HB ILE A 21 2.760 3.492 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.219 2.578 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.156 4.288 -6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.527 2.105 -5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.597 3.308 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.842 3.596 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.073 3.323 -9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.347 4.530 -8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.728 2.794 -8.783 1.00 0.00 H new ATOM 312 N GLU A 22 3.996 5.660 -4.570 1.00 0.00 N ATOM 313 CA GLU A 22 4.686 6.096 -3.366 1.00 0.00 C ATOM 314 C GLU A 22 4.470 7.593 -3.132 1.00 0.00 C ATOM 315 O GLU A 22 4.075 7.998 -2.041 1.00 0.00 O ATOM 316 CB GLU A 22 6.168 5.652 -3.399 1.00 0.00 C ATOM 317 CG GLU A 22 6.361 4.587 -2.309 1.00 0.00 C ATOM 318 CD GLU A 22 7.713 3.890 -2.303 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.683 4.502 -2.796 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.748 2.756 -1.769 1.00 0.00 O ATOM 0 H GLU A 22 4.611 5.207 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 22 4.257 5.605 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.424 5.248 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.826 6.503 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.210 5.056 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.583 3.832 -2.423 1.00 0.00 H new ATOM 327 N GLY A 23 4.655 8.410 -4.169 1.00 0.00 N ATOM 328 CA GLY A 23 4.366 9.830 -4.139 1.00 0.00 C ATOM 329 C GLY A 23 2.928 10.095 -3.696 1.00 0.00 C ATOM 330 O GLY A 23 2.694 10.885 -2.782 1.00 0.00 O ATOM 0 H GLY A 23 5.017 8.090 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.056 10.329 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.528 10.257 -5.129 1.00 0.00 H new ATOM 334 N LYS A 24 1.953 9.458 -4.354 1.00 0.00 N ATOM 335 CA LYS A 24 0.551 9.721 -4.059 1.00 0.00 C ATOM 336 C LYS A 24 0.196 9.268 -2.641 1.00 0.00 C ATOM 337 O LYS A 24 -0.243 10.058 -1.806 1.00 0.00 O ATOM 338 CB LYS A 24 -0.363 9.075 -5.119 1.00 0.00 C ATOM 339 CG LYS A 24 -1.649 9.894 -5.324 1.00 0.00 C ATOM 340 CD LYS A 24 -1.399 11.123 -6.215 1.00 0.00 C ATOM 341 CE LYS A 24 -2.725 11.766 -6.649 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.514 12.998 -7.439 1.00 0.00 N ATOM 0 H LYS A 24 2.112 8.765 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 24 0.386 10.797 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.174 8.994 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.620 8.062 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.414 9.264 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.034 10.217 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.797 11.853 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.828 10.828 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.298 11.051 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.320 12.000 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.435 13.398 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.990 13.691 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.969 12.772 -8.295 1.00 0.00 H new ATOM 356 N ILE A 25 0.374 7.977 -2.382 1.00 0.00 N ATOM 357 CA ILE A 25 -0.040 7.331 -1.148 1.00 0.00 C ATOM 358 C ILE A 25 0.782 7.857 0.031 1.00 0.00 C ATOM 359 O ILE A 25 0.269 7.973 1.143 1.00 0.00 O ATOM 360 CB ILE A 25 -0.029 5.798 -1.291 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.849 5.291 -2.484 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.452 5.098 0.008 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.342 5.484 -2.286 1.00 0.00 C ATOM 0 H ILE A 25 0.820 7.339 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.077 7.590 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 25 1.008 5.533 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.534 5.815 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.640 4.233 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.430 4.018 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.236 5.370 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.462 5.408 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.876 5.109 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.665 4.937 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.558 6.545 -2.157 1.00 0.00 H new ATOM 375 N GLY A 26 2.030 8.259 -0.218 1.00 0.00 N ATOM 376 CA GLY A 26 2.838 8.986 0.747 1.00 0.00 C ATOM 377 C GLY A 26 2.094 10.168 1.371 1.00 0.00 C ATOM 378 O GLY A 26 2.377 10.527 2.511 1.00 0.00 O ATOM 0 H GLY A 26 2.506 8.085 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.155 8.304 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.742 9.349 0.258 1.00 0.00 H new ATOM 382 N LYS A 27 1.147 10.782 0.647 1.00 0.00 N ATOM 383 CA LYS A 27 0.407 11.931 1.112 1.00 0.00 C ATOM 384 C LYS A 27 -0.913 11.548 1.810 1.00 0.00 C ATOM 385 O LYS A 27 -1.701 12.437 2.129 1.00 0.00 O ATOM 386 CB LYS A 27 0.233 12.872 -0.095 1.00 0.00 C ATOM 387 CG LYS A 27 -0.282 14.234 0.362 1.00 0.00 C ATOM 388 CD LYS A 27 0.060 15.390 -0.587 1.00 0.00 C ATOM 389 CE LYS A 27 -0.137 16.710 0.177 1.00 0.00 C ATOM 390 NZ LYS A 27 0.068 17.901 -0.672 1.00 0.00 N ATOM 0 H LYS A 27 0.881 10.479 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 27 0.956 12.452 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.185 12.991 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.464 12.433 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.365 14.181 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.131 14.454 1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.088 15.303 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.581 15.361 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.144 16.736 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.557 16.745 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.078 18.761 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.037 17.895 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.611 17.887 -1.460 1.00 0.00 H new ATOM 404 N LEU A 28 -1.193 10.265 2.074 1.00 0.00 N ATOM 405 CA LEU A 28 -2.396 9.904 2.808 1.00 0.00 C ATOM 406 C LEU A 28 -2.314 10.336 4.275 1.00 0.00 C ATOM 407 O LEU A 28 -1.239 10.540 4.832 1.00 0.00 O ATOM 408 CB LEU A 28 -2.655 8.403 2.730 1.00 0.00 C ATOM 409 CG LEU A 28 -3.019 7.858 1.338 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.002 6.700 1.510 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.622 8.866 0.349 1.00 0.00 C ATOM 0 H LEU A 28 -0.609 9.477 1.793 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.225 10.434 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.765 7.881 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.463 8.157 3.419 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.070 7.557 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.270 