USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.141 K(o=-0.14,f=-2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 19 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.032) USER MOD Single : A 22 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-2.7) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00704 X(o=-0.007,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.426 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.29) USER MOD Single : A 39 GLN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.529 K(o=-0.53,f=-5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00408) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00375 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -161:sc= -0.212 (180deg=-0.447) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.881 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -120:sc= -0.189 (180deg=-2.09!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.106 10.797 11.320 1.00 0.00 N ATOM 60 CA GLY A 7 5.027 9.929 10.884 1.00 0.00 C ATOM 61 C GLY A 7 3.670 10.596 10.987 1.00 0.00 C ATOM 62 O GLY A 7 3.559 11.728 11.460 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.203 9.627 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.029 9.021 11.487 1.00 0.00 H new ATOM 66 N LEU A 8 2.633 9.894 10.541 1.00 0.00 N ATOM 67 CA LEU A 8 1.275 10.425 10.584 1.00 0.00 C ATOM 68 C LEU A 8 0.326 9.440 11.259 1.00 0.00 C ATOM 69 O LEU A 8 0.537 8.228 11.215 1.00 0.00 O ATOM 70 CB LEU A 8 0.784 10.737 9.169 1.00 0.00 C ATOM 71 CG LEU A 8 1.158 9.720 8.090 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.046 8.698 7.911 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.455 10.424 6.774 1.00 0.00 C ATOM 0 H LEU A 8 2.707 8.957 10.146 1.00 0.00 H new ATOM 0 HA LEU A 8 1.289 11.345 11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.302 10.827 9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.178 11.710 8.875 1.00 0.00 H new ATOM 0 HG LEU A 8 2.058 9.195 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.330 7.983 7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.119 8.171 8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.871 9.207 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.719 9.685 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.573 10.976 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.286 11.116 6.911 1.00 0.00 H new ATOM 85 N THR A 9 -0.723 9.969 11.881 1.00 0.00 N ATOM 86 CA THR A 9 -1.705 9.137 12.564 1.00 0.00 C ATOM 87 C THR A 9 -2.978 8.998 11.737 1.00 0.00 C ATOM 88 O THR A 9 -3.796 9.916 11.678 1.00 0.00 O ATOM 89 CB THR A 9 -2.066 9.714 13.947 1.00 0.00 C ATOM 90 OG1 THR A 9 -0.878 9.897 14.726 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.024 8.791 14.684 1.00 0.00 C ATOM 0 H THR A 9 -0.914 10.970 11.926 1.00 0.00 H new ATOM 0 HA THR A 9 -1.250 8.155 12.695 1.00 0.00 H new ATOM 0 HB THR A 9 -2.555 10.677 13.799 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.115 10.265 15.603 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.265 9.219 15.657 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.938 8.676 14.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.556 7.816 14.822 1.00 0.00 H new ATOM 99 N VAL A 10 -3.140 7.843 11.099 1.00 0.00 N ATOM 100 CA VAL A 10 -4.315 7.583 10.276 1.00 0.00 C ATOM 101 C VAL A 10 -4.986 6.273 10.675 1.00 0.00 C ATOM 102 O VAL A 10 -4.318 5.263 10.900 1.00 0.00 O ATOM 103 CB VAL A 10 -3.951 7.526 8.780 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.689 6.704 8.569 1.00 0.00 C ATOM 105 CG2 VAL A 10 -5.108 6.958 7.972 1.00 0.00 C ATOM 0 H VAL A 10 -2.472 7.073 11.136 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.007 8.408 10.443 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.758 8.541 8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.447 6.675 7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.863 7.158 9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.851 5.689 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.834 6.925 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.335 5.950 8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.986 7.591 8.099 1.00 0.00 H new ATOM 115 N THR A 11 -6.313 6.296 10.760 1.00 0.00 N ATOM 116 CA THR A 11 -7.075 5.111 11.132 1.00 0.00 C ATOM 117 C THR A 11 -7.285 4.193 9.933 1.00 0.00 C ATOM 118 O THR A 11 -7.362 4.652 8.793 1.00 0.00 O ATOM 119 CB THR A 11 -8.447 5.488 11.722 1.00 0.00 C ATOM 120 OG1 THR A 11 -8.289 6.503 12.720 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.127 4.271 12.332 1.00 0.00 C ATOM 0 H THR A 11 -6.882 7.123 10.576 1.00 0.00 H new ATOM 0 HA THR A 11 -6.493 4.586 11.890 1.00 0.00 H new ATOM 0 HB THR A 11 -9.073 5.867 10.915 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.166 6.738 13.089 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.094 4.562 12.742 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.272 3.512 11.563 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.502 3.866 13.128 1.00 0.00 H new ATOM 129 N VAL A 12 -7.379 2.894 10.197 1.00 0.00 N ATOM 130 CA VAL A 12 -7.583 1.912 9.139 1.00 0.00 C ATOM 131 C VAL A 12 -8.825 1.069 9.403 1.00 0.00 C ATOM 132 O VAL A 12 -8.897 0.341 10.394 1.00 0.00 O ATOM 133 CB VAL A 12 -6.365 0.980 8.996 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.708 -0.218 8.124 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.176 1.741 8.427 1.00 0.00 C ATOM 0 H VAL A 12 -7.317 2.497 11.135 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.716 2.469 8.212 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.093 0.612 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.835 -0.865 8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.528 -0.775 8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.007 0.126 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.324 1.067 8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.434 2.139 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.917 2.563 9.095 1.00 0.00 H new ATOM 145 N THR A 13 -9.804 1.171 8.509 1.00 0.00 N ATOM 146 CA THR A 13 -11.045 0.418 8.645 1.00 0.00 C ATOM 147 C THR A 13 -10.890 -1.000 8.109 1.00 0.00 C ATOM 148 O THR A 13 -10.887 -1.220 6.898 1.00 0.00 O ATOM 149 CB THR A 13 -12.206 1.110 7.906 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.360 2.452 8.383 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.505 0.344 8.101 1.00 0.00 C ATOM 0 H THR A 13 -9.761 1.768 7.683 1.00 0.00 H new ATOM 0 HA THR A 13 -11.274 0.378 9.710 1.00 0.00 H new ATOM 0 HB THR A 13 -11.971 1.128 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.099 2.886 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.310 0.852 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.393 -0.667 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.744 0.297 9.163 1.00 0.00 H new ATOM 159 N HIS A 14 -10.762 -1.961 9.019 1.00 0.00 N ATOM 160 CA HIS A 14 -10.607 -3.360 8.637 1.00 0.00 C ATOM 161 C HIS A 14 -11.669 -4.227 9.308 1.00 0.00 C ATOM 162 O HIS A 14 -12.024 -4.005 10.465 1.00 0.00 O ATOM 163 CB HIS A 14 -9.212 -3.862 9.010 1.00 0.00 C ATOM 164 CG HIS A 14 -8.883 -5.203 8.431 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.854 -6.360 9.181 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.570 -5.569 7.166 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.535 -7.379 8.403 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.359 -6.926 7.175 1.00 0.00 N ATOM 0 H HIS A 14 -10.763 -1.796 10.026 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.733 -3.432 7.557 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.472 -3.138 8.671 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.132 -3.915 10.096 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.049 -6.420 10.181 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.499 -4.915 6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.435 -8.407 8.718 1.00 0.00 H new ATOM 177 N SER A 15 -12.171 -5.214 8.573 1.00 0.00 N ATOM 178 CA SER A 15 -13.195 -6.111 9.095 1.00 0.00 C ATOM 179 C SER A 15 -14.331 -5.323 9.739 1.00 0.00 C ATOM 180 O SER A 15 -14.823 -5.683 10.807 1.00 0.00 O ATOM 181 CB SER A 15 -12.586 -7.076 10.115 1.00 0.00 C ATOM 182 OG SER A 15 -11.992 -8.190 9.472 1.00 0.00 O ATOM 0 H SER A 15 -11.885 -5.413 7.614 1.00 0.00 H new ATOM 0 HA SER A 15 -13.601 -6.683 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.837 -6.555 10.711 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.359 -7.419 10.803 1.00 0.00 H new ATOM 0 HG SER A 15 -11.609 -8.790 10.145 1.00 0.00 H new ATOM 188 N ASN A 16 -14.742 -4.244 9.080 1.00 0.00 N ATOM 189 CA ASN A 16 -15.819 -3.402 9.588 1.00 0.00 C ATOM 190 C ASN A 16 -15.496 -2.890 10.988 1.00 0.00 C ATOM 191 O ASN A 16 -16.395 -2.616 11.782 1.00 0.00 O ATOM 192 CB ASN A 16 -17.136 -4.182 9.609 1.00 0.00 C ATOM 193 CG ASN A 16 -17.906 -4.051 8.309 1.00 0.00 C ATOM 194 OD1 ASN A 16 -17.964 -4.987 7.512 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.503 -2.885 8.090 1.00 0.00 N ATOM 0 H ASN A 16 -14.346 -3.932 8.193 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.922 -2.545 