USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 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 58 ASN : amide:sc= 1.57 K(o=2.2,f=-0.95) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -149:sc= 0.595 (180deg=-0.175) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 18 MET CE :methyl 146:sc=-0.00858 (180deg=-0.267) USER MOD Single : A 19 MET CE :methyl 180:sc= -0.338 (180deg=-0.338) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.531 (180deg=-1.17) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 19:sc= 0.471 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 105 THR OG1 : rot 180:sc=0.000542 USER MOD Single : A 106 MET CE :methyl 169:sc=-0.000386 (180deg=-0.183) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.758 4.531 -6.679 1.00 0.00 N ATOM 42 CA LEU A 4 7.489 5.944 -6.470 1.00 0.00 C ATOM 43 C LEU A 4 6.781 6.508 -7.700 1.00 0.00 C ATOM 44 O LEU A 4 7.354 7.276 -8.473 1.00 0.00 O ATOM 45 CB LEU A 4 8.775 6.715 -6.133 1.00 0.00 C ATOM 46 CG LEU A 4 9.937 6.516 -7.115 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.880 7.712 -7.010 1.00 0.00 C ATOM 48 CD2 LEU A 4 10.759 5.271 -6.792 1.00 0.00 C ATOM 0 HA LEU A 4 6.831 6.063 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.539 7.778 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.107 6.417 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 4 9.506 6.411 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.711 7.582 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.339 8.625 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.265 7.784 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.569 5.173 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.176 5.360 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.120 4.390 -6.842 1.00 0.00 H new ATOM 60 N THR A 5 5.516 6.123 -7.888 1.00 0.00 N ATOM 61 CA THR A 5 4.737 6.545 -9.045 1.00 0.00 C ATOM 62 C THR A 5 4.347 8.014 -8.956 1.00 0.00 C ATOM 63 O THR A 5 3.807 8.550 -9.921 1.00 0.00 O ATOM 64 CB THR A 5 3.442 5.739 -9.132 1.00 0.00 C ATOM 65 OG1 THR A 5 2.941 5.467 -7.841 1.00 0.00 O ATOM 66 CG2 THR A 5 3.653 4.418 -9.855 1.00 0.00 C ATOM 0 H THR A 5 5.010 5.514 -7.245 1.00 0.00 H new ATOM 0 HA THR A 5 5.364 6.382 -9.921 1.00 0.00 H new ATOM 0 HB THR A 5 2.728 6.342 -9.693 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.111 4.952 -7.914 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.711 3.872 -9.898 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.007 4.610 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.393 3.824 -9.318 1.00 0.00 H new ATOM 74 N GLN A 6 4.609 8.668 -7.822 1.00 0.00 N ATOM 75 CA GLN A 6 4.108 10.009 -7.590 1.00 0.00 C ATOM 76 C GLN A 6 5.230 11.009 -7.368 1.00 0.00 C ATOM 77 O GLN A 6 5.973 10.907 -6.392 1.00 0.00 O ATOM 78 CB GLN A 6 3.165 9.964 -6.387 1.00 0.00 C ATOM 79 CG GLN A 6 2.086 8.903 -6.600 1.00 0.00 C ATOM 80 CD GLN A 6 1.119 8.784 -5.432 1.00 0.00 C ATOM 81 OE1 GLN A 6 1.199 9.513 -4.448 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.187 7.844 -5.542 1.00 0.00 N ATOM 0 H GLN A 6 5.164 8.285 -7.057 1.00 0.00 H new ATOM 0 HA GLN A 6 3.572 10.348 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.730 9.742 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.702 10.940 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.525 9.142 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.564 7.938 -6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.151 7.256 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.493 7.710 -4.793 1.00 0.00 H new ATOM 91 N ILE A 7 5.335 11.970 -8.286 1.00 0.00 N ATOM 92 CA ILE A 7 6.439 12.915 -8.318 1.00 0.00 C ATOM 93 C ILE A 7 5.944 14.358 -8.232 1.00 0.00 C ATOM 94 O ILE A 7 5.070 14.757 -9.000 1.00 0.00 O ATOM 95 CB ILE A 7 7.249 12.702 -9.602 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.540 11.220 -9.874 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.557 13.498 -9.522 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.351 10.542 -8.772 1.00 0.00 C ATOM 0 H ILE A 7 4.651 12.111 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 7 7.074 12.737 -7.450 1.00 0.00 H new ATOM 0 HB ILE A 7 6.647 13.062 -10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.596 10.690 -9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.080 11.132 -10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.132 13.346 -10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.331 14.558 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.139 13.157 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.518 9.497 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.311 11.047 -8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.804 10.598 -7.831 1.00 0.00 H new ATOM 110 N LEU A 8 6.509 15.134 -7.303 1.00 0.00 N ATOM 111 CA LEU A 8 6.209 16.551 -7.154 1.00 0.00 C ATOM 112 C LEU A 8 7.120 17.347 -8.088 1.00 0.00 C ATOM 113 O LEU A 8 8.290 16.999 -8.257 1.00 0.00 O ATOM 114 CB LEU A 8 6.426 16.957 -5.686 1.00 0.00 C ATOM 115 CG LEU A 8 5.503 18.066 -5.175 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.957 18.470 -3.774 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.484 19.319 -6.046 1.00 0.00 C ATOM 0 H LEU A 8 7.193 14.788 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 8 5.172 16.758 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.292 16.076 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.460 17.281 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 8 4.493 17.655 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.309 19.260 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.902 17.607 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.984 18.832 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.805 20.053 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.488 19.740 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.145 19.060 -7.049 1.00 0.00 H new ATOM 129 N ILE A 9 6.595 18.413 -8.693 1.00 0.00 N ATOM 130 CA ILE A 9 7.353 19.250 -9.610 1.00 0.00 C ATOM 131 C ILE A 9 7.553 20.630 -8.990 1.00 0.00 C ATOM 132 O ILE A 9 6.599 21.244 -8.510 1.00 0.00 O ATOM 133 CB ILE A 9 6.599 19.337 -10.943 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.450 17.941 -11.559 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.324 20.271 -11.917 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.419 17.947 -12.687 1.00 0.00 C ATOM 0 H ILE A 9 5.631 18.717 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 9 8.337 18.820 -9.797 1.00 0.00 H new ATOM 0 HB ILE A 9 5.607 19.746 -10.750 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.413 17.605 -11.943 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.148 17.230 -10.790 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.772 20.318 -12.856 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.389 21.269 -11.484 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.328 19.892 -12.105 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.333 16.945 -13.107 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.452 18.260 -12.294 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.736 18.640 -13.466 1.00 0.00 H new ATOM 148 N VAL A 10 8.795 21.121 -9.001 1.00 0.00 N ATOM 149 CA VAL A 10 9.125 22.447 -8.500 1.00 0.00 C ATOM 150 C VAL A 10 9.825 23.222 -9.607 1.00 0.00 C ATOM 151 O VAL A 10 10.826 22.757 -10.151 1.00 0.00 O ATOM 152 CB VAL A 10 10.016 22.344 -7.258 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.234 23.732 -6.657 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.385 21.444 -6.193 1.00 0.00 C ATOM 0 H VAL A 10 9.598 20.605 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 10 8.215 22.971 -8.209 1.00 0.00 H new ATOM 0 HB VAL A 10 10.967 21.911 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.868 23.651 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.717 24.375 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.273 24.161 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.042 21.392 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.421 21.855 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.242 20.443 -6.600 1.00 0.00 H new ATOM 164 N GLU A 11 9.301 24.401 -9.943 1.00 0.00 N ATOM 165 CA GLU A 11 9.802 25.196 -11.055 1.00 0.00 C ATOM 166 C GLU A 11 9.559 26.689 -10.842 1.00 0.00 C ATOM 167 O GLU A 11 8.756 27.084 -9.998 1.00 0.00 O ATOM 168 CB GLU A 11 9.180 24.706 -12.370 1.00 0.00 C ATOM 169 CG GLU A 11 7.669 24.446 -12.296 1.00 0.00 C ATOM 170 CD GLU A 11 6.837 25.697 -12.007 1.00 0.00 C ATOM 171 OE1 GLU A 11 5.905 25.589 -11.178 1.00 0.00 O ATOM 172 OE2 GLU A 11 7.134 26.749 -12.615 1.00 0.00 O ATOM 0 H GLU A 11 8.517 24.828 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 11 10.882 25.063 -11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.372 25.446 -13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.680 23.787 -12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.339 24.012 -13.240 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.475 23.706 -11.520 1.00 0.00 H new ATOM 179 N ASP A 12 10.264 27.518 -11.616 1.00 0.00 N ATOM 180 CA ASP A 12 10.122 28.968 -11.577 1.00 0.00 C ATOM 181 C ASP A 12 9.656 29.502 -12.939 1.00 0.00 C ATOM 182 O ASP A 12 9.702 30.704 -13.193 1.00 0.00 O ATOM 183 CB ASP A 12 11.447 29.590 -11.132 1.00 0.00 C ATOM 184 CG ASP A 12 11.318 31.090 -10.868 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.165 31.843 -11.396 1.00 0.00 O ATOM 186 OD2 ASP A 12 10.376 31.472 -10.137 1.00 0.00 O ATOM 0 H ASP A 12 10.955 27.194 -12.293 1.00 0.00 H new ATOM 0 HA ASP A 12 9.356 29.247 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.795 29.092 -10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.202 29.421 -11.900 1.00 0.00 H new ATOM 191 N GLU A 13 9.208 28.599 -13.815 1.00 0.00 N ATOM 192 CA GLU A 13 8.745 28.926 -15.154 1.00 0.00 C ATOM 193 C GLU A 13 7.622 27.956 -15.532 1.00 0.00 C ATOM 194 O GLU A 13 7.844 26.745 -15.538 1.00 0.00 O ATOM 195 CB GLU A 13 9.923 28.800 -16.124 1.00 0.00 C ATOM 196 CG GLU A 13 9.542 29.142 -17.566 1.00 0.00 C ATOM 197 CD GLU A 13 9.167 30.613 -17.742 1.00 0.00 C ATOM 198 OE1 GLU A 13 8.235 30.873 -18.534 1.00 0.00 O ATOM 199 OE2 GLU A 13 9.808 31.462 -17.090 1.00 0.00 O ATOM 0 H GLU A 13 9.158 27.602 -13.603 1.00 0.00 H new ATOM 0 HA GLU A 13 8.361 29.945 -15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.728 29.460 -15.799 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.311 27.782 -16.087 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.377 28.902 -18.225 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.703 28.518 -17.874 1.00 0.00 H new ATOM 206 N PRO A 14 6.419 28.456 -15.849 1.00 0.00 N ATOM 207 CA PRO A 14 5.251 27.625 -16.102 1.00 0.00 C ATOM 208 C PRO A 14 5.407 26.765 -17.356 1.00 0.00 C ATOM 209 O PRO A 14 4.637 25.827 -17.553 1.00 0.00 O ATOM 210 CB PRO A 14 4.086 28.610 -16.245 1.00 0.00 C ATOM 211 CG PRO A 14 4.760 29.890 -16.727 1.00 0.00 C ATOM 212 CD PRO A 14 6.085 29.861 -15.972 1.00 0.00 C ATOM 0 HA PRO A 14 5.093 26.913 -15.292 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.344 28.253 -16.960 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.569 28.761 -15.297 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.907 29.891 -17.807 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.173 30.776 -16.484 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.859 30.404 -16.514 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.991 30.331 -14.993 1.00 0.00 H new ATOM 220 N LEU A 15 6.396 27.067 -18.206 1.00 0.00 N ATOM 221 CA LEU A 15 6.679 26.251 -19.376 1.00 0.00 C ATOM 222 C LEU A 15 7.260 24.908 -18.930 1.00 0.00 C ATOM 223 O LEU A 15 7.055 23.892 -19.591 1.00 0.00 O ATOM 224 CB LEU A 15 7.621 27.038 -20.298 1.00 0.00 C ATOM 225 CG LEU A 15 7.940 26.316 -21.614 1.00 0.00 C ATOM 226 CD1 LEU A 15 8.264 27.358 -22.686 1.00 0.00 C ATOM 227 CD2 LEU A 15 9.164 25.409 -21.488 1.00 0.00 C ATOM 0 H LEU A 15 7.011 27.874 -18.098 1.00 0.00 H new ATOM 0 HA LEU A 15 5.772 26.029 -19.939 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.170 28.004 -20.524 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.552 27.237 -19.768 1.00 0.00 H new ATOM 0 HG LEU A 15 7.070 25.712 -21.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.492 26.855 -23.