6.302 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.538 5.914 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.900 7.057 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.837 8.365 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.545 9.273 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.913 9.676 0.177 1.00 0.00 H new ATOM 423 N GLN A 29 -3.490 10.439 4.899 1.00 0.00 N ATOM 424 CA GLN A 29 -3.682 10.887 6.270 1.00 0.00 C ATOM 425 C GLN A 29 -3.957 9.679 7.176 1.00 0.00 C ATOM 426 O GLN A 29 -5.104 9.341 7.450 1.00 0.00 O ATOM 427 CB GLN A 29 -4.763 11.980 6.286 1.00 0.00 C ATOM 428 CG GLN A 29 -6.157 11.465 5.888 1.00 0.00 C ATOM 429 CD GLN A 29 -7.027 12.478 5.148 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.569 13.527 4.706 1.00 0.00 O ATOM 431 NE2 GLN A 29 -8.306 12.157 4.977 1.00 0.00 N ATOM 0 H GLN A 29 -4.368 10.201 4.438 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.783 11.347 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.815 12.414 7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.471 12.780 5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.037 10.583 5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.682 11.146 6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.666 11.280 5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.927 12.788 4.470 1.00 0.00 H new ATOM 440 N GLY A 30 -2.894 9.002 7.616 1.00 0.00 N ATOM 441 CA GLY A 30 -3.006 7.748 8.368 1.00 0.00 C ATOM 442 C GLY A 30 -1.909 6.714 8.102 1.00 0.00 C ATOM 443 O GLY A 30 -2.069 5.560 8.507 1.00 0.00 O ATOM 0 H GLY A 30 -1.933 9.306 7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.008 7.983 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.970 7.294 8.140 1.00 0.00 H new ATOM 447 N VAL A 31 -0.826 7.100 7.416 1.00 0.00 N ATOM 448 CA VAL A 31 0.265 6.236 7.020 1.00 0.00 C ATOM 449 C VAL A 31 1.578 6.799 7.544 1.00 0.00 C ATOM 450 O VAL A 31 1.879 7.962 7.272 1.00 0.00 O ATOM 451 CB VAL A 31 0.274 6.207 5.474 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.628 5.873 4.837 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.768 5.204 4.996 1.00 0.00 C ATOM 0 H VAL A 31 -0.692 8.065 7.115 1.00 0.00 H new ATOM 0 HA VAL A 31 0.144 5.231 7.425 1.00 0.00 H new ATOM 0 HB VAL A 31 0.045 7.223 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.530 5.877 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.365 6.617 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.952 4.886 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.771 5.174 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.526 4.215 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.753 5.504 5.354 1.00 0.00 H new ATOM 463 N GLN A 32 2.380 5.983 8.233 1.00 0.00 N ATOM 464 CA GLN A 32 3.727 6.378 8.617 1.00 0.00 C ATOM 465 C GLN A 32 4.755 6.089 7.519 1.00 0.00 C ATOM 466 O GLN A 32 5.716 6.840 7.378 1.00 0.00 O ATOM 467 CB GLN A 32 4.115 5.740 9.957 1.00 0.00 C ATOM 468 CG GLN A 32 4.507 4.260 9.869 1.00 0.00 C ATOM 469 CD GLN A 32 4.897 3.675 11.226 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.672 4.259 12.280 1.00 0.00 O ATOM 471 NE2 GLN A 32 5.535 2.507 11.216 1.00 0.00 N ATOM 0 H GLN A 32 2.115 5.045 8.534 1.00 0.00 H new ATOM 0 HA GLN A 32 3.729 7.460 8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.949 6.299 10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.278 5.840 10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.673 3.691 9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.341 4.149 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.716 2.032 10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.843 2.087 12.093 1.00 0.00 H new ATOM 480 N ARG A 33 4.612 4.979 6.781 1.00 0.00 N ATOM 481 CA ARG A 33 5.618 4.504 5.845 1.00 0.00 C ATOM 482 C ARG A 33 4.933 3.678 4.775 1.00 0.00 C ATOM 483 O ARG A 33 3.768 3.309 4.880 1.00 0.00 O ATOM 484 CB ARG A 33 6.696 3.665 6.558 1.00 0.00 C ATOM 485 CG ARG A 33 7.954 4.493 6.845 1.00 0.00 C ATOM 486 CD ARG A 33 8.998 3.644 7.577 1.00 0.00 C ATOM 487 NE ARG A 33 10.320 4.285 7.526 1.00 0.00 N ATOM 488 CZ ARG A 33 11.426 3.816 8.127 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.342 2.749 8.930 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.606 4.408 7.913 1.00 0.00 N ATOM 0 H ARG A 33 3.783 4.386 6.824 1.00 0.00 H new ATOM 0 HA ARG A 33 6.118 5.362 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.295 3.275 7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.958 2.806 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.371 4.868 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.695 5.362 7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.697 3.504 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.051 2.654 7.124 1.00 0.00 H new ATOM 0 HE ARG A 33 10.404 5.151 6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.441 2.296 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.179 2.389 9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.666 5.216 7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.446 4.052 8.370 1.00 0.00 H new ATOM 504 N ILE A 34 5.683 3.385 3.728 1.00 0.00 N ATOM 505 CA ILE A 34 5.224 2.725 2.551 1.00 0.00 C ATOM 506 C ILE A 34 6.486 2.122 1.941 1.00 0.00 C ATOM 507 O ILE A 34 7.564 2.704 2.075 1.00 0.00 O ATOM 508 CB ILE A 34 4.484 3.761 1.692 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.146 3.118 0.357 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.249 5.080 1.485 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.019 3.849 -0.377 1.00 0.00 C ATOM 0 H ILE A 34 6.675 3.619 3.688 1.00 0.00 H new ATOM 0 HA ILE A 34 4.502 1.921 2.695 1.00 0.00 H new ATOM 0 HB ILE A 34 3.582 4.048 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.036 3.105 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.856 2.080 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.654 5.753 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.438 5.547 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.198 4.876 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.817 3.349 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.119 3.840 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.317 4.880 -0.567 1.00 0.00 H new ATOM 523 N LYS A 35 6.370 0.916 1.391 1.00 0.00 N ATOM 524 CA LYS A 35 7.446 0.222 0.710 1.00 0.00 C ATOM 525 C LYS A 35 6.912 -0.508 -0.532 1.00 0.00 C ATOM 526 O LYS A 35 6.619 -1.703 -0.482 1.00 0.00 O ATOM 527 CB LYS A 35 8.246 -0.662 1.686 1.00 0.00 C ATOM 528 CG LYS A 35 9.474 -0.012 2.330 1.00 0.00 C ATOM 529 CD LYS A 35 10.536 0.311 1.272 1.00 0.00 C ATOM 530 CE LYS A 35 11.895 0.658 1.894 1.00 0.00 C ATOM 531 NZ LYS A 35 12.624 -0.545 2.346 1.00 0.00 N ATOM 0 H LYS A 35 5.499 0.385 1.410 1.00 0.00 H new ATOM 0 HA LYS A 35 8.170 0.946 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.575 -0.991 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.570 -1.556 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.179 0.901 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.894 -0.681 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.652 -0.543 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.195 1.147 0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.501 1.195 1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.745 1.329 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.536 -0.263 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.059 -1.045 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.791 -1.175 1.535 1.00 0.00 H new ATOM 545 N VAL A 36 6.763 0.211 -1.644 1.00 0.00 N ATOM 546 CA VAL A 36 6.165 -0.312 -2.867 1.00 0.00 C ATOM 547 C VAL A 36 7.256 -0.964 -3.719 1.00 0.00 C ATOM 548 O VAL A 36 8.181 -0.280 -4.155 1.00 0.00 O ATOM 549 CB VAL A 36 5.423 0.823 -3.590 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.800 0.365 -4.912 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.282 1.345 -2.710 1.00 0.00 C ATOM 0 H VAL A 36 7.058 1.184 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 36 5.428 -1.085 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 36 6.164 1.596 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.288 1.204 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.583 -0.001 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.085 -0.435 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.761 2.149 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.583 0.535 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.689 1.723 -1.772 1.00 0.00 H new ATOM 561 N SER A 37 7.177 -2.278 -3.967 1.00 0.00 N ATOM 562 CA SER A 37 8.170 -2.969 -4.769 1.00 0.00 C ATOM 563 C SER A 37 7.641 -3.089 -6.198 1.00 0.00 C ATOM 564 O SER A 37 6.585 -2.552 -6.533 1.00 0.00 O ATOM 565 CB SER A 37 8.490 -4.329 -4.144 1.00 0.00 C ATOM 566 OG SER A 37 8.557 -4.241 -2.731 1.00 0.00 O ATOM 0 H SER A 37 6.429 -2.877 -3.618 1.00 0.00 H new ATOM 0 HA SER A 37 9.105 -2.410 -4.799 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.726 -5.052 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.439 -4.697 -4.533 1.00 0.00 H new ATOM 0 HG SER A 37 8.761 -5.124 -2.358 1.00 0.00 H new ATOM 572 N LEU A 38 8.383 -3.806 -7.039 1.00 0.00 N ATOM 573 CA LEU A 38 8.040 -4.048 -8.423 1.00 0.00 C ATOM 574 C LEU A 38 8.550 -5.424 -8.842 1.00 0.00 C ATOM 575 O LEU A 38 7.793 -6.228 -9.377 1.00 0.00 O ATOM 576 CB LEU A 38 8.537 -2.914 -9.323 1.00 0.00 C ATOM 577 CG LEU A 38 10.025 -2.543 -9.276 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.269 -1.509 -10.375 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.446 -1.951 -7.927 1.00 0.00 C ATOM 0 H LEU A 38 9.262 -4.243 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 38 6.956 -4.056 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.293 -3.176 -10.352 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.964 -2.020 -9.077 1.00 0.00 H new ATOM 0 HG LEU A 38 10.615 -3.448 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.320 -1.218 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.012 -1.939 -11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.650 -0.631 -10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.508 -1.708 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.871 -1.046 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.259 -2.678 -7.136 1.00 0.00 H new ATOM 591 N ASP A 39 9.814 -5.723 -8.526 1.00 0.00 N ATOM 592 CA ASP A 39 10.485 -6.981 -8.822 1.00 0.00 C ATOM 593 C ASP A 39 9.602 -8.157 -8.451 1.00 0.00 C ATOM 594 O ASP A 39 9.313 -9.030 -9.266 1.00 0.00 O ATOM 595 CB ASP A 39 11.787 -7.103 -8.007 1.00 0.00 C ATOM 596 CG ASP A 39 12.610 -5.824 -7.956 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.043 -4.832 -7.439 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.767 -5.860 -8.420 1.00 0.00 O ATOM 0 H ASP A 39 10.418 -5.063 -8.036 1.00 0.00 H new ATOM 0 HA ASP A 39 10.702 -6.991 -9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.539 -7.404 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.397 -7.898 -8.434 1.00 0.00 H new ATOM 603 N ASN A 40 9.190 -8.163 -7.182 1.00 0.00 N ATOM 604 CA ASN A 40 8.411 -9.244 -6.611 1.00 0.00 C ATOM 605 C ASN A 40 6.910 -8.932 -6.699 1.00 0.00 C ATOM 606 O ASN A 40 6.120 -9.487 -5.943 1.00 0.00 O ATOM 607 CB ASN A 40 8.886 -9.534 -5.189 1.00 0.00 C ATOM 608 CG ASN A 40 8.805 -11.019 -4.830 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.851 -11.714 -5.153 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.843 -11.540 -4.179 1.00 0.00 N ATOM 0 H ASN A 40 9.393 -7.410 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 40 8.566 -10.156 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.915 -9.193 -5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.283 -8.961 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.851 -12.532 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.630 -10.947 -3.917 1.00 0.00 H new ATOM 617 N GLN A 41 6.537 -7.997 -7.586 1.00 0.00 N ATOM 618 CA GLN A 41 5.190 -7.496 -7.829 1.00 0.00 C ATOM 619 C GLN A 41 4.359 -7.395 -6.538 1.00 0.00 C ATOM 620 O GLN A 41 3.317 -8.030 -6.373 1.00 0.00 O ATOM 621 CB GLN A 41 4.559 -8.301 -8.993 1.00 0.00 C ATOM 622 CG GLN A 41 4.374 -7.435 -10.249 1.00 0.00 C ATOM 623 CD GLN A 41 4.195 -8.257 -11.526 1.00 0.00 C ATOM 624 OE1 GLN A 41 5.022 -8.176 -12.429 1.00 0.00 O ATOM 625 NE2 GLN A 41 3.136 -9.050 -11.670 1.00 0.00 N ATOM 0 H GLN A 41 7.222 -7.544 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 41 5.220 -6.458 -8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.193 -9.155 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.594 -8.698 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.505 -6.791 -10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.239 -6.782 -10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.446 -9.120 -10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.014 -9.587 -12.528 1.00 0.00 H new ATOM 634 N GLU A 42 4.823 -6.567 -5.594 1.00 0.00 N ATOM 635 CA GLU A 42 4.202 -6.463 -4.286 1.00 0.00 C ATOM 636 C GLU A 42 4.431 -5.063 -3.747 1.00 0.00 C ATOM 637 O GLU A 42 5.385 -4.394 -4.140 1.00 0.00 O ATOM 638 CB GLU A 42 4.743 -7.555 -3.348 1.00 0.00 C ATOM 639 CG GLU A 42 3.985 -7.592 -2.013 1.00 0.00 C ATOM 640 CD GLU A 42 4.366 -8.794 -1.161 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.491 -8.761 -0.619 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.495 -9.676 -0.997 1.00 0.00 O ATOM 0 H GLU A 42 5.632 -5.959 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 42 3.127 -6.626 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.663 -8.526 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.802 -7.379 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.189 -6.677 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.913 -7.614 -2.208 1.00 0.00 H new ATOM 649 N ALA A 43 3.544 -4.616 -2.862 1.00 0.00 N ATOM 650 CA ALA A 43 3.613 -3.322 -2.232 1.00 0.00 C ATOM 651 C ALA A 43 3.300 -3.452 -0.744 1.00 0.00 C ATOM 652 O ALA A 43 2.320 -4.082 -0.351 1.00 0.00 O ATOM 653 CB ALA A 43 2.683 -2.357 -2.972 1.00 0.00 C ATOM 0 H ALA A 43 2.740 -5.167 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 43 4.620 -2.909 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.729 -1.375 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.996 -2.276 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.661 -2.732 -2.929 1.00 0.00 H new ATOM 659 N THR A 44 4.169 -2.874 0.081 1.00 0.00 N ATOM 660 CA THR A 44 3.996 -2.705 1.511 1.00 0.00 C ATOM 661 C THR A 44 3.371 -1.338 1.725 1.00 0.00 C ATOM 662 O THR A 44 3.876 -0.359 1.178 1.00 0.00 O ATOM 663 CB THR A 44 5.382 -2.718 2.167 1.00 0.00 C ATOM 664 OG1 THR A 44 6.064 -3.908 1.811 1.00 0.00 O ATOM 665 CG2 THR A 44 5.280 -2.615 3.693 1.00 0.00 C ATOM 0 H THR A 44 5.055 -2.494 -0.252 1.00 0.00 H new ATOM 0 HA THR A 44 3.374 -3.493 1.935 1.00 0.00 H new ATOM 0 HB THR A 44 5.937 -1.851 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.029 -3.739 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.280 -2.627 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.779 -1.685 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.708 -3.460 4.077 1.00 0.00 H new ATOM 673 N ILE A 45 2.330 -1.252 2.547 1.00 0.00 N ATOM 674 CA ILE A 45 1.789 0.023 2.988 1.00 0.00 C ATOM 675 C ILE A 45 1.766 -0.040 4.509 1.00 0.00 C ATOM 676 O ILE A 45 1.230 -1.010 5.048 1.00 0.00 O ATOM 677 CB ILE A 45 0.387 0.233 2.397 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.329 0.062 0.867 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.130 1.617 2.794 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.973 1.190 0.077 1.00 0.00 C ATOM 0 H ILE A 45 1.841 -2.064 2.924 1.00 0.00 H new ATOM 0 HA ILE A 45 2.390 0.868 2.652 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.251 -0.547 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.818 -0.875 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.714 -0.026 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.125 1.768 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.179 1.689 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.545 2.382 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.884 0.984 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.470 2.129 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.027 1.267 0.345 1.00 0.00 H new ATOM 692 N VAL A 46 2.379 0.931 5.197 1.00 0.00 N ATOM 693 CA VAL A 46 2.374 0.942 6.658 1.00 0.00 C ATOM 694 C VAL A 46 1.349 1.963 7.136 1.00 0.00 C ATOM 695 O VAL A 46 1.470 3.132 6.776 1.00 0.00 O ATOM 696 CB VAL A 46 3.770 1.224 7.235 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.810 0.702 8.672 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.869 0.531 6.425 1.00 0.00 C ATOM 0 H VAL A 46 2.879 1.710 4.768 1.00 0.00 H new ATOM 0 HA VAL A 46 2.094 -0.047 7.021 1.00 0.00 H new ATOM 0 HB VAL A 46 3.951 2.298 7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.794 0.892 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.051 1.211 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.614 -0.370 8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.841 0.755 6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.705 -0.547 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.845 0.891 5.396 1.00 0.00 H new ATOM 708 N TYR A 47 0.330 1.531 7.887 1.00 0.00 N ATOM 709 CA TYR A 47 -0.772 2.404 8.258 1.00 0.00 C ATOM 710 C TYR A 47 -1.271 2.172 9.671 1.00 0.00 C ATOM 711 O TYR A 47 -1.081 1.100 10.249 1.00 0.00 O ATOM 712 CB TYR A 47 -1.944 2.225 7.280 1.00 0.00 C ATOM 713 CG TYR A 47 -2.910 1.104 7.652 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.456 -0.227 7.726 1.00 0.00 C ATOM 715 CD2 TYR A 47 -4.199 1.417 8.125 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.284 -1.227 8.268 1.00 0.00 C ATOM 717 CE2 TYR A 47 -5.050 0.402 8.594 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.588 -0.917 8.681 1.00 0.00 C ATOM 719 OH TYR A 47 -5.408 -1.890 9.170 1.00 0.00 O ATOM 0 H TYR A 47 0.252 0.580 8.247 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.382 3.421 8.211 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.499 3.161 7.221 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.544 2.028 6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.470 -0.481 7.366 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.535 2.443 8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.914 -2.237 8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.062 0.639 8.888 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.274 -1.498 9.409 1.00 0.00 H new ATOM 729 N GLN A 48 -1.980 3.175 10.184 1.00 0.00 N ATOM 730 CA GLN A 48 -2.505 3.157 11.532 1.00 0.00 C ATOM 731 C GLN A 48 -3.985 2.749 11.528 1.00 0.00 C ATOM 732 O GLN A 48 -4.809 3.495 10.990 1.00 0.00 O ATOM 733 CB GLN A 48 -2.296 4.537 12.153 1.00 0.00 C ATOM 734 CG GLN A 48 -2.392 4.418 13.686 1.00 0.00 C ATOM 735 CD GLN A 48 -1.700 5.543 14.453 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.545 6.657 13.971 1.00 0.00 O ATOM 737 NE2 GLN A 48 -1.287 5.257 15.687 1.00 0.00 N ATOM 0 H GLN A 48 -2.203 4.025 9.666 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.976 2.417 12.133 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.322 4.935 11.867 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.047 5.234 11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.444 4.395 13.971 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.958 3.466 13.992 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.427 4.321 16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.831 5.974 16.251 1.00 0.00 H new ATOM 746 N PRO A 49 -4.349 1.605 12.139 1.00 0.00 N ATOM 747 CA PRO A 49 -5.720 1.113 12.178 1.00 0.00 C ATOM 748 C PRO A 49 -6.574 1.973 13.118 1.00 0.00 C ATOM 749 O PRO A 49 -6.928 1.556 14.218 1.00 0.00 O ATOM 750 CB PRO A 49 -5.616 -0.348 12.635 1.00 0.00 C ATOM 751 CG PRO A 49 -4.368 -0.341 13.514 1.00 0.00 C ATOM 752 CD PRO A 49 -3.461 0.663 12.806 1.00 0.00 C ATOM 0 HA PRO A 49 -6.215 1.172 11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.500 -0.662 13.190 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.512 -1.029 11.791 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.594 -0.032 14.535 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.910 -1.328 13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.814 1.174 13.519 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.812 0.163 12.087 1.00 0.00 H new ATOM 760 N HIS A 50 -6.894 3.187 12.669 1.00 0.00 N ATOM 761 CA HIS A 50 -7.717 4.166 13.366 1.00 0.00 C ATOM 762 C HIS A 50 -7.955 5.376 12.464 1.00 0.00 C ATOM 763 O HIS A 50 -9.064 5.900 