8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.929 -5.235 9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.754 -3.824 10.432 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.036 -2.738 7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.428 -2.136 8.779 1.00 0.00 H new ATOM 202 N GLU A 17 -14.206 -2.764 11.283 1.00 0.00 N ATOM 203 CA GLU A 17 -13.765 -2.284 12.587 1.00 0.00 C ATOM 204 C GLU A 17 -12.952 -1.000 12.449 1.00 0.00 C ATOM 205 O GLU A 17 -12.799 -0.464 11.351 1.00 0.00 O ATOM 206 CB GLU A 17 -12.930 -3.355 13.293 1.00 0.00 C ATOM 207 CG GLU A 17 -13.711 -4.614 13.627 1.00 0.00 C ATOM 208 CD GLU A 17 -13.156 -5.342 14.836 1.00 0.00 C ATOM 209 OE1 GLU A 17 -13.587 -5.033 15.966 1.00 0.00 O ATOM 210 OE2 GLU A 17 -12.289 -6.222 14.650 1.00 0.00 O ATOM 0 H GLU A 17 -13.449 -2.987 10.637 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.651 -2.070 13.185 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.084 -3.620 12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.521 -2.937 14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.753 -4.352 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.698 -5.284 12.767 1.00 0.00 H new ATOM 217 N LYS A 18 -12.434 -0.511 13.570 1.00 0.00 N ATOM 218 CA LYS A 18 -11.637 0.710 13.576 1.00 0.00 C ATOM 219 C LYS A 18 -10.328 0.501 14.332 1.00 0.00 C ATOM 220 O LYS A 18 -10.331 0.142 15.510 1.00 0.00 O ATOM 221 CB LYS A 18 -12.427 1.857 14.211 1.00 0.00 C ATOM 222 CG LYS A 18 -12.054 3.225 13.669 1.00 0.00 C ATOM 223 CD LYS A 18 -12.252 4.311 14.713 1.00 0.00 C ATOM 224 CE LYS A 18 -13.717 4.459 15.093 1.00 0.00 C ATOM 225 NZ LYS A 18 -14.507 5.113 14.013 1.00 0.00 N ATOM 0 H LYS A 18 -12.552 -0.942 14.487 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.403 0.967 12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.491 1.688 14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.265 1.846 15.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.014 3.217 13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.661 3.448 12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.667 4.074 15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.877 5.260 14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.138 3.476 15.307 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.797 5.046 16.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.485 5.257 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.081 6.032 13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.508 4.507 13.168 1.00 0.00 H new ATOM 239 N HIS A 19 -9.212 0.730 13.648 1.00 0.00 N ATOM 240 CA HIS A 19 -7.896 0.569 14.256 1.00 0.00 C ATOM 241 C HIS A 19 -6.992 1.751 13.917 1.00 0.00 C ATOM 242 O HIS A 19 -6.746 2.040 12.746 1.00 0.00 O ATOM 243 CB HIS A 19 -7.249 -0.734 13.786 1.00 0.00 C ATOM 244 CG HIS A 19 -8.112 -1.940 13.995 1.00 0.00 C ATOM 245 ND1 HIS A 19 -8.269 -2.549 15.222 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.867 -2.650 13.125 1.00 0.00 C ATOM 247 CE1 HIS A 19 -9.083 -3.582 15.098 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.461 -3.665 13.835 1.00 0.00 N ATOM 0 H HIS A 19 -9.192 1.028 12.673 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.025 0.532 15.338 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.008 -0.649 12.726 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.307 -0.875 14.317 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.981 -2.455 12.069 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.388 -4.246 15.894 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.091 -4.368 13.450 1.00 0.00 H new ATOM 257 N ASP A 20 -6.503 2.431 14.948 1.00 0.00 N ATOM 258 CA ASP A 20 -5.627 3.581 14.759 1.00 0.00 C ATOM 259 C ASP A 20 -4.172 3.141 14.638 1.00 0.00 C ATOM 260 O ASP A 20 -3.668 2.387 15.472 1.00 0.00 O ATOM 261 CB ASP A 20 -5.780 4.562 15.922 1.00 0.00 C ATOM 262 CG ASP A 20 -5.626 3.889 17.272 1.00 0.00 C ATOM 263 OD1 ASP A 20 -4.478 3.567 17.647 1.00 0.00 O ATOM 264 OD2 ASP A 20 -6.651 3.686 17.954 1.00 0.00 O ATOM 0 H ASP A 20 -6.698 2.206 15.923 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.916 4.079 13.833 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.036 5.353 15.827 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.759 5.037 15.866 1.00 0.00 H new ATOM 269 N LEU A 21 -3.501 3.615 13.593 1.00 0.00 N ATOM 270 CA LEU A 21 -2.103 3.270 13.361 1.00 0.00 C ATOM 271 C LEU A 21 -1.274 4.518 13.074 1.00 0.00 C ATOM 272 O LEU A 21 -1.771 5.487 12.499 1.00 0.00 O ATOM 273 CB LEU A 21 -1.987 2.287 12.194 1.00 0.00 C ATOM 274 CG LEU A 21 -2.965 1.113 12.206 1.00 0.00 C ATOM 275 CD1 LEU A 21 -3.001 0.434 10.846 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.589 0.115 13.292 1.00 0.00 C ATOM 0 H LEU A 21 -3.903 4.239 12.893 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.716 2.799 14.265 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.125 2.840 11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.972 1.889 12.180 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.961 1.498 12.424 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.703 -0.400 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.319 1.151 10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.007 0.063 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.297 -0.714 13.285 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.584 -0.264 13.106 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.616 0.607 14.264 1.00 0.00 H new ATOM 288 N HIS A 22 -0.008 4.487 13.476 1.00 0.00 N ATOM 289 CA HIS A 22 0.891 5.615 13.260 1.00 0.00 C ATOM 290 C HIS A 22 1.890 5.308 12.148 1.00 0.00 C ATOM 291 O HIS A 22 2.864 4.585 12.358 1.00 0.00 O ATOM 292 CB HIS A 22 1.636 5.956 14.551 1.00 0.00 C ATOM 293 CG HIS A 22 2.662 7.034 14.383 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.602 7.334 15.347 1.00 0.00 N ATOM 295 CD2 HIS A 22 2.894 7.884 13.356 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.366 8.323 14.919 1.00 0.00 C ATOM 297 NE2 HIS A 22 3.958 8.675 13.713 1.00 0.00 N ATOM 0 H HIS A 22 0.419 3.693 13.953 1.00 0.00 H new ATOM 0 HA HIS A 22 0.291 6.474 12.959 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.914 6.267 15.306 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.124 5.057 14.928 1.00 0.00 H new ATOM 0 HD1 HIS A 22 3.693 6.866 16.249 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.344 7.931 12.428 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.186 8.768 15.463 1.00 0.00 H new ATOM 306 N VAL A 23 1.642 5.861 10.966 1.00 0.00 N ATOM 307 CA VAL A 23 2.519 5.647 9.821 1.00 0.00 C ATOM 308 C VAL A 23 3.852 6.363 10.009 1.00 0.00 C ATOM 309 O VAL A 23 3.896 7.582 10.183 1.00 0.00 O ATOM 310 CB VAL A 23 1.867 6.134 8.514 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.707 5.728 7.314 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.451 5.592 8.392 1.00 0.00 C ATOM 0 H VAL A 23 0.840 6.462 10.776 1.00 0.00 H new ATOM 0 HA VAL A 23 2.693 4.573 9.752 1.00 0.00 H new ATOM 0 HB VAL A 23 1.815 7.222 8.538 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.230 6.081 6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.700 6.169 7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.794 4.642 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.005 5.946 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.477 4.502 8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.145 5.939 9.236 1.00 0.00 H new ATOM 322 N THR A 24 4.939 5.599 9.972 1.00 0.00 N ATOM 323 CA THR A 24 6.274 6.160 10.139 1.00 0.00 C ATOM 324 C THR A 24 7.105 5.985 8.873 1.00 0.00 C ATOM 325 O THR A 24 6.899 5.043 8.109 1.00 0.00 O ATOM 326 CB THR A 24 7.015 5.506 11.321 1.00 0.00 C ATOM 327 OG1 THR A 24 6.980 4.080 11.192 1.00 0.00 O ATOM 328 CG2 THR A 24 6.388 5.915 12.645 1.00 0.00 C ATOM 0 H THR A 24 4.921 4.589 9.828 1.00 0.00 H new ATOM 0 HA THR A 24 6.147 7.223 10.344 1.00 0.00 H new ATOM 0 HB THR A 24 8.050 5.847 11.306 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.454 3.672 11.946 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.928 5.441 13.465 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.441 6.998 12.754 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.345 5.599 12.667 1.00 0.00 H new ATOM 336 N SER A 25 8.047 6.899 8.659 1.00 0.00 N ATOM 337 CA SER A 25 8.908 6.847 7.483 1.00 0.00 C ATOM 338 C SER A 25 9.804 5.612 7.520 1.00 0.00 C ATOM 339 O SER A 25 9.761 4.830 8.469 1.00 0.00 O ATOM 340 CB SER A 25 9.766 8.111 7.398 1.00 0.00 C ATOM 341 OG SER A 25 10.754 8.126 8.414 1.00 0.00 O ATOM 0 H SER A 25 8.233 7.683 9.284 1.00 0.00 H new ATOM 0 HA SER A 25 8.272 6.787 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.245 8.164 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.131 8.992 7.491 1.00 0.00 H new ATOM 0 HG SER A 25 11.290 8.943 8.337 1.00 0.00 H new ATOM 347 N GLN A 26 10.613 5.445 6.479 1.00 0.00 N ATOM 348 CA GLN A 26 11.518 4.305 6.391 1.00 0.00 C ATOM 349 C GLN A 26 12.890 4.654 6.960 1.00 0.00 C ATOM 350 O GLN A 26 13.917 4.240 6.424 1.00 0.00 O ATOM 351 CB GLN A 26 11.657 3.848 4.938 1.00 0.00 C ATOM 352 CG GLN A 