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.406 28.015 -22.826 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.125 27.948 -22.372 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.353 24.918 -22.443 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.032 26.006 -21.209 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.981 24.655 -20.722 1.00 0.00 H new ATOM 239 N ILE A 16 7.984 24.900 -17.807 1.00 0.00 N ATOM 240 CA ILE A 16 8.584 23.687 -17.276 1.00 0.00 C ATOM 241 C ILE A 16 7.530 22.866 -16.536 1.00 0.00 C ATOM 242 O ILE A 16 7.646 21.646 -16.445 1.00 0.00 O ATOM 243 CB ILE A 16 9.755 24.061 -16.356 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.792 24.929 -17.082 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.429 22.800 -15.806 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.417 24.233 -18.295 1.00 0.00 C ATOM 0 H ILE A 16 8.166 25.733 -17.248 1.00 0.00 H new ATOM 0 HA ILE A 16 8.970 23.074 -18.091 1.00 0.00 H new ATOM 0 HB ILE A 16 9.346 24.642 -15.529 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.318 25.855 -17.407 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.581 25.203 -16.382 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.257 23.084 -15.156 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.704 22.218 -15.237 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.807 22.199 -16.633 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.141 24.899 -18.764 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.919 23.321 -17.972 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.636 23.983 -19.013 1.00 0.00 H new ATOM 258 N ALA A 17 6.492 23.521 -16.006 1.00 0.00 N ATOM 259 CA ALA A 17 5.448 22.814 -15.281 1.00 0.00 C ATOM 260 C ALA A 17 4.631 21.933 -16.228 1.00 0.00 C ATOM 261 O ALA A 17 4.212 20.842 -15.848 1.00 0.00 O ATOM 262 CB ALA A 17 4.549 23.834 -14.580 1.00 0.00 C ATOM 0 H ALA A 17 6.358 24.530 -16.068 1.00 0.00 H new ATOM 0 HA ALA A 17 5.904 22.162 -14.536 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.763 23.312 -14.034 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.144 24.425 -13.884 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.099 24.493 -15.322 1.00 0.00 H new ATOM 268 N MET A 18 4.406 22.398 -17.460 1.00 0.00 N ATOM 269 CA MET A 18 3.661 21.625 -18.443 1.00 0.00 C ATOM 270 C MET A 18 4.570 20.634 -19.168 1.00 0.00 C ATOM 271 O MET A 18 4.088 19.644 -19.718 1.00 0.00 O ATOM 272 CB MET A 18 2.965 22.567 -19.429 1.00 0.00 C ATOM 273 CG MET A 18 3.974 23.405 -20.216 1.00 0.00 C ATOM 274 SD MET A 18 3.237 24.524 -21.438 1.00 0.00 S ATOM 275 CE MET A 18 2.356 25.654 -20.334 1.00 0.00 C ATOM 0 H MET A 18 4.731 23.305 -17.795 1.00 0.00 H new ATOM 0 HA MET A 18 2.899 21.043 -17.925 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.356 21.985 -20.121 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.288 23.227 -18.886 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.564 23.993 -19.513 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.664 22.733 -20.727 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.365 26.658 -20.758 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.325 25.319 -20.217 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.846 25.667 -19.360 1.00 0.00 H new ATOM 285 N MET A 19 5.885 20.886 -19.173 1.00 0.00 N ATOM 286 CA MET A 19 6.834 20.001 -19.830 1.00 0.00 C ATOM 287 C MET A 19 7.079 18.755 -18.979 1.00 0.00 C ATOM 288 O MET A 19 7.287 17.668 -19.515 1.00 0.00 O ATOM 289 CB MET A 19 8.135 20.772 -20.070 1.00 0.00 C ATOM 290 CG MET A 19 9.041 20.066 -21.076 1.00 0.00 C ATOM 291 SD MET A 19 8.335 19.962 -22.744 1.00 0.00 S ATOM 292 CE MET A 19 9.841 19.621 -23.687 1.00 0.00 C ATOM 0 H MET A 19 6.309 21.699 -18.726 1.00 0.00 H new ATOM 0 HA MET A 19 6.432 19.667 -20.787 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.902 21.773 -20.433 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.666 20.891 -19.125 1.00 0.00 H new ATOM 0 HG2 MET A 19 9.994 20.593 -21.126 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.253 19.059 -20.717 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.594 19.525 -24.744 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.548 20.440 -23.552 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.289 18.692 -23.334 1.00 0.00 H new ATOM 302 N LEU A 20 7.050 18.905 -17.649 1.00 0.00 N ATOM 303 CA LEU A 20 7.239 17.787 -16.738 1.00 0.00 C ATOM 304 C LEU A 20 5.944 16.992 -16.581 1.00 0.00 C ATOM 305 O LEU A 20 5.990 15.796 -16.309 1.00 0.00 O ATOM 306 CB LEU A 20 7.727 18.311 -15.385 1.00 0.00 C ATOM 307 CG LEU A 20 9.253 18.364 -15.269 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.797 16.945 -15.118 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.901 19.061 -16.463 1.00 0.00 C ATOM 0 H LEU A 20 6.896 19.800 -17.184 1.00 0.00 H new ATOM 0 HA LEU A 20 7.991 17.113 -17.149 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.323 19.310 -15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.331 17.675 -14.593 1.00 0.00 H new ATOM 0 HG LEU A 20 9.504 18.953 -14.387 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.883 16.979 -15.035 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.379 16.488 -14.221 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.518 16.354 -15.990 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.983 19.073 -16.334 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.651 18.524 -17.378 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.532 20.084 -16.531 1.00 0.00 H new ATOM 321 N GLU A 21 4.789 17.642 -16.754 1.00 0.00 N ATOM 322 CA GLU A 21 3.514 16.942 -16.730 1.00 0.00 C ATOM 323 C GLU A 21 3.312 16.157 -18.027 1.00 0.00 C ATOM 324 O GLU A 21 2.529 15.207 -18.056 1.00 0.00 O ATOM 325 CB GLU A 21 2.382 17.954 -16.530 1.00 0.00 C ATOM 326 CG GLU A 21 2.327 18.445 -15.081 1.00 0.00 C ATOM 327 CD GLU A 21 1.734 17.377 -14.165 1.00 0.00 C ATOM 328 OE1 GLU A 21 2.523 16.579 -13.613 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.487 17.368 -14.022 1.00 0.00 O ATOM 0 H GLU A 21 4.717 18.647 -16.911 1.00 0.00 H new ATOM 0 HA GLU A 21 3.508 16.233 -15.902 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.527 18.802 -17.199 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.430 17.496 -16.798 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.330 18.704 -14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.727 19.353 -15.023 1.00 0.00 H new ATOM 336 N ASP A 22 4.009 16.543 -19.105 1.00 0.00 N ATOM 337 CA ASP A 22 3.890 15.848 -20.375 1.00 0.00 C ATOM 338 C ASP A 22 4.658 14.529 -20.342 1.00 0.00 C ATOM 339 O ASP A 22 4.127 13.500 -20.763 1.00 0.00 O ATOM 340 CB ASP A 22 4.392 16.748 -21.502 1.00 0.00 C ATOM 341 CG ASP A 22 4.202 16.089 -22.864 1.00 0.00 C ATOM 342 OD1 ASP A 22 3.037 16.037 -23.320 1.00 0.00 O ATOM 343 OD2 ASP A 22 5.216 15.639 -23.442 1.00 0.00 O ATOM 0 H ASP A 22 4.656 17.331 -19.114 1.00 0.00 H new ATOM 0 HA ASP A 22 2.841 15.614 -20.556 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.857 17.698 -21.477 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.448 16.972 -21.348 1.00 0.00 H new ATOM 348 N PHE A 23 5.899 14.534 -19.844 1.00 0.00 N ATOM 349 CA PHE A 23 6.671 13.304 -19.779 1.00 0.00 C ATOM 350 C PHE A 23 6.229 12.425 -18.613 1.00 0.00 C ATOM 351 O PHE A 23 6.560 11.240 -18.587 1.00 0.00 O ATOM 352 CB PHE A 23 8.162 13.619 -19.728 1.00 0.00 C ATOM 353 CG PHE A 23 8.694 14.103 -21.059 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.865 13.192 -22.108 1.00 0.00 C ATOM 355 CD2 PHE A 23 9.009 15.455 -21.254 1.00 0.00 C ATOM 356 CE1 PHE A 23 9.352 13.628 -23.349 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.490 15.893 -22.493 1.00 0.00 C ATOM 358 CZ PHE A 23 9.665 14.981 -23.543 1.00 0.00 C ATOM 0 H PHE A 23 6.377 15.362 -19.488 1.00 0.00 H new ATOM 0 HA PHE A 23 6.482 12.730 -20.686 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.344 14.379 -18.969 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.709 12.727 -19.424 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.621 12.150 -21.961 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.880 16.160 -20.446 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.486 12.922 -24.155 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.727 16.936 -22.641 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.040 15.319 -24.498 1.00 0.00 H new ATOM 368 N LEU A 24 5.486 12.972 -17.646 1.00 0.00 N ATOM 369 CA LEU A 24 4.933 12.154 -16.580 1.00 0.00 C ATOM 370 C LEU A 24 3.808 11.288 -17.149 1.00 0.00 C ATOM 371 O LEU A 24 3.550 10.193 -16.649 1.00 0.00 O ATOM 372 CB LEU A 24 4.482 13.064 -15.429 1.00 0.00 C ATOM 373 CG LEU A 24 3.929 12.287 -14.226 1.00 0.00 C ATOM 374 CD1 LEU A 24 4.188 13.074 -12.947 1.00 0.00 C ATOM 375 CD2 LEU A 24 2.418 12.078 -14.327 1.00 0.00 C ATOM 0 H LEU A 24 5.260 13.965 -17.585 1.00 0.00 H new ATOM 0 HA LEU A 24 5.680 11.475 -16.170 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.326 13.673 -15.104 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.717 13.749 -15.794 1.00 0.00 H new ATOM 0 HG LEU A 24 4.430 11.319 -14.215 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.795 12.521 -12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.261 13.221 -12.821 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.694 14.044 -13.010 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.068 11.524 -13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.919 13.046 -14.366 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.188 11.514 -15.231 1.00 0.00 H new ATOM 387 N GLU A 25 3.137 11.776 -18.198 1.00 0.00 N ATOM 388 CA GLU A 25 2.094 11.021 -18.876 1.00 0.00 C ATOM 389 C GLU A 25 2.712 9.985 -19.819 1.00 0.00 C ATOM 390 O GLU A 25 2.071 8.985 -20.136 1.00 0.00 O ATOM 391 CB GLU A 25 1.178 11.998 -19.614 1.00 0.00 C ATOM 392 CG GLU A 25 -0.027 11.274 -20.216 1.00 0.00 C ATOM 393 CD GLU A 25 -0.992 12.267 -20.857 1.00 0.00 C ATOM 394 OE1 GLU A 25 -0.820 12.552 -22.064 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.900 12.740 -20.134 1.00 0.00 O ATOM 0 H GLU A 25 3.305 12.701 -18.594 1.00 0.00 H new ATOM 0 HA GLU A 25 1.496 10.469 -18.151 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.835 12.771 -18.926 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.737 12.500 -20.404 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.311 10.555 -20.962 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.542 10.709 -19.439 1.00 0.00 H new ATOM 402 N VAL A 26 3.951 10.208 -20.272 1.00 0.00 N ATOM 403 CA VAL A 26 4.662 9.223 -21.083 1.00 0.00 C ATOM 404 C VAL A 26 5.039 8.017 -20.224 1.00 0.00 C ATOM 405 O VAL A 26 5.152 6.905 -20.734 1.00 0.00 O ATOM 406 CB VAL A 26 5.896 9.874 -21.716 1.00 0.00 C ATOM 407 CG1 VAL A 26 6.747 8.850 -22.470 1.00 0.00 C ATOM 408 CG2 VAL A 26 5.464 10.948 -22.711 1.00 0.00 C ATOM 0 H VAL A 26 4.478 11.062 -20.089 1.00 0.00 H new ATOM 0 HA VAL A 26 4.017 8.869 -21.887 1.00 0.00 H new ATOM 0 HB VAL A 26 6.485 10.306 -20.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.613 9.347 -22.906 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.082 8.076 -21.779 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.152 8.396 -23.263 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.346 11.407 -23.157 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.855 10.495 -23.