12.428 1.00 0.00 O ATOM 764 CB HIS A 50 -7.081 4.594 14.703 1.00 0.00 C ATOM 765 CG HIS A 50 -7.807 4.055 15.912 1.00 0.00 C ATOM 766 ND1 HIS A 50 -9.128 4.285 16.225 1.00 0.00 N ATOM 767 CD2 HIS A 50 -7.275 3.278 16.906 1.00 0.00 C ATOM 768 CE1 HIS A 50 -9.383 3.657 17.387 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.285 3.035 17.844 1.00 0.00 N ATOM 0 H HIS A 50 -6.568 3.527 11.764 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.675 3.703 13.601 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.045 4.255 14.729 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.061 5.683 14.756 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.258 2.917 16.957 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.341 3.654 17.885 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.203 2.493 18.704 1.00 0.00 H new ATOM 777 N LEU A 51 -6.916 5.832 11.756 1.00 0.00 N ATOM 778 CA LEU A 51 -7.019 7.015 10.910 1.00 0.00 C ATOM 779 C LEU A 51 -7.627 6.670 9.552 1.00 0.00 C ATOM 780 O LEU A 51 -8.449 7.426 9.041 1.00 0.00 O ATOM 781 CB LEU A 51 -5.669 7.711 10.745 1.00 0.00 C ATOM 782 CG LEU A 51 -5.182 8.400 12.039 1.00 0.00 C ATOM 783 CD1 LEU A 51 -4.358 7.473 12.934 1.00 0.00 C ATOM 784 CD2 LEU A 51 -4.314 9.623 11.714 1.00 0.00 C ATOM 0 H LEU A 51 -5.994 5.395 11.756 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.688 7.715 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.926 6.979 10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.744 8.454 9.951 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.087 8.693 12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.044 8.014 13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.963 6.614 13.224 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.478 7.130 12.390 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.983 10.091 12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.445 9.309 11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.896 10.339 11.134 1.00 0.00 H new ATOM 796 N ILE A 52 -7.199 5.553 8.958 1.00 0.00 N ATOM 797 CA ILE A 52 -7.553 5.149 7.613 1.00 0.00 C ATOM 798 C ILE A 52 -7.655 3.618 7.606 1.00 0.00 C ATOM 799 O ILE A 52 -7.114 2.989 8.517 1.00 0.00 O ATOM 800 CB ILE A 52 -6.470 5.714 6.667 1.00 0.00 C ATOM 801 CG1 ILE A 52 -7.120 6.292 5.417 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.381 4.714 6.268 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.347 7.799 5.544 1.00 0.00 C ATOM 0 H ILE A 52 -6.578 4.891 9.422 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.514 5.535 7.272 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.963 6.492 7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.488 6.091 4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.073 5.794 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.666 5.200 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.865 4.362 7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.835 3.867 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.812 8.175 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.000 7.998 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.391 8.299 5.696 1.00 0.00 H new ATOM 815 N SER A 53 -8.348 3.016 6.632 1.00 0.00 N ATOM 816 CA SER A 53 -8.601 1.576 6.608 1.00 0.00 C ATOM 817 C SER A 53 -8.011 0.907 5.363 1.00 0.00 C ATOM 818 O SER A 53 -7.626 1.573 4.401 1.00 0.00 O ATOM 819 CB SER A 53 -10.111 1.317 6.692 1.00 0.00 C ATOM 820 OG SER A 53 -10.740 1.674 5.481 1.00 0.00 O ATOM 0 H SER A 53 -8.748 3.517 5.839 1.00 0.00 H new ATOM 0 HA SER A 53 -8.105 1.134 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.294 0.264 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.539 1.890 7.514 1.00 0.00 H new ATOM 0 HG SER A 53 -10.377 2.527 5.163 1.00 0.00 H new ATOM 826 N VAL A 54 -7.991 -0.434 5.378 1.00 0.00 N ATOM 827 CA VAL A 54 -7.623 -1.284 4.251 1.00 0.00 C ATOM 828 C VAL A 54 -8.266 -0.790 2.951 1.00 0.00 C ATOM 829 O VAL A 54 -7.588 -0.653 1.930 1.00 0.00 O ATOM 830 CB VAL A 54 -8.026 -2.740 4.552 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.912 -3.632 3.309 1.00 0.00 C ATOM 832 CG2 VAL A 54 -7.132 -3.329 5.650 1.00 0.00 C ATOM 0 H VAL A 54 -8.241 -0.970 6.209 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.543 -1.238 4.113 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.065 -2.717 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.205 -4.650 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.568 -3.251 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.882 -3.629 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.431 -4.358 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.093 -3.310 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.236 -2.738 6.560 1.00 0.00 H new ATOM 842 N GLU A 55 -9.581 -0.556 2.985 1.00 0.00 N ATOM 843 CA GLU A 55 -10.321 -0.225 1.783 1.00 0.00 C ATOM 844 C GLU A 55 -9.886 1.133 1.238 1.00 0.00 C ATOM 845 O GLU A 55 -9.687 1.239 0.041 1.00 0.00 O ATOM 846 CB GLU A 55 -11.828 -0.324 2.005 1.00 0.00 C ATOM 847 CG GLU A 55 -12.618 -0.218 0.695 1.00 0.00 C ATOM 848 CD GLU A 55 -13.214 -1.540 0.233 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.409 -2.467 -0.007 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.454 -1.586 0.092 1.00 0.00 O ATOM 0 H GLU A 55 -10.146 -0.592 3.834 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.083 -0.964 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.060 -1.272 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.146 0.468 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.421 0.508 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.961 0.167 -0.085 1.00 0.00 H new ATOM 857 N GLU A 56 -9.687 2.164 2.065 1.00 0.00 N ATOM 858 CA GLU A 56 -9.118 3.421 1.619 1.00 0.00 C ATOM 859 C GLU A 56 -7.864 3.127 0.805 1.00 0.00 C ATOM 860 O GLU A 56 -7.756 3.566 -0.336 1.00 0.00 O ATOM 861 CB GLU A 56 -8.802 4.316 2.828 1.00 0.00 C ATOM 862 CG GLU A 56 -9.933 5.269 3.206 1.00 0.00 C ATOM 863 CD GLU A 56 -10.850 4.694 4.272 1.00 0.00 C ATOM 864 OE1 GLU A 56 -10.300 4.267 5.311 1.00 0.00 O ATOM 865 OE2 GLU A 56 -12.071 4.656 4.023 1.00 0.00 O ATOM 0 H GLU A 56 -9.918 2.142 3.058 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.831 3.956 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.572 3.683 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.906 4.899 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.508 6.207 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.518 5.503 2.317 1.00 0.00 H new ATOM 872 N MET A 57 -6.938 2.348 1.367 1.00 0.00 N ATOM 873 CA MET A 57 -5.722 1.999 0.667 1.00 0.00 C ATOM 874 C MET A 57 -6.028 1.344 -0.685 1.00 0.00 C ATOM 875 O MET A 57 -5.666 1.889 -1.725 1.00 0.00 O ATOM 876 CB MET A 57 -4.793 1.167 1.545 1.00 0.00 C ATOM 877 CG MET A 57 -4.965 1.388 3.050 1.00 0.00 C ATOM 878 SD MET A 57 -3.472 1.278 4.039 1.00 0.00 S ATOM 