26 10.587 2.858 4.507 1.00 0.00 C ATOM 353 CD GLN A 26 10.361 2.859 3.008 1.00 0.00 C ATOM 354 OE1 GLN A 26 11.116 2.243 2.255 1.00 0.00 O ATOM 355 NE2 GLN A 26 9.318 3.551 2.566 1.00 0.00 N ATOM 0 H GLN A 26 10.660 6.084 5.685 1.00 0.00 H new ATOM 0 HA GLN A 26 11.096 3.492 6.981 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.617 4.721 4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.638 3.393 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.874 1.856 4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.651 3.098 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.718 4.047 3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.116 3.587 1.567 1.00 0.00 H new ATOM 364 N GLN A 27 12.897 5.418 8.047 1.00 0.00 N ATOM 365 CA GLN A 27 14.143 5.824 8.688 1.00 0.00 C ATOM 366 C GLN A 27 15.162 6.286 7.652 1.00 0.00 C ATOM 367 O GLN A 27 16.358 6.033 7.786 1.00 0.00 O ATOM 368 CB GLN A 27 14.719 4.667 9.507 1.00 0.00 C ATOM 369 CG GLN A 27 15.885 5.072 10.394 1.00 0.00 C ATOM 370 CD GLN A 27 15.984 4.228 11.649 1.00 0.00 C ATOM 371 OE1 GLN A 27 15.447 4.589 12.697 1.00 0.00 O ATOM 372 NE2 GLN A 27 16.672 3.097 11.550 1.00 0.00 N ATOM 0 H GLN A 27 12.054 5.769 8.503 1.00 0.00 H new ATOM 0 HA GLN A 27 13.925 6.659 9.354 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.930 4.244 10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.046 3.879 8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.813 4.986 9.829 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.777 6.120 10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.101 2.837 10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.772 2.488 12.362 1.00 0.00 H new ATOM 381 N GLY A 28 14.679 6.967 6.616 1.00 0.00 N ATOM 382 CA GLY A 28 15.561 7.454 5.572 1.00 0.00 C ATOM 383 C GLY A 28 14.818 8.222 4.497 1.00 0.00 C ATOM 384 O GLY A 28 15.130 8.104 3.312 1.00 0.00 O ATOM 0 H GLY A 28 13.693 7.190 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.322 8.098 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.082 6.611 5.118 1.00 0.00 H new ATOM 388 N SER A 29 13.832 9.011 4.911 1.00 0.00 N ATOM 389 CA SER A 29 13.038 9.798 3.974 1.00 0.00 C ATOM 390 C SER A 29 12.362 10.967 4.683 1.00 0.00 C ATOM 391 O SER A 29 11.813 10.812 5.774 1.00 0.00 O ATOM 392 CB SER A 29 11.985 8.917 3.299 1.00 0.00 C ATOM 393 OG SER A 29 11.158 8.284 4.261 1.00 0.00 O ATOM 0 H SER A 29 13.564 9.122 5.889 1.00 0.00 H new ATOM 0 HA SER A 29 13.709 10.197 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.373 9.523 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.477 8.163 2.685 1.00 0.00 H new ATOM 0 HG SER A 29 10.492 7.728 3.805 1.00 0.00 H new ATOM 399 N SER A 30 12.406 12.138 4.055 1.00 0.00 N ATOM 400 CA SER A 30 11.801 13.335 4.627 1.00 0.00 C ATOM 401 C SER A 30 10.395 13.041 5.142 1.00 0.00 C ATOM 402 O SER A 30 10.044 13.411 6.261 1.00 0.00 O ATOM 403 CB SER A 30 11.751 14.454 3.584 1.00 0.00 C ATOM 404 OG SER A 30 13.047 14.957 3.313 1.00 0.00 O ATOM 0 H SER A 30 12.854 12.283 3.150 1.00 0.00 H new ATOM 0 HA SER A 30 12.416 13.657 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.304 14.078 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.112 15.261 3.942 1.00 0.00 H new ATOM 0 HG SER A 30 12.988 15.669 2.643 1.00 0.00 H new ATOM 410 N GLU A 31 9.597 12.372 4.315 1.00 0.00 N ATOM 411 CA GLU A 31 8.230 12.029 4.687 1.00 0.00 C ATOM 412 C GLU A 31 7.914 10.581 4.321 1.00 0.00 C ATOM 413 O GLU A 31 8.451 10.025 3.364 1.00 0.00 O ATOM 414 CB GLU A 31 7.239 12.969 3.997 1.00 0.00 C ATOM 415 CG GLU A 31 7.156 12.768 2.493 1.00 0.00 C ATOM 416 CD GLU A 31 6.031 13.563 1.859 1.00 0.00 C ATOM 417 OE1 GLU A 31 4.874 13.095 1.908 1.00 0.00 O ATOM 418 OE2 GLU A 31 6.307 14.652 1.315 1.00 0.00 O ATOM 0 H GLU A 31 9.873 12.058 3.385 1.00 0.00 H new ATOM 0 HA GLU A 31 8.135 12.142 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.250 12.822 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.526 14.000 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.103 13.060 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.013 11.709 2.279 1.00 0.00 H new ATOM 425 N PRO A 32 7.020 9.956 5.102 1.00 0.00 N ATOM 426 CA PRO A 32 6.612 8.565 4.881 1.00 0.00 C ATOM 427 C PRO A 32 5.771 8.402 3.620 1.00 0.00 C ATOM 428 O PRO A 32 5.198 9.367 3.114 1.00 0.00 O ATOM 429 CB PRO A 32 5.781 8.238 6.124 1.00 0.00 C ATOM 430 CG PRO A 32 5.271 9.555 6.597 1.00 0.00 C ATOM 431 CD PRO A 32 6.339 10.558 6.261 1.00 0.00 C ATOM 0 HA PRO A 32 7.469 7.906 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.962 7.559 5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.387 7.751 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.330 9.808 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.077 9.536 7.669 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.914 11.531 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.024 10.710 7.095 1.00 0.00 H new ATOM 439 N VAL A 33 5.699 7.174 3.116 1.00 0.00 N ATOM 440 CA VAL A 33 4.926 6.883 1.915 1.00 0.00 C ATOM 441 C VAL A 33 4.009 5.685 2.127 1.00 0.00 C ATOM 442 O VAL A 33 3.959 5.113 3.217 1.00 0.00 O ATOM 443 CB VAL A 33 5.845 6.605 0.710 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.626 7.855 0.334 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.786 5.449 1.013 1.00 0.00 C ATOM 0 H VAL A 33 6.167 6.364 3.522 1.00 0.00 H new ATOM 0 HA VAL A 33 4.322 7.766 1.707 1.00 0.00 H new ATOM 0 HB VAL A 33 5.224 6.324 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.269 7.639 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.931 8.653 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.238 8.170 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.428 5.267 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.402 5.698 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.204 4.553 1.228 1.00 0.00 H new ATOM 455 N VAL A 34 3.284 5.308 1.079 1.00 0.00 N ATOM 456 CA VAL A 34 2.368 4.175 1.150 1.00 0.00 C ATOM 457 C VAL A 34 3.088 2.916 1.618 1.00 0.00 C ATOM 458 O VAL A 34 2.517 2.094 2.334 1.00 0.00 O ATOM 459 CB VAL A 34 1.709 3.900 -0.214 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.928 2.595 -0.177 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.808 5.059 -0.614 1.00 0.00 C ATOM 0 H VAL A 34 3.313 5.770 0.170 1.00 0.00 H new ATOM 0 HA VAL A 34 1.595 4.437 1.872 1.00 0.00 H new ATOM 0 HB VAL A 34 2.494 3.804 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.469 2.418 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.604 1.773 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.151 2.658 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.351 4.847 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.028 5.189 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.399 5.972 -0.684 1.00 0.00 H new ATOM 471 N GLN A 35 4.344 2.772 1.208 1.00 0.00 N ATOM 472 CA GLN A 35 5.142 1.611 1.586 1.00 0.00 C ATOM 473 C GLN A 35 5.074 1.370 3.091 1.00 0.00 C ATOM 474 O GLN A 35 4.835 0.249 3.539 1.00 0.00 O ATOM 475 CB GLN A 35 6.596 1.803 1.154 1.00 0.00 C ATOM 476 CG GLN A 35 7.522 0.691 1.621 1.00 0.00 C ATOM 477 CD GLN A 35 6.966 -0.690 1.334 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.808 -1.080 0.177 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.666 -1.438 2.389 1.00 0.00 N ATOM 0 H GLN A 35 4.831 3.444 0.615 1.00 0.00 H new ATOM 0 HA GLN A 35 4.731 0.739 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.638 1.866 0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.959 2.754 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.489 0.798 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.695 0.793 2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.813 -1.074 3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.288 -2.376 2.258 1.00 0.00 H new ATOM 488 N ASP A 36 5.286 2.428 3.864 1.00 0.00 N ATOM 489 CA ASP A 36 5.248 2.332 5.319 1.00 0.00 C ATOM 490 C ASP A 36 3.842 1.994 5.805 1.00 0.00 C ATOM 491 O ASP A 36 3.669 1.247 6.769 1.00 0.00 O ATOM 492 CB ASP A 36 5.717 3.644 5.951 1.00 0.00 C ATOM 493 CG ASP A 36 7.223 3.809 5.889 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.936 2.972 6.481 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.688 4.777 5.251 1.00 0.00 O ATOM 0 H ASP A 36 5.486 3.363 3.508 1.00 0.00 H new ATOM 0 HA ASP A 36 5.921 1.530 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.241 4.481 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.393 3.680 6.991 1.00 0.00 H new ATOM 500 N LEU A 37 2.840 2.548 5.132 1.00 0.00 N ATOM 501 CA LEU A 37 1.448 2.306 5.495 1.00 0.00 C ATOM 502 C LEU A 37 1.105 0.824 5.381 1.00 0.00 C ATOM 503 O LEU A 37 0.493 0.248 6.280 1.00 0.00 O ATOM 504 CB LEU A 37 0.517 3.126 4.600 1.00 0.00 C ATOM 505 CG LEU A 37 -0.939 2.661 4.541 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.581 2.739 5.918 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.724 3.493 3.537 1.00 0.00 C ATOM 0 H LEU A 37 2.965 3.168 4.332 1.00 0.00 H new ATOM 0 HA LEU A 37 1.310 2.614 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.533 4.160 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.921 