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.881 11.710 -22.194 1.00 0.00 H new ATOM 418 N LEU A 27 5.230 8.232 -18.916 1.00 0.00 N ATOM 419 CA LEU A 27 5.464 7.147 -17.968 1.00 0.00 C ATOM 420 C LEU A 27 4.132 6.616 -17.431 1.00 0.00 C ATOM 421 O LEU A 27 4.118 5.670 -16.644 1.00 0.00 O ATOM 422 CB LEU A 27 6.372 7.629 -16.830 1.00 0.00 C ATOM 423 CG LEU A 27 7.875 7.515 -17.132 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.302 6.052 -17.266 1.00 0.00 C ATOM 425 CD2 LEU A 27 8.277 8.252 -18.408 1.00 0.00 C ATOM 0 H LEU A 27 5.226 9.160 -18.492 1.00 0.00 H new ATOM 0 HA LEU A 27 5.969 6.327 -18.479 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.135 8.669 -16.607 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.148 7.052 -15.933 1.00 0.00 H new ATOM 0 HG LEU A 27 8.382 7.980 -16.286 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.370 6.003 -17.480 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.093 5.525 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.747 5.584 -18.079 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.349 8.138 -18.572 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.734 7.835 -19.256 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.036 9.310 -18.308 1.00 0.00 H new ATOM 437 N ASP A 28 3.022 7.223 -17.858 1.00 0.00 N ATOM 438 CA ASP A 28 1.664 6.818 -17.506 1.00 0.00 C ATOM 439 C ASP A 28 1.467 6.633 -15.995 1.00 0.00 C ATOM 440 O ASP A 28 0.688 5.777 -15.569 1.00 0.00 O ATOM 441 CB ASP A 28 1.270 5.586 -18.330 1.00 0.00 C ATOM 442 CG ASP A 28 -0.222 5.273 -18.219 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.546 4.073 -18.060 1.00 0.00 O ATOM 444 OD2 ASP A 28 -1.029 6.226 -18.293 1.00 0.00 O ATOM 0 H ASP A 28 3.047 8.034 -18.476 1.00 0.00 H new ATOM 0 HA ASP A 28 0.982 7.628 -17.764 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.528 5.752 -19.376 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.847 4.725 -17.992 1.00 0.00 H new ATOM 449 N LYS A 29 2.169 7.430 -15.180 1.00 0.00 N ATOM 450 CA LYS A 29 2.075 7.336 -13.727 1.00 0.00 C ATOM 451 C LYS A 29 1.246 8.476 -13.141 1.00 0.00 C ATOM 452 O LYS A 29 0.536 9.170 -13.869 1.00 0.00 O ATOM 453 CB LYS A 29 3.465 7.189 -13.107 1.00 0.00 C ATOM 454 CG LYS A 29 4.300 8.466 -13.175 1.00 0.00 C ATOM 455 CD LYS A 29 5.656 8.138 -12.555 1.00 0.00 C ATOM 456 CE LYS A 29 6.542 9.374 -12.454 1.00 0.00 C ATOM 457 NZ LYS A 29 7.916 8.987 -12.074 1.00 0.00 N ATOM 0 H LYS A 29 2.811 8.150 -15.510 1.00 0.00 H new ATOM 0 HA LYS A 29 1.529 6.429 -13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.359 6.888 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.999 6.387 -13.617 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.416 8.798 -14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.813 9.276 -12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.509 7.713 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.157 7.379 -13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.555 9.900 -13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.133 10.064 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.579 9.735 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.967 8.856 -11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.170 8.098 -12.549 1.00 0.00 H new ATOM 471 N THR A 30 1.325 8.672 -11.822 1.00 0.00 N ATOM 472 CA THR A 30 0.419 9.552 -11.096 1.00 0.00 C ATOM 473 C THR A 30 1.077 10.889 -10.742 1.00 0.00 C ATOM 474 O THR A 30 2.134 10.906 -10.113 1.00 0.00 O ATOM 475 CB THR A 30 -0.048 8.801 -9.846 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.872 7.723 -10.239 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.855 9.691 -8.905 1.00 0.00 C ATOM 0 H THR A 30 2.023 8.221 -11.230 1.00 0.00 H new ATOM 0 HA THR A 30 -0.435 9.805 -11.724 1.00 0.00 H new ATOM 0 HB THR A 30 0.842 8.458 -9.319 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.174 7.236 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.164 9.114 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.241 10.532 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.738 10.064 -9.425 1.00 0.00 H new ATOM 485 N PRO A 31 0.471 12.020 -11.131 1.00 0.00 N ATOM 486 CA PRO A 31 0.910 13.346 -10.732 1.00 0.00 C ATOM 487 C PRO A 31 0.393 13.670 -9.331 1.00 0.00 C ATOM 488 O PRO A 31 -0.509 12.995 -8.834 1.00 0.00 O ATOM 489 CB PRO A 31 0.298 14.284 -11.772 1.00 0.00 C ATOM 490 CG PRO A 31 -1.034 13.599 -12.078 1.00 0.00 C ATOM 491 CD PRO A 31 -0.690 12.109 -11.997 1.00 0.00 C ATOM 0 HA PRO A 31 1.995 13.437 -10.692 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.158 15.291 -11.380 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.924 14.372 -12.660 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.803 13.874 -11.356 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.410 13.872 -13.064 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.525 11.536 -11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.473 11.703 -12.985 1.00 0.00 H new ATOM 499 N VAL A 32 0.952 14.699 -8.684 1.00 0.00 N ATOM 500 CA VAL A 32 0.507 15.092 -7.346 1.00 0.00 C ATOM 501 C VAL A 32 0.359 16.603 -7.203 1.00 0.00 C ATOM 502 O VAL A 32 -0.460 17.057 -6.405 1.00 0.00 O ATOM 503 CB VAL A 32 1.466 14.551 -6.278 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.502 13.031 -6.305 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.903 15.028 -6.483 1.00 0.00 C ATOM 0 H VAL A 32 1.708 15.270 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.480 14.654 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 32 1.086 14.926 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.189 12.670 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.503 12.640 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.840 12.692 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.539 14.615 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.262 14.693 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.935 16.117 -6.440 1.00 0.00 H new ATOM 515 N GLY A 33 1.132 17.395 -7.953 1.00 0.00 N ATOM 516 CA GLY A 33 0.997 18.843 -7.911 1.00 0.00 C ATOM 517 C GLY A 33 2.195 19.562 -8.524 1.00 0.00 C ATOM 518 O GLY A 33 3.158 18.936 -8.964 1.00 0.00 O ATOM 0 H GLY A 33 1.852 17.055 -8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.091 19.135 -8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.876 19.163 -6.876 1.00 0.00 H new ATOM 522 N THR A 34 2.114 20.893 -8.540 1.00 0.00 N ATOM 523 CA THR A 34 3.180 21.777 -8.993 1.00 0.00 C ATOM 524 C THR A 34 3.285 22.952 -8.021 1.00 0.00 C ATOM 525 O THR A 34 2.261 23.453 -7.553 1.00 0.00 O ATOM 526 CB THR A 34 2.895 22.294 -10.407 1.00 0.00 C ATOM 527 OG1 THR A 34 1.637 22.932 -10.450 1.00 0.00 O ATOM 528 CG2 THR A 34 2.887 21.162 -11.434 1.00 0.00 C ATOM 0 H THR A 34 1.282 21.396 -8.230 1.00 0.00 H new ATOM 0 HA THR A 34 4.119 21.224 -9.020 1.00 0.00 H new ATOM 0 HB THR A 34 3.692 22.996 -10.654 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.467 23.259 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.681 21.570 -12.424 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.859 20.669 -11.440 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.115 20.439 -11.172 1.00 0.00 H new ATOM 536 N VAL A 35 4.507 23.397 -7.718 1.00 0.00 N ATOM 537 CA VAL A 35 4.724 24.517 -6.808 1.00 0.00 C ATOM 538 C VAL A 35 5.869 25.402 -7.301 1.00 0.00 C ATOM 539 O VAL A 35 6.749 24.950 -8.033 1.00 0.00 O ATOM 540 CB VAL A 35 5.005 24.025 -5.382 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.788 23.293 -4.810 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.204 23.082 -5.328 1.00 0.00 C ATOM 0 H VAL A 35 5.365 22.993 -8.094 1.00 0.00 H new ATOM 0 HA VAL A 35 3.810 25.111 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 35 5.225 24.911 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.010 22.953 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.934 23.970 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.552 22.434 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.366 22.759 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.011 22.212 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.092 23.601 -5.690 1.00 0.00 H new ATOM 552 N ASP A 36 5.847 26.672 -6.887 1.00 0.00 N ATOM 553 CA ASP A 36 6.833 27.665 -7.291 1.00 0.00 C ATOM 554 C ASP A 36 7.426 28.398 -6.086 1.00 0.00 C ATOM 555 O ASP A 36 8.167 29.366 -6.253 1.00 0.00 O ATOM 556 CB ASP A 36 6.206 28.641 -8.294 1.00 0.00 C ATOM 557 CG ASP A 36 5.136 29.519 -7.649 1.00 0.00 C ATOM 558 OD1 ASP A 36 4.099 28.958 -7.229 1.00 0.00 O ATOM 559 OD2 ASP A 36 5.357 30.748 -7.583 1.00 0.00 O ATOM 0 H ASP A 36 5.135 27.038 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 36 7.661 27.151 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.985 29.273 -8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.766 28.080 -9.118 1.00 0.00 H new ATOM 564 N THR A 37 7.106 27.941 -4.874 1.00 0.00 N ATOM 565 CA THR A 37 7.606 28.528 -3.638 1.00 0.00 C ATOM 566 C THR A 37 8.115 27.435 -2.711 1.00 0.00 C ATOM 567 O THR A 37 7.722 26.275 -2.829 1.00 0.00 O ATOM 568 CB THR A 37 6.508 29.341 -2.941 1.00 0.00 C ATOM 569 OG1 THR A 37 5.425 28.497 -2.608 1.00 0.00 O ATOM 570 CG2 THR A 37 6.008 30.470 -3.836 1.00 0.00 C ATOM 0 H THR A 37 6.486 27.145 -4.726 1.00 0.00 H new ATOM 0 HA THR A 37 8.429 29.200 -3.883 1.00 0.00 H new ATOM 0 HB THR A 37 6.933 29.776 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.727 29.021 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.230 31.029 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.836 31.137 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.600 30.051 -4.756 1.00 0.00 H new ATOM 578 N VAL A 38 8.997 27.802 -1.776 1.00 0.00 N ATOM 579 CA VAL A 38 9.557 26.845 -0.828 1.00 0.00 C ATOM 580 C VAL A 38 8.522 26.447 0.215 1.00 0.00 C ATOM 581 O VAL A 38 8.625 25.376 0.809 1.00 0.00 O ATOM 582 CB VAL A 38 10.812 27.432 -0.165 1.00 0.00 C ATOM 583 CG1 VAL A 38 11.854 27.790 -1.223 1.00 0.00 C ATOM 584 CG2 VAL A 38 10.491 28.688 0.647 1.00 0.00 C ATOM 0 H VAL A 38 9.336 28.757 -1.659 1.00 0.00 H new ATOM 0 HA VAL A 38 9.843 25.944 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 38 11.203 26.669 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.738 28.205 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.132 26.894 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.437 28.527 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.405 29.072 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.065 29.447 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.774 28.442 1.430 1.00 0.00 H new ATOM 594 N ALA A 39 7.518 27.298 0.446 1.00 0.00 N ATOM 595 CA ALA A 39 6.482 27.025 1.428 1.00 0.00 C ATOM 596 C ALA A 39 5.446 26.051 0.868 1.00 0.00 C ATOM 597 O ALA A 39 4.797 25.343 1.632 1.00 0.00 O ATOM 598 CB ALA A 39 5.831 28.347 1.835 1.00 0.00 C ATOM 0 H ALA A 39 7.407 28.187 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 39 6.924 26.555 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.051 28.157 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.585 29.006 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.393 28.822 0.957 1.00 0.00 H new ATOM 604 N GLY A 40 5.288 26.008 -0.461 1.00 0.00 N ATOM 605 CA GLY A 40 4.344 25.097 -1.092 1.00 0.00 C ATOM 606 C GLY A 40 4.881 23.669 -1.092 1.00 0.00 C ATOM 607 O GLY A 40 4.108 22.716 -1.042 1.00 0.00 O ATOM 0 H GLY A 40 5.805 26.596 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.391 25.131 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.152 25.418 -2.116 1.00 0.00 H new ATOM 611 N ALA A 41 6.208 23.512 -1.146 1.00 0.00 N ATOM 612 CA ALA A 41 6.820 22.195 -1.136 1.00 0.00 C ATOM 613 C ALA A 41 6.814 21.610 0.274 1.00 0.00 C ATOM 614 O ALA A 41 6.720 20.396 0.441 1.00 0.00 O ATOM 615 CB ALA A 41 8.243 22.307 -1.681 1.00 0.00 C ATOM 0 H ALA A 41 6.872 24.285 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 41 6.247 21.519 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.712 21.323 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.213 22.692 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.820 22.986 -1.054 1.00 0.00 H new ATOM 621 N LEU A 42 6.910 22.471 1.293 1.00 0.00 N ATOM 622 CA LEU A 42 6.859 22.030 2.678 1.00 0.00 C ATOM 623 C LEU A 42 5.418 21.745 3.100 1.00 0.00 C ATOM 624 O LEU A 42 5.188 20.964 4.024 1.00 0.00 O ATOM 625 CB LEU A 42 7.494 23.094 3.580 1.00 0.00 C ATOM 626 CG LEU A 42 8.994 23.257 3.312 1.00 0.00 C ATOM 627 CD1 LEU A 42 9.531 24.417 4.148 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.769 21.991 3.676 1.00 0.00 C ATOM 0 H LEU A 42 7.024 23.478 1.177 1.00 0.00 H new ATOM 0 HA LEU A 42 7.423 21.103 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.992 24.049 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.340 22.822 4.624 1.00 0.00 H new ATOM 0 HG LEU A 42 9.127 23.451 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.598 24.537 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.009 25.334 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.369 24.209 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.829 22.142 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.630 21.771 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.401 