USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 THR OG1 : rot -27:sc= 1.61 USER MOD Set 1.2: A 27 LYS NZ :NH3+ 160:sc= 1.91 (180deg=1.15) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -171:sc= 0 (180deg=-0.0569) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 148:sc= 1.13 USER MOD Single : A 25 GLN : amide:sc= -0.0296 X(o=-0.03,f=-0.002) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0265 K(o=-0.027,f=-1.1) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0134 USER MOD Single : A 37 GLN : amide:sc= 0.909 K(o=0.91,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.44) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -167:sc= -0.386 (180deg=-0.865) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0808 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.289 USER MOD Single : A 67 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.35) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -2.141 -8.632 -8.823 1.00 0.00 N ATOM 84 CA TYR A 9 -1.704 -8.917 -7.467 1.00 0.00 C ATOM 85 C TYR A 9 -1.348 -10.387 -7.278 1.00 0.00 C ATOM 86 O TYR A 9 -0.566 -10.702 -6.386 1.00 0.00 O ATOM 87 CB TYR A 9 -2.818 -8.516 -6.497 1.00 0.00 C ATOM 88 CG TYR A 9 -4.236 -8.765 -6.975 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.796 -10.056 -6.980 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.987 -7.676 -7.451 1.00 0.00 C ATOM 91 CE1 TYR A 9 -6.100 -10.256 -7.467 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.285 -7.870 -7.932 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.851 -9.162 -7.950 1.00 0.00 C ATOM 94 OH TYR A 9 -8.127 -9.349 -8.375 1.00 0.00 O ATOM 0 HA TYR A 9 -0.800 -8.341 -7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.671 -9.056 -5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.712 -7.455 -6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.224 -10.894 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.559 -6.685 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.528 -11.248 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.857 -7.027 -8.291 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.501 -8.494 -8.674 1.00 0.00 H new ATOM 104 N GLU A 10 -1.897 -11.285 -8.100 1.00 0.00 N ATOM 105 CA GLU A 10 -1.701 -12.718 -7.976 1.00 0.00 C ATOM 106 C GLU A 10 -0.224 -13.089 -8.114 1.00 0.00 C ATOM 107 O GLU A 10 0.225 -14.002 -7.431 1.00 0.00 O ATOM 108 CB GLU A 10 -2.586 -13.468 -8.979 1.00 0.00 C ATOM 109 CG GLU A 10 -4.069 -13.183 -8.692 1.00 0.00 C ATOM 110 CD GLU A 10 -4.997 -14.232 -9.297 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.979 -15.384 -8.814 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.818 -13.894 -10.183 1.00 0.00 O ATOM 0 H GLU A 10 -2.499 -11.025 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.007 -13.026 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.339 -13.160 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.395 -14.539 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.225 -13.144 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.330 -12.201 -9.088 1.00 0.00 H new ATOM 119 N LEU A 11 0.562 -12.366 -8.921 1.00 0.00 N ATOM 120 CA LEU A 11 2.007 -12.592 -9.029 1.00 0.00 C ATOM 121 C LEU A 11 2.643 -12.402 -7.647 1.00 0.00 C ATOM 122 O LEU A 11 3.304 -13.298 -7.112 1.00 0.00 O ATOM 123 CB LEU A 11 2.597 -11.633 -10.087 1.00 0.00 C ATOM 124 CG LEU A 11 3.996 -11.965 -10.650 1.00 0.00 C ATOM 125 CD1 LEU A 11 5.158 -11.888 -9.658 1.00 0.00 C ATOM 126 CD2 LEU A 11 4.017 -13.337 -11.317 1.00 0.00 C ATOM 0 H LEU A 11 0.216 -11.612 -9.514 1.00 0.00 H new ATOM 0 HA LEU A 11 2.220 -13.609 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.900 -11.586 -10.924 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.638 -10.635 -9.650 1.00 0.00 H new ATOM 0 HG LEU A 11 4.163 -11.168 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.088 -12.141 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.227 -10.877 -9.257 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.987 -12.591 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.016 -13.539 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.748 -14.101 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.301 -13.353 -12.139 1.00 0.00 H new ATOM 138 N TYR A 12 2.377 -11.244 -7.044 1.00 0.00 N ATOM 139 CA TYR A 12 2.908 -10.794 -5.760 1.00 0.00 C ATOM 140 C TYR A 12 2.234 -11.522 -4.592 1.00 0.00 C ATOM 141 O TYR A 12 2.617 -11.340 -3.435 1.00 0.00 O ATOM 142 CB TYR A 12 2.726 -9.266 -5.636 1.00 0.00 C ATOM 143 CG TYR A 12 2.920 -8.477 -6.928 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.960 -8.820 -7.813 1.00 0.00 C ATOM 145 CD2 TYR A 12 2.014 -7.461 -7.288 1.00 0.00 C ATOM 146 CE1 TYR A 12 4.034 -8.249 -9.093 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.118 -6.835 -8.543 1.00 0.00 C ATOM 148 CZ TYR A 12 3.102 -7.255 -9.463 1.00 0.00 C ATOM 149 OH TYR A 12 3.179 -6.676 -10.691 1.00 0.00 O ATOM 0 H TYR A 12 1.750 -10.557 -7.463 1.00 0.00 H new ATOM 0 HA TYR A 12 3.971 -11.032 -5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.725 -9.066 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.430 -8.892 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.711 -9.532 -7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.238 -7.162 -6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.797 -8.567 -9.788 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.444 -6.032 -8.803 1.00 0.00 H new ATOM 0 HH TYR A 12 2.463 -6.014 -10.786 1.00 0.00 H new ATOM 159 N MET A 13 1.226 -12.358 -4.855 1.00 0.00 N ATOM 160 CA MET A 13 0.560 -13.147 -3.841 1.00 0.00 C ATOM 161 C MET A 13 1.445 -14.298 -3.356 1.00 0.00 C ATOM 162 O MET A 13 1.128 -14.899 -2.325 1.00 0.00 O ATOM 163 CB MET A 13 -0.809 -13.603 -4.355 1.00 0.00 C ATOM 164 CG MET A 13 -1.789 -13.751 -3.190 1.00 0.00 C ATOM 165 SD MET A 13 -3.543 -13.603 -3.620 1.00 0.00 S ATOM 166 CE MET A 13 -3.644 -11.810 -3.902 1.00 0.00 C ATOM 0 H MET A 13 0.852 -12.500 -5.793 1.00 0.00 H new ATOM 0 HA MET A 13 0.383 -12.530 -2.960 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.194 -12.880 -5.074 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.710 -14.553 -4.880 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.628 -14.723 -2.724 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.552 -12.996 -2.441 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.688 -11.519 -4.020 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.214 -11.283 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.091 -11.552 -4.805 1.00 0.00 H new ATOM 176 N TYR A 14 2.567 -14.563 -4.034 1.00 0.00 N ATOM 177 CA TYR A 14 3.558 -15.556 -3.635 1.00 0.00 C ATOM 178 C TYR A 14 4.921 -14.894 -3.518 1.00 0.00 C ATOM 179 O TYR A 14 5.483 -14.859 -2.420 1.00 0.00 O ATOM 180 CB TYR A 14 3.579 -16.749 -4.602 1.00 0.00 C ATOM 181 CG TYR A 14 2.219 -17.084 -5.161 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.221 -17.560 -4.299 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.920 -16.781 -6.500 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.089 -17.720 -4.764 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.613 -16.955 -6.977 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.403 -17.397 -6.103 1.00 0.00 C ATOM 187 OH TYR A 14 -1.676 -17.512 -6.561 1.00 0.00 O ATOM 0 H TYR A 14 2.813 -14.078 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 14 3.285 -15.957 -2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.259 -16.529 -5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.977 -17.622 -4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.464 -17.803 -3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.694 -16.416 -7.159 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.858 -18.089 -4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.384 -16.751 -8.013 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.710 -17.247 -7.504 1.00 0.00 H new ATOM 197 N ARG A 15 5.409 -14.325 -4.626 1.00 0.00 N ATOM 198 CA ARG A 15 6.690 -13.633 -4.714 1.00 0.00 C ATOM 199 C ARG A 15 6.801 -12.549 -3.647 1.00 0.00 C ATOM 200 O ARG A 15 5.797 -11.949 -3.253 1.00 0.00 O ATOM 201 CB ARG A 15 6.852 -13.050 -6.134 1.00 0.00 C ATOM 202 CG ARG A 15 7.908 -13.778 -6.979 1.00 0.00 C ATOM 203 CD ARG A 15 9.338 -13.409 -6.567 1.00 0.00 C ATOM 204 NE ARG A 15 10.334 -14.117 -7.384 1.00 0.00 N ATOM 205 CZ ARG A 15 11.632 -14.268 -7.089 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.172 -13.687 -6.022 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.398 -15.016 -7.874 1.00 0.00 N ATOM 0 H ARG A 15 4.903 -14.336 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 15 7.498 -14.341 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.892 -13.096 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.123 -11.997 -6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.770 -14.855 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.761 -13.533 -8.031 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.481 -12.333 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.489 -13.653 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 15 10.006 -14.532 -8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.595 -13.112 -5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.163 -13.816 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.997 -15.470 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.387 -15.136 -7.657 1.00 0.00 H new ATOM 221 N GLU A 16 8.026 -12.320 -3.188 1.00 0.00 N ATOM 222 CA GLU A 16 8.377 -11.230 -2.297 1.00 0.00 C ATOM 223 C GLU A 16 8.533 -9.943 -3.105 1.00 0.00 C ATOM 224 O GLU A 16 8.311 -9.901 -4.318 1.00 0.00 O ATOM 225 CB GLU A 16 9.644 -11.623 -1.505 1.00 0.00 C ATOM 226 CG GLU A 16 9.333 -12.655 -0.406 1.00 0.00 C ATOM 227 CD GLU A 16 10.557 -13.427 0.094 1.00 0.00 C ATOM 228 OE1 GLU A 16 10.908 -14.459 -0.522 1.00 0.00 O ATOM 229 OE2 GLU A 16 11.105 -13.052 1.161 1.00 0.00 O ATOM 0 H GLU A 16 8.823 -12.907 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 16 7.590 -11.041 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.388 -12.033 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.082 -10.732 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.871 -12.143 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.600 -13.366 -0.788 1.00 0.00 H new ATOM 236 N VAL A 17 8.886 -8.865 -2.414 1.00 0.00 N ATOM 237 CA VAL A 17 9.346 -7.635 -3.021 1.00 0.00 C ATOM 238 C VAL A 17 10.302 -6.979 -2.022 1.00 0.00 C ATOM 239 O VAL A 17 10.210 -7.205 -0.808 1.00 0.00 O ATOM 240 CB VAL A 17 8.141 -6.756 -3.441 1.00 0.00 C ATOM 241 CG1 VAL A 17 7.130 -6.576 -2.304 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.539 -5.380 -3.989 1.00 0.00 C ATOM 0 H VAL A 17 8.857 -8.827 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 17 9.892 -7.804 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 17 7.673 -7.311 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.304 -5.953 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.748 -7.550 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.618 -6.097 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.642 -4.824 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.090 -4.830 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.168 -5.507 -4.870 1.00 0.00 H new ATOM 252 N ASP A 18 11.235 -6.174 -2.520 1.00 0.00 N ATOM 253 CA ASP A 18 12.107 -5.341 -1.708 1.00 0.00 C ATOM 254 C ASP A 18 11.313 -4.105 -1.328 1.00 0.00 C ATOM 255 O ASP A 18 11.224 -3.149 -2.099 1.00 0.00 O ATOM 256 CB ASP A 18 13.391 -4.995 -2.468 1.00 0.00 C ATOM 257 CG ASP A 18 14.354 -6.168 -2.374 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.967 -6.344 -1.298 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.444 -6.951 -3.347 1.00 0.00 O ATOM 0 H ASP A 18 11.407 -6.083 -3.521 1.00 0.00 H new ATOM 0 HA ASP A 18 12.426 -5.865 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.164 -4.777 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.847 -4.099 -2.048 1.00 0.00 H new ATOM 264 N THR A 19 10.666 -4.134 -0.164 1.00 0.00 N ATOM 265 CA THR A 19 9.728 -3.095 0.220 1.00 0.00 C ATOM 266 C THR A 19 10.402 -1.718 0.319 1.00 0.00 C ATOM 267 O THR A 19 9.748 -0.725 -0.011 1.00 0.00 O ATOM 268 CB THR A 19 9.003 -3.495 1.515 1.00 0.00 C ATOM 269 OG1 THR A 19 9.892 -4.090 2.432 1.00 0.00 O ATOM 270 CG2 THR A 19 7.892 -4.513 1.240 1.00 0.00 C ATOM 0 H THR A 19 10.779 -4.873 0.530 1.00 0.00 H new ATOM 0 HA THR A 19 8.978 -2.998 -0.565 1.00 0.00 H new ATOM 0 HB THR A 19 8.584 -2.577 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.613 -3.874 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.399 -4.775 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.163 -4.080 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.322 -5.409 0.793 1.00 0.00 H new ATOM 278 N LEU A 20 11.684 -1.617 0.699 1.00 0.00 N ATOM 279 CA LEU A 20 12.405 -0.357 0.613 1.00 0.00 C ATOM 280 C LEU A 20 12.299 0.227 -0.791 1.00 0.00 C ATOM 281 O LEU A 20 11.796 1.340 -0.948 1.00 0.00 O ATOM 282 CB LEU A 20 13.877 -0.540 1.015 1.00 0.00 C ATOM 283 CG LEU A 20 14.271 0.214 2.286 1.00 0.00 C ATOM 284 CD1 LEU A 20 14.064 1.730 2.154 1.00 0.00 C ATOM 285 CD2 LEU A 20 13.580 -0.317 3.543 1.00 0.00 C ATOM 0 H LEU A 20 12.233 -2.394 1.066 1.00 0.00 H new ATOM 0 HA LEU A 20 11.948 0.344 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.075 -1.602 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.512 -0.206 0.194 1.00 0.00 H new ATOM 0 HG LEU A 20 15.338 0.028 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.358 2.220 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.673 2.110 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.013 1.937 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.904 0.262 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.500 -0.227 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.844 -1.365 3.688 1.00 0.00 H new ATOM 297 N GLU A 21 12.752 -0.531 -1.787 1.00 0.00 N ATOM 298 CA GLU A 21 12.838 -0.111 -3.177 1.00 0.00 C ATOM 299 C GLU A 21 11.451 0.104 -3.787 1.00 0.00 C ATOM 300 O GLU A 21 11.267 1.035 -4.570 1.00 0.00 O ATOM 301 CB GLU A 21 13.676 -1.129 -3.951 1.00 0.00 C ATOM 302 CG GLU A 21 13.875 -0.690 -5.407 1.00 0.00 C ATOM 303 CD GLU A 21 15.142 -1.273 -6.030 1.00 0.00 C ATOM 304 OE1 GLU A 21 15.514 -2.432 -5.722 1.00 0.00 O ATOM 305 OE2 GLU A 21 15.774 -0.557 -6.839 1.00 0.00 O ATOM 0 H GLU A 21 13.079 -1.486 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 21 13.334 0.857 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.646 -1.248 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.186 -2.102 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.011 -0.997 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.921 0.398 -5.451 1.00 0.00 H new ATOM 312 N LEU A 22 10.450 -0.674 -3.363 1.00 0.00 N ATOM 313 CA LEU A 22 9.053 -0.425 -3.700 1.00 0.00 C ATOM 314 C LEU A 22 8.661 0.982 -3.255 1.00 0.00 C ATOM 315 O LEU A 22 8.268 1.785 -4.096 1.00 0.00 O ATOM 316 CB LEU A 22 8.141 -1.509 -3.107 1.00 0.00 C ATOM 317 CG LEU A 22 6.637 -1.163 -3.137 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.121 -0.908 -4.548 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.810 -2.306 -2.545 1.00 0.00 C ATOM 0 H LEU A 22 10.591 -1.495 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 22 8.925 -0.478 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.299 -2.438 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.439 -1.692 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 22 6.529 -0.252 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.058 -0.669 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.665 -0.072 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.271 -1.800 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.753 -2.043 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.975 -3.213 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.112 -2.477 -1.512 1.00 0.00 H new ATOM 331 N THR A 23 8.783 1.317 -1.962 1.00 0.00 N ATOM 332 CA THR A 23 8.417 2.669 -1.529 1.00 0.00 C ATOM 333 C THR A 23 9.256 3.693 -2.301 1.00 0.00 C ATOM 334 O THR A 23 8.765 4.776 -2.593 1.00 0.00 O ATOM 335 CB THR A 23 8.561 2.898 -0.017 1.00 0.00 C ATOM 336 OG1 THR A 23 9.900 2.880 0.450 1.00 0.00 O ATOM 337 CG2 THR A 23 7.733 1.902 0.769 1.00 0.00 C ATOM 0 H THR A 23 9.119 0.697 -1.225 1.00 0.00 H new ATOM 0 HA THR A 23 7.357 2.794 -1.749 1.00 0.00 H new ATOM 0 HB THR A 23 8.186 3.908 0.151 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.445 2.318 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.855 2.089 1.836 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.682 2.010 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.065 0.890 0.538 1.00 0.00 H new ATOM 345 N ARG A 24 10.521 3.377 -2.602 1.00 0.00 N ATOM 346 CA ARG A 24 11.436 4.263 -3.322 1.00 0.00 C ATOM 347 C ARG A 24 10.867 4.676 -4.668 1.00 0.00 C ATOM 348 O ARG A 24 10.667 5.875 -4.864 1.00 0.00 O ATOM 349 CB ARG A 24 12.839 3.638 -3.469 1.00 0.00 C ATOM 350 CG ARG A 24 13.919 4.691 -3.192 1.00 0.00 C ATOM 351 CD ARG A 24 13.971 4.971 -1.682 1.00 0.00 C ATOM 352 NE ARG A 24 14.229 6.385 -1.377 1.00 0.00 N ATOM 353 CZ ARG A 24 15.279 6.865 -0.705 1.00 0.00 C ATOM 354 NH1 ARG A 24 16.381 6.154 -0.509 1.00 0.00 N ATOM 355 NH2 ARG A 24 15.211 8.080 -0.182 1.00 0.00 N ATOM 0 H ARG A 24 10.942 2.484 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 24 11.547 5.167 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.948 2.804 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.962 3.236 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.888 4.337 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.699 5.609 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.026 4.672 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.750 4.358 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 24 13.543 7.063 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.448 5.205 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.162 6.556 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.364 8.637 -0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.006 8.459 0.334 1.00 0.00 H new ATOM 369 N GLN A 25 10.582 3.711 -5.541 1.00 0.00 N ATOM 370 CA GLN A 25 9.983 3.935 -6.849 1.00 0.00 C ATOM 371 C GLN A 25 8.666 4.685 -6.717 1.00 0.00 C ATOM 372 O GLN A 25 8.419 5.624 -7.473 1.00 0.00 O ATOM 373 CB GLN A 25 9.794 2.580 -7.547 1.00 0.00 C ATOM 374 CG GLN A 25 11.069 2.136 -8.267 1.00 0.00 C ATOM 375 CD GLN A 25 11.172 2.791 -9.644 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.568 2.353 -10.624 1.00 0.00 O ATOM 377 NE2 GLN A 25 11.874 3.904 -9.736 1.00 0.00 N ATOM 0 H GLN A 25 10.768 2.726 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 25 10.643 4.556 -7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.510 1.827 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.976 2.650 -8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.941 2.400 -7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.072 1.051 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.372 4.262 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.919 4.407 -10.622 1.00 0.00 H new ATOM 386 N VAL A 26 7.839 4.292 -5.747 1.00 0.00 N ATOM 387 CA VAL A 26 6.566 4.937 -5.478 1.00 0.00 C ATOM 388 C VAL A 26 6.807 6.427 -5.202 1.00 0.00 C ATOM 389 O VAL A 26 6.274 7.277 -5.914 1.00 0.00 O ATOM 390 CB VAL A 26 5.872 4.172 -4.336 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.675 4.933 -3.759 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.467 2.771 -4.815 1.00 0.00 C ATOM 0 H VAL A 26 8.041 3.510 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 26 5.890 4.902 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 26 6.589 4.074 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.224 4.348 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.010 5.892 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.938 5.102 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.977 2.236 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.781 2.859 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.356 2.222 -5.127 1.00 0.00 H new ATOM 402 N LYS A 27 7.622 6.758 -4.195 1.00 0.00 N ATOM 403 CA LYS A 27 7.989 8.116 -3.826 1.00 0.00 C ATOM 404 C LYS A 27 8.506 8.884 -5.037 1.00 0.00 C ATOM 405 O LYS A 27 8.005 9.974 -5.300 1.00 0.00 O ATOM 406 CB LYS A 27 9.021 8.049 -2.690 1.00 0.00 C ATOM 407 CG LYS A 27 8.358 7.755 -1.336 1.00 0.00 C ATOM 408 CD LYS A 27 9.387 7.519 -0.219 1.00 0.00 C ATOM 409 CE LYS A 27 9.969 6.106 -0.304 1.00 0.00 C ATOM 410 NZ LYS A 27 10.634 5.625 0.926 1.00 0.00 N ATOM 0 H LYS A 27 8.057 6.056 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 27 7.115 8.662 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.756 7.275 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.561 8.994 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.713 8.590 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.720 6.876 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.189 8.253 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.915 7.665 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.166 5.414 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.688 6.075 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.691 4.587 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.593 6.024 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.086 5.926 1.757 1.00 0.00 H new ATOM 424 N GLU A 28 9.461 8.333 -5.789 1.00 0.00 N ATOM 425 CA GLU A 28 10.043 8.951 -6.950 1.00 0.00 C ATOM 426 C GLU A 28 8.980 9.359 -7.966 1.00 0.00 C ATOM 427 O GLU A 28 8.914 10.528 -8.341 1.00 0.00 O ATOM 428 CB GLU A 28 11.061 7.974 -7.571 1.00 0.00 C ATOM 429 CG GLU A 28 12.338 8.731 -7.899 1.00 0.00 C ATOM 430 CD GLU A 28 13.039 8.145 -9.124 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.644 7.056 -8.987 1.00 0.00 O ATOM 432 OE2 GLU A 28 12.996 8.783 -10.203 1.00 0.00 O ATOM 0 H GLU A 28 9.854 7.413 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 28 10.551 9.867 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.273 7.161 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.648 7.524 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.104 9.780 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.012 8.698 -7.043 1.00 0.00 H new ATOM 439 N LYS A 29 8.149 8.409 -8.407 1.00 0.00 N ATOM 440 CA LYS A 29 7.137 8.629 -9.436 1.00 0.00 C ATOM 441 C LYS A 29 6.055 9.588 -8.944 1.00 0.00 C ATOM 442 O LYS A 29 5.581 10.436 -9.696 1.00 0.00 O ATOM 443 CB LYS A 29 6.564 7.267 -9.847 1.00 0.00 C ATOM 444 CG LYS A 29 5.634 7.355 -11.063 1.00 0.00 C ATOM 445 CD LYS A 29 5.270 5.942 -11.527 1.00 0.00 C ATOM 446 CE LYS A 29 4.442 6.007 -12.810 1.00 0.00 C ATOM 447 NZ LYS A 29 4.763 4.899 -13.728 1.00 0.00 N ATOM 0 H LYS A 29 8.164 7.453 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 29 7.585 9.102 -10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.385 6.586 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.016 6.840 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.731 7.909 -10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.123 7.900 -11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.177 5.363 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.707 5.429 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.382 5.975 -12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.623 6.958 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.270 5.044 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.789 4.872 -13.