USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 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 23 THR OG1 : rot 180:sc= 0.757 USER MOD Set 1.2: A 26 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 3 THR OG1 : rot -171:sc= 0.259 USER MOD Single : A 8 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 13 GLN : amide:sc= -0.074 X(o=-0.074,f=-0.39) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -43:sc= 0.469 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 96:sc= 0.576 USER MOD Single : A 39 HIS : no HD1:sc= 0.637 K(o=0.64,f=-4.9!) USER MOD Single : A 40 MET CE :methyl -170:sc=-0.00565 (180deg=-0.133) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.784 F(o=-1.3,f=-0.78) USER MOD Single : A 45 SER OG : rot 78:sc= 1 USER MOD Single : A 49 HIS :FLIP no HE2:sc= 0.0598 F(o=-0.5,f=0.06) USER MOD Single : A 50 TYR OH : rot 110:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 0.689 (180deg=0.0597) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0348) USER MOD Single : A 60 GLN : amide:sc= -0.0281 K(o=-0.028,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.04 K(o=-1,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 0.733 (180deg=-0.205) USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.512) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.684 3.521 6.179 1.00 0.00 N ATOM 21 CA PRO A 2 -10.919 4.957 6.453 1.00 0.00 C ATOM 22 C PRO A 2 -9.700 5.826 6.061 1.00 0.00 C ATOM 23 O PRO A 2 -9.433 6.872 6.670 1.00 0.00 O ATOM 24 CB PRO A 2 -11.144 4.923 7.979 1.00 0.00 C ATOM 25 CG PRO A 2 -10.172 3.881 8.477 1.00 0.00 C ATOM 26 CD PRO A 2 -9.990 2.883 7.337 1.00 0.00 C ATOM 0 HA PRO A 2 -11.740 5.398 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.950 5.896 8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.172 4.657 8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.220 4.337 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.556 3.386 9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.935 2.710 7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.429 1.915 7.581 1.00 0.00 H new ATOM 34 N THR A 3 -9.012 5.400 4.991 1.00 0.00 N ATOM 35 CA THR A 3 -7.664 5.864 4.655 1.00 0.00 C ATOM 36 C THR A 3 -7.644 7.260 4.023 1.00 0.00 C ATOM 37 O THR A 3 -6.985 8.125 4.574 1.00 0.00 O ATOM 38 CB THR A 3 -6.935 4.827 3.750 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.844 4.329 2.753 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.383 3.658 4.577 1.00 0.00 C ATOM 0 H THR A 3 -9.382 4.717 4.330 1.00 0.00 H new ATOM 0 HA THR A 3 -7.123 5.952 5.597 1.00 0.00 H new ATOM 0 HB THR A 3 -6.096 5.328 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.428 3.581 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.880 2.951 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.673 4.036 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.203 3.155 5.089 1.00 0.00 H new ATOM 48 N LEU A 4 -8.365 7.485 2.890 1.00 0.00 N ATOM 49 CA LEU A 4 -8.405 8.813 2.198 1.00 0.00 C ATOM 50 C LEU A 4 -8.737 9.956 3.180 1.00 0.00 C ATOM 51 O LEU A 4 -8.142 11.035 3.111 1.00 0.00 O ATOM 52 CB LEU A 4 -9.440 8.816 1.036 1.00 0.00 C ATOM 53 CG LEU A 4 -9.129 7.895 -0.185 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.272 7.956 -1.222 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.773 8.265 -0.832 1.00 0.00 C ATOM 0 H LEU A 4 -8.927 6.767 2.434 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.409 8.981 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.409 8.525 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.541 9.839 0.673 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.055 6.870 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.034 7.307 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.201 7.624 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.388 8.981 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.583 7.607 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.804 9.299 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.976 8.150 -0.097 1.00 0.00 H new ATOM 67 N ASP A 5 -9.681 9.671 4.100 1.00 0.00 N ATOM 68 CA ASP A 5 -10.051 10.567 5.219 1.00 0.00 C ATOM 69 C ASP A 5 -8.817 10.946 6.064 1.00 0.00 C ATOM 70 O ASP A 5 -8.513 12.130 6.250 1.00 0.00 O ATOM 71 CB ASP A 5 -11.121 9.875 6.104 1.00 0.00 C ATOM 72 CG ASP A 5 -11.524 10.691 7.350 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.252 11.692 7.202 1.00 0.00 O ATOM 74 OD2 ASP A 5 -11.123 10.335 8.479 1.00 0.00 O ATOM 0 H ASP A 5 -10.215 8.802 4.088 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.462 11.488 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.010 9.687 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.741 8.905 6.424 1.00 0.00 H new ATOM 79 N ALA A 6 -8.100 9.913 6.520 1.00 0.00 N ATOM 80 CA ALA A 6 -6.912 10.057 7.374 1.00 0.00 C ATOM 81 C ALA A 6 -5.718 10.664 6.607 1.00 0.00 C ATOM 82 O ALA A 6 -4.872 11.343 7.195 1.00 0.00 O ATOM 83 CB ALA A 6 -6.535 8.689 7.967 1.00 0.00 C ATOM 0 H ALA A 6 -8.329 8.943 6.305 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.157 10.749 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.654 8.797 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.365 8.309 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.318 7.990 7.160 1.00 0.00 H new ATOM 89 N LEU A 7 -5.674 10.429 5.289 1.00 0.00 N ATOM 90 CA LEU A 7 -4.534 10.790 4.436 1.00 0.00 C ATOM 91 C LEU A 7 -4.615 12.254 3.965 1.00 0.00 C ATOM 92 O LEU A 7 -3.576 12.855 3.711 1.00 0.00 O ATOM 93 CB LEU A 7 -4.434 9.832 3.210 1.00 0.00 C ATOM 94 CG LEU A 7 -4.047 8.342 3.502 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.020 7.503 2.198 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.707 8.252 4.264 1.00 0.00 C ATOM 0 H LEU A 7 -6.435 9.979 4.780 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.632 10.683 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.395 9.838 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.700 10.243 2.517 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.817 7.918 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.748 6.474 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.006 7.521 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.287 7.924 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.465 7.206 4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.917 8.705 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.792 8.781 5.213 1.00 0.00 H new ATOM 108 N THR A 8 -5.841 12.830 3.839 1.00 0.00 N ATOM 109 CA THR A 8 -6.021 14.215 3.319 1.00 0.00 C ATOM 110 C THR A 8 -5.208 15.278 4.124 1.00 0.00 C ATOM 111 O THR A 8 -4.510 16.079 3.495 1.00 0.00 O ATOM 112 CB THR A 8 -7.530 14.627 3.196 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.213 13.671 2.378 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.709 16.027 2.576 1.00 0.00 C ATOM 0 H THR A 8 -6.713 12.362 4.088 1.00 0.00 H new ATOM 0 HA THR A 8 -5.610 14.197 2.310 1.00 0.00 H new ATOM 0 HB THR A 8 -7.945 14.652 4.204 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.238 12.806 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.771 16.264 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.208 16.768 3.199 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.274 16.041 1.576 1.00 0.00 H new ATOM 122 N PRO A 9 -5.236 15.293 5.511 1.00 0.00 N ATOM 123 CA PRO A 9 -4.351 16.182 6.306 1.00 0.00 C ATOM 124 C PRO A 9 -2.840 15.918 6.047 1.00 0.00 C ATOM 125 O PRO A 9 -2.045 16.855 6.060 1.00 0.00 O ATOM 126 CB PRO A 9 -4.732 15.869 7.786 1.00 0.00 C ATOM 127 CG PRO A 9 -5.411 14.536 7.732 1.00 0.00 C ATOM 128 CD PRO A 9 -6.143 14.519 6.410 1.00 0.00 C ATOM 0 HA PRO A 9 -4.493 17.229 6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.849 15.837 8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.393 16.633 8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.688 13.723 7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.101 14.411 8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.298 13.503 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.126 14.983 6.488 1.00 0.00 H new ATOM 136 N ILE A 10 -2.472 14.644 5.785 1.00 0.00 N ATOM 137 CA ILE A 10 -1.059 14.235 5.568 1.00 0.00 C ATOM 138 C ILE A 10 -0.522 14.829 4.248 1.00 0.00 C ATOM 139 O ILE A 10 0.530 15.459 4.238 1.00 0.00 O ATOM 140 CB ILE A 10 -0.899 12.665 5.556 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.434 12.036 6.883 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.569 12.233 5.282 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.715 12.493 8.146 1.00 0.00 C ATOM 0 H ILE A 10 -3.137 13.873 5.718 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.476 14.625 6.402 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.504 12.285 4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.493 12.274 6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.356 10.951 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.634 11.145 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.886 12.615 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.218 12.636 6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.157 12.003 9.014 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.341 12.230 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.814 13.573 8.250 1.00 0.00 H new ATOM 155 N PHE A 11 -1.287 14.651 3.156 1.00 0.00 N ATOM 156 CA PHE A 11 -0.913 15.126 1.806 1.00 0.00 C ATOM 157 C PHE A 11 -0.966 16.669 1.745 1.00 0.00 C ATOM 158 O PHE A 11 -0.096 17.300 1.143 1.00 0.00 O ATOM 159 CB PHE A 11 -1.832 14.486 0.721 1.00 0.00 C ATOM 160 CG PHE A 11 -1.613 12.981 0.473 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.643 