21.155 3.080 1.00 0.00 H new ATOM 640 N ALA A 43 4.442 22.368 2.435 1.00 0.00 N ATOM 641 CA ALA A 43 3.041 22.158 2.750 1.00 0.00 C ATOM 642 C ALA A 43 2.525 20.863 2.126 1.00 0.00 C ATOM 643 O ALA A 43 1.563 20.283 2.628 1.00 0.00 O ATOM 644 CB ALA A 43 2.230 23.358 2.265 1.00 0.00 C ATOM 0 H ALA A 43 4.606 23.024 1.672 1.00 0.00 H new ATOM 0 HA ALA A 43 2.930 22.064 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.177 23.204 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.584 24.261 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.349 23.466 1.187 1.00 0.00 H new ATOM 650 N ARG A 44 3.154 20.401 1.039 1.00 0.00 N ATOM 651 CA ARG A 44 2.749 19.167 0.377 1.00 0.00 C ATOM 652 C ARG A 44 3.427 17.941 0.983 1.00 0.00 C ATOM 653 O ARG A 44 2.867 16.850 0.915 1.00 0.00 O ATOM 654 CB ARG A 44 3.051 19.266 -1.118 1.00 0.00 C ATOM 655 CG ARG A 44 2.060 20.212 -1.797 1.00 0.00 C ATOM 656 CD ARG A 44 2.364 20.295 -3.292 1.00 0.00 C ATOM 657 NE ARG A 44 1.391 21.144 -3.987 1.00 0.00 N ATOM 658 CZ ARG A 44 0.226 20.707 -4.478 1.00 0.00 C ATOM 659 NH1 ARG A 44 -0.134 19.435 -4.350 1.00 0.00 N ATOM 660 NH2 ARG A 44 -0.587 21.553 -5.103 1.00 0.00 N ATOM 0 H ARG A 44 3.948 20.869 0.602 1.00 0.00 H new ATOM 0 HA ARG A 44 1.676 19.041 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.069 19.626 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.992 18.278 -1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.041 19.857 -1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.124 21.203 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.368 20.693 -3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.351 19.294 -3.724 1.00 0.00 H new ATOM 0 HE ARG A 44 1.617 22.132 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.481 18.777 -3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.026 19.117 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.322 22.532 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.476 21.223 -5.478 1.00 0.00 H new ATOM 674 N VAL A 45 4.613 18.093 1.579 1.00 0.00 N ATOM 675 CA VAL A 45 5.285 16.963 2.214 1.00 0.00 C ATOM 676 C VAL A 45 4.750 16.737 3.626 1.00 0.00 C ATOM 677 O VAL A 45 4.864 15.638 4.163 1.00 0.00 O ATOM 678 CB VAL A 45 6.804 17.175 2.194 1.00 0.00 C ATOM 679 CG1 VAL A 45 7.224 18.283 3.154 1.00 0.00 C ATOM 680 CG2 VAL A 45 7.529 15.884 2.579 1.00 0.00 C ATOM 0 H VAL A 45 5.120 18.976 1.634 1.00 0.00 H new ATOM 0 HA VAL A 45 5.072 16.056 1.648 1.00 0.00 H new ATOM 0 HB VAL A 45 7.077 17.465 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.306 18.407 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.741 19.217 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.925 18.018 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.606 16.052 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.227 15.582 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.272 15.097 1.870 1.00 0.00 H new ATOM 690 N GLU A 46 4.161 17.774 4.235 1.00 0.00 N ATOM 691 CA GLU A 46 3.553 17.655 5.553 1.00 0.00 C ATOM 692 C GLU A 46 2.161 17.022 5.446 1.00 0.00 C ATOM 693 O GLU A 46 1.598 16.588 6.449 1.00 0.00 O ATOM 694 CB GLU A 46 3.509 19.043 6.194 1.00 0.00 C ATOM 695 CG GLU A 46 3.053 19.010 7.654 1.00 0.00 C ATOM 696 CD GLU A 46 3.951 18.125 8.519 1.00 0.00 C ATOM 697 OE1 GLU A 46 3.410 17.499 9.458 1.00 0.00 O ATOM 698 OE2 GLU A 46 5.169 18.076 8.242 1.00 0.00 O ATOM 0 H GLU A 46 4.096 18.707 3.828 1.00 0.00 H new ATOM 0 HA GLU A 46 4.146 16.997 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.499 19.495 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.835 19.681 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.050 20.024 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.028 18.644 7.705 1.00 0.00 H new ATOM 705 N ASP A 47 1.606 16.963 4.232 1.00 0.00 N ATOM 706 CA ASP A 47 0.294 16.378 3.982 1.00 0.00 C ATOM 707 C ASP A 47 0.420 14.964 3.413 1.00 0.00 C ATOM 708 O ASP A 47 -0.567 14.228 3.360 1.00 0.00 O ATOM 709 CB ASP A 47 -0.476 17.303 3.035 1.00 0.00 C ATOM 710 CG ASP A 47 -1.914 16.833 2.836 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.271 16.520 1.676 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.653 16.788 3.846 1.00 0.00 O ATOM 0 H ASP A 47 2.060 17.323 3.393 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.255 16.286 4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.476 18.317 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.031 17.342 2.071 1.00 0.00 H new ATOM 717 N GLY A 48 1.627 14.578 2.988 1.00 0.00 N ATOM 718 CA GLY A 48 1.881 13.263 2.412 1.00 0.00 C ATOM 719 C GLY A 48 1.255 13.127 1.024 1.00 0.00 C ATOM 720 O GLY A 48 0.913 14.122 0.387 1.00 0.00 O ATOM 0 H GLY A 48 2.454 15.173 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.956 13.096 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.479 12.493 3.070 1.00 0.00 H new ATOM 724 N GLY A 49 1.111 11.887 0.554 1.00 0.00 N ATOM 725 CA GLY A 49 0.529 11.613 -0.753 1.00 0.00 C ATOM 726 C GLY A 49 1.534 11.824 -1.884 1.00 0.00 C ATOM 727 O GLY A 49 1.129 12.053 -3.022 1.00 0.00 O ATOM 0 H GLY A 49 1.394 11.052 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.164 10.586 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.333 12.261 -0.909 1.00 0.00 H new ATOM 731 N ILE A 50 2.835 11.750 -1.578 1.00 0.00 N ATOM 732 CA ILE A 50 3.910 11.938 -2.549 1.00 0.00 C ATOM 733 C ILE A 50 5.025 10.930 -2.267 1.00 0.00 C ATOM 734 O ILE A 50 5.286 10.611 -1.107 1.00 0.00 O ATOM 735 CB ILE A 50 4.430 13.380 -2.469 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.271 14.357 -2.722 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.556 13.596 -3.485 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.717 15.815 -2.744 1.00 0.00 C ATOM 0 H ILE A 50 3.171 11.555 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 50 3.538 11.768 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 50 4.835 13.564 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.798 14.113 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.516 14.225 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.915 14.623 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.376 12.910 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.179 13.409 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.855 16.456 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.165 16.073 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.451 15.959 -3.537 1.00 0.00 H new ATOM 750 N ASP A 51 5.684 10.427 -3.318 1.00 0.00 N ATOM 751 CA ASP A 51 6.742 9.435 -3.164 1.00 0.00 C ATOM 752 C ASP A 51 8.120 10.011 -3.497 1.00 0.00 C ATOM 753 O ASP A 51 9.125 9.510 -2.991 1.00 0.00 O ATOM 754 CB ASP A 51 6.426 8.224 -4.041 1.00 0.00 C ATOM 755 CG ASP A 51 5.127 7.536 -3.632 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.976 7.251 -2.422 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.296 7.297 -4.534 1.00 0.00 O ATOM 0 H ASP A 51 5.499 10.695 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 51 6.779 9.127 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.355 8.540 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.247 7.510 -3.980 1.00 0.00 H new ATOM 762 N ALA A 52 8.182 11.048 -4.336 1.00 0.00 N ATOM 763 CA ALA A 52 9.433 11.716 -4.668 1.00 0.00 C ATOM 764 C ALA A 52 9.161 13.099 -5.263 1.00 0.00 C ATOM 765 O ALA A 52 8.006 13.478 -5.449 1.00 0.00 O ATOM 766 CB ALA A 52 10.217 10.859 -5.663 1.00 0.00 C ATOM 0 H ALA A 52 7.365 11.444 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 52 10.020 11.845 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.154 11.357 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.430 9.887 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.626 10.721 -6.569 1.00 0.00 H new ATOM 772 N ALA A 53 10.220 13.859 -5.561 1.00 0.00 N ATOM 773 CA ALA A 53 10.074 15.191 -6.135 1.00 0.00 C ATOM 774 C ALA A 53 11.237 15.555 -7.062 1.00 0.00 C ATOM 775 O ALA A 53 12.270 14.888 -7.074 1.00 0.00 O ATOM 776 CB ALA A 53 9.966 16.208 -4.999 1.00 0.00 C ATOM 0 H ALA A 53 11.187 13.570 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 53 9.170 15.203 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.856 17.209 -5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.098 15.974 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.867 16.167 -4.387 1.00 0.00 H new ATOM 782 N ILE A 54 11.054 16.628 -7.838 1.00 0.00 N ATOM 783 CA ILE A 54 12.067 17.186 -8.723 1.00 0.00 C ATOM 784 C ILE A 54 12.258 18.653 -8.351 1.00 0.00 C ATOM 785 O ILE A 54 11.282 19.349 -8.075 1.00 0.00 O ATOM 786 CB ILE A 54 11.633 17.021 -10.186 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.507 15.527 -10.518 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.649 17.697 -11.113 1.00 0.00 C ATOM 789 CD1 ILE A 54 10.978 15.294 -11.934 1.00 0.00 C ATOM 0 H ILE A 54 10.173 17.141 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 54 13.016 16.662 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 54 10.664 17.497 -10.334 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.481 15.049 -10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.839 15.052 -9.799 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.333 17.575 -12.149 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.709 18.759 -10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.628 17.238 -10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.906 14.223 -12.124 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.992 15.747 -12.033 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.659 15.745 -12.656 1.00 0.00 H new ATOM 801 N LEU A 55 13.509 19.128 -8.342 1.00 0.00 N ATOM 802 CA LEU A 55 13.818 20.468 -7.870 1.00 0.00 C ATOM 803 C LEU A 55 14.564 21.262 -8.943 1.00 0.00 C ATOM 804 O LEU A 55 15.651 20.871 -9.370 1.00 0.00 O ATOM 805 CB LEU A 55 14.641 20.339 -6.577 1.00 0.00 C ATOM 806 CG LEU A 55 14.488 21.505 -5.596 1.00 0.00 C ATOM 807 CD1 LEU A 55 14.712 22.859 -6.261 1.00 0.00 C ATOM 808 CD2 LEU A 55 13.095 21.500 -4.966 1.00 0.00 C ATOM 0 H LEU A 55 14.320 18.597 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 55 12.901 21.018 -7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.353 19.417 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.694 20.242 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 55 15.252 21.363 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.592 23.651 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.719 22.899 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.985 22.996 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.006 22.336 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.342 21.596 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.942 20.564 -4.428 1.00 0.00 H new ATOM 820 N ASP A 56 13.981 22.380 -9.382 1.00 0.00 N ATOM 821 CA ASP A 56 14.620 23.276 -10.335 1.00 0.00 C ATOM 822 C ASP A 56 15.624 24.181 -9.621 1.00 0.00 C ATOM 823 O ASP A 56 15.287 24.836 -8.632 1.00 0.00 O ATOM 824 CB ASP A 56 13.545 24.094 -11.052 1.00 0.00 C ATOM 825 CG ASP A 56 14.141 25.117 -12.016 1.00 0.00 C ATOM 826 OD1 ASP A 56 13.490 26.162 -12.219 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.244 24.839 -12.541 1.00 0.00 O ATOM 0 H ASP A 56 13.054 22.685 -9.084 1.00 0.00 H new ATOM 0 HA ASP A 56 15.170 22.696 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.886 23.421 -11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.931 24.609 -10.313 1.00 0.00 H new ATOM 832 N VAL A 57 16.859 24.220 -10.123 1.00 0.00 N ATOM 833 CA VAL A 57 17.947 24.983 -9.522 1.00 0.00 C ATOM 834 C VAL A 57 18.101 26.334 -10.218 1.00 0.00 C ATOM 835 O VAL A 57 18.820 27.203 -9.727 1.00 0.00 O ATOM 836 CB VAL A 57 19.236 24.154 -9.563 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.379 24.839 -8.818 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.009 22.794 -8.898 1.00 0.00 C ATOM 0 H VAL A 57 17.132 23.717 -10.967 1.00 0.00 H new ATOM 0 HA VAL A 57 17.718 25.193 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 57 19.502 24.042 -10.614 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.273 24.217 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.582 25.808 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.099 24.982 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.931 22.214 