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.456 3.999 -13.307 1.00 0.00 H new ATOM 461 N LEU A 30 5.670 9.489 -7.671 1.00 0.00 N ATOM 462 CA LEU A 30 4.714 10.408 -7.074 1.00 0.00 C ATOM 463 C LEU A 30 5.268 11.831 -7.121 1.00 0.00 C ATOM 464 O LEU A 30 4.570 12.730 -7.587 1.00 0.00 O ATOM 465 CB LEU A 30 4.395 9.995 -5.630 1.00 0.00 C ATOM 466 CG LEU A 30 3.515 8.731 -5.513 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.529 8.215 -4.069 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.065 8.948 -5.957 1.00 0.00 C ATOM 0 H LEU A 30 6.013 8.772 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 30 3.786 10.373 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.331 9.823 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.891 10.822 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 30 3.948 7.996 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.906 7.324 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.551 7.969 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.140 8.986 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.508 8.018 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.607 9.721 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.047 9.260 -7.001 1.00 0.00 H new ATOM 480 N ALA A 31 6.503 12.037 -6.657 1.00 0.00 N ATOM 481 CA ALA A 31 7.157 13.340 -6.642 1.00 0.00 C ATOM 482 C ALA A 31 7.453 13.849 -8.059 1.00 0.00 C ATOM 483 O ALA A 31 7.417 15.056 -8.279 1.00 0.00 O ATOM 484 CB ALA A 31 8.442 13.256 -5.811 1.00 0.00 C ATOM 0 H ALA A 31 7.082 11.289 -6.276 1.00 0.00 H new ATOM 0 HA ALA A 31 6.477 14.059 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.932 14.230 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.197 12.961 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.112 12.518 -6.251 1.00 0.00 H new ATOM 490 N LYS A 32 7.712 12.955 -9.022 1.00 0.00 N ATOM 491 CA LYS A 32 7.869 13.273 -10.442 1.00 0.00 C ATOM 492 C LYS A 32 6.618 13.979 -10.938 1.00 0.00 C ATOM 493 O LYS A 32 6.702 15.058 -11.523 1.00 0.00 O ATOM 494 CB LYS A 32 8.128 11.971 -11.219 1.00 0.00 C ATOM 495 CG LYS A 32 8.545 12.170 -12.678 1.00 0.00 C ATOM 496 CD LYS A 32 8.733 10.784 -13.315 1.00 0.00 C ATOM 497 CE LYS A 32 9.528 10.872 -14.619 1.00 0.00 C ATOM 498 NZ LYS A 32 10.150 9.583 -14.983 1.00 0.00 N ATOM 0 H LYS A 32 7.821 11.960 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 32 8.717 13.940 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.907 11.407 -10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.224 11.362 -11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.786 12.737 -13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.470 12.743 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.250 10.128 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.758 10.337 -13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.867 11.194 -15.424 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.303 11.632 -14.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.678 9.691 -15.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.801 9.286 -14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.410 8.863 -15.105 1.00 0.00 H new ATOM 512 N ASN A 33 5.457 13.374 -10.688 1.00 0.00 N ATOM 513 CA ASN A 33 4.192 13.932 -11.144 1.00 0.00 C ATOM 514 C ASN A 33 3.811 15.133 -10.268 1.00 0.00 C ATOM 515 O ASN A 33 3.229 16.093 -10.768 1.00 0.00 O ATOM 516 CB ASN A 33 3.099 12.854 -11.085 1.00 0.00 C ATOM 517 CG ASN A 33 3.356 11.621 -11.954 1.00 0.00 C ATOM 518 OD1 ASN A 33 4.402 11.455 -12.580 1.00 0.00 O ATOM 519 ND2 ASN A 33 2.412 10.698 -12.000 1.00 0.00 N ATOM 0 H ASN A 33 5.370 12.498 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 33 4.294 14.270 -12.175 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.983 12.532 -10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.152 13.302 -11.387 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.552 9.852 -12.553 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.543 10.831 -11.483 1.00 0.00 H new ATOM 526 N GLY A 34 4.265 15.163 -9.011 1.00 0.00 N ATOM 527 CA GLY A 34 4.022 16.228 -8.043 1.00 0.00 C ATOM 528 C GLY A 34 2.890 15.901 -7.063 1.00 0.00 C ATOM 529 O GLY A 34 2.436 16.795 -6.345 1.00 0.00 O ATOM 0 H GLY A 34 4.837 14.411 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.937 16.417 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.779 17.147 -8.576 1.00 0.00 H new ATOM 533 N ILE A 35 2.423 14.649 -7.024 1.00 0.00 N ATOM 534 CA ILE A 35 1.274 14.183 -6.251 1.00 0.00 C ATOM 535 C ILE A 35 1.622 14.201 -4.757 1.00 0.00 C ATOM 536 O ILE A 35 2.635 13.615 -4.364 1.00 0.00 O ATOM 537 CB ILE A 35 0.885 12.773 -6.740 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.442 12.853 -8.220 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.248 12.150 -5.903 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.160 11.485 -8.837 1.00 0.00 C ATOM 0 H ILE A 35 2.860 13.898 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 35 0.417 14.840 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 35 1.761 12.134 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.455 13.469 -8.292 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.219 13.353 -8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.483 11.158 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.070 12.068 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.134 12.782 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.146 11.610 -9.876 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.062 10.874 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.637 10.992 -8.281 1.00 0.00 H new ATOM 552 N CYS A 36 0.764 14.791 -3.919 1.00 0.00 N ATOM 553 CA CYS A 36 0.870 14.813 -2.457 1.00 0.00 C ATOM 554 C CYS A 36 0.605 13.418 -1.838 1.00 0.00 C ATOM 555 O CYS A 36 -0.483 12.865 -2.023 1.00 0.00 O ATOM 556 CB CYS A 36 -0.161 15.816 -1.916 1.00 0.00 C ATOM 557 SG CYS A 36 0.022 17.447 -2.704 1.00 0.00 S ATOM 0 H CYS A 36 -0.060 15.288 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 36 1.884 15.105 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.167 15.436 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.042 15.916 -0.837 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.867 18.264 -2.222 1.00 0.00 H new ATOM 563 N GLN A 37 1.558 12.864 -1.073 1.00 0.00 N ATOM 564 CA GLN A 37 1.548 11.476 -0.570 1.00 0.00 C ATOM 565 C GLN A 37 0.322 11.138 0.274 1.00 0.00 C ATOM 566 O GLN A 37 -0.208 10.032 0.158 1.00 0.00 O ATOM 567 CB GLN A 37 2.843 11.113 0.185 1.00 0.00 C ATOM 568 CG GLN A 37 4.133 11.207 -0.655 1.00 0.00 C ATOM 569 CD GLN A 37 4.822 12.569 -0.521 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.177 13.609 -0.468 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.138 12.618 -0.392 1.00 0.00 N ATOM 0 H GLN A 37 2.384 13.384 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 37 1.493 10.859 -1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.940 11.772 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.750 10.097 0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.823 10.422 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.894 11.026 -1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.687 11.759 -0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.604 13.514 -0.250 1.00 0.00 H new ATOM 580 N ARG A 38 -0.148 12.079 1.091 1.00 0.00 N ATOM 581 CA ARG A 38 -1.377 11.928 1.863 1.00 0.00 C ATOM 582 C ARG A 38 -2.544 11.527 0.973 1.00 0.00 C ATOM 583 O ARG A 38 -3.247 10.567 1.269 1.00 0.00 O ATOM 584 CB ARG A 38 -1.669 13.207 2.665 1.00 0.00 C ATOM 585 CG ARG A 38 -1.533 14.543 1.937 1.00 0.00 C ATOM 586 CD ARG A 38 -2.675 15.516 2.252 1.00 0.00 C ATOM 587 NE ARG A 38 -2.559 16.715 1.413 1.00 0.00 N ATOM 588 CZ ARG A 38 -1.720 17.737 1.636 1.00 0.00 C ATOM 589 NH1 ARG A 38 -1.113 17.895 