879 CE MET A 57 -2.936 2.977 3.782 1.00 0.00 C ATOM 0 H MET A 57 -7.016 1.952 2.304 1.00 0.00 H new ATOM 0 HA MET A 57 -5.180 2.918 0.443 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.957 0.112 1.326 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.761 1.392 1.274 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.407 2.372 3.204 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.680 0.656 3.425 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.929 3.105 4.179 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.937 3.201 2.715 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.617 3.655 4.296 1.00 0.00 H new ATOM 889 N LYS A 58 -6.709 0.193 -0.698 1.00 0.00 N ATOM 890 CA LYS A 58 -7.022 -0.480 -1.952 1.00 0.00 C ATOM 891 C LYS A 58 -7.809 0.406 -2.899 1.00 0.00 C ATOM 892 O LYS A 58 -7.357 0.628 -4.008 1.00 0.00 O ATOM 893 CB LYS A 58 -7.626 -1.861 -1.723 1.00 0.00 C ATOM 894 CG LYS A 58 -8.545 -2.394 -2.829 1.00 0.00 C ATOM 895 CD LYS A 58 -10.035 -2.185 -2.495 1.00 0.00 C ATOM 896 CE LYS A 58 -10.878 -1.995 -3.763 1.00 0.00 C ATOM 897 NZ LYS A 58 -10.941 -3.217 -4.589 1.00 0.00 N ATOM 0 H LYS A 58 -7.048 -0.283 0.138 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.082 -0.668 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.811 -2.572 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.191 -1.837 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.310 -1.892 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.353 -3.456 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.407 -3.044 -1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.145 -1.313 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.888 -1.698 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.459 -1.181 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.214 -2.966 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.009 -3.677 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.645 -3.870 -4.190 1.00 0.00 H new ATOM 911 N LYS A 59 -8.972 0.901 -2.505 1.00 0.00 N ATOM 912 CA LYS A 59 -9.815 1.749 -3.326 1.00 0.00 C ATOM 913 C LYS A 59 -8.968 2.849 -3.957 1.00 0.00 C ATOM 914 O LYS A 59 -9.015 3.028 -5.171 1.00 0.00 O ATOM 915 CB LYS A 59 -10.984 2.285 -2.490 1.00 0.00 C ATOM 916 CG LYS A 59 -12.272 2.543 -3.287 1.00 0.00 C ATOM 917 CD LYS A 59 -12.315 3.923 -3.954 1.00 0.00 C ATOM 918 CE LYS A 59 -12.702 5.004 -2.934 1.00 0.00 C ATOM 919 NZ LYS A 59 -12.644 6.361 -3.514 1.00 0.00 N ATOM 0 H LYS A 59 -9.364 0.718 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.254 1.179 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.201 1.573 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.676 3.214 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.375 1.775 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.128 2.444 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.341 4.155 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.034 3.915 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.709 4.810 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.033 4.948 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.913 7.059 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.677 6.557 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.302 6.424 -4.317 1.00 0.00 H new ATOM 933 N GLN A 60 -8.161 3.553 -3.159 1.00 0.00 N ATOM 934 CA GLN A 60 -7.294 4.586 -3.721 1.00 0.00 C ATOM 935 C GLN A 60 -6.276 4.002 -4.715 1.00 0.00 C ATOM 936 O GLN A 60 -6.042 4.582 -5.772 1.00 0.00 O ATOM 937 CB GLN A 60 -6.585 5.333 -2.598 1.00 0.00 C ATOM 938 CG GLN A 60 -7.569 6.108 -1.706 1.00 0.00 C ATOM 939 CD GLN A 60 -7.994 7.452 -2.284 1.00 0.00 C ATOM 940 OE1 GLN A 60 -8.824 7.514 -3.188 1.00 0.00 O ATOM 941 NE2 GLN A 60 -7.465 8.545 -1.739 1.00 0.00 N ATOM 0 H GLN A 60 -8.091 3.431 -2.149 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.919 5.284 -4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.026 4.624 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.861 6.026 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.456 5.496 -1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.110 6.271 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.778 8.460 -0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.747 9.468 -2.070 1.00 0.00 H new ATOM 950 N ILE A 61 -5.642 2.878 -4.374 1.00 0.00 N ATOM 951 CA ILE A 61 -4.621 2.254 -5.207 1.00 0.00 C ATOM 952 C ILE A 61 -5.248 1.656 -6.466 1.00 0.00 C ATOM 953 O ILE A 61 -4.954 2.122 -7.563 1.00 0.00 O ATOM 954 CB ILE A 61 -3.790 1.263 -4.383 1.00 0.00 C ATOM 955 CG1 ILE A 61 -3.002 2.109 -3.365 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.841 0.464 -5.292 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.199 1.266 -2.385 1.00 0.00 C ATOM 0 H ILE A 61 -5.826 2.375 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.917 3.008 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.423 0.533 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.326 2.776 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.697 2.739 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.260 -0.233 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.423 -0.091 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.166 1.149 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.666 1.920 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.873 0.618 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.481 0.656 -2.933 1.00 0.00 H new ATOM 969 N GLU A 62 -6.121 0.654 -6.332 1.00 0.00 N ATOM 970 CA GLU A 62 -6.899 0.120 -7.431 1.00 0.00 C ATOM 971 C GLU A 62 -7.478 1.215 -8.331 1.00 0.00 C ATOM 972 O GLU A 62 -7.435 1.063 -9.550 1.00 0.00 O ATOM 973 CB GLU A 62 -8.011 -0.763 -6.847 1.00 0.00 C ATOM 974 CG GLU A 62 -7.960 -2.182 -7.396 1.00 0.00 C ATOM 975 CD GLU A 62 -9.062 -3.003 -6.755 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.255 -2.731 -7.019 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.746 -3.785 -5.831 1.00 0.00 O ATOM 0 H GLU A 62 -6.303 0.191 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.243 -0.470 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.919 -0.791 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.981 -0.321 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.081 -2.171 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.988 -2.630 -7.189 1.00 0.00 H new ATOM 984 N ALA A 63 -7.990 2.320 -7.766 1.00 0.00 N ATOM 985 CA ALA A 63 -8.538 3.406 -8.579 1.00 0.00 C ATOM 986 C ALA A 63 -7.554 3.919 -9.634 1.00 0.00 C ATOM 987 O ALA A 63 -7.983 4.363 -10.696 1.00 0.00 O ATOM 988 CB ALA A 63 -8.990 4.565 -7.696 1.00 0.00 C ATOM 0 H ALA A 63 -8.034 2.480 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.394 2.987 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.394 5.362 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.760 4.218 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.139 