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.712 22.942 -7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.222 22.257 -9.427 1.00 0.00 H new ATOM 848 N ASN A 58 17.429 26.525 -11.359 1.00 0.00 N ATOM 849 CA ASN A 58 17.489 27.772 -12.110 1.00 0.00 C ATOM 850 C ASN A 58 16.741 28.905 -11.396 1.00 0.00 C ATOM 851 O ASN A 58 16.547 29.977 -11.972 1.00 0.00 O ATOM 852 CB ASN A 58 16.953 27.548 -13.528 1.00 0.00 C ATOM 853 CG ASN A 58 17.771 26.519 -14.296 1.00 0.00 C ATOM 854 OD1 ASN A 58 18.730 26.865 -14.980 1.00 0.00 O ATOM 855 ND2 ASN A 58 17.401 25.249 -14.194 1.00 0.00 N ATOM 0 H ASN A 58 16.830 25.816 -11.783 1.00 0.00 H new ATOM 0 HA ASN A 58 18.531 28.085 -12.176 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.915 27.218 -13.475 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.960 28.493 -14.071 1.00 0.00 H new ATOM 0 HD21 ASN A 58 17.919 24.525 -14.693 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.599 24.996 -13.617 1.00 0.00 H new ATOM 967 N THR A 66 18.137 26.227 -2.993 1.00 0.00 N ATOM 968 CA THR A 66 17.783 24.817 -3.116 1.00 0.00 C ATOM 969 C THR A 66 17.692 24.109 -1.754 1.00 0.00 C ATOM 970 O THR A 66 18.025 22.928 -1.664 1.00 0.00 O ATOM 971 CB THR A 66 18.783 24.116 -4.048 1.00 0.00 C ATOM 972 OG1 THR A 66 19.118 24.959 -5.131 1.00 0.00 O ATOM 973 CG2 THR A 66 18.200 22.831 -4.641 1.00 0.00 C ATOM 0 HA THR A 66 16.785 24.758 -3.551 1.00 0.00 H new ATOM 0 HB THR A 66 19.659 23.881 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.892 25.886 -4.906 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.937 22.365 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.942 22.143 -3.836 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.305 23.069 -5.216 1.00 0.00 H new ATOM 981 N PRO A 67 17.254 24.777 -0.671 1.00 0.00 N ATOM 982 CA PRO A 67 17.206 24.166 0.650 1.00 0.00 C ATOM 983 C PRO A 67 16.041 23.184 0.771 1.00 0.00 C ATOM 984 O PRO A 67 15.993 22.398 1.715 1.00 0.00 O ATOM 985 CB PRO A 67 17.017 25.336 1.611 1.00 0.00 C ATOM 986 CG PRO A 67 16.174 26.306 0.785 1.00 0.00 C ATOM 987 CD PRO A 67 16.769 26.144 -0.607 1.00 0.00 C ATOM 0 HA PRO A 67 18.108 23.591 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.508 25.032 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 67 17.969 25.776 1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.115 26.047 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.259 27.330 1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.020 26.330 -1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.579 26.855 -0.772 1.00 0.00 H new ATOM 995 N VAL A 68 15.101 23.221 -0.181 1.00 0.00 N ATOM 996 CA VAL A 68 13.924 22.365 -0.155 1.00 0.00 C ATOM 997 C VAL A 68 14.305 20.915 -0.430 1.00 0.00 C ATOM 998 O VAL A 68 13.638 20.002 0.049 1.00 0.00 O ATOM 999 CB VAL A 68 12.922 22.864 -1.201 1.00 0.00 C ATOM 1000 CG1 VAL A 68 11.691 21.956 -1.283 1.00 0.00 C ATOM 1001 CG2 VAL A 68 12.448 24.271 -0.844 1.00 0.00 C ATOM 0 H VAL A 68 15.141 23.846 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 68 13.470 22.407 0.835 1.00 0.00 H new ATOM 0 HB VAL A 68 13.435 22.861 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.003 22.342 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.000 20.948 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.192 21.931 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.736 24.616 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.966 24.256 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.303 24.947 -0.817 1.00 0.00 H new ATOM 1011 N ALA A 69 15.377 20.689 -1.197 1.00 0.00 N ATOM 1012 CA ALA A 69 15.800 19.340 -1.524 1.00 0.00 C ATOM 1013 C ALA A 69 16.307 18.623 -0.273 1.00 0.00 C ATOM 1014 O ALA A 69 16.094 17.424 -0.105 1.00 0.00 O ATOM 1015 CB ALA A 69 16.895 19.414 -2.586 1.00 0.00 C ATOM 0 H ALA A 69 15.959 21.425 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 69 14.955 18.772 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.223 18.406 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.505 19.906 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.740 19.983 -2.198 1.00 0.00 H new ATOM 1021 N GLU A 70 16.978 19.357 0.617 1.00 0.00 N ATOM 1022 CA GLU A 70 17.534 18.779 1.830 1.00 0.00 C ATOM 1023 C GLU A 70 16.464 18.657 2.915 1.00 0.00 C ATOM 1024 O GLU A 70 16.642 17.911 3.875 1.00 0.00 O ATOM 1025 CB GLU A 70 18.742 19.604 2.273 1.00 0.00 C ATOM 1026 CG GLU A 70 19.867 19.439 1.250 1.00 0.00 C ATOM 1027 CD GLU A 70 21.075 20.301 1.611 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.779 19.923 2.576 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.297 21.324 0.927 1.00 0.00 O ATOM 0 H GLU A 70 17.147 20.358 0.514 1.00 0.00 H new ATOM 0 HA GLU A 70 17.880 17.764 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.467 20.655 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.079 19.278 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.166 18.392 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.504 19.714 0.260 1.00 0.00 H new ATOM 1036 N ALA A 71 15.350 19.383 2.775 1.00 0.00 N ATOM 1037 CA ALA A 71 14.216 19.205 3.667 1.00 0.00 C ATOM 1038 C ALA A 71 13.504 17.894 3.333 1.00 0.00 C ATOM 1039 O ALA A 71 12.962 17.232 4.220 1.00 0.00 O ATOM 1040 CB ALA A 71 13.278 20.401 3.533 1.00 0.00 C ATOM 0 H ALA A 71 15.216 20.093 2.055 1.00 0.00 H new ATOM 0 HA ALA A 71 14.554 19.150 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.426 20.272 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.812 21.314 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.925 20.473 2.504 1.00 0.00 H new ATOM 1046 N LEU A 72 13.505 17.512 2.051 1.00 0.00 N ATOM 1047 CA LEU A 72 12.951 16.232 1.637 1.00 0.00 C ATOM 1048 C LEU A 72 13.882 15.105 2.075 1.00 0.00 C ATOM 1049 O LEU A 72 13.428 13.988 2.298 1.00 0.00 O ATOM 1050 CB LEU A 72 12.756 16.214 0.118 1.00 0.00 C ATOM 1051 CG LEU A 72 11.694 17.211 -0.351 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.609 17.163 -1.875 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.319 16.873 0.221 1.00 0.00 C ATOM 0 H LEU A 72 13.884 18.074 1.289 1.00 0.00 H new ATOM 0 HA LEU A 72 11.980 16.086 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.704 16.443 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.470 15.210 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 72 11.982 18.203 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.855 17.870 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.576 17.428 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.335 16.157 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.589 17.601 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.024 15.876 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.361 16.901 1.310 1.00 0.00 H new ATOM 1065 N ALA A 73 15.185 15.391 2.209 1.00 0.00 N ATOM 1066 CA ALA A 73 16.138 14.408 2.703 1.00 0.00 C ATOM 1067 C ALA A 73 15.928 14.163 4.196 1.00 0.00 C ATOM 1068 O ALA A 73 16.274 13.098 4.703 1.00 0.00 O ATOM 1069 CB ALA A 73 17.559 14.899 2.433 1.00 0.00 C ATOM 0 H ALA A 73 15.595 16.297 1.980 1.00 0.00 H new ATOM 0 HA ALA A 73 15.982 13.463 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.274 14.164 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.699 15.035 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.719 15.849 2.943 1.00 0.00 H new ATOM 1075 N ALA A 74 15.356 15.139 4.908 1.00 0.00 N ATOM 1076 CA ALA A 74 15.012 14.980 6.314 1.00 0.00 C ATOM 1077 C ALA A 74 13.688 14.220 6.460 1.00 0.00 C ATOM 1078 O ALA A 74 13.383 13.711 7.538 1.00 0.00 O ATOM 1079 CB ALA A 74 14.938 16.359 6.965 1.00 0.00 C ATOM 0 H ALA A 74 15.122 16.054 4.524 1.00 0.00 H new ATOM 0 HA ALA A 74 15.779 14.393 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.681 16.251 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.904 16.855 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.176 16.957 6.465 1.00 0.00 H new ATOM 1085 N ARG A 75 12.909 14.147 5.373 1.00 0.00 N ATOM 1086 CA ARG A 75 11.678 13.363 5.317 1.00 0.00 C ATOM 1087 C ARG A 75 11.908 12.018 4.623 1.00 0.00 C ATOM 1088 O ARG A 75 10.950 11.301 4.347 1.00 0.00 O ATOM 1089 CB ARG A 75 10.574 14.172 4.632 1.00 0.00 C ATOM 1090 CG ARG A 75 10.255 15.472 5.380 1.00 0.00 C ATOM 1091 CD ARG A 75 9.747 15.195 6.794 1.00 0.00 C ATOM 1092 NE ARG A 75 9.406 16.445 7.487 1.00 0.00 N ATOM 1093 CZ ARG A 75 8.166 16.903 7.673 1.00 0.00 C ATOM 1094 NH1 ARG A 75 7.104 16.244 7.222 1.00 0.00 N ATOM 1095 NH2 ARG A 75 7.968 18.045 8.323 1.00 0.00 N ATOM 0 H ARG A 75 13.121 14.636 4.503 1.00 0.00 H new ATOM 0 HA ARG A 75 11.357 13.143 6.335 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.879 14.408 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.672 13.565 4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.149 16.094 5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.504 16.036 4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.870 14.549 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.509 14.658 7.359 1.00 0.00 H new ATOM 0 HE ARG A 75 10.175 17.005 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.225 15.365 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.168 16.617 7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.764 18.573 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.020 18.394 8.464 1.00 0.00 H new ATOM 1109 N ASP A 76 13.173 11.677 4.343 1.00 0.00 N ATOM 1110 CA ASP A 76 13.560 10.438 3.682 1.00 0.00 C ATOM 1111 C ASP A 76 12.907 10.263 2.307 1.00 0.00 C ATOM 1112 O ASP A 76 12.564 9.150 1.911 1.00 0.00 O ATOM 1113 CB ASP A 76 13.344 9.250 4.624 1.00 0.00 C ATOM 1114 CG ASP A 76 13.985 7.971 4.092 1.00 0.00 C ATOM 1115 OD1 ASP A 76 13.298 6.924 4.125 1.00 0.00 O ATOM 1116 OD2 ASP A 76 15.155 8.046 3.657 1.00 0.00 O ATOM 0 H ASP A 76 13.968 12.272 4.577 1.00 0.00 H new ATOM 0 HA ASP A 76 14.626 10.488 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.762 9.484 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.275 9.088 4.764 1.00 0.00 H new ATOM 1121 N ILE A 77 12.734 11.371 1.572 1.00 0.00 N ATOM 1122 CA ILE A 77 12.177 11.363 0.227 1.00 0.00 C ATOM 1123 C ILE A 77 13.283 11.714 -0.774 1.00 0.00 C ATOM 1124 O ILE A 77 13.999 12.695 -0.574 1.00 0.00 O ATOM 1125 CB ILE A 77 11.004 12.350 0.152 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.865 11.865 1.059 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.501 12.493 -1.285 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.687 12.835 1.073 1.00 0.00 C ATOM 0 H ILE A 77 12.982 12.303 1.905 1.00 0.00 H new ATOM 0 HA ILE A 77 11.794 10.374 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 77 11.350 13.327 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.524 10.887 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.240 11.737 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.670 13.198 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.308 12.861 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.166 11.523 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.906 12.449 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.020 13.807 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.292 12.943 0.063 1.00 0.00 H new ATOM 1140 N PRO A 78 13.438 10.931 -1.852 1.00 0.00 N ATOM 1141 CA PRO A 78 14.463 11.136 -2.863 1.00 0.00 C ATOM 1142 C PRO A 78 14.113 12.301 -3.787 1.00 0.00 C ATOM 1143 O PRO A 78 12.947 12.666 -3.936 1.00 0.00 O ATOM 1144 CB PRO A 78 14.531 9.818 -3.629 1.00 0.00 C ATOM 1145 CG PRO A 78 13.088 9.329 -3.566 1.00 0.00 C ATOM 1146 CD PRO A 78 12.640 9.761 -2.169 1.00 0.00 C ATOM 0 HA PRO A 78 15.423 11.397 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.867 9.962 -4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.220 9.113 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.474 9.781 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.022 8.249 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.576 9.995 -2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.802 8.966 -1.441 1.00 0.00 H new ATOM 1154 N PHE A 79 15.138 12.884 -4.417 1.00 0.00 N ATOM 1155 CA PHE A 79 14.971 14.017 -5.317 1.00 0.00 C ATOM 1156 C PHE A 79 16.102 14.076 -6.345 1.00 0.00 C ATOM 1157 O PHE A 79 17.112 13.386 -6.208 1.00 0.00 O ATOM 1158 CB PHE A 79 14.946 15.312 -4.504 1.00 0.00 C ATOM 1159 CG PHE A 