3.120 3.588 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.955 1.621 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.616 2.404 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.034 2.100 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.553 3.769 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.758 3.148 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.699 4.541 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.278 3.386 2.548 1.00 0.00 H new ATOM 519 N ALA A 38 1.506 0.213 4.271 1.00 0.00 N ATOM 520 CA ALA A 38 1.245 -1.203 4.042 1.00 0.00 C ATOM 521 C ALA A 38 1.931 -2.065 5.096 1.00 0.00 C ATOM 522 O ALA A 38 1.411 -3.109 5.491 1.00 0.00 O ATOM 523 CB ALA A 38 1.703 -1.605 2.648 1.00 0.00 C ATOM 0 H ALA A 38 2.013 0.676 3.517 1.00 0.00 H new ATOM 0 HA ALA A 38 0.170 -1.367 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.502 -2.665 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.163 -1.019 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.773 -1.420 2.549 1.00 0.00 H new ATOM 529 N GLN A 39 3.100 -1.622 5.547 1.00 0.00 N ATOM 530 CA GLN A 39 3.857 -2.356 6.555 1.00 0.00 C ATOM 531 C GLN A 39 3.208 -2.221 7.928 1.00 0.00 C ATOM 532 O GLN A 39 3.052 -3.204 8.652 1.00 0.00 O ATOM 533 CB GLN A 39 5.300 -1.850 6.607 1.00 0.00 C ATOM 534 CG GLN A 39 6.189 -2.433 5.521 1.00 0.00 C ATOM 535 CD GLN A 39 6.843 -3.735 5.938 1.00 0.00 C ATOM 536 OE1 GLN A 39 8.021 -3.765 6.295 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.081 -4.821 5.895 1.00 0.00 N ATOM 0 H GLN A 39 3.543 -0.759 5.231 1.00 0.00 H new ATOM 0 HA GLN A 39 3.859 -3.410 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.299 -0.764 6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.726 -2.091 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.596 -2.601 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.962 -1.709 5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.109 -4.751 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.467 -5.726 6.164 1.00 0.00 H new ATOM 546 N VAL A 40 2.832 -0.996 8.282 1.00 0.00 N ATOM 547 CA VAL A 40 2.199 -0.732 9.569 1.00 0.00 C ATOM 548 C VAL A 40 0.992 -1.637 9.783 1.00 0.00 C ATOM 549 O VAL A 40 0.671 -2.005 10.913 1.00 0.00 O ATOM 550 CB VAL A 40 1.753 0.738 9.684 1.00 0.00 C ATOM 551 CG1 VAL A 40 0.983 0.962 10.976 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.954 1.667 9.601 1.00 0.00 C ATOM 0 H VAL A 40 2.955 -0.171 7.695 1.00 0.00 H new ATOM 0 HA VAL A 40 2.944 -0.938 10.337 1.00 0.00 H new ATOM 0 HB VAL A 40 1.089 0.965 8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.676 2.006 11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.100 0.323 10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.620 0.718 11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.620 2.701 9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.645 1.442 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.459 1.524 8.646 1.00 0.00 H new ATOM 562 N VAL A 41 0.325 -1.993 8.690 1.00 0.00 N ATOM 563 CA VAL A 41 -0.848 -2.858 8.757 1.00 0.00 C ATOM 564 C VAL A 41 -0.449 -4.305 9.023 1.00 0.00 C ATOM 565 O VAL A 41 -0.920 -4.922 9.978 1.00 0.00 O ATOM 566 CB VAL A 41 -1.667 -2.794 7.454 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.868 -3.725 7.533 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.108 -1.365 7.172 1.00 0.00 C ATOM 0 H VAL A 41 0.576 -1.696 7.747 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.462 -2.496 9.582 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.034 -3.124 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.435 -3.667 6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.526 -4.748 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.505 -3.427 8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.685 -1.338 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.725 -1.005 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.230 -0.727 7.070 1.00 0.00 H new ATOM 578 N GLU A 42 0.421 -4.839 8.173 1.00 0.00 N ATOM 579 CA GLU A 42 0.883 -6.215 8.317 1.00 0.00 C ATOM 580 C GLU A 42 1.750 -6.370 9.563 1.00 0.00 C ATOM 581 O GLU A 42 1.986 -7.483 10.032 1.00 0.00 O ATOM 582 CB GLU A 42 1.670 -6.645 7.077 1.00 0.00 C ATOM 583 CG GLU A 42 2.080 -8.108 7.093 1.00 0.00 C ATOM 584 CD GLU A 42 2.976 -8.476 5.927 1.00 0.00 C ATOM 585 OE1 GLU A 42 2.851 -7.839 4.860 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.803 -9.399 6.081 1.00 0.00 O ATOM 0 H GLU A 42 0.820 -4.341 7.378 1.00 0.00 H new ATOM 0 HA GLU A 42 0.008 -6.856 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.066 -6.455 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.564 -6.027 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.598 -8.326 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.187 -8.732 7.071 1.00 0.00 H new ATOM 593 N GLU A 43 2.221 -5.246 10.093 1.00 0.00 N ATOM 594 CA GLU A 43 3.063 -5.257 11.283 1.00 0.00 C ATOM 595 C GLU A 43 2.223 -5.086 12.545 1.00 0.00 C ATOM 596 O GLU A 43 2.516 -5.678 13.584 1.00 0.00 O ATOM 597 CB GLU A 43 4.114 -4.148 11.202 1.00 0.00 C ATOM 598 CG GLU A 43 5.151 -4.369 10.114 1.00 0.00 C ATOM 599 CD GLU A 43 6.145 -5.458 10.468 1.00 0.00 C ATOM 600 OE1 GLU A 43 7.073 -5.180 11.257 1.00 0.00 O ATOM 601 OE2 GLU A 43 5.996 -6.587 9.958 1.00 0.00 O ATOM 0 H GLU A 43 2.034 -4.316 9.717 1.00 0.00 H new ATOM 0 HA GLU A 43 3.567 -6.222 11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.613 -3.196 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.621 -4.068 12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.646 -4.631 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.687 -3.437 9.934 1.00 0.00 H new ATOM 608 N VAL A 44 1.178 -4.271 12.447 1.00 0.00 N ATOM 609 CA VAL A 44 0.294 -4.022 13.580 1.00 0.00 C ATOM 610 C VAL A 44 -0.930 -4.929 13.532 1.00 0.00 C ATOM 611 O VAL A 44 -1.157 -5.731 14.439 1.00 0.00 O ATOM 612 CB VAL A 44 -0.170 -2.554 13.617 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.118 -2.323 14.784 1.00 0.00 C ATOM 614 CG2 VAL A 44 1.027 -1.619 13.700 1.00 0.00 C ATOM 0 H VAL A 44 0.923 -3.772 11.595 1.00 0.00 H new ATOM 0 HA VAL A 44 0.867 -4.238 14.482 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.708 -2.338 12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.435 -1.280 14.794 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.991 -2.967 14.677 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.608 -2.556 15.719 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.681 -0.586 13.725 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.594 -1.834 14.606 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.665 -1.767 12.829 1.00 0.00 H new ATOM 624 N ILE A 45 -1.716 -4.798 12.469 1.00 0.00 N ATOM 625 CA ILE A 45 -2.916 -5.608 12.302 1.00 0.00 C ATOM 626 C ILE A 45 -2.570 -7.089 12.191 1.00 0.00 C ATOM 627 O ILE A 45 -3.101 -7.918 12.927 1.00 0.00 O ATOM 628 CB ILE A 45 -3.713 -5.183 11.054 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.996 -3.680 11.090 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.012 -5.970 10.962 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.764 -3.181 9.886 1.00 0.00 C ATOM 0 H ILE A 45 -1.543 -4.138 11.710 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.530 -5.447 13.188 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.116 -5.400 10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.560 -3.446 11.993 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.050 -3.142 11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.564 -5.659 10.075 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.788 -7.035 10.895 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.615 -5.781 11.850 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.929 -2.108 9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.192 -3.383 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.725 -3.692 9.830 1.00 0.00 H new ATOM 643 N GLY A 46 -1.673 -7.413 11.264 1.00 0.00 N ATOM 644 CA GLY A 46 -1.269 -8.794 11.074 1.00 0.00 C ATOM 645 C GLY A 46 -1.718 -9.351 9.738 1.00 0.00 C ATOM 646 O GLY A 46 -1.700 -10.563 9.525 1.00 0.00 O ATOM 0 H GLY A 46 -1.219 -6.744 10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.184 -8.865 11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.684 -9.404 11.876 1.00 0.00 H new ATOM 650 N VAL A 47 -2.124 -8.463 8.835 1.00 0.00 N ATOM 651 CA VAL A 47 -2.581 -8.873 7.513 1.00 0.00 C ATOM 652 C VAL A 47 -1.515 -8.606 6.456 1.00 0.00 C ATOM 653 O VAL A 47 -0.925 -7.527 6.393 1.00 0.00 O ATOM 654 CB VAL A 47 -3.877 -8.142 7.115 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.250 -8.461 5.676 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.008 -8.510 8.063 1.00 0.00 C ATOM 0 H VAL A 47 -2.145 -7.456 8.995 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.778 -9.944 7.564 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.706 -7.068 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.168 -7.936 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.446 -8.142 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.403 -9.535 