2.810 1.00 0.00 N ATOM 590 NH2 ARG A 38 -1.486 18.607 0.668 1.00 0.00 N ATOM 0 H ARG A 38 0.318 12.974 1.236 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.239 11.117 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.686 13.137 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.001 13.224 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.584 15.004 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.502 14.363 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.635 15.031 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.646 15.795 3.305 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.165 16.776 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.282 17.230 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.479 18.681 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.942 18.497 -0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.850 19.388 0.827 1.00 0.00 H new ATOM 604 N ILE A 39 -2.730 12.260 -0.121 1.00 0.00 N ATOM 605 CA ILE A 39 -3.854 12.082 -1.016 1.00 0.00 C ATOM 606 C ILE A 39 -3.706 10.751 -1.738 1.00 0.00 C ATOM 607 O ILE A 39 -4.692 10.037 -1.879 1.00 0.00 O ATOM 608 CB ILE A 39 -3.938 13.242 -2.023 1.00 0.00 C ATOM 609 CG1 ILE A 39 -3.904 14.608 -1.325 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.188 13.033 -2.903 1.00 0.00 C ATOM 611 CD1 ILE A 39 -3.928 15.736 -2.352 1.00 0.00 C ATOM 0 H ILE A 39 -2.092 13.002 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.779 12.080 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.060 13.241 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.758 14.701 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.007 14.687 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.265 13.846 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.105 12.084 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.078 13.020 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.903 16.697 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.060 15.652 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.838 15.666 -2.948 1.00 0.00 H new ATOM 623 N PHE A 40 -2.498 10.423 -2.204 1.00 0.00 N ATOM 624 CA PHE A 40 -2.254 9.155 -2.871 1.00 0.00 C ATOM 625 C PHE A 40 -2.752 8.004 -1.998 1.00 0.00 C ATOM 626 O PHE A 40 -3.501 7.147 -2.463 1.00 0.00 O ATOM 627 CB PHE A 40 -0.757 9.017 -3.162 1.00 0.00 C ATOM 628 CG PHE A 40 -0.327 7.604 -3.493 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.872 6.937 -4.606 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.541 6.920 -2.621 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.593 5.576 -4.812 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.835 5.566 -2.842 1.00 0.00 C ATOM 633 CZ PHE A 40 0.226 4.882 -3.907 1.00 0.00 C ATOM 0 H PHE A 40 -1.677 11.023 -2.128 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.798 9.122 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.496 9.671 -3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.194 9.365 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.504 7.471 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.981 7.438 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.009 5.063 -5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.529 5.050 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.388 3.821 -4.030 1.00 0.00 H new ATOM 643 N GLY A 41 -2.362 8.017 -0.726 1.00 0.00 N ATOM 644 CA GLY A 41 -2.861 7.070 0.261 1.00 0.00 C ATOM 645 C GLY A 41 -4.388 7.063 0.317 1.00 0.00 C ATOM 646 O GLY A 41 -5.008 6.025 0.097 1.00 0.00 O ATOM 0 H GLY A 41 -1.690 8.687 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.501 6.070 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.462 7.324 1.243 1.00 0.00 H new ATOM 650 N GLU A 42 -4.984 8.224 0.571 1.00 0.00 N ATOM 651 CA GLU A 42 -6.416 8.412 0.782 1.00 0.00 C ATOM 652 C GLU A 42 -7.275 8.097 -0.457 1.00 0.00 C ATOM 653 O GLU A 42 -8.479 7.855 -0.328 1.00 0.00 O ATOM 654 CB GLU A 42 -6.623 9.875 1.193 1.00 0.00 C ATOM 655 CG GLU A 42 -6.154 10.186 2.624 1.00 0.00 C ATOM 656 CD GLU A 42 -7.309 10.233 3.623 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.120 11.181 3.529 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.373 9.404 4.561 1.00 0.00 O ATOM 0 H GLU A 42 -4.460 9.097 0.638 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.742 7.711 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.086 10.519 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.681 10.122 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.436 9.429 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.633 11.143 2.632 1.00 0.00 H new ATOM 665 N LYS A 43 -6.707 8.113 -1.666 1.00 0.00 N ATOM 666 CA LYS A 43 -7.424 7.898 -2.928 1.00 0.00 C ATOM 667 C LYS A 43 -7.151 6.521 -3.524 1.00 0.00 C ATOM 668 O LYS A 43 -8.059 5.951 -4.127 1.00 0.00 O ATOM 669 CB LYS A 43 -7.044 8.987 -3.950 1.00 0.00 C ATOM 670 CG LYS A 43 -7.686 10.360 -3.662 1.00 0.00 C ATOM 671 CD LYS A 43 -9.186 10.424 -3.998 1.00 0.00 C ATOM 672 CE LYS A 43 -9.423 10.400 -5.516 1.00 0.00 C ATOM 673 NZ LYS A 43 -10.806 10.016 -5.861 1.00 0.00 N ATOM 0 H LYS A 43 -5.710 8.280 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.489 7.956 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.960 9.098 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.342 8.658 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.548 10.602 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.161 11.124 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.700 9.582 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.616 11.332 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.207 11.385 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.728 9.700 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.918 10.014 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.005 9.065 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.470 10.698 -5.442 1.00 0.00 H new ATOM 687 N VAL A 44 -5.930 6.001 -3.394 1.00 0.00 N ATOM 688 CA VAL A 44 -5.503 4.790 -4.103 1.00 0.00 C ATOM 689 C VAL A 44 -5.277 3.639 -3.125 1.00 0.00 C ATOM 690 O VAL A 44 -5.688 2.509 -3.397 1.00 0.00 O ATOM 691 CB VAL A 44 -4.236 5.074 -4.942 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.824 3.837 -5.753 1.00 0.00 C ATOM 693 CG2 VAL A 44 -4.438 6.254 -5.910 1.00 0.00 C ATOM 0 H VAL A 44 -5.209 6.405 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.298 4.490 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.449 5.331 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.930 4.064 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.615 3.010 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.634 3.558 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.523 6.418 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.255 6.027 -6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.679 7.153 -5.343 1.00 0.00 H new ATOM 703 N LEU A 45 -4.583 3.888 -2.010 1.00 0.00 N ATOM 704 CA LEU A 45 -4.261 2.829 -1.056 1.00 0.00 C ATOM 705 C LEU A 45 -5.416 2.592 -0.079 1.00 0.00 C ATOM 706 O LEU A 45 -5.454 1.538 0.555 1.00 0.00 O ATOM 707 CB LEU A 45 -2.951 3.128 -0.304 1.00 0.00 C ATOM 708 CG LEU A 45 -1.705 3.280 -1.207 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.464 3.658 -0.392 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.376 1.969 -1.912 1.00 0.00 C ATOM 0 H LEU A 45 -4.236 4.811 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.112 1.911 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.080 4.045 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.768 2.326 0.412 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.947 4.063 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.393 3.756 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.638 4.606 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.263 2.881 