12.056 1.516 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.406 12.487 -0.820 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.464 10.703 1.286 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.234 11.134 -1.046 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.271 10.242 0.004 1.00 0.00 C ATOM 0 H PHE A 11 -2.187 14.172 3.182 1.00 0.00 H new ATOM 0 HA PHE A 11 0.111 14.814 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.871 14.642 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.681 15.018 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.810 12.403 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.380 13.173 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.476 10.009 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.070 10.774 -2.051 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.149 9.185 -0.179 1.00 0.00 H new ATOM 175 N ARG A 12 -1.971 17.266 2.414 1.00 0.00 N ATOM 176 CA ARG A 12 -2.076 18.738 2.561 1.00 0.00 C ATOM 177 C ARG A 12 -0.865 19.307 3.326 1.00 0.00 C ATOM 178 O ARG A 12 -0.460 20.445 3.084 1.00 0.00 O ATOM 179 CB ARG A 12 -3.400 19.144 3.279 1.00 0.00 C ATOM 180 CG ARG A 12 -4.656 19.159 2.376 1.00 0.00 C ATOM 181 CD ARG A 12 -5.922 19.571 3.154 1.00 0.00 C ATOM 182 NE ARG A 12 -7.093 19.747 2.273 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.377 19.713 2.668 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.694 19.468 3.929 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.331 19.917 1.783 1.00 0.00 N ATOM 0 H ARG A 12 -2.728 16.752 2.865 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.085 19.163 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.573 18.455 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.271 20.136 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.499 19.850 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.803 18.170 1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.146 18.813 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.730 20.501 3.688 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.913 19.908 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.959 19.302 4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.673 19.445 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.092 20.099 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.309 19.893 2.072 1.00 0.00 H new ATOM 199 N GLN A 13 -0.305 18.515 4.259 1.00 0.00 N ATOM 200 CA GLN A 13 0.852 18.936 5.058 1.00 0.00 C ATOM 201 C GLN A 13 2.151 18.876 4.224 1.00 0.00 C ATOM 202 O GLN A 13 2.885 19.875 4.131 1.00 0.00 O ATOM 203 CB GLN A 13 0.985 18.065 6.341 1.00 0.00 C ATOM 204 CG GLN A 13 2.067 18.561 7.322 1.00 0.00 C ATOM 205 CD GLN A 13 1.782 19.962 7.884 1.00 0.00 C ATOM 206 OE1 GLN A 13 0.626 20.342 8.089 1.00 0.00 O ATOM 207 NE2 GLN A 13 2.828 20.748 8.106 1.00 0.00 N ATOM 0 H GLN A 13 -0.640 17.576 4.476 1.00 0.00 H new ATOM 0 HA GLN A 13 0.691 19.970 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.024 18.044 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.214 17.040 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.149 17.855 8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.031 18.570 6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.771 20.404 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.689 21.696 8.456 1.00 0.00 H new ATOM 216 N VAL A 14 2.408 17.695 3.624 1.00 0.00 N ATOM 217 CA VAL A 14 3.617 17.413 2.810 1.00 0.00 C ATOM 218 C VAL A 14 3.762 18.410 1.650 1.00 0.00 C ATOM 219 O VAL A 14 4.796 19.077 1.501 1.00 0.00 O ATOM 220 CB VAL A 14 3.580 15.939 2.236 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.784 15.658 1.297 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.534 14.895 3.379 1.00 0.00 C ATOM 0 H VAL A 14 1.775 16.898 3.690 1.00 0.00 H new ATOM 0 HA VAL A 14 4.478 17.520 3.470 1.00 0.00 H new ATOM 0 HB VAL A 14 2.667 15.848 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.723 14.636 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.761 16.353 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.714 15.787 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.509 13.891 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.419 15.002 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.641 15.056 3.983 1.00 0.00 H new ATOM 232 N PHE A 15 2.696 18.517 0.853 1.00 0.00 N ATOM 233 CA PHE A 15 2.674 19.368 -0.351 1.00 0.00 C ATOM 234 C PHE A 15 2.299 20.824 -0.012 1.00 0.00 C ATOM 235 O PHE A 15 2.256 21.664 -0.916 1.00 0.00 O ATOM 236 CB PHE A 15 1.721 18.754 -1.414 1.00 0.00 C ATOM 237 CG PHE A 15 2.071 17.297 -1.753 1.00 0.00 C ATOM 238 CD1 PHE A 15 3.256 16.986 -2.419 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.248 16.244 -1.356 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.593 15.673 -2.682 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.594 14.935 -1.614 1.00 0.00 C ATOM 242 CZ PHE A 15 2.768 14.652 -2.274 1.00 0.00 C ATOM 0 H PHE A 15 1.822 18.019 1.019 1.00 0.00 H new ATOM 0 HA PHE A 15 3.679 19.401 -0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.696 18.801 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.762 19.354 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.917 17.780 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.325 16.457 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.508 15.448 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.944 14.132 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.042 13.626 -2.472 1.00 0.00 H new ATOM 252 N ASP A 16 2.017 21.097 1.289 1.00 0.00 N ATOM 253 CA ASP A 16 1.759 22.448 1.842 1.00 0.00 C ATOM 254 C ASP A 16 0.675 23.191 1.039 1.00 0.00 C ATOM 255 O ASP A 16 0.962 24.083 0.228 1.00 0.00 O ATOM 256 CB ASP A 16 3.079 23.266 1.980 1.00 0.00 C ATOM 257 CG ASP A 16 2.866 24.614 2.700 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.562 24.599 3.915 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.990 25.686 2.065 1.00 0.00 O ATOM 0 H ASP A 16 1.962 20.365 1.997 1.00 0.00 H new ATOM 0 HA ASP A 16 1.363 22.328 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.812 22.676 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.495 23.449 0.989 1.00 0.00 H new ATOM 264 N ASP A 17 -0.578 22.771 1.257 1.00 0.00 N ATOM 265 CA ASP A 17 -1.719 23.226 0.468 1.00 0.00 C ATOM 266 C ASP A 17 -3.021 23.036 1.278 1.00 0.00 C ATOM 267 O ASP A 17 -3.030 22.369 2.320 1.00 0.00 O ATOM 268 CB ASP A 17 -1.754 22.447 -0.884 1.00 0.00 C ATOM 269 CG ASP A 17 -2.633 23.117 -1.948 1.00 0.00 C ATOM 270 OD1 ASP A 17 -2.152 24.023 -2.653 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.813 22.760 -2.071 1.00 0.00 O ATOM 0 H ASP A 17 -0.824 22.104 1.989 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.624 24.288 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.738 22.354 -1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.121 21.436 -0.704 1.00 0.00 H new ATOM 276 N ASP A 18 -4.111 23.621 0.781 1.00 0.00 N ATOM 277 CA ASP A 18 -5.424 23.649 1.464 1.00 0.00 C ATOM 278 C ASP A 18 -6.527 23.125 0.524 1.00 0.00 C ATOM 279 O ASP A 18 -7.540 22.568 0.972 1.00 0.00 O ATOM 280 CB ASP A 18 -5.724 25.102 1.934 1.00 0.00 C ATOM 281 CG ASP A 18 -7.088 25.271 2.636 1.00 0.00 C ATOM 282 OD1 ASP A 18 -7.256 24.745 3.753 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.990 25.928 2.071 1.00 0.00 O ATOM 0 H ASP A 18 -4.117 24.099 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.400 22.997 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.935 25.422 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.688 25.766 1.070 1.00 0.00 H new ATOM 288 N SER A 19 -6.295 23.279 -0.786 1.00 0.00 N ATOM 289 CA SER A 19 -7.254 22.915 -1.840 1.00 0.00 C ATOM 290 C SER A 19 -7.137 21.426 -2.246 1.00 0.00 C ATOM 291 O SER A 19 -8.038 20.904 -2.907 1.00 0.00 O ATOM 292 CB SER A 19 -7.026 23.829 -3.064 1.00 0.00 C ATOM 293 OG SER A 19 -7.021 25.194 -2.677 1.00 0.00 O ATOM 0 H SER A 19 -5.424 23.665 -1.150 1.00 0.00 H new ATOM 0 HA SER A 19 -8.262 23.056 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.078 23.578 -3.540 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.809 23.658 -3.803 1.00 0.00 H new ATOM 0 HG SER A 19 -6.874 25.757 -3.465 1.00 0.00 H new ATOM 299 N ILE A 20 -6.021 20.750 -1.865 1.00 0.00 N ATOM 300 CA ILE A 20 -5.836 19.307 -2.141 1.00 0.00 C ATOM 301 C ILE A 20 -6.866 18.484 -1.344 1.00 0.00 C ATOM 302 O ILE A 20 -6.820 18.436 -0.117 1.00 0.00 O ATOM 303 CB ILE A 20 -4.368 18.802 -1.816 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.332 19.459 -2.785 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.260 17.245 -1.868 1.00 0.00 C ATOM 306 CD1 ILE A 20 -1.885 19.033 -2.558 1.00 0.00 C ATOM 0 H ILE A 20 -5.242 21.182 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.991 19.164 -3.210 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.138 19.109 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.611 19.217 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.397 20.542 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.238 16.943 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.940 16.808 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.527 16.895 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.240 19.539 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.582 19.300 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.798 17.954 -2.690 1.00 0.00 H new ATOM 318 N VAL A 21 -7.803 17.864 -2.066 1.00 0.00 N ATOM 319 CA VAL A 21 -8.764 16.906 -1.510 1.00 0.00 C ATOM 320 C VAL A 21 -8.502 15.581 -2.217 1.00 0.00 C ATOM 321 O VAL A 21 -8.480 15.534 -3.452 1.00 0.00 O ATOM 322 CB VAL A 21 -10.261 17.332 -1.734 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.231 16.319 -1.071 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.516 18.767 -1.215 1.00 0.00 C ATOM 0 H VAL A 21 -7.918 18.015 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.627 16.846 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.453 17.328 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.260 16.636 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.079 15.331 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.036 16.277 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.559 19.035 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.297 18.812 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.872 19.466 -1.748 1.00 0.00 H new ATOM 334 N LEU A 22 -8.271 14.521 -1.449 1.00 0.00 N ATOM 335 CA LEU A 22 -7.894 13.228 -2.015 1.00 0.00 C ATOM 336 C LEU A 22 -9.110 12.469 -2.545 1.00 0.00 C ATOM 337 O LEU A 22 -10.157 12.399 -1.899 1.00 0.00 O ATOM 338 CB LEU A 22 -7.146 12.384 -0.971 1.00 0.00 C ATOM 339 CG LEU A 22 -5.833 13.020 -0.435 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.142 12.060 0.529 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.886 13.450 -1.588 1.00 0.00 C ATOM 0 H LEU A 22 -8.338 14.531 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.230 13.416 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.813 12.199 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.910 11.415 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.093 13.928 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.223 12.515 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.805 11.847 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.904 11.132 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.980 13.890 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.623 12.578 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.389 14.184 -2.217 1.00 0.00 H new ATOM 353 N THR A 23 -8.930 11.916 -3.736 1.00 0.00 N ATOM 354 CA THR A 23 -9.844 10.966 -4.368 1.00 0.00 C ATOM 355 C THR A 23 -8.975 9.813 -4.870 1.00 0.00 C ATOM 356 O THR A 23 -7.739 9.952 -4.971 1.00 0.00 O ATOM 357 CB THR A 23 -10.657 11.603 -5.557 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.764 12.203 -6.504 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.670 12.657 -5.077 1.00 0.00 C ATOM 0 H THR A 23 -8.114 12.122 -4.313 1.00 0.00 H new ATOM 0 HA THR A 23 -10.593 10.634 -3.649 1.00 0.00 H new ATOM 0 HB THR A 23 -11.214 10.793 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.281 12.594 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.204 13.065 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.381 12.193 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.143 13.460 -4.562 1.00 0.00 H new ATOM 367 N ARG A 24 -9.600 8.682 -5.186 1.00 0.00 N ATOM 368 CA ARG A 24 -8.878 7.487 -5.653 1.00 0.00 C ATOM 369 C ARG A 24 -8.235 7.676 -7.044 1.00 0.00 C ATOM 370 O ARG A 24 -7.365 6.890 -7.432 1.00 0.00 O ATOM 371 CB ARG A 24 -9.804 6.250 -5.652 1.00 0.00 C ATOM 372 CG ARG A 24 -10.264 5.782 -4.256 1.00 0.00 C ATOM 373 CD ARG A 24 -10.919 4.393 -4.296 1.00 0.00 C ATOM 374 NE ARG A 24 -10.015 3.402 -4.905 1.00 0.00 N ATOM 375 CZ ARG A 24 -9.179 2.585 -4.251 1.00 0.00 C ATOM 376 NH1 ARG A 24 -9.151 2.550 -2.925 1.00 0.00 N ATOM 377 NH2 ARG A 24 -8.364 1.817 -4.939 1.00 0.00 N ATOM 0 H ARG A 24 -10.611 8.561 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.063 7.325 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.686 6.474 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.285 5.426 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.408 5.759 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.971 6.504 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.179 4.080 -3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.848 4.441 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.027 3.331 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.773 3.152 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.507 1.921 -2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.373 1.848 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.722 1.190 -4.453 1.00 0.00 H new ATOM 391 N GLU A 25 -8.658 8.718 -7.776 1.00 0.00 N ATOM 392 CA GLU A 25 -8.177 9.007 -9.139 1.00 0.00 C ATOM 393 C GLU A 25 -7.047 10.065 -9.137 1.00 0.00 C ATOM 394 O GLU A 25 -6.351 10.223 -10.143 1.00 0.00 O ATOM 395 CB GLU A 25 -9.376 9.494 -9.986 1.00 0.00 C ATOM 396 CG GLU A 25 -9.999 10.821 -9.498 1.00 0.00 C ATOM 397 CD GLU A 25 -11.336 11.144 -10.177 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.328 11.641 -11.322 1.00 0.00 O ATOM 399 OE2 GLU A 25 -12.408 10.880 -9.577 1.00 0.00 O ATOM 0 H GLU A 25 -9.348 9.389 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.756 8.098 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.051 9.617 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.145 8.722 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.149 10.770 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.298 11.635 -9.684 1.00 0.00 H new ATOM 406 N THR A 26 -6.885 10.802 -8.010 1.00 0.00 N ATOM 407 CA THR A 26 -5.837 11.841 -7.877 1.00 0.00 C ATOM 408 C THR A 26 -4.440 11.199 -7.921 1.00 0.00 C ATOM 409 O THR A 26 -4.187 10.240 -7.208 1.00 0.00 O ATOM 410 CB THR A 26 -5.999 12.650 -6.541 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.299 13.249 -6.492 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.935 13.758 -6.379 1.00 0.00 C ATOM 0 H THR A 26 -7.468 10.695 -7.180 1.00 0.00 H new ATOM 0 HA THR A 26 -5.949 12.530 -8.714 1.00 0.00 H new ATOM 0 HB THR A 26 -5.866 11.939 -5.725 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.983 12.547 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.097 14.283 -5.438 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.941 13.311 -6.378 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.015 14.463 -7.206 1.00 0.00 H new ATOM 420 N SER A 27 -3.555 11.732 -8.767 1.00 0.00 N ATOM 421 CA SER A 27 -2.166 11.269 -8.899 1.00 0.00 C ATOM 422 C SER A 27 -1.213 12.476 -8.874 1.00 0.00 C ATOM 423 O SER A 27 -1.644 13.619 -8.651 1.00 0.00 O ATOM 424 CB SER A 27 -2.017 10.471 -10.219 1.00 0.00 C ATOM 425 OG SER A 27 -2.393 11.251 -11.346 1.00 0.00 O ATOM 0 H SER A 27 -3.783 12.508 -9.389 1.00 0.00 H new ATOM 0 HA SER A 27 -1.910 10.615 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.984 10.142 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.634 9.574 -10.174 1.00 0.00 H new ATOM 0 HG SER A 27 -3.216 11.743 -11.144 1.00 0.00 H new ATOM 431 N ALA A 28 0.088 12.203 -9.064 1.00 0.00 N ATOM 432 CA ALA A 28 1.111 13.239 -9.235 1.00 0.00 C ATOM 433 C ALA A 28 0.819 14.126 -10.455 1.00 0.00 C ATOM 434 O ALA A 28 1.105 15.322 -10.432 1.00 0.00 O ATOM 435 CB ALA A 28 2.498 12.598 -9.350 1.00 0.00 C ATOM 0 H ALA A 28 0.458 11.253 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 28 1.091 13.880 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.250 13.377 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.713 12.030 -8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.520 11.930 -10.211 1.00 0.00 H new ATOM 441 N ASN A 29 0.213 13.534 -11.507 1.00 0.00 N ATOM 442 CA ASN A 29 -0.137 14.255 -12.749 1.00 0.00 C ATOM 443 C ASN A 29 -1.235 15.315 -12.494 1.00 0.00 C ATOM 444 O ASN A 29 -1.328 16.309 -13.221 1.00 0.00 O ATOM 445 CB ASN A 29 -0.582 13.245 -13.840 1.00 0.00 C ATOM 446 CG ASN A 29 -0.910 13.897 -15.189 1.00 0.00 C ATOM 447 OD1 ASN A 29 -2.068 14.200 -15.485 1.00 0.00 O ATOM 448 ND2 ASN A 29 0.108 14.135 -16.006 1.00 0.00 N ATOM 0 H ASN A 29 -0.046 12.548 -11.519 1.00 0.00 H new ATOM 0 HA ASN A 29 0.749 14.784 -13.101 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.209 12.509 -13.985 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.459 12.704 -13.485 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.056 14.581 -16.909 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.055 13.872 -15.731 1.00 0.00 H new ATOM 455 N ASP A 30 -2.064 15.088 -11.454 1.00 0.00 N ATOM 456 CA ASP A 30 -3.111 16.044 -11.027 1.00 0.00 C ATOM 457 C ASP A 30 -2.529 17.176 -10.169 1.00 0.00 C ATOM 458 O ASP A 30 -3.138 18.242 -10.063 1.00 0.00 O ATOM 459 CB ASP A 30 -4.230 15.316 -10.233 1.00 0.00 C ATOM 460 CG ASP A 30 -5.023 14.334 -11.105 1.00 0.00 C ATOM 461 OD1 ASP A 30 -4.600 13.168 -11.238 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.072 14.726 -11.668 1.00 0.00 O ATOM 0 H ASP A 30 -2.028 14.241 -10.887 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.534 16.480 -11.932 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.786 14.777 -9.396 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.911 16.055 -9.811 1.00 0.00 H new ATOM 467 N ILE A 31 -1.349 16.945 -9.559 1.00 0.00 N ATOM 468 CA ILE A 31 -0.737 17.887 -8.602 1.00 0.00 C ATOM 469 C ILE A 31 0.630 18.374 -9.135 1.00 0.00 C ATOM 470 O ILE A 31 1.654 17.689 -8.990 1.00 0.00 O ATOM 471 CB ILE A 31 -0.610 17.230 -7.161 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.036 16.868 -6.599 1.00 0.00 C ATOM 473 CG2 ILE A 31 0.167 18.145 -6.173 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.050 16.228 -5.217 1.00 0.00 C ATOM 0 H ILE A 31 -0.795 16.103 -9.716 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.386 18.757 -8.500 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.032 16.311 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.636 17.777 -6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.523 16.190 -7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.231 17.658 -5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.172 18.324 -6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.356 