79 16.250 15.604 -3.785 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.329 16.160 -4.488 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.376 15.326 -2.418 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.534 16.426 -3.826 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.580 15.609 -1.756 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.660 16.156 -2.459 1.00 0.00 C ATOM 0 H PHE A 79 16.106 12.579 -4.313 1.00 0.00 H new ATOM 0 HA PHE A 79 14.030 13.896 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.713 16.144 -5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.141 15.255 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.230 16.383 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.548 14.895 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.368 16.841 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.674 15.404 -0.700 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.587 16.369 -1.948 1.00 0.00 H new ATOM 1174 N VAL A 80 15.923 14.912 -7.373 1.00 0.00 N ATOM 1175 CA VAL A 80 16.931 15.179 -8.392 1.00 0.00 C ATOM 1176 C VAL A 80 16.943 16.668 -8.723 1.00 0.00 C ATOM 1177 O VAL A 80 16.007 17.385 -8.371 1.00 0.00 O ATOM 1178 CB VAL A 80 16.674 14.355 -9.659 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.694 12.860 -9.342 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.335 14.718 -10.299 1.00 0.00 C ATOM 0 H VAL A 80 15.056 15.429 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 80 17.904 14.887 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 80 17.472 14.588 -10.364 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.510 12.292 -10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.668 12.587 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.919 12.633 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.185 14.115 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.529 14.524 -9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.335 15.774 -10.568 1.00 0.00 H new ATOM 1190 N PHE A 81 18.000 17.130 -9.396 1.00 0.00 N ATOM 1191 CA PHE A 81 18.160 18.537 -9.734 1.00 0.00 C ATOM 1192 C PHE A 81 17.941 18.794 -11.223 1.00 0.00 C ATOM 1193 O PHE A 81 17.992 17.880 -12.044 1.00 0.00 O ATOM 1194 CB PHE A 81 19.563 19.005 -9.348 1.00 0.00 C ATOM 1195 CG PHE A 81 19.905 18.922 -7.876 1.00 0.00 C ATOM 1196 CD1 PHE A 81 21.049 18.222 -7.470 1.00 0.00 C ATOM 1197 CD2 PHE A 81 19.094 19.554 -6.922 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.402 18.178 -6.114 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.443 19.505 -5.565 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.601 18.823 -5.161 1.00 0.00 C ATOM 0 H PHE A 81 18.764 16.537 -9.719 1.00 0.00 H new ATOM 0 HA PHE A 81 17.407 19.095 -9.178 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.289 18.412 -9.904 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.682 20.039 -9.671 1.00 0.00 H new ATOM 0 HD1 PHE A 81 21.660 17.716 -8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 81 18.202 20.078 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.290 17.648 -5.804 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.820 19.993 -4.830 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.875 18.795 -4.117 1.00 0.00 H new ATOM 1210 N ALA A 82 17.697 20.063 -11.560 1.00 0.00 N ATOM 1211 CA ALA A 82 17.668 20.534 -12.932 1.00 0.00 C ATOM 1212 C ALA A 82 18.426 21.856 -12.989 1.00 0.00 C ATOM 1213 O ALA A 82 18.050 22.812 -12.312 1.00 0.00 O ATOM 1214 CB ALA A 82 16.221 20.685 -13.400 1.00 0.00 C ATOM 0 H ALA A 82 17.513 20.795 -10.874 1.00 0.00 H new ATOM 0 HA ALA A 82 18.147 19.820 -13.602 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.207 21.039 -14.431 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.717 19.720 -13.341 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.706 21.404 -12.763 1.00 0.00 H new ATOM 1220 N THR A 83 19.492 21.909 -13.794 1.00 0.00 N ATOM 1221 CA THR A 83 20.410 23.044 -13.805 1.00 0.00 C ATOM 1222 C THR A 83 21.002 23.250 -15.198 1.00 0.00 C ATOM 1223 O THR A 83 21.152 22.297 -15.957 1.00 0.00 O ATOM 1224 CB THR A 83 21.551 22.785 -12.812 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.050 22.284 -11.588 1.00 0.00 O ATOM 1226 CG2 THR A 83 22.332 24.064 -12.521 1.00 0.00 C ATOM 0 H THR A 83 19.739 21.169 -14.451 1.00 0.00 H new ATOM 0 HA THR A 83 19.856 23.939 -13.521 1.00 0.00 H new ATOM 0 HB THR A 83 22.211 22.050 -13.273 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.794 22.125 -10.971 1.00 0.00 H new ATOM 0 HG21 THR A 83 23.133 23.848 -11.814 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.759 24.448 -13.447 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.662 24.810 -12.093 1.00 0.00 H new ATOM 1234 N GLY A 84 21.336 24.498 -15.531 1.00 0.00 N ATOM 1235 CA GLY A 84 22.052 24.824 -16.755 1.00 0.00 C ATOM 1236 C GLY A 84 23.447 25.339 -16.408 1.00 0.00 C ATOM 1237 O GLY A 84 23.585 26.225 -15.566 1.00 0.00 O ATOM 0 H GLY A 84 21.115 25.310 -14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.126 23.942 -17.391 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.504 25.579 -17.319 1.00 0.00 H new ATOM 1241 N GLY A 85 24.476 24.783 -17.051 1.00 0.00 N ATOM 1242 CA GLY A 85 25.859 25.175 -16.807 1.00 0.00 C ATOM 1243 C GLY A 85 26.818 24.018 -17.070 1.00 0.00 C ATOM 1244 O GLY A 85 26.417 22.971 -17.580 1.00 0.00 O ATOM 0 H GLY A 85 24.371 24.051 -17.753 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.119 26.018 -17.447 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.967 25.513 -15.776 1.00 0.00 H new ATOM 1248 N SER A 86 28.093 24.209 -16.721 1.00 0.00 N ATOM 1249 CA SER A 86 29.112 23.181 -16.873 1.00 0.00 C ATOM 1250 C SER A 86 29.089 22.218 -15.687 1.00 0.00 C ATOM 1251 O SER A 86 28.549 22.536 -14.629 1.00 0.00 O ATOM 1252 CB SER A 86 30.489 23.828 -17.021 1.00 0.00 C ATOM 1253 OG SER A 86 30.506 24.675 -18.152 1.00 0.00 O ATOM 0 H SER A 86 28.442 25.082 -16.326 1.00 0.00 H new ATOM 0 HA SER A 86 28.899 22.607 -17.775 1.00 0.00 H new ATOM 0 HB2 SER A 86 30.730 24.400 -16.125 1.00 0.00 H new ATOM 0 HB3 SER A 86 31.253 23.057 -17.122 1.00 0.00 H new ATOM 0 HG SER A 86 31.391 25.087 -18.239 1.00 0.00 H new ATOM 1259 N ASP A 87 29.682 21.035 -15.868 1.00 0.00 N ATOM 1260 CA ASP A 87 29.699 19.992 -14.847 1.00 0.00 C ATOM 1261 C ASP A 87 30.699 20.289 -13.728 1.00 0.00 C ATOM 1262 O ASP A 87 30.865 19.477 -12.818 1.00 0.00 O ATOM 1263 CB ASP A 87 30.003 18.645 -15.509 1.00 0.00 C ATOM 1264 CG ASP A 87 28.957 18.289 -16.562 1.00 0.00 C ATOM 1265 OD1 ASP A 87 27.856 17.853 -16.156 1.00 0.00 O ATOM 1266 OD2 ASP A 87 29.266 18.454 -17.763 1.00 0.00 O ATOM 0 H ASP A 87 30.164 20.776 -16.729 1.00 0.00 H new ATOM 0 HA ASP A 87 28.715 19.958 -14.379 1.00 0.00 H new ATOM 0 HB2 ASP A 87 30.989 18.681 -15.972 1.00 0.00 H new ATOM 0 HB3 ASP A 87 30.036 17.864 -14.749 1.00 0.00 H new ATOM 1271 N ASP A 88 31.369 21.446 -13.791 1.00 0.00 N ATOM 1272 CA ASP A 88 32.354 21.848 -12.794 1.00 0.00 C ATOM 1273 C ASP A 88 31.984 23.191 -12.156 1.00 0.00 C ATOM 1274 O ASP A 88 32.795 23.797 -11.461 1.00 0.00 O ATOM 1275 CB ASP A 88 33.745 21.861 -13.427 1.00 0.00 C ATOM 1276 CG ASP A 88 34.851 22.036 -12.389 1.00 0.00 C ATOM 1277 OD1 ASP A 88 35.725 22.904 -12.616 1.00 0.00 O ATOM 1278 OD2 ASP A 88 34.817 21.301 -11.375 1.00 0.00 O ATOM 0 H ASP A 88 31.239 22.128 -14.539 1.00 0.00 H new ATOM 0 HA ASP A 88 32.362 21.122 -11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.903 20.929 -13.970 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.803 22.669 -14.156 1.00 0.00 H new ATOM 1283 N SER A 89 30.754 23.661 -12.397 1.00 0.00 N ATOM 1284 CA SER A 89 30.270 24.939 -11.887 1.00 0.00 C ATOM 1285 C SER A 89 29.196 24.754 -10.817 1.00 0.00 C ATOM 1286 O SER A 89 28.522 25.718 -10.449 1.00 0.00 O ATOM 1287 CB SER A 89 29.742 25.789 -13.045 1.00 0.00 C ATOM 1288 OG SER A 89 30.751 25.960 -14.020 1.00 0.00 O ATOM 0 H SER A 89 30.065 23.157 -12.956 1.00 0.00 H new ATOM 0 HA SER A 89 31.106 25.454 -11.414 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.871 25.309 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 89 29.415 26.760 -12.674 1.00 0.00 H new ATOM 0 HG SER A 89 30.404 26.504 -14.758 1.00 0.00 H new ATOM 1294 N VAL A 90 29.033 23.527 -10.312 1.00 0.00 N ATOM 1295 CA VAL A 90 28.015 23.195 -9.316 1.00 0.00 C ATOM 1296 C VAL A 90 28.639 22.347 -8.210 1.00 0.00 C ATOM 1297 O VAL A 90 29.639 21.668 -8.444 1.00 0.00 O ATOM 1298 CB VAL A 90 26.835 22.477 -9.989 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.639 22.426 -9.040 1.00 0.00 C ATOM 1300 CG2 VAL A 90 26.385 23.205 -11.256 1.00 0.00 C ATOM 0 H VAL A 90 29.610 22.732 -10.587 1.00 0.00 H new ATOM 0 HA VAL A 90 27.629 24.108 -8.863 1.00 0.00 H new ATOM 0 HB VAL A 90 27.176 21.473 -10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.809 21.915 -9.528 1.00 0.00 H new ATOM 0 HG12 VAL A 90 25.916 21.886 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 90 25.338 23.441 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 90 25.549 22.669 -11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.073 24.218 -11.002 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.212 23.247 -11.965 1.00 0.00 H new ATOM 1310 N ASP A 91 28.060 22.380 -7.006 1.00 0.00 N ATOM 1311 CA ASP A 91 28.564 21.641 -5.856 1.00 0.00 C ATOM 1312 C ASP A 91 28.578 20.129 -6.107 1.00 0.00 C ATOM 1313 O ASP A 91 27.799 19.607 -6.906 1.00 0.00 O ATOM 1314 CB ASP A 91 27.724 22.001 -4.628 1.00 0.00 C ATOM 1315 CG ASP A 91 28.133 21.199 -3.396 1.00 0.00 C ATOM 1316 OD1 ASP A 91 27.266 20.454 -2.883 1.00 0.00 O ATOM 1317 OD2 ASP A 91 29.305 21.337 -2.981 1.00 0.00 O ATOM 0 H ASP A 91 27.222 22.926 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 91 29.601 21.927 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.828 23.065 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 91 26.671 21.820 -4.844 1.00 0.00 H new ATOM 1322 N SER A 92 29.475 19.422 -5.414 1.00 0.00 N ATOM 1323 CA SER A 92 29.727 18.006 -5.647 1.00 0.00 C ATOM 1324 C SER A 92 28.511 17.124 -5.369 1.00 0.00 C ATOM 1325 O SER A 92 28.461 15.990 -5.846 1.00 0.00 O ATOM 1326 CB SER A 92 30.902 17.559 -4.778 1.00 0.00 C ATOM 1327 OG SER A 92 32.041 18.339 -5.073 1.00 0.00 O ATOM 0 H SER A 92 30.048 19.823 -4.672 1.00 0.00 H new ATOM 0 HA SER A 92 29.960 17.887 -6.705 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.645 17.659 -3.724 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.116 16.505 -4.955 1.00 0.00 H new ATOM 0 HG SER A 92 32.790 18.049 -4.512 1.00 0.00 H new ATOM 1333 N ARG A 93 27.525 17.614 -4.611 1.00 0.00 N ATOM 1334 CA ARG A 93 26.328 16.831 -4.328 1.00 0.00 C ATOM 1335 C ARG A 93 25.399 16.820 -5.539 1.00 0.00 C ATOM 1336 O ARG A 93 24.548 15.941 -5.665 1.00 0.00 O ATOM 1337 CB ARG A 93 25.633 17.383 -3.084 1.00 0.00 C ATOM 1338 CG ARG A 93 26.578 17.301 -1.878 1.00 0.00 C ATOM 1339 CD ARG A 93 25.869 17.757 -0.607 1.00 0.00 C ATOM 1340 NE ARG A 93 25.375 19.134 -0.732 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.421 19.650 0.046 1.00 0.00 C ATOM 1342 NH1 ARG A 93 23.900 18.941 1.044 1.00 0.00 N ATOM 1343 NH2 ARG A 93 23.982 20.887 -0.165 1.00 0.00 N ATOM 0 H ARG A 93 27.535 18.542 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 93 26.609 15.797 -4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.334 18.417 -3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 93 24.723 16.817 -2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 93 26.932 16.277 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 93 27.456 17.923 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 93 25.035 17.088 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 93 26.555 17.690 0.238 1.00 0.00 H new ATOM 0 HE ARG A 93 25.783 19.729 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.229 17.992 1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.171 19.346 1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.374 21.445 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.253 21.278 0.431 1.00 0.00 H new ATOM 1357 N PHE A 94 25.562 17.793 -6.439 1.00 0.00 N ATOM 1358 CA PHE A 94 24.810 17.844 -7.686 1.00 0.00 C ATOM 1359 C PHE A 94 25.527 17.001 -8.733 1.00 0.00 C ATOM 1360 O PHE A 94 24.925 16.596 -9.725 1.00 0.00 O ATOM 1361 CB PHE A 94 24.693 