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.496 2.105 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.176 1.197 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.221 1.667 -2.531 1.00 0.00 H new ATOM 722 N GLY A 46 -6.350 3.540 0.045 1.00 0.00 N ATOM 723 CA GLY A 46 -7.421 3.508 1.028 1.00 0.00 C ATOM 724 C GLY A 46 -6.855 3.491 2.446 1.00 0.00 C ATOM 725 O GLY A 46 -7.326 2.718 3.280 1.00 0.00 O ATOM 0 H GLY A 46 -6.377 4.367 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.065 4.378 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.041 2.626 0.868 1.00 0.00 H new ATOM 729 N LEU A 47 -5.824 4.300 2.719 1.00 0.00 N ATOM 730 CA LEU A 47 -5.182 4.398 4.027 1.00 0.00 C ATOM 731 C LEU A 47 -5.204 5.846 4.498 1.00 0.00 C ATOM 732 O LEU A 47 -5.114 6.761 3.678 1.00 0.00 O ATOM 733 CB LEU A 47 -3.718 3.938 3.939 1.00 0.00 C ATOM 734 CG LEU A 47 -3.505 2.439 3.666 1.00 0.00 C ATOM 735 CD1 LEU A 47 -2.000 2.204 3.531 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.053 1.547 4.780 1.00 0.00 C ATOM 0 H LEU A 47 -5.408 4.915 2.020 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.724 3.762 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.225 4.506 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.220 4.193 4.874 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.046 2.176 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.813 1.148 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.611 2.800 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.502 2.497 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.873 0.501 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.553 1.787 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.125 1.715 4.887 1.00 0.00 H new ATOM 748 N SER A 48 -5.243 6.034 5.818 1.00 0.00 N ATOM 749 CA SER A 48 -5.144 7.320 6.474 1.00 0.00 C ATOM 750 C SER A 48 -3.804 7.985 6.157 1.00 0.00 C ATOM 751 O SER A 48 -2.779 7.317 5.997 1.00 0.00 O ATOM 752 CB SER A 48 -5.304 7.113 7.984 1.00 0.00 C ATOM 753 OG SER A 48 -6.464 6.360 8.296 1.00 0.00 O ATOM 0 H SER A 48 -5.348 5.261 6.475 1.00 0.00 H new ATOM 0 HA SER A 48 -5.932 7.980 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.424 6.602 8.375 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.357 8.082 8.479 1.00 0.00 H new ATOM 0 HG SER A 48 -6.530 6.248 9.267 1.00 0.00 H new ATOM 759 N GLN A 49 -3.812 9.315 6.138 1.00 0.00 N ATOM 760 CA GLN A 49 -2.671 10.160 5.827 1.00 0.00 C ATOM 761 C GLN A 49 -1.462 9.799 6.685 1.00 0.00 C ATOM 762 O GLN A 49 -0.377 9.589 6.141 1.00 0.00 O ATOM 763 CB GLN A 49 -3.061 11.638 6.009 1.00 0.00 C ATOM 764 CG GLN A 49 -1.828 12.557 6.026 1.00 0.00 C ATOM 765 CD GLN A 49 -2.175 14.035 5.941 1.00 0.00 C ATOM 766 OE1 GLN A 49 -3.305 14.452 6.169 1.00 0.00 O ATOM 767 NE2 GLN A 49 -1.208 14.872 5.629 1.00 0.00 N ATOM 0 H GLN A 49 -4.652 9.853 6.349 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.385 9.995 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.728 11.940 5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.615 11.756 6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.262 12.376 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.178 12.296 5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.270 14.520 5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.397 15.873 5.576 1.00 0.00 H new ATOM 776 N GLY A 50 -1.625 9.802 8.009 1.00 0.00 N ATOM 777 CA GLY A 50 -0.554 9.608 8.975 1.00 0.00 C ATOM 778 C GLY A 50 0.011 8.198 8.877 1.00 0.00 C ATOM 779 O GLY A 50 1.232 8.031 8.911 1.00 0.00 O ATOM 0 H GLY A 50 -2.535 9.944 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.238 10.336 8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.930 9.785 9.983 1.00 0.00 H new ATOM 783 N SER A 51 -0.873 7.215 8.684 1.00 0.00 N ATOM 784 CA SER A 51 -0.509 5.833 8.447 1.00 0.00 C ATOM 785 C SER A 51 0.398 5.745 7.221 1.00 0.00 C ATOM 786 O SER A 51 1.554 5.351 7.353 1.00 0.00 O ATOM 787 CB SER A 51 -1.772 4.979 8.306 1.00 0.00 C ATOM 788 OG SER A 51 -2.623 5.157 9.425 1.00 0.00 O ATOM 0 H SER A 51 -1.881 7.371 8.690 1.00 0.00 H new ATOM 0 HA SER A 51 0.051 5.440 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.301 5.251 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.498 3.928 8.214 1.00 0.00 H new ATOM 0 HG SER A 51 -3.426 4.605 9.317 1.00 0.00 H new ATOM 794 N VAL A 52 -0.082 6.146 6.039 1.00 0.00 N ATOM 795 CA VAL A 52 0.686 6.072 4.803 1.00 0.00 C ATOM 796 C VAL A 52 1.979 6.907 4.882 1.00 0.00 C ATOM 797 O VAL A 52 2.968 6.560 4.236 1.00 0.00 O ATOM 798 CB VAL A 52 -0.257 6.439 3.628 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.017 7.817 3.010 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.233 5.349 2.555 1.00 0.00 C ATOM 0 H VAL A 52 -1.018 6.532 5.918 1.00 0.00 H new ATOM 0 HA VAL A 52 1.048 5.059 4.630 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.256 6.503 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.685 7.997 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.105 8.588 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.036 7.846 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.901 5.626 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.781 5.239 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.562 4.404 2.988 1.00 0.00 H new ATOM 810 N SER A 53 1.983 7.987 5.672 1.00 0.00 N ATOM 811 CA SER A 53 3.123 8.863 5.902 1.00 0.00 C ATOM 812 C SER A 53 4.235 8.088 6.613 1.00 0.00 C ATOM 813 O SER A 53 5.370 8.079 6.127 1.00 0.00 O ATOM 814 CB SER A 53 2.647 10.084 6.704 1.00 0.00 C ATOM 815 OG SER A 53 3.610 11.110 6.813 1.00 0.00 O ATOM 0 H SER A 53 1.153 8.281 6.187 1.00 0.00 H new ATOM 0 HA SER A 53 3.539 9.219 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.751 10.489 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.362 9.760 7.705 1.00 0.00 H new ATOM 0 HG SER A 53 3.239 11.853 7.333 1.00 0.00 H new ATOM 821 N ASP A 54 3.901 7.433 7.736 1.00 0.00 N ATOM 822 CA ASP A 54 4.807 6.532 8.454 1.00 0.00 C ATOM 823 C ASP A 54 5.285 5.429 7.523 1.00 0.00 C ATOM 824 O ASP A 54 6.478 5.166 7.464 1.00 0.00 O ATOM 825 CB ASP A 54 4.106 5.897 9.666 1.00 0.00 C ATOM 826 CG ASP A 54 5.039 4.934 10.407 1.00 0.00 C ATOM 827 OD1 ASP A 54 5.994 5.427 11.059 1.00 0.00 O ATOM 828 OD2 ASP A 54 4.808 3.701 10.380 1.00 0.00 O ATOM 0 H ASP A 54 2.983 7.517 8.173 1.00 0.00 H new ATOM 0 HA ASP A 54 5.657 7.118 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.772 6.680 10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.216 5.362 9.335 1.00 0.00 H new ATOM 833 N MET A 55 4.350 4.839 6.774 1.00 0.00 N ATOM 834 CA MET A 55 4.573 3.702 5.895 1.00 0.00 C ATOM 835 C MET A 55 5.652 4.019 4.868 1.00 0.00 C ATOM 836 O MET A 55 6.745 3.459 4.930 1.00 0.00 O ATOM 837 CB MET A 55 3.243 3.305 5.232 1.00 0.00 C ATOM 838 CG MET A 55 3.067 1.794 5.240 1.00 0.00 C ATOM 839 SD MET A 55 1.480 1.222 4.587 1.00 0.00 S ATOM 840 CE MET A 55 0.434 1.547 6.034 1.00 0.00 C ATOM 0 H MET A 55 3.381 5.157 6.767 1.00 0.00 H new ATOM 0 HA MET A 55 4.932 2.853 6.476 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.413 3.775 5.760 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.218 3.673 4.206 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.870 1.344 4.656 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.176 1.433 6.263 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.527 1.049 5.907 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.924 1.166 6.930 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.276 2.621 6.135 1.00 0.00 H new ATOM 850 N LEU A 56 5.362 4.952 3.955 1.00 0.00 N ATOM 851 CA LEU A 56 6.306 5.368 2.919 1.00 0.00 C ATOM 852 C LEU A 56 7.612 5.919 3.495 1.00 0.00 C ATOM 853 O LEU A 56 8.621 5.908 2.785 1.00 0.00 O ATOM 854 CB LEU A 56 5.688 6.428 1.984 1.00 0.00 C ATOM 855 CG LEU A 56 4.571 5.936 1.044 