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.916 -7.985 7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.181 -9.585 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.738 -8.224 9.080 1.00 0.00 H new ATOM 666 N PRO A 48 -1.261 -9.611 5.605 1.00 0.00 N ATOM 667 CA PRO A 48 -0.265 -9.508 4.534 1.00 0.00 C ATOM 668 C PRO A 48 -0.699 -8.551 3.429 1.00 0.00 C ATOM 669 O PRO A 48 -1.892 -8.375 3.182 1.00 0.00 O ATOM 670 CB PRO A 48 -0.173 -10.939 3.997 1.00 0.00 C ATOM 671 CG PRO A 48 -1.489 -11.553 4.328 1.00 0.00 C ATOM 672 CD PRO A 48 -1.926 -10.924 5.622 1.00 0.00 C ATOM 0 HA PRO A 48 0.684 -9.112 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.009 -10.948 2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.647 -11.485 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.216 -11.366 3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.400 -12.635 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.010 -10.825 5.674 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.619 -11.519 6.482 1.00 0.00 H new ATOM 680 N GLN A 49 0.277 -7.937 2.767 1.00 0.00 N ATOM 681 CA GLN A 49 -0.006 -6.998 1.688 1.00 0.00 C ATOM 682 C GLN A 49 -0.786 -7.676 0.567 1.00 0.00 C ATOM 683 O GLN A 49 -1.285 -7.015 -0.344 1.00 0.00 O ATOM 684 CB GLN A 49 1.296 -6.413 1.138 1.00 0.00 C ATOM 685 CG GLN A 49 2.151 -5.732 2.195 1.00 0.00 C ATOM 686 CD GLN A 49 3.350 -5.017 1.604 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.501 -4.939 0.384 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.210 -4.490 2.467 1.00 0.00 N ATOM 0 H GLN A 49 1.270 -8.073 2.959 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.616 -6.191 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.875 -7.211 0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.059 -5.693 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.540 -5.016 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.494 -6.476 2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.045 -4.579 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.036 -3.996 2.127 1.00 0.00 H new ATOM 697 N SER A 50 -0.888 -8.999 0.639 1.00 0.00 N ATOM 698 CA SER A 50 -1.604 -9.768 -0.372 1.00 0.00 C ATOM 699 C SER A 50 -3.067 -9.950 0.019 1.00 0.00 C ATOM 700 O SER A 50 -3.901 -10.324 -0.807 1.00 0.00 O ATOM 701 CB SER A 50 -0.943 -11.134 -0.568 1.00 0.00 C ATOM 702 OG SER A 50 0.157 -11.045 -1.458 1.00 0.00 O ATOM 0 H SER A 50 -0.483 -9.561 1.388 1.00 0.00 H new ATOM 0 HA SER A 50 -1.563 -9.215 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.606 -11.520 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.674 -11.843 -0.958 1.00 0.00 H new ATOM 0 HG SER A 50 0.563 -11.930 -1.565 1.00 0.00 H new ATOM 708 N PHE A 51 -3.373 -9.683 1.284 1.00 0.00 N ATOM 709 CA PHE A 51 -4.735 -9.817 1.787 1.00 0.00 C ATOM 710 C PHE A 51 -5.340 -8.450 2.092 1.00 0.00 C ATOM 711 O PHE A 51 -6.546 -8.250 1.954 1.00 0.00 O ATOM 712 CB PHE A 51 -4.753 -10.688 3.045 1.00 0.00 C ATOM 713 CG PHE A 51 -4.583 -12.153 2.762 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.488 -12.612 2.048 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.518 -13.072 3.210 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.328 -13.960 1.787 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.364 -14.421 2.952 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.268 -14.865 2.239 1.00 0.00 C ATOM 0 H PHE A 51 -2.695 -9.372 1.980 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.336 -10.295 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.958 -10.361 3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.696 -10.535 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.751 -11.908 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.377 -12.730 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.469 -14.305 1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.100 -15.127 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.146 -15.919 2.035 1.00 0.00 H new ATOM 728 N GLN A 52 -4.493 -7.514 2.508 1.00 0.00 N ATOM 729 CA GLN A 52 -4.943 -6.167 2.834 1.00 0.00 C ATOM 730 C GLN A 52 -4.989 -5.291 1.586 1.00 0.00 C ATOM 731 O GLN A 52 -4.112 -5.372 0.725 1.00 0.00 O ATOM 732 CB GLN A 52 -4.022 -5.537 3.880 1.00 0.00 C ATOM 733 CG GLN A 52 -2.595 -5.339 3.394 1.00 0.00 C ATOM 734 CD GLN A 52 -1.920 -4.146 4.040 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.476 -3.048 4.078 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.712 -4.354 4.551 1.00 0.00 N ATOM 0 H GLN A 52 -3.491 -7.664 2.627 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.951 -6.238 3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.432 -4.572 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.010 -6.168 4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.015 -6.238 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.598 -5.208 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.288 -5.280 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.208 -3.587 4.997 1.00 0.00 H new ATOM 745 N LYS A 53 -6.016 -4.453 1.494 1.00 0.00 N ATOM 746 CA LYS A 53 -6.176 -3.561 0.352 1.00 0.00 C ATOM 747 C LYS A 53 -6.471 -2.137 0.812 1.00 0.00 C ATOM 748 O LYS A 53 -7.528 -1.864 1.383 1.00 0.00 O ATOM 749 CB LYS A 53 -7.303 -4.059 -0.556 1.00 0.00 C ATOM 750 CG LYS A 53 -7.359 -3.350 -1.899 1.00 0.00 C ATOM 751 CD LYS A 53 -8.774 -3.319 -2.453 1.00 0.00 C ATOM 752 CE LYS A 53 -9.219 -4.696 -2.921 1.00 0.00 C ATOM 753 NZ LYS A 53 -10.195 -4.611 -4.044 1.00 0.00 N ATOM 0 H LYS A 53 -6.750 -4.373 2.197 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.241 -3.557 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.177 -5.129 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.256 -3.926 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.987 -2.331 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.701 -3.855 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.458 -2.955 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.825 -2.617 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.349 -5.271 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.670 -5.235 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.474 -5.570 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.036 -4.085 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.756 -4.119 -4.849 1.00 0.00 H new ATOM 767 N LEU A 54 -5.532 -1.232 0.559 1.00 0.00 N ATOM 768 CA LEU A 54 -5.693 0.166 0.946 1.00 0.00 C ATOM 769 C LEU A 54 -6.612 0.898 -0.027 1.00 0.00 C ATOM 770 O LEU A 54 -6.464 0.781 -1.243 1.00 0.00 O ATOM 771 CB LEU A 54 -4.331 0.860 0.999 1.00 0.00 C ATOM 772 CG LEU A 54 -3.623 0.848 2.354 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.525 1.430 3.432 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.195 -0.566 2.720 1.00 0.00 C ATOM 0 H LEU A 54 -4.652 -1.441 0.088 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.147 0.194 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.677 0.388 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.462 1.897 0.689 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.730 1.469 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.005 1.413 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.781 2.458 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.436 0.836 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.693 -0.555 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.073 -1.209 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.512 -0.947 1.961 1.00 0.00 H new ATOM 786 N ILE A 55 -7.559 1.654 0.518 1.00 0.00 N ATOM 787 CA ILE A 55 -8.500 2.407 -0.301 1.00 0.00 C ATOM 788 C ILE A 55 -8.815 3.761 0.327 1.00 0.00 C ATOM 789 O ILE A 55 -9.229 3.839 1.484 1.00 0.00 O ATOM 790 CB ILE A 55 -9.814 1.631 -0.507 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.521 0.190 -0.928 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.682 2.326 -1.546 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.725 -0.721 -0.847 1.00 0.00 C ATOM 0 H ILE A 55 -7.695 1.761 1.523 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.023 2.560 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.358 1.610 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.143 0.189 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.729 -0.211 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.607 1.766 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.915 3.336 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.146 2.375 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.442 -1.726 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.091 -0.750 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.511 -0.344 -1.502 1.00 0.00 H new ATOM 805 N PHE A 56 -8.618 4.825 -0.444 1.00 0.00 N ATOM 806 CA PHE A 56 -8.882 6.176 0.037 1.00 0.00 C ATOM 807 C PHE A 56 -9.598 7.002 -1.028 1.00 0.00 C ATOM 808 O PHE A 56 -9.132 7.111 -2.163 1.00 0.00 O ATOM 809 CB PHE A 56 -7.574 6.862 0.437 1.00 0.00 C ATOM 810 CG PHE A 56 -7.773 8.068 1.311 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.426 7.957 2.528 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.306 9.311 0.916 