19.096 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.079 16.019 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.483 15.297 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.598 16.909 -4.496 1.00 0.00 H new ATOM 486 N ASP A 32 0.616 19.541 -9.815 1.00 0.00 N ATOM 487 CA ASP A 32 1.845 20.265 -10.215 1.00 0.00 C ATOM 488 C ASP A 32 2.491 20.871 -8.960 1.00 0.00 C ATOM 489 O ASP A 32 2.153 21.991 -8.548 1.00 0.00 O ATOM 490 CB ASP A 32 1.557 21.358 -11.285 1.00 0.00 C ATOM 491 CG ASP A 32 1.154 20.763 -12.638 1.00 0.00 C ATOM 492 OD1 ASP A 32 -0.040 20.469 -12.840 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.041 20.560 -13.501 1.00 0.00 O ATOM 0 H ASP A 32 -0.244 20.008 -10.102 1.00 0.00 H new ATOM 0 HA ASP A 32 2.534 19.559 -10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.761 22.011 -10.927 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.444 21.978 -11.414 1.00 0.00 H new ATOM 498 N ALA A 33 3.438 20.098 -8.404 1.00 0.00 N ATOM 499 CA ALA A 33 4.036 20.266 -7.053 1.00 0.00 C ATOM 500 C ALA A 33 4.657 18.923 -6.643 1.00 0.00 C ATOM 501 O ALA A 33 5.749 18.861 -6.067 1.00 0.00 O ATOM 502 CB ALA A 33 3.004 20.690 -5.979 1.00 0.00 C ATOM 0 H ALA A 33 3.832 19.299 -8.901 1.00 0.00 H new ATOM 0 HA ALA A 33 4.777 21.063 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.504 20.796 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.555 21.642 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.226 19.931 -5.903 1.00 0.00 H new ATOM 508 N TRP A 34 3.904 17.852 -6.948 1.00 0.00 N ATOM 509 CA TRP A 34 4.275 16.464 -6.661 1.00 0.00 C ATOM 510 C TRP A 34 5.317 15.997 -7.693 1.00 0.00 C ATOM 511 O TRP A 34 5.016 15.914 -8.883 1.00 0.00 O ATOM 512 CB TRP A 34 2.988 15.575 -6.726 1.00 0.00 C ATOM 513 CG TRP A 34 3.083 14.214 -6.063 1.00 0.00 C ATOM 514 CD1 TRP A 34 4.183 13.415 -5.916 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.994 13.491 -5.471 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.845 12.271 -5.251 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.515 12.292 -4.964 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.633 13.758 -5.305 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.726 11.354 -4.313 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.154 12.827 -4.661 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.397 11.640 -4.165 1.00 0.00 C ATOM 0 H TRP A 34 2.999 17.934 -7.412 1.00 0.00 H new ATOM 0 HA TRP A 34 4.712 16.381 -5.666 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.168 16.125 -6.265 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.725 15.429 -7.774 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.174 13.654 -6.273 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.489 11.518 -5.007 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.205 14.678 -5.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.146 10.433 -3.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.210 13.016 -4.538 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.241 10.934 -3.654 1.00 0.00 H new ATOM 532 N ASP A 35 6.527 15.699 -7.227 1.00 0.00 N ATOM 533 CA ASP A 35 7.621 15.161 -8.058 1.00 0.00 C ATOM 534 C ASP A 35 8.289 14.012 -7.281 1.00 0.00 C ATOM 535 O ASP A 35 7.759 13.605 -6.257 1.00 0.00 O ATOM 536 CB ASP A 35 8.641 16.279 -8.394 1.00 0.00 C ATOM 537 CG ASP A 35 9.426 16.784 -7.164 1.00 0.00 C ATOM 538 OD1 ASP A 35 8.859 17.532 -6.352 1.00 0.00 O ATOM 539 OD2 ASP A 35 10.610 16.414 -7.001 1.00 0.00 O ATOM 0 H ASP A 35 6.787 15.823 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 35 7.232 14.784 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.346 15.906 -9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.113 17.118 -8.848 1.00 0.00 H new ATOM 544 N SER A 36 9.436 13.498 -7.773 1.00 0.00 N ATOM 545 CA SER A 36 10.230 12.421 -7.122 1.00 0.00 C ATOM 546 C SER A 36 10.540 12.726 -5.643 1.00 0.00 C ATOM 547 O SER A 36 10.269 11.906 -4.765 1.00 0.00 O ATOM 548 CB SER A 36 11.563 12.194 -7.914 1.00 0.00 C ATOM 549 OG SER A 36 11.412 11.533 -9.190 1.00 0.00 O ATOM 0 H SER A 36 9.848 13.822 -8.648 1.00 0.00 H new ATOM 0 HA SER A 36 9.625 11.514 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.040 13.161 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.240 11.605 -7.295 1.00 0.00 H new ATOM 0 HG SER A 36 12.290 11.435 -9.614 1.00 0.00 H new ATOM 554 N LEU A 37 11.090 13.918 -5.391 1.00 0.00 N ATOM 555 CA LEU A 37 11.522 14.348 -4.045 1.00 0.00 C ATOM 556 C LEU A 37 10.303 14.451 -3.096 1.00 0.00 C ATOM 557 O LEU A 37 10.344 13.948 -1.972 1.00 0.00 O ATOM 558 CB LEU A 37 12.304 15.700 -4.153 1.00 0.00 C ATOM 559 CG LEU A 37 13.410 16.010 -3.081 1.00 0.00 C ATOM 560 CD1 LEU A 37 12.838 16.240 -1.671 1.00 0.00 C ATOM 561 CD2 LEU A 37 14.508 14.921 -3.072 1.00 0.00 C ATOM 0 H LEU A 37 11.251 14.619 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 37 12.196 13.605 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.775 15.734 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.574 16.509 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 37 13.868 16.952 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.653 16.449 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.152 17.086 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.304 15.347 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.257 15.166 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.061 13.955 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.981 14.873 -4.053 1.00 0.00 H new ATOM 573 N SER A 38 9.205 15.045 -3.600 1.00 0.00 N ATOM 574 CA SER A 38 7.967 15.256 -2.810 1.00 0.00 C ATOM 575 C SER A 38 7.191 13.935 -2.589 1.00 0.00 C ATOM 576 O SER A 38 6.431 13.804 -1.625 1.00 0.00 O ATOM 577 CB SER A 38 7.066 16.288 -3.505 1.00 0.00 C ATOM 578 OG SER A 38 7.721 17.532 -3.623 1.00 0.00 O ATOM 0 H SER A 38 9.146 15.391 -4.558 1.00 0.00 H new ATOM 0 HA SER A 38 8.262 15.633 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.786 15.925 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.143 16.411 -2.938 1.00 0.00 H new ATOM 0 HG SER A 38 8.129 17.604 -4.511 1.00 0.00 H new ATOM 584 N HIS A 39 7.371 12.993 -3.525 1.00 0.00 N ATOM 585 CA HIS A 39 6.818 11.625 -3.450 1.00 0.00 C ATOM 586 C HIS A 39 7.505 10.835 -2.331 1.00 0.00 C ATOM 587 O HIS A 39 6.857 10.113 -1.575 1.00 0.00 O ATOM 588 CB HIS A 39 6.998 10.917 -4.817 1.00 0.00 C ATOM 589 CG HIS A 39 6.233 9.628 -5.006 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.875 9.567 -4.819 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.665 8.429 -5.455 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.519 8.346 -5.172 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.568 7.626 -5.556 1.00 0.00 N ATOM 0 H HIS A 39 7.914 13.159 -4.372 1.00 0.00 H new ATOM 0 HA HIS A 39 5.754 11.678 -3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.701 11.610 -5.604 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.059 10.710 -4.959 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.684 8.159 -5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.504 7.979 -5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.555 6.655 -5.868 1.00 0.00 H new ATOM 601 N MET A 40 8.833 11.012 -2.220 1.00 0.00 N ATOM 602 CA MET A 40 9.625 10.406 -1.139 1.00 0.00 C ATOM 603 C MET A 40 9.259 11.052 0.202 1.00 0.00 C ATOM 604 O MET A 40 9.166 10.360 1.215 1.00 0.00 O ATOM 605 CB MET A 40 11.138 10.548 -1.412 1.00 0.00 C ATOM 606 CG MET A 40 11.638 9.740 -2.617 1.00 0.00 C ATOM 607 SD MET A 40 11.292 7.969 -2.480 1.00 0.00 S ATOM 608 CE MET A 40 12.243 7.494 -1.031 1.00 0.00 C ATOM 0 H MET A 40 9.382 11.574 -2.871 1.00 0.00 H new ATOM 0 HA MET A 40 9.392 9.342 -1.096 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.369 11.601 -1.573 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.687 10.233 -0.525 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.172 10.126 -3.524 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.713 9.887 -2.724 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.258 6.407 -0.946 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.263 7.865 -1.128 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.785 7.922 -0.139 1.00 0.00 H new ATOM 618 N ASN A 41 9.023 12.383 0.176 1.00 0.00 N ATOM 619 CA ASN A 41 8.557 13.151 1.351 1.00 0.00 C ATOM 620 C ASN A 41 7.196 12.619 1.834 1.00 0.00 C ATOM 621 O ASN A 41 6.951 12.506 3.035 1.00 0.00 O ATOM 622 CB ASN A 41 8.440 14.664 1.027 1.00 0.00 C ATOM 623 CG ASN A 41 9.772 15.352 0.756 1.00 0.00 C ATOM 624 OD1 ASN A 41 9.749 16.388 -0.063 1.00 0.00 O flip ATOM 625 ND2 ASN A 41 10.807 14.967 1.282 1.00 0.00 N flip ATOM 0 H ASN A 41 9.150 12.954 -0.660 1.00 0.00 H new ATOM 0 HA ASN A 41 9.296 13.025 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.796 14.788 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.949 15.165 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.792 14.163 1.910 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.685 15.450 1.093 1.00 0.00 H new ATOM 632 N LEU A 42 6.325 12.285 0.870 1.00 0.00 N ATOM 633 CA LEU A 42 4.981 11.750 1.135 1.00 0.00 C ATOM 634 C LEU A 42 5.063 10.377 1.835 1.00 0.00 C ATOM 635 O LEU A 42 4.437 10.171 2.886 1.00 0.00 O ATOM 636 CB LEU A 42 4.183 11.696 -0.209 1.00 0.00 C ATOM 637 CG LEU A 42 2.646 11.406 -0.143 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.326 9.899 -0.029 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.985 12.213 0.998 1.00 0.00 C ATOM 0 H LEU A 42 6.535 12.379 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 42 4.446 12.406 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.321 12.650 