19.292 -8.166 1.00 0.00 C ATOM 1362 CG PHE A 94 23.999 20.232 -7.208 1.00 0.00 C ATOM 1363 CD1 PHE A 94 24.603 20.565 -5.987 1.00 0.00 C ATOM 1364 CD2 PHE A 94 22.752 20.782 -7.544 1.00 0.00 C ATOM 1365 CE1 PHE A 94 23.952 21.427 -5.094 1.00 0.00 C ATOM 1366 CE2 PHE A 94 22.106 21.652 -6.652 1.00 0.00 C ATOM 1367 CZ PHE A 94 22.705 21.974 -5.425 1.00 0.00 C ATOM 0 H PHE A 94 26.219 18.564 -6.320 1.00 0.00 H new ATOM 0 HA PHE A 94 23.807 17.449 -7.526 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.694 19.674 -8.364 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.155 19.302 -9.114 1.00 0.00 H new ATOM 0 HD1 PHE A 94 25.571 20.157 -5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 94 22.290 20.536 -8.489 1.00 0.00 H new ATOM 0 HE1 PHE A 94 24.413 21.670 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 94 21.146 22.074 -6.911 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.207 22.641 -4.738 1.00 0.00 H new ATOM 1377 N ARG A 95 26.817 16.732 -8.511 1.00 0.00 N ATOM 1378 CA ARG A 95 27.595 15.860 -9.383 1.00 0.00 C ATOM 1379 C ARG A 95 27.382 14.395 -9.016 1.00 0.00 C ATOM 1380 O ARG A 95 27.657 13.510 -9.825 1.00 0.00 O ATOM 1381 CB ARG A 95 29.079 16.213 -9.281 1.00 0.00 C ATOM 1382 CG ARG A 95 29.316 17.716 -9.440 1.00 0.00 C ATOM 1383 CD ARG A 95 30.821 17.988 -9.381 1.00 0.00 C ATOM 1384 NE ARG A 95 31.089 19.423 -9.245 1.00 0.00 N ATOM 1385 CZ ARG A 95 32.221 20.021 -9.620 1.00 0.00 C ATOM 1386 NH1 ARG A 95 33.213 19.334 -10.176 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.365 21.331 -9.432 1.00 0.00 N ATOM 0 H ARG A 95 27.345 17.112 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 95 27.258 16.009 -10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.466 15.884 -8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.635 15.674 -10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.907 18.064 -10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.802 18.265 -8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.259 17.451 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.299 17.609 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 95 30.359 20.005 -8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 95 33.118 18.329 -10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 95 34.070 19.811 -10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.613 21.871 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 95 33.228 21.795 -9.716 1.00 0.00 H new ATOM 1401 N ASP A 96 26.892 14.133 -7.797 1.00 0.00 N ATOM 1402 CA ASP A 96 26.630 12.784 -7.319 1.00 0.00 C ATOM 1403 C ASP A 96 25.170 12.382 -7.522 1.00 0.00 C ATOM 1404 O ASP A 96 24.857 11.194 -7.552 1.00 0.00 O ATOM 1405 CB ASP A 96 27.027 12.705 -5.842 1.00 0.00 C ATOM 1406 CG ASP A 96 26.887 11.285 -5.299 1.00 0.00 C ATOM 1407 OD1 ASP A 96 26.011 11.087 -4.427 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.654 10.410 -5.757 1.00 0.00 O ATOM 0 H ASP A 96 26.668 14.860 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 96 27.225 12.078 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.057 13.041 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.402 13.381 -5.260 1.00 0.00 H new ATOM 1413 N ARG A 97 24.275 13.368 -7.664 1.00 0.00 N ATOM 1414 CA ARG A 97 22.865 13.121 -7.932 1.00 0.00 C ATOM 1415 C ARG A 97 22.554 13.357 -9.409 1.00 0.00 C ATOM 1416 O ARG A 97 23.295 14.071 -10.080 1.00 0.00 O ATOM 1417 CB ARG A 97 22.005 14.015 -7.037 1.00 0.00 C ATOM 1418 CG ARG A 97 22.131 13.603 -5.571 1.00 0.00 C ATOM 1419 CD ARG A 97 21.267 14.518 -4.705 1.00 0.00 C ATOM 1420 NE ARG A 97 21.303 14.103 -3.301 1.00 0.00 N ATOM 1421 CZ ARG A 97 20.419 13.277 -2.736 1.00 0.00 C ATOM 1422 NH1 ARG A 97 19.409 12.766 -3.435 1.00 0.00 N ATOM 1423 NH2 ARG A 97 20.545 12.954 -1.450 1.00 0.00 N ATOM 0 H ARG A 97 24.515 14.357 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 97 22.633 12.080 -7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.310 15.055 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 97 20.962 13.952 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 97 21.819 12.566 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 97 23.172 13.663 -5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 97 21.619 15.546 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.239 14.501 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 97 22.054 14.469 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 97 19.299 13.003 -4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.744 12.137 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.314 13.337 -0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.872 12.323 -1.014 1.00 0.00 H new ATOM 1437 N PRO A 98 21.467 12.769 -9.930 1.00 0.00 N ATOM 1438 CA PRO A 98 21.028 12.969 -11.301 1.00 0.00 C ATOM 1439 C PRO A 98 20.738 14.440 -11.592 1.00 0.00 C ATOM 1440 O PRO A 98 20.338 15.190 -10.699 1.00 0.00 O ATOM 1441 CB PRO A 98 19.762 12.124 -11.456 1.00 0.00 C ATOM 1442 CG PRO A 98 19.895 11.070 -10.359 1.00 0.00 C ATOM 1443 CD PRO A 98 20.590 11.842 -9.241 1.00 0.00 C ATOM 0 HA PRO A 98 21.804 12.673 -12.007 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.861 12.724 -11.328 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.703 11.668 -12.444 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.924 10.687 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.484 10.214 -10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.870 12.368 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.152 11.175 -8.588 1.00 0.00 H new ATOM 1451 N VAL A 99 20.935 14.851 -12.849 1.00 0.00 N ATOM 1452 CA VAL A 99 20.706 16.223 -13.280 1.00 0.00 C ATOM 1453 C VAL A 99 20.048 16.247 -14.656 1.00 0.00 C ATOM 1454 O VAL A 99 20.215 15.324 -15.450 1.00 0.00 O ATOM 1455 CB VAL A 99 22.016 17.021 -13.312 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.601 17.175 -11.909 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.055 16.356 -14.217 1.00 0.00 C ATOM 0 H VAL A 99 21.259 14.235 -13.594 1.00 0.00 H new ATOM 0 HA VAL A 99 20.038 16.691 -12.557 1.00 0.00 H new ATOM 0 HB VAL A 99 21.776 18.006 -13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.529 17.745 -11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.888 17.701 -11.273 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.804 16.190 -11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.970 16.948 -14.216 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.271 15.353 -13.848 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.665 16.292 -15.233 1.00 0.00 H new ATOM 1467 N LEU A 100 19.302 17.319 -14.928 1.00 0.00 N ATOM 1468 CA LEU A 100 18.644 17.556 -16.206 1.00 0.00 C ATOM 1469 C LEU A 100 18.787 19.029 -16.584 1.00 0.00 C ATOM 1470 O LEU A 100 18.994 19.874 -15.715 1.00 0.00 O ATOM 1471 CB LEU A 100 17.161 17.174 -16.111 1.00 0.00 C ATOM 1472 CG LEU A 100 16.938 15.674 -15.900 1.00 0.00 C ATOM 1473 CD1 LEU A 100 15.450 15.419 -15.678 1.00 0.00 C ATOM 1474 CD2 LEU A 100 17.384 14.875 -17.127 1.00 0.00 C ATOM 0 H LEU A 100 19.137 18.061 -14.248 1.00 0.00 H new ATOM 0 HA LEU A 100 19.112 16.942 -16.975 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.703 17.722 -15.288 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.653 17.486 -17.023 1.00 0.00 H new ATOM 0 HG LEU A 100 17.523 15.358 -15.036 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.282 14.353 -15.527 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.114 15.968 -14.798 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.889 15.754 -16.550 1.00 0.00 H new ATOM 0 HD21 LEU A 100 17.215 13.813 -16.951 1.00 0.00 H new ATOM 0 HD22 LEU A 100 16.811 15.194 -17.997 1.00 0.00 H new ATOM 0 HD23 LEU A 100 18.445 15.048 -17.308 1.00 0.00 H new ATOM 1486 N GLN A 101 18.671 19.339 -17.877 1.00 0.00 N ATOM 1487 CA GLN A 101 18.728 20.709 -18.364 1.00 0.00 C ATOM 1488 C GLN A 101 17.311 21.257 -18.520 1.00 0.00 C ATOM 1489 O GLN A 101 16.346 20.499 -18.448 1.00 0.00 O ATOM 1490 CB GLN A 101 19.507 20.760 -19.682 1.00 0.00 C ATOM 1491 CG GLN A 101 20.945 20.271 -19.488 1.00 0.00 C ATOM 1492 CD GLN A 101 21.760 20.354 -20.775 1.00 0.00 C ATOM 1493 OE1 GLN A 101 21.266 20.785 -21.814 1.00 0.00 O ATOM 1494 NE2 GLN A 101 23.023 19.947 -20.716 1.00 0.00 N ATOM 0 H GLN A 101 18.535 18.644 -18.611 1.00 0.00 H new ATOM 0 HA GLN A 101 19.253 21.338 -17.645 1.00 0.00 H new ATOM 0 HB2 GLN A 101 19.007 20.143 -20.428 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.515 21.780 -20.065 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.429 20.868 -18.714 1.00 0.00 H new ATOM 0 HG3 GLN A 101 20.932 19.240 -19.134 1.00 0.00 H new ATOM 0 HE21 GLN A 101 23.405 19.594 -19.838 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.611 19.987 -21.548 1.00 0.00 H new ATOM 1503 N LYS A 102 17.171 22.570 -18.734 1.00 0.00 N ATOM 1504 CA LYS A 102 15.859 23.184 -18.901 1.00 0.00 C ATOM 1505 C LYS A 102 15.104 22.613 -20.106 1.00 0.00 C ATOM 1506 O LYS A 102 13.928 22.285 -19.959 1.00 0.00 O ATOM 1507 CB LYS A 102 15.989 24.706 -18.998 1.00 0.00 C ATOM 1508 CG LYS A 102 16.341 25.289 -17.627 1.00 0.00 C ATOM 1509 CD LYS A 102 16.323 26.819 -17.658 1.00 0.00 C ATOM 1510 CE LYS A 102 17.438 27.396 -18.534 1.00 0.00 C ATOM 1511 NZ LYS A 102 18.772 27.092 -17.978 1.00 0.00 N ATOM 0 H LYS A 102 17.952 23.223 -18.795 1.00 0.00 H new ATOM 0 HA LYS A 102 15.268 22.943 -18.018 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.760 24.968 -19.723 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.054 25.137 -19.357 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.631 24.929 -16.882 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.328 24.940 -17.322 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.358 27.161 -18.031 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.427 27.202 -16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.360 26.987 -19.541 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.315 28.476 -18.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.432 27.858 -18.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.706 27.008 -16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.118 26.196 -18.377 1.00 0.00 H new ATOM 1525 N PRO A 103 15.720 22.473 -21.292 1.00 0.00 N ATOM 1526 CA PRO A 103 15.085 21.798 -22.410 1.00 0.00 C ATOM 1527 C PRO A 103 15.030 20.294 -22.138 1.00 0.00 C ATOM 1528 O PRO A 103 15.992 19.709 -21.643 1.00 0.00 O ATOM 1529 CB PRO A 103 15.948 22.127 -23.627 1.00 0.00 C ATOM 1530 CG PRO A 103 17.340 22.301 -23.021 1.00 0.00 C ATOM 1531 CD PRO A 103 17.041 22.948 -21.671 1.00 0.00 C ATOM 0 HA PRO A 103 14.056 22.121 -22.571 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.926 21.326 -24.366 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.610 23.033 -24.129 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.854 21.347 -22.907 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.975 22.933 -23.641 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.787 22.666 -20.928 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.060 24.035 -21.745 1.00 0.00 H new ATOM 1539 N PHE A 104 13.895 19.671 -22.467 1.00 0.00 N ATOM 1540 CA PHE A 104 13.657 18.254 -22.229 1.00 0.00 C ATOM 1541 C PHE A 104 13.572 17.499 -23.557 1.00 0.00 C ATOM 1542 O PHE A 104 13.228 18.081 -24.586 1.00 0.00 O ATOM 1543 CB PHE A 104 12.383 18.084 -21.392 1.00 0.00 C ATOM 1544 CG PHE A 104 12.596 17.980 -19.894 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.732 17.185 -19.126 1.00 0.00 C ATOM 1546 CD2 PHE A 104 13.648 18.660 -19.264 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.947 17.034 -17.751 1.00 0.00 C ATOM 1548 CE2 PHE A 104 13.853 18.516 -17.883 1.00 0.00 C ATOM 1549 CZ PHE A 104 13.009 17.697 -17.127 1.00 0.00 C ATOM 0 H PHE A 104 13.109 20.146 -22.911 1.00 0.00 H new ATOM 0 HA PHE A 104 14.490 17.829 -21.669 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.723 18.929 -21.590 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.863 17.188 -21.731 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.897 16.687 -19.598 1.00 0.00 H new ATOM 0 HD2 PHE A 104 14.302 19.296 -19.843 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.291 16.403 -17.170 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.666 19.040 -17.402 1.00 0.00 H new ATOM 0 HZ PHE A 104 