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.610 9.065 3.334 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.488 10.422 1.717 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.140 10.299 2.928 1.00 0.00 C ATOM 0 H PHE A 56 -8.277 4.778 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.529 6.104 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.942 6.144 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.039 7.161 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.795 6.995 2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.794 9.413 -0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.121 8.966 4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.121 11.386 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.282 11.166 3.556 1.00 0.00 H new ATOM 825 N LYS A 57 -10.733 7.583 -0.655 1.00 0.00 N ATOM 826 CA LYS A 57 -11.514 8.400 -1.575 1.00 0.00 C ATOM 827 C LYS A 57 -11.910 7.599 -2.812 1.00 0.00 C ATOM 828 O LYS A 57 -11.882 8.111 -3.930 1.00 0.00 O ATOM 829 CB LYS A 57 -10.718 9.639 -1.991 1.00 0.00 C ATOM 830 CG LYS A 57 -10.930 10.833 -1.076 1.00 0.00 C ATOM 831 CD LYS A 57 -10.093 10.722 0.188 1.00 0.00 C ATOM 832 CE LYS A 57 -10.526 11.737 1.234 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.007 13.100 0.933 1.00 0.00 N ATOM 0 H LYS A 57 -11.133 7.503 0.280 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.422 8.714 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.657 9.390 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.998 9.916 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.671 11.749 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.985 10.906 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.182 9.716 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.042 10.875 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.615 11.766 1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.171 11.422 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.324 13.763 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.967 13.079 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.367 13.412 0.008 1.00 0.00 H new ATOM 847 N GLY A 58 -12.281 6.339 -2.602 1.00 0.00 N ATOM 848 CA GLY A 58 -12.679 5.489 -3.708 1.00 0.00 C ATOM 849 C GLY A 58 -11.521 5.154 -4.627 1.00 0.00 C ATOM 850 O GLY A 58 -11.700 5.003 -5.836 1.00 0.00 O ATOM 0 H GLY A 58 -12.313 5.893 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.107 4.566 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.462 5.986 -4.281 1.00 0.00 H new ATOM 854 N LYS A 59 -10.327 5.037 -4.054 1.00 0.00 N ATOM 855 CA LYS A 59 -9.134 4.718 -4.829 1.00 0.00 C ATOM 856 C LYS A 59 -8.277 3.684 -4.106 1.00 0.00 C ATOM 857 O LYS A 59 -7.792 3.929 -3.001 1.00 0.00 O ATOM 858 CB LYS A 59 -8.315 5.985 -5.088 1.00 0.00 C ATOM 859 CG LYS A 59 -8.908 6.884 -6.158 1.00 0.00 C ATOM 860 CD LYS A 59 -7.844 7.752 -6.810 1.00 0.00 C ATOM 861 CE LYS A 59 -8.355 8.393 -8.091 1.00 0.00 C ATOM 862 NZ LYS A 59 -9.502 9.308 -7.833 1.00 0.00 N ATOM 0 H LYS A 59 -10.160 5.159 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.452 4.298 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.229 6.548 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.305 5.701 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.397 6.274 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.676 7.519 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.530 8.529 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.964 7.147 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.547 8.949 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.661 7.615 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.800 9.751 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.295 8.767 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.213 10.046 -7.160 1.00 0.00 H new ATOM 876 N SER A 60 -8.092 2.529 -4.737 1.00 0.00 N ATOM 877 CA SER A 60 -7.294 1.458 -4.153 1.00 0.00 C ATOM 878 C SER A 60 -5.806 1.782 -4.234 1.00 0.00 C ATOM 879 O SER A 60 -5.211 1.758 -5.312 1.00 0.00 O ATOM 880 CB SER A 60 -7.579 0.134 -4.866 1.00 0.00 C ATOM 881 OG SER A 60 -8.930 0.063 -5.289 1.00 0.00 O ATOM 0 H SER A 60 -8.484 2.311 -5.653 1.00 0.00 H new ATOM 0 HA SER A 60 -7.570 1.364 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.919 0.032 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.360 -0.698 -4.196 1.00 0.00 H new ATOM 0 HG SER A 60 -9.086 -0.791 -5.743 1.00 0.00 H new ATOM 887 N LEU A 61 -5.210 2.086 -3.086 1.00 0.00 N ATOM 888 CA LEU A 61 -3.790 2.415 -3.024 1.00 0.00 C ATOM 889 C LEU A 61 -2.933 1.168 -3.215 1.00 0.00 C ATOM 890 O LEU A 61 -2.958 0.253 -2.392 1.00 0.00 O ATOM 891 CB LEU A 61 -3.458 3.077 -1.686 1.00 0.00 C ATOM 892 CG LEU A 61 -4.491 4.072 -1.154 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.050 4.631 0.190 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.713 5.196 -2.155 1.00 0.00 C ATOM 0 H LEU A 61 -5.688 2.111 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.568 3.112 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.320 2.294 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.503 3.594 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.436 3.546 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.797 5.337 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.943 3.816 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.094 5.141 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.451 5.894 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.773 5.720 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.074 4.780 -3.095 1.00 0.00 H new ATOM 906 N LYS A 62 -2.173 1.140 -4.305 1.00 0.00 N ATOM 907 CA LYS A 62 -1.304 0.008 -4.603 1.00 0.00 C ATOM 908 C LYS A 62 0.137 0.465 -4.801 1.00 0.00 C ATOM 909 O LYS A 62 1.060 -0.349 -4.810 1.00 0.00 O ATOM 910 CB LYS A 62 -1.795 -0.722 -5.855 1.00 0.00 C ATOM 911 CG LYS A 62 -2.106 0.205 -7.017 1.00 0.00 C ATOM 912 CD LYS A 62 -3.117 -0.413 -7.969 1.00 0.00 C ATOM 913 CE LYS A 62 -3.936 0.652 -8.681 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.404 0.192 -10.017 1.00 0.00 N ATOM 0 H LYS A 62 -2.142 1.889 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.336 -0.676 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.037 -1.440 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.690 -1.291 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.494 1.150 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.187 0.433 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.597 -1.026 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.782 -1.075 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.796 0.919 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.335 1.554 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.958 0.947 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.583 -0.039 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.998 -0.654 -9.904 1.00 0.00 H new ATOM 928 N GLU A 63 0.322 1.772 -4.956 1.00 0.00 N ATOM 929 CA GLU A 63 1.652 2.337 -5.153 1.00 0.00 C ATOM 930 C GLU A 63 2.336 2.598 -3.814 1.00 0.00 C ATOM 931 O GLU A 63 1.972 3.524 -3.090 1.00 0.00 O ATOM 932 CB GLU A 63 1.566 3.636 -5.956 1.00 0.00 C ATOM 933 CG GLU A 63 1.113 3.435 -7.392 1.00 0.00 C ATOM 934 CD GLU A 63 0.380 4.641 -7.947 1.00 0.00 C ATOM 935 OE1 GLU A 63 -0.842 4.753 -7.712 1.00 0.00 O ATOM 936 OE2 GLU A 63 1.028 5.473 -8.616 1.00 0.00 O ATOM 0 H GLU A 63 -0.432 2.459 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 63 2.247 1.613 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.875 4.316 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.543 4.118 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.981 3.223 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.462 2.563 -7.445 1.00 0.00 H new ATOM 943 N MET A 64 3.329 1.775 -3.493 1.00 0.00 N ATOM 944 CA MET A 64 4.064 1.917 -2.241 1.00 0.00 C ATOM 945 C MET A 64 4.997 3.122 -2.293 1.00 0.00 C ATOM 946 O MET A 64 5.074 3.899 -1.341 1.00 0.00 O ATOM 947 CB MET A 64 4.867 0.648 -1.950 1.00 0.00 C ATOM 948 CG MET A 64 4.022 -0.616 -1.933 1.00 0.00 C ATOM 949 SD MET A 64 3.042 -0.776 -0.428 1.00 0.00 S ATOM 950 CE MET A 64 1.382 -0.682 -1.094 1.00 0.00 C ATOM 0 H MET A 64 3.643 1.004 -4.082 1.00 0.00 H new ATOM 0 HA MET A 64 3.342 2.073 -1.440 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.649 0.542 -2.702 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.364 0.756 -0.986 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.357 -0.615 -2.797 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.673 -1.485 -2.032 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.684 -0.428 -0.296 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.343 0.085 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.107 -1.645 -1.524 1.00 0.00 H new ATOM 960 N GLU A 65 5.703 3.271 -3.409 1.00 0.00 N ATOM 961 CA GLU A 65 6.631 4.382 -3.582 1.00 0.00 C ATOM 962 C GLU A 65 5.887 5.715 -3.605 1.00 0.00 C ATOM 963 O GLU A 65 6.495 6.781 -3.507 1.00 0.00 O ATOM 964 CB GLU A 65 7.432 4.211 -4.875 1.00 0.00 C ATOM 965 CG GLU A 65 6.570 4.197 -6.127 1.00 0.00 