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.165 7.072 0.098 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.016 4.753 0.175 1.00 0.00 C ATOM 0 H LEU A 56 4.466 5.438 3.916 1.00 0.00 H new ATOM 0 HA LEU A 56 6.534 4.465 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.289 7.235 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.485 6.855 1.375 1.00 0.00 H new ATOM 0 HG LEU A 56 3.743 5.617 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.375 6.726 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.803 7.919 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.028 7.380 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.192 4.445 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.865 5.052 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.307 3.920 0.815 1.00 0.00 H new ATOM 869 N SER A 57 7.627 6.423 4.732 1.00 0.00 N ATOM 870 CA SER A 57 8.853 6.895 5.352 1.00 0.00 C ATOM 871 C SER A 57 9.695 5.712 5.834 1.00 0.00 C ATOM 872 O SER A 57 10.885 5.644 5.519 1.00 0.00 O ATOM 873 CB SER A 57 8.523 7.869 6.488 1.00 0.00 C ATOM 874 OG SER A 57 9.678 8.579 6.891 1.00 0.00 O ATOM 0 H SER A 57 6.798 6.512 5.319 1.00 0.00 H new ATOM 0 HA SER A 57 9.448 7.436 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.755 8.570 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.113 7.320 7.336 1.00 0.00 H new ATOM 0 HG SER A 57 9.446 9.197 7.616 1.00 0.00 H new ATOM 880 N ARG A 58 9.105 4.799 6.605 1.00 0.00 N ATOM 881 CA ARG A 58 9.785 3.750 7.354 1.00 0.00 C ATOM 882 C ARG A 58 9.037 2.431 7.137 1.00 0.00 C ATOM 883 O ARG A 58 8.394 1.941 8.074 1.00 0.00 O ATOM 884 CB ARG A 58 9.870 4.152 8.842 1.00 0.00 C ATOM 885 CG ARG A 58 10.744 5.398 9.045 1.00 0.00 C ATOM 886 CD ARG A 58 11.273 5.515 10.480 1.00 0.00 C ATOM 887 NE ARG A 58 10.376 6.281 11.353 1.00 0.00 N ATOM 888 CZ ARG A 58 10.733 6.829 12.516 1.00 0.00 C ATOM 889 NH1 ARG A 58 11.871 6.488 13.116 1.00 0.00 N ATOM 890 NH2 ARG A 58 9.915 7.700 13.086 1.00 0.00 N ATOM 0 H ARG A 58 8.093 4.772 6.728 1.00 0.00 H new ATOM 0 HA ARG A 58 10.808 3.615 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.868 4.344 9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.278 3.323 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.585 5.365 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.165 6.288 8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.411 4.516 10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.253 5.992 10.464 1.00 0.00 H new ATOM 0 HE ARG A 58 9.410 6.403 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.487 5.797 12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.128 6.918 14.005 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.032 7.940 12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.168 8.131 13.975 1.00 0.00 H new ATOM 904 N PRO A 59 9.101 1.833 5.934 1.00 0.00 N ATOM 905 CA PRO A 59 8.396 0.590 5.651 1.00 0.00 C ATOM 906 C PRO A 59 9.007 -0.572 6.448 1.00 0.00 C ATOM 907 O PRO A 59 10.104 -0.468 7.002 1.00 0.00 O ATOM 908 CB PRO A 59 8.496 0.398 4.132 1.00 0.00 C ATOM 909 CG PRO A 59 9.780 1.134 3.770 1.00 0.00 C ATOM 910 CD PRO A 59 9.832 2.292 4.763 1.00 0.00 C ATOM 0 HA PRO A 59 7.350 0.621 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.547 -0.657 3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.633 0.817 3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.652 0.487 3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.759 1.491 2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.861 2.545 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.377 3.189 4.343 1.00 0.00 H new ATOM 918 N LYS A 60 8.291 -1.695 6.497 1.00 0.00 N ATOM 919 CA LYS A 60 8.709 -2.976 7.068 1.00 0.00 C ATOM 920 C LYS A 60 9.112 -3.926 5.929 1.00 0.00 C ATOM 921 O LYS A 60 8.690 -3.699 4.786 1.00 0.00 O ATOM 922 CB LYS A 60 7.514 -3.552 7.860 1.00 0.00 C ATOM 923 CG LYS A 60 7.164 -2.732 9.112 1.00 0.00 C ATOM 924 CD LYS A 60 8.165 -2.965 10.250 1.00 0.00 C ATOM 925 CE LYS A 60 7.988 -1.918 11.353 1.00 0.00 C ATOM 926 NZ LYS A 60 9.001 -2.100 12.413 1.00 0.00 N ATOM 0 H LYS A 60 7.346 -1.738 6.116 1.00 0.00 H new ATOM 0 HA LYS A 60 9.564 -2.852 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.642 -3.597 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.743 -4.576 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.145 -1.672 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.162 -2.997 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.025 -3.963 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.182 -2.921 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.074 -0.918 10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.989 -1.998 11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.864 -1.381 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.901 -3.047 12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.952 -2.000 12.005 1.00 0.00 H new ATOM 940 N PRO A 61 9.861 -5.008 6.201 1.00 0.00 N ATOM 941 CA PRO A 61 10.170 -6.004 5.180 1.00 0.00 C ATOM 942 C PRO A 61 8.889 -6.717 4.746 1.00 0.00 C ATOM 943 O PRO A 61 7.951 -6.831 5.541 1.00 0.00 O ATOM 944 CB PRO A 61 11.160 -6.969 5.831 1.00 0.00 C ATOM 945 CG PRO A 61 10.928 -6.813 7.327 1.00 0.00 C ATOM 946 CD PRO A 61 10.427 -5.383 7.489 1.00 0.00 C ATOM 0 HA PRO A 61 10.599 -5.561 4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.983 -7.995 5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.187 -6.723 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.196 -7.534 7.692 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.846 -6.978 7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.678 -5.319 8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.241 -4.714 7.767 1.00 0.00 H new ATOM 954 N TRP A 62 8.866 -7.285 3.538 1.00 0.00 N ATOM 955 CA TRP A 62 7.750 -8.120 3.090 1.00 0.00 C ATOM 956 C TRP A 62 7.537 -9.304 4.040 1.00 0.00 C ATOM 957 O TRP A 62 6.406 -9.728 4.289 1.00 0.00 O ATOM 958 CB TRP A 62 8.026 -8.619 1.673 1.00 0.00 C ATOM 959 CG TRP A 62 6.853 -9.210 0.970 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.608 -10.530 0.817 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.737 -8.521 0.336 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.518 -10.697 -0.011 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.941 -9.492 -0.334 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.316 -7.177 0.247 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.830 -9.144 -1.108 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.179 -6.820 -0.502 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.447 -7.802 -1.189 1.00 0.00 C ATOM 0 H TRP A 62 9.612 -7.181 2.850 1.00 0.00 H new ATOM 0 HA TRP A 62 6.839 -7.521 3.092 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.404 -7.787 1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.818 -9.366 1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.176 -11.328 1.271 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.182 -11.601 -0.342 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.875 -6.410 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.274 -9.903 -1.