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.640 10.932 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 42 2.219 11.736 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.246 9.759 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.727 9.375 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.779 9.498 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.917 11.996 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.437 11.934 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.135 13.279 0.824 1.00 0.00 H new ATOM 651 N ILE A 43 5.855 9.456 1.253 1.00 0.00 N ATOM 652 CA ILE A 43 5.993 8.081 1.773 1.00 0.00 C ATOM 653 C ILE A 43 6.648 8.095 3.174 1.00 0.00 C ATOM 654 O ILE A 43 6.138 7.428 4.070 1.00 0.00 O ATOM 655 CB ILE A 43 6.756 7.122 0.751 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.776 6.514 -0.324 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.526 5.971 1.460 1.00 0.00 C ATOM 658 CD1 ILE A 43 5.042 7.508 -1.201 1.00 0.00 C ATOM 0 H ILE A 43 6.412 9.640 0.418 1.00 0.00 H new ATOM 0 HA ILE A 43 4.993 7.661 1.880 1.00 0.00 H new ATOM 0 HB ILE A 43 7.487 7.756 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.347 5.846 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.037 5.903 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.024 5.353 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.269 6.393 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.825 5.360 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.399 6.972 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.434 8.163 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.764 8.105 -1.758 1.00 0.00 H new ATOM 670 N VAL A 44 7.718 8.908 3.388 1.00 0.00 N ATOM 671 CA VAL A 44 8.409 8.959 4.702 1.00 0.00 C ATOM 672 C VAL A 44 7.504 9.552 5.802 1.00 0.00 C ATOM 673 O VAL A 44 7.682 9.246 6.985 1.00 0.00 O ATOM 674 CB VAL A 44 9.784 9.723 4.668 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.777 9.063 3.681 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.610 11.230 4.373 1.00 0.00 C ATOM 0 H VAL A 44 8.114 9.526 2.680 1.00 0.00 H new ATOM 0 HA VAL A 44 8.630 7.919 4.942 1.00 0.00 H new ATOM 0 HB VAL A 44 10.211 9.645 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.715 9.617 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.963 8.033 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.353 9.073 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.587 11.713 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.129 11.358 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.991 11.683 5.147 1.00 0.00 H new ATOM 686 N SER A 45 6.543 10.408 5.400 1.00 0.00 N ATOM 687 CA SER A 45 5.483 10.909 6.302 1.00 0.00 C ATOM 688 C SER A 45 4.567 9.758 6.751 1.00 0.00 C ATOM 689 O SER A 45 4.183 9.689 7.913 1.00 0.00 O ATOM 690 CB SER A 45 4.655 12.018 5.623 1.00 0.00 C ATOM 691 OG SER A 45 5.455 13.141 5.331 1.00 0.00 O ATOM 0 H SER A 45 6.478 10.770 4.449 1.00 0.00 H new ATOM 0 HA SER A 45 5.966 11.335 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.212 11.634 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.833 12.313 6.275 1.00 0.00 H new ATOM 0 HG SER A 45 5.996 12.959 4.534 1.00 0.00 H new ATOM 697 N LEU A 46 4.238 8.845 5.832 1.00 0.00 N ATOM 698 CA LEU A 46 3.412 7.661 6.153 1.00 0.00 C ATOM 699 C LEU A 46 4.203 6.663 7.042 1.00 0.00 C ATOM 700 O LEU A 46 3.628 6.018 7.938 1.00 0.00 O ATOM 701 CB LEU A 46 2.927 6.986 4.847 1.00 0.00 C ATOM 702 CG LEU A 46 2.143 7.909 3.854 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.745 7.155 2.570 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.912 8.550 4.528 1.00 0.00 C ATOM 0 H LEU A 46 4.528 8.897 4.856 1.00 0.00 H new ATOM 0 HA LEU A 46 2.538 7.983 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.794 6.578 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.288 6.143 5.111 1.00 0.00 H new ATOM 0 HG LEU A 46 2.818 8.715 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.203 7.828 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.642 6.794 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.108 6.309 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.392 9.184 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.238 7.767 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.235 9.153 5.377 1.00 0.00 H new ATOM 716 N GLU A 47 5.527 6.591 6.795 1.00 0.00 N ATOM 717 CA GLU A 47 6.470 5.753 7.561 1.00 0.00 C ATOM 718 C GLU A 47 6.492 6.167 9.045 1.00 0.00 C ATOM 719 O GLU A 47 6.404 5.323 9.928 1.00 0.00 O ATOM 720 CB GLU A 47 7.910 5.870 6.982 1.00 0.00 C ATOM 721 CG GLU A 47 8.090 5.413 5.516 1.00 0.00 C ATOM 722 CD GLU A 47 8.013 3.905 5.288 1.00 0.00 C ATOM 723 OE1 GLU A 47 8.683 3.155 6.025 1.00 0.00 O ATOM 724 OE2 GLU A 47 7.343 3.469 4.331 1.00 0.00 O ATOM 0 H GLU A 47 5.976 7.121 6.048 1.00 0.00 H new ATOM 0 HA GLU A 47 6.130 4.721 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.228 6.910 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.581 5.284 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.326 5.895 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.056 5.769 5.158 1.00 0.00 H new ATOM 731 N VAL A 48 6.643 7.477 9.306 1.00 0.00 N ATOM 732 CA VAL A 48 6.724 7.998 10.678 1.00 0.00 C ATOM 733 C VAL A 48 5.342 8.061 11.381 1.00 0.00 C ATOM 734 O VAL A 48 5.218 7.623 12.532 1.00 0.00 O ATOM 735 CB VAL A 48 7.445 9.397 10.731 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.926 9.267 10.300 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.734 10.469 9.873 1.00 0.00 C ATOM 0 H VAL A 48 6.711 8.193 8.583 1.00 0.00 H new ATOM 0 HA VAL A 48 7.331 7.283 11.234 1.00 0.00 H new ATOM 0 HB VAL A 48 7.398 9.731 11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.405 10.245 10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.441 8.580 10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.976 8.884 9.281 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.275 11.412 9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.711 10.145 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.714 10.606 10.233 1.00 0.00 H new ATOM 747 N HIS A 49 4.324 8.598 10.678 1.00 0.00 N ATOM 748 CA HIS A 49 2.971 8.834 11.243 1.00 0.00 C ATOM 749 C HIS A 49 2.226 7.525 11.549 1.00 0.00 C ATOM 750 O HIS A 49 1.841 7.287 12.696 1.00 0.00 O ATOM 751 CB HIS A 49 2.120 9.744 10.302 1.00 0.00 C ATOM 752 CG HIS A 49 2.466 11.210 10.407 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.404 11.959 9.787 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.842 12.056 11.294 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.340 13.218 10.315 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.392 13.249 11.220 1.00 0.00 N flip ATOM 0 H HIS A 49 4.412 8.882 9.702 1.00 0.00 H new ATOM 0 HA HIS A 49 3.115 9.352 12.191 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.260 9.419 9.271 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.064 9.610 10.538 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.043 11.643 9.058 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.028 11.784 11.949 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.967 14.051 10.033 1.00 0.00 H new ATOM 765 N TYR A 50 2.045 6.673 10.529 1.00 0.00 N ATOM 766 CA TYR A 50 1.256 5.421 10.658 1.00 0.00 C ATOM 767 C TYR A 50 2.153 4.224 11.016 1.00 0.00 C ATOM 768 O TYR A 50 1.647 3.125 11.265 1.00 0.00 O ATOM 769 CB TYR A 50 0.494 5.133 9.345 1.00 0.00 C ATOM 770 CG TYR A 50 -0.502 6.226 8.941 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.814 6.233 9.438 1.00 0.00 C ATOM 772 CD2 TYR A 50 -0.134 7.249 8.065 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.709 7.221 9.078 1.00 0.00 C ATOM 774 CE2 TYR A 50 -1.028 8.237 7.706 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.311 8.216 8.209 1.00 0.00 C ATOM 776 OH TYR A 50 -3.198 9.200 7.853 1.00 0.00 O ATOM 0 H TYR A 50 2.433 6.822 9.598 1.00 0.00 H new ATOM 0 HA TYR A 50 0.541 5.561 11.468 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.217 5.001 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.042 4.190 9.449 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.129 5.452 10.114 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.868 7.267 7.661 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.714 7.215 9.474 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.723 9.025 7.033 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.925 10.049 8.259 1.00 0.00 H new ATOM 786 N LYS A 51 3.487 4.460 11.033 1.00 0.00 N ATOM 787 CA LYS A 51 4.521 3.439 11.347 1.00 0.00 C ATOM 788 C LYS A 51 4.584 2.336 10.268 1.00 0.00 C ATOM 789 O LYS A 51 5.181 1.278 10.492 1.00 0.00 O ATOM 790 CB LYS A 51 4.360 2.828 12.784 1.00 0.00 C ATOM 791 CG LYS A 51 4.725 3.776 13.954 1.00 0.00 C ATOM 792 CD LYS A 51 3.758 4.966 14.108 1.00 0.00 C ATOM 793 CE LYS A 51 4.153 5.923 15.239 1.00 0.00 C ATOM 794 NZ LYS A 51 3.245 7.090 15.318 1.00 0.00 N ATOM 0 H LYS A 51 3.883 5.377 10.826 1.00 0.00 H new ATOM 0 HA LYS A 51 5.476 3.964 11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.327 2.505 12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.983 1.936 12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.737 3.206 14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.735 4.157 13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.720 5.519 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.753 4.587 14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.140 5.388 16.188 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.175 6.268 15.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.802 7.952 15.