C ATOM 966 CD GLU A 65 7.313 3.673 -7.341 1.00 0.00 C ATOM 967 OE1 GLU A 65 7.747 2.502 -7.310 1.00 0.00 O ATOM 968 OE2 GLU A 65 7.461 4.433 -8.320 1.00 0.00 O ATOM 0 H GLU A 65 5.650 2.637 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 65 7.317 4.383 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.158 5.020 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.997 3.280 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.689 3.580 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.215 5.207 -6.331 1.00 0.00 H new ATOM 975 N THR A 66 4.566 5.646 -3.736 1.00 0.00 N ATOM 976 CA THR A 66 3.738 6.845 -3.774 1.00 0.00 C ATOM 977 C THR A 66 3.576 7.445 -2.382 1.00 0.00 C ATOM 978 O THR A 66 3.261 6.752 -1.414 1.00 0.00 O ATOM 979 CB THR A 66 2.344 6.547 -4.358 1.00 0.00 C ATOM 980 OG1 THR A 66 2.428 6.411 -5.781 1.00 0.00 O ATOM 981 CG2 THR A 66 1.362 7.654 -4.006 1.00 0.00 C ATOM 0 H THR A 66 4.046 4.772 -3.818 1.00 0.00 H new ATOM 0 HA THR A 66 4.248 7.561 -4.418 1.00 0.00 H new ATOM 0 HB THR A 66 1.985 5.613 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.525 6.380 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.385 7.422 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.278 7.735 -2.922 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.718 8.600 -4.414 1.00 0.00 H new ATOM 989 N PRO A 67 3.795 8.764 -2.276 1.00 0.00 N ATOM 990 CA PRO A 67 3.677 9.486 -1.006 1.00 0.00 C ATOM 991 C PRO A 67 2.232 9.588 -0.529 1.00 0.00 C ATOM 992 O PRO A 67 1.363 10.078 -1.250 1.00 0.00 O ATOM 993 CB PRO A 67 4.231 10.875 -1.335 1.00 0.00 C ATOM 994 CG PRO A 67 4.022 11.028 -2.802 1.00 0.00 C ATOM 995 CD PRO A 67 4.174 9.651 -3.388 1.00 0.00 C ATOM 0 HA PRO A 67 4.207 8.981 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.708 11.652 -0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.287 10.952 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.034 11.436 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.750 11.717 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.527 9.509 -4.254 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.196 9.466 -3.720 1.00 0.00 H new ATOM 1003 N LEU A 68 1.983 9.124 0.691 1.00 0.00 N ATOM 1004 CA LEU A 68 0.642 9.164 1.265 1.00 0.00 C ATOM 1005 C LEU A 68 0.045 10.564 1.157 1.00 0.00 C ATOM 1006 O LEU A 68 -1.174 10.731 1.157 1.00 0.00 O ATOM 1007 CB LEU A 68 0.680 8.724 2.730 1.00 0.00 C ATOM 1008 CG LEU A 68 1.194 7.308 2.992 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.765 7.200 4.397 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.082 6.291 2.786 1.00 0.00 C ATOM 0 H LEU A 68 2.691 8.716 1.301 1.00 0.00 H new ATOM 0 HA LEU A 68 0.011 8.476 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.306 9.424 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.327 8.805 3.139 1.00 0.00 H new ATOM 0 HG LEU A 68 1.991 7.093 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.126 6.186 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.591 7.902 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.988 7.434 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.466 5.289 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.737 6.503 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.281 6.351 1.760 1.00 0.00 H new ATOM 1022 N SER A 69 0.913 11.566 1.064 1.00 0.00 N ATOM 1023 CA SER A 69 0.472 12.952 0.958 1.00 0.00 C ATOM 1024 C SER A 69 -0.163 13.216 -0.404 1.00 0.00 C ATOM 1025 O SER A 69 -1.126 13.975 -0.515 1.00 0.00 O ATOM 1026 CB SER A 69 1.650 13.903 1.177 1.00 0.00 C ATOM 1027 OG SER A 69 1.246 15.254 1.043 1.00 0.00 O ATOM 0 H SER A 69 1.926 11.444 1.060 1.00 0.00 H new ATOM 0 HA SER A 69 -0.277 13.130 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.071 13.743 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.438 13.683 0.457 1.00 0.00 H new ATOM 0 HG SER A 69 2.016 15.842 1.189 1.00 0.00 H new ATOM 1033 N ALA A 70 0.383 12.584 -1.437 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.130 12.749 -2.792 1.00 0.00 C ATOM 1035 C ALA A 70 -1.563 12.238 -2.902 1.00 0.00 C ATOM 1036 O ALA A 70 -2.389 12.820 -3.606 1.00 0.00 O ATOM 1037 CB ALA A 70 0.767 12.029 -3.787 1.00 0.00 C ATOM 0 H ALA A 70 1.181 11.953 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.132 13.814 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.372 12.161 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.774 12.443 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.799 10.967 -3.546 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.851 11.145 -2.203 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.185 10.554 -2.223 1.00 0.00 C ATOM 1045 C LEU A 71 -4.158 11.379 -1.387 1.00 0.00 C ATOM 1046 O LEU A 71 -5.369 11.331 -1.599 1.00 0.00 O ATOM 1047 CB LEU A 71 -3.135 9.117 -1.700 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.165 8.176 -2.414 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.748 7.040 -1.493 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.794 7.628 -3.687 1.00 0.00 C ATOM 0 H LEU A 71 -1.179 10.651 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.538 10.546 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.870 9.145 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.137 8.692 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.274 8.742 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.057 6.380 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.258 7.449 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.630 6.475 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.090 6.960 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.701 7.078 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.042 8.453 -4.354 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.620 12.137 -0.437 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.455 12.963 0.415 1.00 0.00 C ATOM 1064 C GLY A 72 -4.497 12.464 1.845 1.00 0.00 C ATOM 1065 O GLY A 72 -5.056 13.123 2.723 1.00 0.00 O ATOM 0 H GLY A 72 -2.620 12.194 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.082 13.987 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.468 12.988 0.012 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.906 11.298 2.081 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.879 10.711 3.415 1.00 0.00 C ATOM 1071 C ILE A 73 -2.897 11.447 4.319 1.00 0.00 C ATOM 1072 O ILE A 73 -1.700 11.502 4.037 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.497 9.220 3.367 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.520 8.435 2.543 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.395 8.654 4.775 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.971 7.150 1.963 1.00 0.00 C ATOM 0 H ILE A 73 -3.439 10.741 1.366 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.886 10.806 3.822 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.523 9.125 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.379 8.202 3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.881 9.066 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.124 7.599 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.632 9.198 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.356 8.758 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.751 6.646 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.130 7.377 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.636 6.500 2.771 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.411 12.011 5.408 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.578 12.743 6.355 1.00 0.00 C ATOM 1090 C GLN A 74 -3.026 12.482 7.789 1.00 0.00 C ATOM 1091 O GLN A 74 -4.138 12.009 8.026 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.629 14.242 6.057 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.624 14.688 5.007 1.00 0.00 C ATOM 1094 CD GLN A 74 -0.276 15.044 5.603 1.00 0.00 C ATOM 1095 OE1 GLN A 74 0.347 14.231 6.287 1.00 0.00 O ATOM 1096 NE2 GLN A 74 0.183 16.263 5.346 1.00 0.00 N ATOM 0 H GLN A 74 -4.400 11.975 5.656 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.552 12.392 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.633 14.503 5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.447 14.794 6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.494 13.893 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.021 15.552 4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.366 16.905 4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.085 16.558 5.720 1.00 0.00 H new ATOM 1105 N ASP A 75 -2.154 12.792 8.742 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.460 12.592 10.153 1.00 0.00 C ATOM 1107 C ASP A 75 -3.834 13.160 10.497 1.00 0.00 C ATOM 1108 O ASP A 75 -4.037 14.373 10.482 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.390 13.248 11.027 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.706 13.143 12.506 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.875 13.373 12.881 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -0.785 12.830 13.289 1.00 0.00 O ATOM 0 H ASP A 75 -1.229 13.183 8.563 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.470 11.520 10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.426 