13.176 17.577 -16.067 1.00 0.00 H new ATOM 1559 N THR A 105 13.887 16.201 -23.532 1.00 0.00 N ATOM 1560 CA THR A 105 13.904 15.354 -24.722 1.00 0.00 C ATOM 1561 C THR A 105 13.282 13.994 -24.415 1.00 0.00 C ATOM 1562 O THR A 105 13.175 13.601 -23.255 1.00 0.00 O ATOM 1563 CB THR A 105 15.335 15.169 -25.239 1.00 0.00 C ATOM 1564 OG1 THR A 105 16.115 14.515 -24.263 1.00 0.00 O ATOM 1565 CG2 THR A 105 15.984 16.510 -25.573 1.00 0.00 C ATOM 0 H THR A 105 14.139 15.707 -22.676 1.00 0.00 H new ATOM 0 HA THR A 105 13.316 15.847 -25.497 1.00 0.00 H new ATOM 0 HB THR A 105 15.285 14.569 -26.148 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.028 14.398 -24.599 1.00 0.00 H new ATOM 0 HG21 THR A 105 16.998 16.343 -25.937 1.00 0.00 H new ATOM 0 HG22 THR A 105 15.401 17.015 -26.343 1.00 0.00 H new ATOM 0 HG23 THR A 105 16.017 17.131 -24.678 1.00 0.00 H new ATOM 1573 N MET A 106 12.866 13.267 -25.456 1.00 0.00 N ATOM 1574 CA MET A 106 12.189 11.989 -25.283 1.00 0.00 C ATOM 1575 C MET A 106 13.137 10.897 -24.793 1.00 0.00 C ATOM 1576 O MET A 106 12.706 9.968 -24.114 1.00 0.00 O ATOM 1577 CB MET A 106 11.546 11.599 -26.615 1.00 0.00 C ATOM 1578 CG MET A 106 10.760 10.289 -26.510 1.00 0.00 C ATOM 1579 SD MET A 106 9.373 10.318 -25.342 1.00 0.00 S ATOM 1580 CE MET A 106 8.274 11.469 -26.203 1.00 0.00 C ATOM 0 H MET A 106 12.989 13.547 -26.429 1.00 0.00 H new ATOM 0 HA MET A 106 11.424 12.096 -24.514 1.00 0.00 H new ATOM 0 HB2 MET A 106 10.879 12.397 -26.943 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.320 11.497 -27.376 1.00 0.00 H new ATOM 0 HG2 MET A 106 10.378 10.032 -27.498 1.00 0.00 H new ATOM 0 HG3 MET A 106 11.446 9.494 -26.217 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.292 11.457 -25.730 1.00 0.00 H new ATOM 0 HE2 MET A 106 8.689 12.476 -26.152 1.00 0.00 H new ATOM 0 HE3 MET A 106 8.178 11.169 -27.246 1.00 0.00 H new ATOM 1590 N ASP A 107 14.426 10.989 -25.128 1.00 0.00 N ATOM 1591 CA ASP A 107 15.384 9.956 -24.751 1.00 0.00 C ATOM 1592 C ASP A 107 15.924 10.167 -23.337 1.00 0.00 C ATOM 1593 O ASP A 107 16.036 9.214 -22.565 1.00 0.00 O ATOM 1594 CB ASP A 107 16.516 9.929 -25.776 1.00 0.00 C ATOM 1595 CG ASP A 107 17.529 8.832 -25.457 1.00 0.00 C ATOM 1596 OD1 ASP A 107 17.210 7.654 -25.741 1.00 0.00 O ATOM 1597 OD2 ASP A 107 18.610 9.180 -24.935 1.00 0.00 O ATOM 0 H ASP A 107 14.825 11.765 -25.656 1.00 0.00 H new ATOM 0 HA ASP A 107 14.875 8.992 -24.746 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.104 9.767 -26.772 1.00 0.00 H new ATOM 0 HB3 ASP A 107 17.018 10.896 -25.792 1.00 0.00 H new ATOM 1602 N GLY A 108 16.264 11.412 -22.988 1.00 0.00 N ATOM 1603 CA GLY A 108 16.901 11.704 -21.714 1.00 0.00 C ATOM 1604 C GLY A 108 15.907 11.735 -20.557 1.00 0.00 C ATOM 1605 O GLY A 108 16.272 11.413 -19.428 1.00 0.00 O ATOM 0 H GLY A 108 16.105 12.230 -23.576 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.665 10.953 -21.513 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.409 12.666 -21.778 1.00 0.00 H new ATOM 1609 N VAL A 109 14.656 12.115 -20.825 1.00 0.00 N ATOM 1610 CA VAL A 109 13.655 12.241 -19.771 1.00 0.00 C ATOM 1611 C VAL A 109 12.955 10.910 -19.520 1.00 0.00 C ATOM 1612 O VAL A 109 12.537 10.641 -18.397 1.00 0.00 O ATOM 1613 CB VAL A 109 12.655 13.340 -20.139 1.00 0.00 C ATOM 1614 CG1 VAL A 109 11.640 13.547 -19.014 1.00 0.00 C ATOM 1615 CG2 VAL A 109 13.395 14.658 -20.358 1.00 0.00 C ATOM 0 H VAL A 109 14.316 12.339 -21.760 1.00 0.00 H new ATOM 0 HA VAL A 109 14.151 12.522 -18.842 1.00 0.00 H new ATOM 0 HB VAL A 109 12.137 13.034 -21.048 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.939 14.332 -19.296 1.00 0.00 H new ATOM 0 HG12 VAL A 109 11.095 12.619 -18.840 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.162 13.837 -18.102 1.00 0.00 H new ATOM 0 HG21 VAL A 109 12.680 15.438 -20.620 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.918 14.938 -19.444 1.00 0.00 H new ATOM 0 HG23 VAL A 109 14.116 14.540 -21.167 1.00 0.00 H new ATOM 1625 N ALA A 110 12.821 10.063 -20.544 1.00 0.00 N ATOM 1626 CA ALA A 110 12.190 8.767 -20.357 1.00 0.00 C ATOM 1627 C ALA A 110 13.079 7.872 -19.497 1.00 0.00 C ATOM 1628 O ALA A 110 12.578 7.011 -18.775 1.00 0.00 O ATOM 1629 CB ALA A 110 11.927 8.129 -21.721 1.00 0.00 C ATOM 0 H ALA A 110 13.138 10.253 -21.495 1.00 0.00 H new ATOM 0 HA ALA A 110 11.238 8.893 -19.841 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.454 7.157 -21.583 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.269 8.774 -22.303 1.00 0.00 H new ATOM 0 HB3 ALA A 110 12.871 8.001 -22.251 1.00 0.00 H new ATOM 1635 N LYS A 111 14.398 8.075 -19.568 1.00 0.00 N ATOM 1636 CA LYS A 111 15.343 7.326 -18.748 1.00 0.00 C ATOM 1637 C LYS A 111 15.414 7.908 -17.338 1.00 0.00 C ATOM 1638 O LYS A 111 15.673 7.178 -16.384 1.00 0.00 O ATOM 1639 CB LYS A 111 16.709 7.356 -19.438 1.00 0.00 C ATOM 1640 CG LYS A 111 17.738 6.514 -18.679 1.00 0.00 C ATOM 1641 CD LYS A 111 19.065 6.456 -19.441 1.00 0.00 C ATOM 1642 CE LYS A 111 19.667 7.853 -19.610 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.967 7.791 -20.302 1.00 0.00 N ATOM 0 H LYS A 111 14.833 8.757 -20.190 1.00 0.00 H new ATOM 0 HA LYS A 111 15.014 6.292 -18.646 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.612 6.982 -20.457 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.060 8.386 -19.508 1.00 0.00 H new ATOM 0 HG2 LYS A 111 17.901 6.938 -17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 111 17.353 5.505 -18.534 1.00 0.00 H new ATOM 0 HD2 LYS A 111 19.767 5.817 -18.906 1.00 0.00 H new ATOM 0 HD3 LYS A 111 18.906 6.005 -20.420 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.980 8.482 -20.176 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.794 8.318 -18.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 21.353 8.752 -20.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 21.628 7.209 -19.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 20.839 7.368 -21.244 1.00 0.00 H new ATOM 1657 N ALA A 112 15.185 9.218 -17.194 1.00 0.00 N ATOM 1658 CA ALA A 112 15.265 9.873 -15.898 1.00 0.00 C ATOM 1659 C ALA A 112 13.994 9.650 -15.081 1.00 0.00 C ATOM 1660 O ALA A 112 14.064 9.533 -13.862 1.00 0.00 O ATOM 1661 CB ALA A 112 15.522 11.362 -16.116 1.00 0.00 C ATOM 0 H ALA A 112 14.943 9.840 -17.965 1.00 0.00 H new ATOM 0 HA ALA A 112 16.087 9.440 -15.328 1.00 0.00 H new ATOM 0 HB1 ALA A 112 15.584 11.866 -15.151 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.460 11.494 -16.655 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.706 11.791 -16.697 1.00 0.00 H new ATOM 1667 N LEU A 113 12.831 9.588 -15.736 1.00 0.00 N ATOM 1668 CA LEU A 113 11.573 9.356 -15.038 1.00 0.00 C ATOM 1669 C LEU A 113 11.339 7.865 -14.807 1.00 0.00 C ATOM 1670 O LEU A 113 10.551 7.503 -13.934 1.00 0.00 O ATOM 1671 CB LEU A 113 10.413 9.988 -15.814 1.00 0.00 C ATOM 1672 CG LEU A 113 10.517 11.516 -15.900 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.310 12.043 -16.669 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.535 12.165 -14.515 1.00 0.00 C ATOM 0 H LEU A 113 12.739 9.696 -16.746 1.00 0.00 H new ATOM 0 HA LEU A 113 11.628 9.831 -14.059 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.387 9.573 -16.822 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.472 9.719 -15.334 1.00 0.00 H new ATOM 0 HG LEU A 113 11.451 11.765 -16.404 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.369 13.129 -16.739 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.302 11.615 -17.671 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.395 11.762 -16.147 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.610 13.247 -14.621 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.617 11.915 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.392 11.796 -13.951 1.00 0.00 H new ATOM 1686 N ALA A 114 12.014 7.000 -15.572 1.00 0.00 N ATOM 1687 CA ALA A 114 11.957 5.566 -15.336 1.00 0.00 C ATOM 1688 C ALA A 114 12.876 5.188 -14.173 1.00 0.00 C ATOM 1689 O ALA A 114 12.651 4.178 -13.508 1.00 0.00 O ATOM 1690 CB ALA A 114 12.347 4.822 -16.612 1.00 0.00 C ATOM 0 H ALA A 114 12.604 7.275 -16.358 1.00 0.00 H new ATOM 0 HA ALA A 114 10.940 5.280 -15.067 1.00 0.00 H new ATOM 0 HB1 ALA A 114 12.304 3.747 -16.434 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.656 5.085 -17.412 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.360 5.102 -16.901 1.00 0.00 H new ATOM 1696 N ALA A 115 13.916 5.992 -13.919 1.00 0.00 N ATOM 1697 CA ALA A 115 14.784 5.793 -12.768 1.00 0.00 C ATOM 1698 C ALA A 115 14.116 6.353 -11.511 1.00 0.00 C ATOM 1699 O ALA A 115 14.399 5.908 -10.400 1.00 0.00 O ATOM 1700 CB ALA A 115 16.122 6.481 -13.031 1.00 0.00 C ATOM 0 H ALA A 115 14.172 6.788 -14.503 1.00 0.00 H new ATOM 0 HA ALA A 115 14.959 4.729 -12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 115 16.780 6.337 -12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 115 16.584 6.050 -13.919 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.958 7.547 -13.188 1.00 0.00 H new ATOM 1706 N LEU A 116 13.225 7.334 -11.689 1.00 0.00 N ATOM 1707 CA LEU A 116 12.399 7.888 -10.625 1.00 0.00 C ATOM 1708 C LEU A 116 11.060 7.156 -10.529 1.00 0.00 C ATOM 1709 O LEU A 116 10.059 7.754 -10.140 1.00 0.00 O ATOM 1710 CB LEU A 116 12.219 9.395 -10.822 1.00 0.00 C ATOM 1711 CG LEU A 116 13.538 10.158 -10.672 1.00 0.00 C ATOM 1712 CD1 LEU A 116 13.294 11.635 -10.963 1.00 0.00 C ATOM 1713 CD2 LEU A 116 14.094 10.023 -9.255 1.00 0.00 C ATOM 0 H LEU A 116 13.059 7.770 -12.596 1.00 0.00 H new ATOM 0 HA LEU A 116 12.908 7.738 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.802 9.583 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.499 9.771 -10.096 1.00 0.00 H new ATOM 0 HG LEU A 116 14.260 9.739 -11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.229 12.186 -10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.918 11.748 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.560 12.028 -10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.031 10.575 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.375 10.427 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 116 14.273 8.971 -9.033 1.00 0.00 H new ATOM 1725 N LEU A 117 11.037 5.867 -10.888 1.00 0.00 N ATOM 1726 CA LEU A 117 9.837 5.047 -10.780 1.00 0.00 C ATOM 1727 C LEU A 117 10.076 3.811 -9.909 1.00 0.00 C ATOM 1728 O LEU A 117 9.117 3.179 -9.464 1.00 0.00 O ATOM 1729 CB LEU A 117 9.374 4.680 -12.195 1.00 0.00 C ATOM 1730 CG LEU A 117 8.028 3.950 -12.216 1.00 0.00 C ATOM 1731 CD1 LEU A 117 6.949 4.750 -11.490 1.00 0.00 C ATOM 1732 CD2 LEU A 117 7.604 3.757 -13.671 1.00 0.00 C ATOM 0 H LEU A 117 11.847 5.371 -11.259 1.00 0.00 H new ATOM 0 HA LEU A 117 9.048 5.611 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.297 5.588 -12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.129 4.051 -12.666 1.00 0.00 H new ATOM 0 HG LEU A 117 8.143 2.992 -11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.006 4.204 -11.524 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.244 4.901 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.825 5.718 -11.976 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.646 3.238 -13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.507 4.729 -14.154 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.356 3.166 -14.194 1.00 0.00 H new ATOM 1744 N VAL A 118 11.345 3.463 -9.664 1.00 0.00 N ATOM 1745 CA VAL A 118 11.725 2.278 -8.898 1.00 0.00 C ATOM 1746 C VAL A 118 12.861 2.588 -7.929 1.00 0.00 C ATOM 1747 O VAL A 118 13.636 3.526 -8.218 1.00 0.00 O ATOM 1748 CB VAL A 118 12.116 1.133 -9.840 1.00 0.00 C ATOM 1749 CG1 VAL A 118 10.923 0.713 -10.700 1.00 0.00 C ATOM 1750 CG2 VAL A 118 13.276 1.520 -10.759 1.00 0.00 C ATOM 0 H VAL A 118 12.143 4.004 -9.997 1.00 0.00 H new ATOM 0 HA VAL A 118 10.861 1.966 -8.311 1.00 0.00 H new ATOM 0 HB VAL A 118 12.433 0.301 -9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 118 11.220 -0.100 -11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 118 10.110 0.378 -10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 118 10.588 1.562 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.521 0.680 -11.409 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.988 2.378 -11.367 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.147 1.778 -10.157 1.00 0.00 H new