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.722 7.184 14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.573 6.954 16.100 1.00 0.00 H new ATOM 808 N ILE A 52 4.055 2.637 9.066 1.00 0.00 N ATOM 809 CA ILE A 52 3.806 1.627 8.024 1.00 0.00 C ATOM 810 C ILE A 52 4.922 1.654 6.969 1.00 0.00 C ATOM 811 O ILE A 52 5.431 2.720 6.633 1.00 0.00 O ATOM 812 CB ILE A 52 2.404 1.840 7.357 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.274 3.245 6.691 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.271 1.604 8.389 1.00 0.00 C ATOM 815 CD1 ILE A 52 0.934 3.503 6.024 1.00 0.00 C ATOM 0 H ILE A 52 3.790 3.583 8.793 1.00 0.00 H new ATOM 0 HA ILE A 52 3.805 0.645 8.497 1.00 0.00 H new ATOM 0 HB ILE A 52 2.307 1.104 6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.442 4.010 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.063 3.355 5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.304 1.756 7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.331 0.584 8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.380 2.306 9.216 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.931 4.502 5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.770 2.764 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.138 3.429 6.765 1.00 0.00 H new ATOM 827 N LYS A 53 5.299 0.463 6.478 1.00 0.00 N ATOM 828 CA LYS A 53 6.443 0.263 5.560 1.00 0.00 C ATOM 829 C LYS A 53 5.957 0.066 4.114 1.00 0.00 C ATOM 830 O LYS A 53 5.154 -0.820 3.865 1.00 0.00 O ATOM 831 CB LYS A 53 7.238 -1.003 5.998 1.00 0.00 C ATOM 832 CG LYS A 53 8.069 -0.856 7.287 1.00 0.00 C ATOM 833 CD LYS A 53 9.299 0.074 7.123 1.00 0.00 C ATOM 834 CE LYS A 53 10.212 -0.305 5.938 1.00 0.00 C ATOM 835 NZ LYS A 53 10.601 -1.737 5.955 1.00 0.00 N ATOM 0 H LYS A 53 4.814 -0.404 6.708 1.00 0.00 H new ATOM 0 HA LYS A 53 7.078 1.148 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.533 -1.823 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.907 -1.288 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.431 -0.466 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.408 -1.841 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.953 1.099 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.884 0.052 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.699 -0.082 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.110 0.312 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.254 -1.929 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.070 -1.959 6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.752 -2.329 5.852 1.00 0.00 H new ATOM 849 N PHE A 54 6.467 0.873 3.176 1.00 0.00 N ATOM 850 CA PHE A 54 6.239 0.690 1.729 1.00 0.00 C ATOM 851 C PHE A 54 7.530 0.203 1.073 1.00 0.00 C ATOM 852 O PHE A 54 8.619 0.696 1.383 1.00 0.00 O ATOM 853 CB PHE A 54 5.762 2.006 1.064 1.00 0.00 C ATOM 854 CG PHE A 54 4.434 2.504 1.611 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.218 2.043 1.091 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.398 3.412 2.665 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.022 2.492 1.607 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.199 3.848 3.171 1.00 0.00 C ATOM 859 CZ PHE A 54 2.015 3.388 2.646 1.00 0.00 C ATOM 0 H PHE A 54 7.054 1.678 3.396 1.00 0.00 H new ATOM 0 HA PHE A 54 5.454 -0.053 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.520 2.776 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.670 1.850 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.218 1.330 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.322 3.777 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.089 2.138 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.186 4.556 3.986 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.076 3.733 3.053 1.00 0.00 H new ATOM 869 N ALA A 55 7.395 -0.804 0.213 1.00 0.00 N ATOM 870 CA ALA A 55 8.480 -1.326 -0.612 1.00 0.00 C ATOM 871 C ALA A 55 8.412 -0.645 -1.978 1.00 0.00 C ATOM 872 O ALA A 55 7.317 -0.336 -2.445 1.00 0.00 O ATOM 873 CB ALA A 55 8.343 -2.848 -0.751 1.00 0.00 C ATOM 0 H ALA A 55 6.510 -1.289 0.068 1.00 0.00 H new ATOM 0 HA ALA A 55 9.445 -1.119 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.156 -3.232 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.388 -3.309 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.388 -3.086 -1.220 1.00 0.00 H new ATOM 879 N LEU A 56 9.576 -0.413 -2.612 1.00 0.00 N ATOM 880 CA LEU A 56 9.666 0.245 -3.940 1.00 0.00 C ATOM 881 C LEU A 56 8.904 -0.586 -5.005 1.00 0.00 C ATOM 882 O LEU A 56 8.371 -0.025 -5.961 1.00 0.00 O ATOM 883 CB LEU A 56 11.172 0.469 -4.326 1.00 0.00 C ATOM 884 CG LEU A 56 11.513 1.610 -5.367 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.173 1.235 -6.824 1.00 0.00 C ATOM 886 CD2 LEU A 56 10.852 2.942 -4.961 1.00 0.00 C ATOM 0 H LEU A 56 10.482 -0.674 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 56 9.190 1.224 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.723 0.678 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.558 -0.470 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 56 12.595 1.736 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.433 2.063 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.739 0.350 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.106 1.026 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.102 3.710 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.770 2.815 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.216 3.244 -3.979 1.00 0.00 H new ATOM 898 N GLY A 57 8.818 -1.918 -4.783 1.00 0.00 N ATOM 899 CA GLY A 57 7.991 -2.812 -5.609 1.00 0.00 C ATOM 900 C GLY A 57 6.503 -2.453 -5.561 1.00 0.00 C ATOM 901 O GLY A 57 5.783 -2.581 -6.557 1.00 0.00 O ATOM 0 H GLY A 57 9.317 -2.395 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.338 -2.770 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.124 -3.839 -5.270 1.00 0.00 H new ATOM 905 N GLU A 58 6.054 -1.990 -4.385 1.00 0.00 N ATOM 906 CA GLU A 58 4.671 -1.518 -4.165 1.00 0.00 C ATOM 907 C GLU A 58 4.499 -0.083 -4.692 1.00 0.00 C ATOM 908 O GLU A 58 3.400 0.297 -5.087 1.00 0.00 O ATOM 909 CB GLU A 58 4.318 -1.583 -2.666 1.00 0.00 C ATOM 910 CG GLU A 58 4.584 -2.955 -2.031 1.00 0.00 C ATOM 911 CD GLU A 58 4.198 -3.005 -0.553 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.736 -2.202 0.232 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.341 -3.824 -0.167 1.00 0.00 O ATOM 0 H GLU A 58 6.640 -1.931 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 58 3.992 -2.170 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.894 -0.827 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.265 -1.331 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.025 -3.717 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.641 -3.200 -2.135 1.00 0.00 H new ATOM 920 N LEU A 59 5.598 0.700 -4.701 1.00 0.00 N ATOM 921 CA LEU A 59 5.643 2.043 -5.335 1.00 0.00 C ATOM 922 C LEU A 59 5.402 1.925 -6.862 1.00 0.00 C ATOM 923 O LEU A 59 4.762 2.793 -7.465 1.00 0.00 O ATOM 924 CB LEU A 59 7.004 2.758 -5.023 1.00 0.00 C ATOM 925 CG LEU A 59 7.114 3.585 -3.690 1.00 0.00 C ATOM 926 CD1 LEU A 59 6.319 4.891 -3.786 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.681 2.773 -2.452 1.00 0.00 C ATOM 0 H LEU A 59 6.480 0.423 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 59 4.846 2.656 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.785 1.998 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.226 3.430 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 59 8.169 3.827 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.412 5.443 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.709 5.495 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.269 4.665 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.777 3.391 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.643 2.460 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.317 1.893 -2.353 1.00 0.00 H new ATOM 939 N GLN A 60 5.906 0.826 -7.472 1.00 0.00 N ATOM 940 CA GLN A 60 5.592 0.453 -8.880 1.00 0.00 C ATOM 941 C GLN A 60 4.063 0.280 -9.099 1.00 0.00 C ATOM 942 O GLN A 60 3.564 0.416 -10.219 1.00 0.00 O ATOM 943 CB GLN A 60 6.324 -0.867 -9.277 1.00 0.00 C ATOM 944 CG GLN A 60 7.847 -0.931 -8.981 1.00 0.00 C ATOM 945 CD GLN A 60 8.744 0.009 -9.805 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.344 1.095 -10.219 1.00 0.00 O ATOM 947 NE2 GLN A 60 9.987 -0.396 -10.020 1.00 0.00 N ATOM 0 H GLN A 60 6.539 0.174 -7.009 1.00 0.00 H new ATOM 0 HA GLN A 60 5.942 1.268 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.841 -1.695 -8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.177 -1.031 -10.345 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.999 -0.710 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.184 -1.955 -9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.297 -1.301 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.634 0.198 -10.539 1.00 0.00 H new ATOM 956 N LYS A 61 3.346 -0.026 -8.006 1.00 0.00 N ATOM 957 CA LYS A 61 1.877 -0.210 -7.999 1.00 0.00 C ATOM 958 C LYS A 61 1.133 1.073 -7.553 1.00 0.00 C ATOM 959 O LYS A 61 -0.085 1.146 -7.698 1.00 0.00 O ATOM 960 CB LYS A 61 1.510 -1.390 -7.047 1.00 0.00 C ATOM 961 CG LYS A 61 2.188 -2.755 -7.371 1.00 0.00 C ATOM 962 CD LYS A 61 1.376 -3.678 -8.329 1.00 0.00 C ATOM 963 CE LYS A 61 1.217 -3.134 -9.756 1.00 0.00 C ATOM 964 NZ LYS A 61 0.479 -4.076 -10.625 1.00 0.00 N ATOM 0 H LYS A 61 3.771 -0.155 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 61 1.562 -0.434 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.774 -1.107 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.429 -1.528 -7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.164 -2.563 