12.778 10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.295 14.299 10.753 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.775 12.273 10.807 1.00 0.00 N ATOM 1118 CA GLY A 76 -6.117 12.704 11.149 1.00 0.00 C ATOM 1119 C GLY A 76 -7.139 12.304 10.104 1.00 0.00 C ATOM 1120 O GLY A 76 -8.182 12.944 9.969 1.00 0.00 O ATOM 0 H GLY A 76 -4.631 11.263 10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.399 12.275 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.128 13.788 11.267 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.840 11.243 9.362 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.740 10.759 8.321 1.00 0.00 C ATOM 1126 C CYS A 77 -8.080 9.288 8.537 1.00 0.00 C ATOM 1127 O CYS A 77 -7.384 8.580 9.266 1.00 0.00 O ATOM 1128 CB CYS A 77 -7.108 10.952 6.942 1.00 0.00 C ATOM 1129 SG CYS A 77 -7.091 12.668 6.371 1.00 0.00 S ATOM 0 H CYS A 77 -5.981 10.702 9.462 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.662 11.338 8.374 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -6.084 10.579 6.968 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.650 10.345 6.217 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.535 12.729 5.197 1.00 0.00 H new ATOM 1135 N ARG A 78 -9.155 8.835 7.901 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.589 7.449 8.026 1.00 0.00 C ATOM 1137 C ARG A 78 -9.525 6.736 6.679 1.00 0.00 C ATOM 1138 O ARG A 78 -10.248 7.083 5.745 1.00 0.00 O ATOM 1139 CB ARG A 78 -11.014 7.387 8.581 1.00 0.00 C ATOM 1140 CG ARG A 78 -11.075 7.317 10.098 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.402 7.838 10.627 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.304 8.274 12.017 1.00 0.00 N ATOM 1143 CZ ARG A 78 -11.720 9.406 12.393 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -11.186 10.213 11.486 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -11.671 9.734 13.678 1.00 0.00 N ATOM 0 H ARG A 78 -9.742 9.408 7.294 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.914 6.944 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.564 8.265 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.519 6.515 8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.933 6.286 10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.258 7.900 10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.737 8.671 10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.157 7.056 10.545 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.706 7.676 12.739 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.223 9.965 10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.738 11.082 11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.082 9.116 14.378 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.222 10.604 13.966 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.653 5.736 6.586 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.494 4.973 5.354 1.00 0.00 C ATOM 1161 C VAL A 79 -9.173 3.612 5.459 1.00 0.00 C ATOM 1162 O VAL A 79 -9.193 2.998 6.525 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.007 4.768 5.009 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.862 3.929 3.749 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.307 6.109 4.850 1.00 0.00 C ATOM 0 H VAL A 79 -8.046 5.436 7.349 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.967 5.551 4.560 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.532 4.232 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.805 3.795 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.326 2.955 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.351 4.435 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.257 5.945 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.782 6.674 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.380 6.670 5.782 1.00 0.00 H new ATOM 1175 N MET A 80 -9.727 3.146 4.344 1.00 0.00 N ATOM 1176 CA MET A 80 -10.406 1.856 4.311 1.00 0.00 C ATOM 1177 C MET A 80 -9.433 0.740 3.943 1.00 0.00 C ATOM 1178 O MET A 80 -8.600 0.897 3.050 1.00 0.00 O ATOM 1179 CB MET A 80 -11.563 1.890 3.310 1.00 0.00 C ATOM 1180 CG MET A 80 -12.030 0.511 2.874 1.00 0.00 C ATOM 1181 SD MET A 80 -13.777 0.478 2.429 1.00 0.00 S ATOM 1182 CE MET A 80 -14.140 -1.266 2.612 1.00 0.00 C ATOM 0 H MET A 80 -9.719 3.642 3.453 1.00 0.00 H new ATOM 0 HA MET A 80 -10.802 1.656 5.307 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.402 2.425 3.755 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.255 2.455 2.430 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.436 0.183 2.021 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.851 -0.201 3.680 1.00 0.00 H new ATOM 0 HE1 MET A 80 -14.481 -1.669 1.658 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.240 -1.794 2.928 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.920 -1.399 3.362 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.544 -0.387 4.638 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.674 -1.531 4.385 1.00 0.00 C ATOM 1194 C LEU A 81 -9.482 -2.821 4.294 1.00 0.00 C ATOM 1195 O LEU A 81 -10.299 -3.116 5.167 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.623 -1.651 5.489 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.627 -2.802 5.346 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.599 -2.488 4.270 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.941 -3.083 6.675 1.00 0.00 C ATOM 0 H LEU A 81 -10.228 -0.533 5.381 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.173 -1.370 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.064 -0.717 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.138 -1.760 6.443 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.175 -3.695 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.899 -3.319 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.105 -2.338 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.056 -1.582 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.236 -3.905 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.406 -2.192 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.689 -3.353 7.420 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.248 -3.587 3.234 1.00 0.00 N ATOM 1212 CA ILE A 82 -9.952 -4.847 3.031 1.00 0.00 C ATOM 1213 C ILE A 82 -8.990 -6.028 3.082 1.00 0.00 C ATOM 1214 O ILE A 82 -7.964 -6.036 2.403 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.699 -4.864 1.685 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.716 -3.723 1.626 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.387 -6.205 1.478 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.339 -3.538 0.260 1.00 0.00 C ATOM 0 H ILE A 82 -8.576 -3.357 2.502 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.677 -4.938 3.840 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.975 -4.721 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.505 -3.913 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.226 -2.795 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.911 -6.201 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.642 -7.000 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.102 -6.375 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.050 -2.712 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.559 -3.317 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.858 -4.452 -0.030 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.330 -7.028 3.890 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.487 -8.202 4.013 1.00 0.00 C ATOM 1232 C GLY A 83 -9.025 -9.200 5.019 1.00 0.00 C ATOM 1233 O GLY A 83 -10.164 -9.084 5.471 1.00 0.00 O ATOM 0 H GLY A 83 -10.175 -7.045 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.397 -8.684 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.484 -7.896 4.311 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.204 -10.184 5.371 1.00 0.00 N ATOM 1238 CA LYS A 84 -8.603 -11.207 6.331 1.00 0.00 C ATOM 1239 C LYS A 84 -7.575 -11.334 7.450 1.00 0.00 C ATOM 1240 O LYS A 84 -6.403 -11.620 7.202 1.00 0.00 O ATOM 1241 CB LYS A 84 -8.775 -12.555 5.627 1.00 0.00 C ATOM 1242 CG LYS A 84 -9.635 -13.540 6.402 1.00 0.00 C ATOM 1243 CD LYS A 84 -9.239 -14.977 6.108 1.00 0.00 C ATOM 1244 CE LYS A 84 -10.429 -15.917 6.221 1.00 0.00 C ATOM 1245 NZ LYS A 84 -10.612 -16.416 7.612 1.00 0.00 N ATOM 0 H LYS A 84 -7.258 -10.295 5.006 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.555 -10.908 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.221 -12.389 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.792 -12.996 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.539 -13.346 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.683 -13.390 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.817 -15.041 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.459 -15.290 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.333 -15.399 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.289 -16.762 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.433 -17.053 7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.760 -16.932 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.771 -15.611 8.251 1.00 0.00 H new