4.944 -7.129 1.00 0.00 H new ATOM 994 N MET A 64 -6.245 3.872 -9.359 1.00 0.00 N ATOM 995 CA MET A 64 -5.234 4.199 -10.348 1.00 0.00 C ATOM 996 C MET A 64 -5.377 3.318 -11.594 1.00 0.00 C ATOM 997 O MET A 64 -5.219 3.801 -12.713 1.00 0.00 O ATOM 998 CB MET A 64 -3.844 4.007 -9.746 1.00 0.00 C ATOM 999 CG MET A 64 -3.526 4.920 -8.562 1.00 0.00 C ATOM 1000 SD MET A 64 -3.705 6.691 -8.894 1.00 0.00 S ATOM 1001 CE MET A 64 -2.432 7.333 -7.793 1.00 0.00 C ATOM 0 H MET A 64 -5.868 3.607 -8.449 1.00 0.00 H new ATOM 0 HA MET A 64 -5.370 5.239 -10.643 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.743 2.970 -9.425 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.100 4.173 -10.525 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.179 4.653 -7.731 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.503 4.728 -8.238 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.315 8.404 -7.958 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.723 7.155 -6.758 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.487 6.829 -7.996 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.642 2.025 -11.391 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.822 1.043 -12.451 1.00 0.00 C ATOM 1013 C GLY A 65 -5.200 -0.298 -12.068 1.00 0.00 C ATOM 1014 O GLY A 65 -5.540 -1.329 -12.642 1.00 0.00 O ATOM 0 H GLY A 65 -5.739 1.626 -10.457 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.885 0.910 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.367 1.409 -13.371 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.267 -0.283 -11.116 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.435 -1.422 -10.769 1.00 0.00 C ATOM 1020 C PHE A 66 -4.169 -2.325 -9.773 1.00 0.00 C ATOM 1021 O PHE A 66 -4.334 -1.914 -8.626 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.152 -0.875 -10.137 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.423 0.127 -11.011 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.875 -0.276 -12.243 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.423 1.488 -10.658 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.374 0.687 -13.137 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.962 2.452 -11.568 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.454 2.052 -12.813 1.00 0.00 C ATOM 0 H PHE A 66 -4.068 0.545 -10.554 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.205 -2.015 -11.654 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.398 -0.403 -9.186 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.483 -1.707 -9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.839 -1.324 -12.502 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.778 1.792 -9.685 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.072 0.378 -14.071 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.998 3.500 -11.310 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.124 2.795 -13.524 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.602 -3.540 -10.150 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.249 -4.435 -9.205 1.00 0.00 C ATOM 1040 C PRO A 67 -4.235 -4.828 -8.128 1.00 0.00 C ATOM 1041 O PRO A 67 -3.066 -5.050 -8.449 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.722 -5.631 -10.032 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.722 -5.680 -11.186 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.380 -4.208 -11.424 1.00 0.00 C ATOM 0 HA PRO A 67 -6.097 -3.986 -8.688 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.709 -6.552 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.742 -5.494 -10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.837 -6.261 -10.926 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.156 -6.140 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.346 -4.094 -11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.010 -3.781 -12.205 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.667 -4.884 -6.861 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.775 -5.170 -5.747 1.00 0.00 C ATOM 1054 C ALA A 68 -4.446 -6.035 -4.683 1.00 0.00 C ATOM 1055 O ALA A 68 -5.576 -5.763 -4.278 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.263 -3.876 -5.128 1.00 0.00 C ATOM 0 H ALA A 68 -5.638 -4.733 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.932 -5.735 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.598 -4.109 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.719 -3.304 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.106 -3.288 -4.764 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.742 -7.061 -4.203 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.303 -8.062 -3.300 1.00 0.00 C ATOM 1064 C PHE A 69 -3.891 -7.770 -1.863 1.00 0.00 C ATOM 1065 O PHE A 69 -3.065 -8.485 -1.297 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.896 -9.467 -3.744 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.866 -10.121 -4.701 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -6.071 -10.652 -4.201 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.577 -10.212 -6.075 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.975 -11.288 -5.067 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.477 -10.859 -6.939 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.674 -11.400 -6.435 1.00 0.00 C ATOM 0 H PHE A 69 -2.761 -7.220 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.391 -8.013 -3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.915 -9.416 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.792 -10.099 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.300 -10.570 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.665 -9.785 -6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.900 -11.691 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.249 -10.941 -7.992 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.362 -11.902 -7.100 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.477 -6.719 -1.291 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.289 -6.308 0.096 1.00 0.00 C ATOM 1084 C VAL A 70 -4.654 -7.414 1.091 1.00 0.00 C ATOM 1085 O VAL A 70 -5.813 -7.584 1.459 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.920 -4.934 0.348 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.417 -4.899 0.088 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.602 -4.446 1.765 1.00 0.00 C ATOM 0 H VAL A 70 -5.118 -6.110 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.225 -6.161 0.283 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.471 -4.253 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.797 -3.897 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.612 -5.162 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.917 -5.613 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.059 -3.469 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.999 -5.155 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.522 -4.366 