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.363 -3.289 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.866 -4.651 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.386 -3.840 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.690 -2.180 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.201 -2.941 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.393 -3.673 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.994 -4.978 -10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.470 -4.241 -10.232 1.00 0.00 H new ATOM 978 N LEU A 62 1.858 2.069 -7.011 1.00 0.00 N ATOM 979 CA LEU A 62 1.253 3.313 -6.471 1.00 0.00 C ATOM 980 C LEU A 62 1.169 4.385 -7.566 1.00 0.00 C ATOM 981 O LEU A 62 2.024 5.262 -7.624 1.00 0.00 O ATOM 982 CB LEU A 62 2.065 3.847 -5.242 1.00 0.00 C ATOM 983 CG LEU A 62 2.068 2.946 -3.966 1.00 0.00 C ATOM 984 CD1 LEU A 62 2.908 3.566 -2.829 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.634 2.641 -3.504 1.00 0.00 C ATOM 0 H LEU A 62 2.875 2.040 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 62 0.244 3.079 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.098 3.999 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.668 4.825 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 62 2.541 2.001 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.885 2.909 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.938 3.689 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.495 4.538 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.664 2.012 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.120 3.574 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.099 2.120 -4.298 1.00 0.00 H new ATOM 997 N LYS A 63 0.164 4.283 -8.463 1.00 0.00 N ATOM 998 CA LYS A 63 -0.030 5.263 -9.561 1.00 0.00 C ATOM 999 C LYS A 63 -0.883 6.441 -9.053 1.00 0.00 C ATOM 1000 O LYS A 63 -0.671 7.584 -9.454 1.00 0.00 O ATOM 1001 CB LYS A 63 -0.660 4.572 -10.823 1.00 0.00 C ATOM 1002 CG LYS A 63 -0.469 5.321 -12.186 1.00 0.00 C ATOM 1003 CD LYS A 63 -1.326 6.611 -12.348 1.00 0.00 C ATOM 1004 CE LYS A 63 -0.977 7.432 -13.603 1.00 0.00 C ATOM 1005 NZ LYS A 63 -1.292 6.710 -14.850 1.00 0.00 N ATOM 0 H LYS A 63 -0.527 3.533 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 63 0.937 5.657 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.232 3.574 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.728 4.446 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.583 5.585 -12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.712 4.636 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.380 6.334 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.194 7.238 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.526 8.374 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.084 7.681 -13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.040 7.302 -15.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.749 5.823 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.309 6.495 -14.879 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.817 6.155 -8.142 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.763 7.155 -7.606 1.00 0.00 C ATOM 1021 C ASN A 64 -2.837 7.039 -6.080 1.00 0.00 C ATOM 1022 O ASN A 64 -2.317 6.091 -5.486 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.194 6.970 -8.208 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.239 7.079 -9.733 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.394 8.160 -10.289 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.108 5.956 -10.417 1.00 0.00 N ATOM 0 H ASN A 64 -1.944 5.222 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.397 8.142 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.580 5.995 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.859 7.720 -7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.135 5.974 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.980 5.071 -9.925 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.511 8.025 -5.468 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.802 8.067 -4.024 1.00 0.00 C ATOM 1035 C VAL A 65 -4.835 6.975 -3.640 1.00 0.00 C ATOM 1036 O VAL A 65 -4.970 6.619 -2.468 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.314 9.498 -3.589 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.518 9.591 -2.057 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.345 10.608 -4.078 1.00 0.00 C ATOM 0 H VAL A 65 -3.877 8.833 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.874 7.865 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.283 9.653 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.870 10.589 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.256 8.853 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.572 9.397 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.721 11.582 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.357 10.445 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.276 10.577 -5.165 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.549 6.442 -4.650 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.414 5.276 -4.467 1.00 0.00 C ATOM 1051 C GLY A 66 -5.622 4.017 -4.184 1.00 0.00 C ATOM 1052 O GLY A 66 -6.031 3.188 -3.366 1.00 0.00 O ATOM 0 H GLY A 66 -5.539 6.807 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.104 5.463 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.019 5.130 -5.362 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.469 3.901 -4.860 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.494 2.832 -4.613 1.00 0.00 C ATOM 1058 C ASP A 67 -2.890 2.981 -3.213 1.00 0.00 C ATOM 1059 O ASP A 67 -2.637 1.977 -2.550 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.386 2.845 -5.690 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.938 2.633 -7.105 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.099 1.469 -7.527 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.241 3.624 -7.793 1.00 0.00 O ATOM 0 H ASP A 67 -4.187 4.549 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.008 1.873 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.856 3.797 -5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.658 2.065 -5.467 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.648 4.246 -2.775 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.236 4.543 -1.384 1.00 0.00 C ATOM 1070 C LEU A 68 -3.346 4.163 -0.400 1.00 0.00 C ATOM 1071 O LEU A 68 -3.057 3.642 0.653 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.836 6.048 -1.170 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.369 6.442 -1.518 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.650 5.608 -0.705 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.104 6.351 -3.029 1.00 0.00 C ATOM 0 H LEU A 68 -2.732 5.072 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.348 3.940 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.505 6.666 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.017 6.302 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.234 7.485 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.663 5.909 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.491 5.777 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.515 4.550 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.929 6.633 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.276 5.329 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.777 7.026 -3.558 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.614 4.405 -0.758 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.764 4.079 0.111 1.00 0.00 C ATOM 1089 C ALA A 69 -5.781 2.568 0.425 1.00 0.00 C ATOM 1090 O ALA A 69 -5.987 2.150 1.577 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.074 4.513 -0.556 1.00 0.00 C ATOM 0 H ALA A 69 -4.875 4.828 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.664 4.623 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.913 4.267 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.054 5.589 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.188 3.993 -1.507 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.499 1.778 -0.626 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.356 0.316 -0.537 1.00 0.00 C ATOM 1099 C ASP A 70 -4.157 -0.047 0.338 1.00 0.00 C ATOM 1100 O ASP A 70 -4.317 -0.678 1.373 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.175 -0.308 -1.943 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.296 0.061 -2.918 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.471 0.146 -2.494 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -6.020 0.251 -4.120 1.00 0.00 O ATOM 0 H ASP A 70 -5.363 2.141 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.266 -0.083 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.221 0.018 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.128 -1.393 -1.848 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.977 0.454 -0.074 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.668 0.081 0.495 1.00 0.00 C ATOM 1111 C LEU A 71 -1.585 0.445 1.987 1.00 0.00 C ATOM 1112 O LEU A 71 -1.322 -0.427 2.805 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.493 0.732 -0.324 1.00 0.00 C ATOM 1114 CG LEU A 71 0.313 -0.219 -1.262 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.007 -1.324 -0.457 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.579 -0.802 -2.377 1.00 0.00 C ATOM 0 H LEU A 71 -2.905 1.141 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.564 -1.001 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.906 1.539 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.203 1.186 0.381 1.00 0.00 H new ATOM 0 HG LEU A 71 1.089 0.372 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.562 -1.973 