1.888 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.653 -8.185 1.525 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.837 -9.225 2.520 1.00 0.00 C ATOM 1100 C LYS A 71 -2.500 -9.555 3.189 1.00 0.00 C ATOM 1101 O LYS A 71 -1.843 -10.531 2.837 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.547 -10.442 1.896 1.00 0.00 C ATOM 1103 CG LYS A 71 -4.404 -11.690 2.775 1.00 0.00 C ATOM 1104 CD LYS A 71 -5.522 -12.725 2.571 1.00 0.00 C ATOM 1105 CE LYS A 71 -6.757 -12.395 3.424 1.00 0.00 C ATOM 1106 NZ LYS A 71 -7.750 -13.491 3.409 1.00 0.00 N ATOM 0 H LYS A 71 -2.693 -8.099 1.191 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.494 -8.874 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.604 -10.215 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.129 -10.641 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.443 -12.161 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.390 -11.386 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.803 -12.756 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.153 -13.717 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.447 -12.201 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.220 -11.481 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.567 -13.228 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.066 -13.660 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.317 -14.357 3.787 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.124 -8.785 4.207 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.160 -9.184 5.222 1.00 0.00 C ATOM 1122 C LYS A 72 -1.450 -8.290 6.417 1.00 0.00 C ATOM 1123 O LYS A 72 -2.063 -7.242 6.240 1.00 0.00 O ATOM 1124 CB LYS A 72 0.276 -8.958 4.736 1.00 0.00 C ATOM 1125 CG LYS A 72 1.185 -10.201 4.692 1.00 0.00 C ATOM 1126 CD LYS A 72 1.221 -10.877 3.307 1.00 0.00 C ATOM 1127 CE LYS A 72 0.968 -12.386 3.373 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.123 -13.105 3.945 1.00 0.00 N ATOM 0 H LYS A 72 -2.492 -7.844 4.350 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.248 -10.244 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.235 -8.529 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.743 -8.215 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.197 -9.913 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.840 -10.922 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.471 -10.416 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.192 -10.696 2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.082 -12.581 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.762 -12.765 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.917 -14.124 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.963 -12.938 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.304 -12.760 4.909 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.005 -8.686 7.603 1.00 0.00 N ATOM 1143 CA ILE A 73 -0.970 -7.825 8.773 1.00 0.00 C ATOM 1144 C ILE A 73 0.368 -8.150 9.444 1.00 0.00 C ATOM 1145 O ILE A 73 0.419 -8.884 10.428 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.228 -8.059 9.658 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.498 -7.476 8.997 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.118 -7.423 11.056 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.316 -8.518 8.227 1.00 0.00 C ATOM 0 H ILE A 73 -0.654 -9.627 7.779 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.016 -6.759 8.548 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.295 -9.142 9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.126 -7.028 9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.209 -6.676 8.316 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.029 -7.624 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.264 -7.848 11.583 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.984 -6.346 10.956 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.193 -8.041 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.703 -8.949 7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.635 -9.307 8.909 1.00 0.00 H new ATOM 1161 N GLU A 74 1.469 -7.680 8.847 1.00 0.00 N ATOM 1162 CA GLU A 74 2.794 -7.786 9.455 1.00 0.00 C ATOM 1163 C GLU A 74 3.069 -6.530 10.301 1.00 0.00 C ATOM 1164 O GLU A 74 2.260 -5.600 10.338 1.00 0.00 O ATOM 1165 CB GLU A 74 3.858 -8.044 8.369 1.00 0.00 C ATOM 1166 CG GLU A 74 4.404 -9.474 8.365 1.00 0.00 C ATOM 1167 CD GLU A 74 5.352 -9.664 7.184 1.00 0.00 C ATOM 1168 OE1 GLU A 74 4.840 -9.623 6.041 1.00 0.00 O ATOM 1169 OE2 GLU A 74 6.564 -9.817 7.440 1.00 0.00 O ATOM 0 H GLU A 74 1.465 -7.220 7.937 1.00 0.00 H new ATOM 0 HA GLU A 74 2.839 -8.640 10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.426 -7.827 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.686 -7.350 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.928 -9.675 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.582 -10.187 8.301 1.00 0.00 H new ATOM 1176 N GLY A 75 4.211 -6.508 10.991 1.00 0.00 N ATOM 1177 CA GLY A 75 4.695 -5.393 11.796 1.00 0.00 C ATOM 1178 C GLY A 75 6.222 -5.439 11.762 1.00 0.00 C ATOM 1179 O GLY A 75 6.775 -6.494 11.453 1.00 0.00 O ATOM 0 H GLY A 75 4.849 -7.304 11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.330 -4.446 11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.331 -5.472 12.820 1.00 0.00 H new ATOM 1183 N ARG A 76 6.899 -4.317 12.023 1.00 0.00 N ATOM 1184 CA ARG A 76 8.335 -4.168 11.871 1.00 0.00 C ATOM 1185 C ARG A 76 8.704 -2.793 12.430 1.00 0.00 C ATOM 1186 O ARG A 76 7.773 -2.141 12.955 1.00 0.00 O ATOM 1187 CB ARG A 76 8.709 -4.278 10.382 1.00 0.00 C ATOM 1188 CG ARG A 76 10.222 -4.439 10.181 1.00 0.00 C ATOM 1189 CD ARG A 76 10.797 -3.254 9.398 1.00 0.00 C ATOM 1190 NE ARG A 76 12.264 -3.261 9.433 1.00 0.00 N ATOM 1191 CZ ARG A 76 13.009 -2.799 10.453 1.00 0.00 C ATOM 1192 NH1 ARG A 76 12.431 -2.320 11.560 1.00 0.00 N ATOM 1193 NH2 ARG A 76 14.343 -2.818 10.352 1.00 0.00 N ATOM 1194 OXT ARG A 76 9.884 -2.397 12.288 1.00 0.00 O ATOM 0 H ARG A 76 6.443 -3.467 12.355 1.00 0.00 H new ATOM 0 HA ARG A 76 8.878 -4.947 12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.192 -5.130 9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.366 -3.388 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.716 -4.514 11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.426 -5.367 9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.454 -3.296 8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.424 -2.320 9.819 1.00 0.00 H new ATOM 0 HE ARG A 76 12.754 -3.644 8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.414 -2.302 11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.007 -1.973 12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.785 -3.180 9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.918 -2.470 11.120 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.727 2.127 -14.413 1.00 0.00 CU