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.694 -0.875 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.259 -1.910 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.015 -1.460 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.396 -1.369 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.988 0.010 -2.978 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.831 1.735 2.309 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.899 2.254 3.692 1.00 0.00 C ATOM 1130 C VAL A 72 -2.807 1.363 4.563 1.00 0.00 C ATOM 1131 O VAL A 72 -2.383 0.935 5.631 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.388 3.765 3.737 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.640 4.262 5.187 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.379 4.707 3.018 1.00 0.00 C ATOM 0 H VAL A 72 -1.990 2.455 1.604 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.888 2.228 4.098 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.339 3.796 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.972 5.300 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.408 3.646 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.717 4.190 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.742 5.734 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.408 4.642 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.280 4.406 1.975 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.013 1.014 4.052 1.00 0.00 N ATOM 1145 CA ASP A 73 -4.978 0.183 4.820 1.00 0.00 C ATOM 1146 C ASP A 73 -4.472 -1.261 5.015 1.00 0.00 C ATOM 1147 O ASP A 73 -4.731 -1.875 6.052 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.369 0.147 4.146 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.433 -0.471 5.067 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.810 0.180 6.069 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.875 -1.610 4.823 1.00 0.00 O ATOM 0 H ASP A 73 -4.339 1.289 3.126 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.069 0.657 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.667 1.159 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.310 -0.427 3.222 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.758 -1.791 4.007 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.190 -3.159 4.070 1.00 0.00 C ATOM 1158 C LYS A 74 -2.074 -3.220 5.114 1.00 0.00 C ATOM 1159 O LYS A 74 -1.930 -4.217 5.819 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.676 -3.661 2.695 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.769 -3.778 1.606 1.00 0.00 C ATOM 1162 CD LYS A 74 -5.038 -4.536 2.075 1.00 0.00 C ATOM 1163 CE LYS A 74 -6.140 -4.601 0.995 1.00 0.00 C ATOM 1164 NZ LYS A 74 -7.411 -5.128 1.547 1.00 0.00 N ATOM 0 H LYS A 74 -3.558 -1.297 3.137 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.000 -3.827 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.900 -2.982 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.209 -4.637 2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.054 -2.777 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.352 -4.289 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.762 -5.550 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.437 -4.048 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.306 -3.606 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.808 -5.235 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.130 -5.159 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.257 -6.087 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.739 -4.508 2.315 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.325 -2.117 5.231 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.241 -1.966 6.209 1.00 0.00 C ATOM 1180 C LYS A 75 -0.816 -1.792 7.617 1.00 0.00 C ATOM 1181 O LYS A 75 -0.257 -2.300 8.593 1.00 0.00 O ATOM 1182 CB LYS A 75 0.633 -0.748 5.844 1.00 0.00 C ATOM 1183 CG LYS A 75 1.281 -0.804 4.455 1.00 0.00 C ATOM 1184 CD LYS A 75 2.165 -2.048 4.281 1.00 0.00 C ATOM 1185 CE LYS A 75 2.661 -2.205 2.845 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.549 -3.376 2.705 1.00 0.00 N ATOM 0 H LYS A 75 -1.456 -1.295 4.642 1.00 0.00 H new ATOM 0 HA LYS A 75 0.375 -2.865 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.020 0.151 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.420 -0.649 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.503 -0.803 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.882 0.092 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.020 -1.982 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.601 -2.936 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.809 -2.311 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.195 -1.304 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.453 -3.772 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.535 -3.085 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.286 -4.097 3.406 1.00 0.00 H new ATOM 1200 N LEU A 76 -1.940 -1.063 7.693 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.703 -0.870 8.934 1.00 0.00 C ATOM 1202 C LEU A 76 -3.347 -2.198 9.375 1.00 0.00 C ATOM 1203 O LEU A 76 -3.507 -2.443 10.565 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.763 0.250 8.751 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.189 1.692 8.533 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.313 2.707 8.247 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.306 2.136 9.726 1.00 0.00 C ATOM 0 H LEU A 76 -2.347 -0.587 6.888 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.023 -0.552 9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.392 -0.005 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.408 0.263 9.630 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.549 1.661 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.881 3.697 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.852 2.410 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.003 2.733 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.924 3.140 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.901 2.136 10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.470 1.445 9.837 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.672 -3.065 8.394 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.127 -4.446 8.656 1.00 0.00 C ATOM 1221 C ALA A 77 -2.977 -5.264 9.273 1.00 0.00 C ATOM 1222 O ALA A 77 -3.193 -6.077 10.177 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.652 -5.100 7.363 1.00 0.00 C ATOM 0 H ALA A 77 -3.627 -2.829 7.403 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.952 -4.422 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.982 -6.116 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.490 -4.520 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.856 -5.127 6.619 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.740 -5.007 8.798 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.518 -5.628 9.362 1.00 0.00 C ATOM 1231 C ARG A 78 -0.195 -5.041 10.756 1.00 0.00 C ATOM 1232 O ARG A 78 0.616 -5.598 11.488 1.00 0.00 O ATOM 1233 CB ARG A 78 0.704 -5.457 8.411 1.00 0.00 C ATOM 1234 CG ARG A 78 0.463 -5.879 6.943 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.128 -7.292 6.791 1.00 0.00 C ATOM 1236 NE ARG A 78 0.795 -8.345 7.238 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.473 -9.618 7.497 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -0.780 -10.054 7.350 1.00 0.00 N ATOM 1239 NH2 ARG A 78 1.411 -10.458 7.898 1.00 0.00 N ATOM 0 H ARG A 78 -1.559 -4.371 8.022 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.716 -6.695 9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.011 -4.411 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.536 -6.039 8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.211 -5.161 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.408 -5.830 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.053 -7.358 7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.388 -7.462 5.746 1.00 0.00 H new ATOM 0 HE ARG A 78 1.772 -8.081 7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.509 -9.414 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.008 -11.027 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.372 -10.135 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.174 -11.430 8.097 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.792 -3.878 11.088 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.700 -3.279 12.437 1.00 0.00 C ATOM 1255 C LYS A 79 -1.685 -3.926 13.424 1.00 0.00 C ATOM 1256 O LYS A 79 -1.453 -3.887 14.632 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.922 -1.746 12.373 1.00 0.00 C ATOM 1258 CG LYS A 79 0.115 -0.987 11.516 1.00 0.00 C ATOM 1259 CD LYS A 79 1.570 -1.295 11.937 1.00 0.00 C ATOM 1260 CE LYS A 79 2.600 -0.663 11.001 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.977 -1.062 11.354 1.00 0.00 N ATOM 0 H LYS A 79 -1.349 -3.329 10.433 1.00 0.00 H new ATOM 0 HA LYS A 79 0.307 -3.473 12.807 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.917 -1.552 11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.901 -1.345 13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.020 -1.253 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.065 0.085 11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.735 -0.932 12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.717 -2.375 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.388 -0.959 9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.513 0.423 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.634 -0.293 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.032 -1.255 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.237 -1.919 10.825 1.00 0.00 H new