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.868 -5.787 -0.549 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.588 -7.520 -1.780 1.00 0.00 H new ATOM 978 N SER A 63 8.626 -9.772 4.650 1.00 0.00 N ATOM 979 CA SER A 63 8.665 -10.806 5.668 1.00 0.00 C ATOM 980 C SER A 63 7.694 -10.498 6.814 1.00 0.00 C ATOM 981 O SER A 63 7.028 -11.393 7.335 1.00 0.00 O ATOM 982 CB SER A 63 10.096 -10.899 6.227 1.00 0.00 C ATOM 983 OG SER A 63 11.107 -10.595 5.274 1.00 0.00 O ATOM 0 H SER A 63 9.555 -9.414 4.429 1.00 0.00 H new ATOM 0 HA SER A 63 8.366 -11.751 5.214 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.190 -10.218 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.262 -11.906 6.609 1.00 0.00 H new ATOM 0 HG SER A 63 11.988 -10.672 5.696 1.00 0.00 H new ATOM 989 N LYS A 64 7.609 -9.226 7.217 1.00 0.00 N ATOM 990 CA LYS A 64 6.797 -8.794 8.349 1.00 0.00 C ATOM 991 C LYS A 64 5.329 -8.651 7.999 1.00 0.00 C ATOM 992 O LYS A 64 4.487 -8.752 8.893 1.00 0.00 O ATOM 993 CB LYS A 64 7.334 -7.456 8.898 1.00 0.00 C ATOM 994 CG LYS A 64 8.421 -7.693 9.949 1.00 0.00 C ATOM 995 CD LYS A 64 7.774 -8.203 11.248 1.00 0.00 C ATOM 996 CE LYS A 64 8.732 -9.067 12.058 1.00 0.00 C ATOM 997 NZ LYS A 64 7.989 -9.981 12.944 1.00 0.00 N ATOM 0 H LYS A 64 8.108 -8.463 6.759 1.00 0.00 H new ATOM 0 HA LYS A 64 6.871 -9.571 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.737 -6.859 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.516 -6.884 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.146 -8.419 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.966 -6.768 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.452 -7.354 11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.881 -8.779 11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.368 -9.642 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.389 -8.431 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.661 -10.561 13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.401 -9.428 13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.381 -10.601 12.372 1.00 0.00 H new ATOM 1011 N LEU A 65 5.018 -8.388 6.735 1.00 0.00 N ATOM 1012 CA LEU A 65 3.660 -8.122 6.306 1.00 0.00 C ATOM 1013 C LEU A 65 2.932 -9.461 6.180 1.00 0.00 C ATOM 1014 O LEU A 65 3.424 -10.374 5.512 1.00 0.00 O ATOM 1015 CB LEU A 65 3.679 -7.366 4.971 1.00 0.00 C ATOM 1016 CG LEU A 65 4.422 -6.018 4.958 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.380 -5.452 3.534 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.825 -5.002 5.936 1.00 0.00 C ATOM 0 H LEU A 65 5.705 -8.354 5.982 1.00 0.00 H new ATOM 0 HA LEU A 65 3.137 -7.497 7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.131 -8.012 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.648 -7.191 4.663 1.00 0.00 H new ATOM 0 HG LEU A 65 5.448 -6.197 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.903 -4.496 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.864 -6.150 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.343 -5.308 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.390 -4.071 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.785 -4.811 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.875 -5.400 6.950 1.00 0.00 H new ATOM 1030 N THR A 66 1.760 -9.580 6.799 1.00 0.00 N ATOM 1031 CA THR A 66 0.773 -10.635 6.535 1.00 0.00 C ATOM 1032 C THR A 66 0.094 -10.353 5.183 1.00 0.00 C ATOM 1033 O THR A 66 0.394 -9.321 4.589 1.00 0.00 O ATOM 1034 CB THR A 66 -0.253 -10.604 7.679 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.885 -9.334 7.712 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.396 -10.906 9.031 1.00 0.00 C ATOM 0 H THR A 66 1.457 -8.927 7.521 1.00 0.00 H new ATOM 0 HA THR A 66 1.239 -11.619 6.486 1.00 0.00 H new ATOM 0 HB THR A 66 -0.994 -11.381 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.541 -9.314 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.362 -10.875 9.814 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.849 -11.897 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.164 -10.162 9.240 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.872 -11.149 4.695 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.675 -10.695 3.549 1.00 0.00 C ATOM 1046 C GLN A 67 -2.344 -9.351 3.854 1.00 0.00 C ATOM 1047 O GLN A 67 -2.278 -8.441 3.033 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.764 -11.684 3.125 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.263 -12.880 2.299 1.00 0.00 C ATOM 1050 CD GLN A 67 -3.236 -13.263 1.176 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -4.449 -13.093 1.297 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -2.737 -13.750 0.056 1.00 0.00 N ATOM 0 H GLN A 67 -1.109 -12.072 5.058 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.967 -10.604 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.261 -12.061 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.515 -11.149 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.291 -12.639 1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.116 -13.737 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.731 -13.888 -0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.358 -13.989 -0.718 1.00 0.00 H new ATOM 1061 N LYS A 68 -2.959 -9.197 5.033 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.595 -7.943 5.432 1.00 0.00 C ATOM 1063 C LYS A 68 -2.596 -6.788 5.406 1.00 0.00 C ATOM 1064 O LYS A 68 -2.967 -5.676 5.022 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.197 -8.098 6.834 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.654 -8.571 6.840 1.00 0.00 C ATOM 1067 CD LYS A 68 -5.921 -9.980 6.288 1.00 0.00 C ATOM 1068 CE LYS A 68 -6.436 -9.938 4.844 1.00 0.00 C ATOM 1069 NZ LYS A 68 -7.173 -11.169 4.505 1.00 0.00 N ATOM 0 H LYS A 68 -3.028 -9.937 5.732 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.388 -7.712 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.594 -8.807 7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.135 -7.141 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.021 -8.531 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.245 -7.861 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.003 -10.567 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.651 -10.486 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.087 -9.073 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.597 -9.813 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.510 -11.113 3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.543 -11.990 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.987 -11.274 5.144 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.343 -7.050 5.785 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.269 -6.075 5.742 1.00 0.00 C ATOM 1085 C GLY A 69 0.261 -5.837 4.329 1.00 0.00 C ATOM 1086 O GLY A 69 0.701 -4.733 4.041 1.00 0.00 O ATOM 0 H GLY A 69 -1.049 -7.962 6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.625 -5.131 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.548 -6.414 6.379 1.00 0.00 H new ATOM 1090 N ARG A 70 0.257 -6.841 3.445 1.00 0.00 N ATOM 1091 CA ARG A 70 0.707 -6.740 2.054 1.00 0.00 C ATOM 1092 C ARG A 70 -0.326 -5.994 1.215 1.00 0.00 C ATOM 1093 O ARG A 70 0.049 -5.355 0.241 1.00 0.00 O ATOM 1094 CB ARG A 70 0.974 -8.150 1.476 1.00 0.00 C ATOM 1095 CG ARG A 70 2.217 -8.808 2.099 1.00 0.00 C ATOM 1096 CD ARG A 70 2.334 -10.323 1.890 1.00 0.00 C ATOM 1097 NE ARG A 70 3.443 -10.864 2.696 1.00 0.00 N ATOM 1098 CZ ARG A 70 4.140 -11.992 2.508 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.800 -12.897 1.596 1.00 0.00 N ATOM 1100 NH2 ARG A 70 5.219 -12.201 3.248 1.00 0.00 N ATOM 0 H ARG A 70 -0.070 -7.776 3.687 1.00 0.00 H new ATOM 0 HA ARG A 70 1.639 -6.176 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.104 -8.783 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.105 -8.079 0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.106 -8.332 1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.216 -8.605 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.400 -10.809 2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.502 -10.540 0.835 1.00 0.00 H new ATOM 0 HE ARG A 70 3.716 -10.305 3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.981 -12.745 1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.358 -13.743 1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.503 -11.510 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.766 -13.053 3.123 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.597 -6.022 1.606 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.742 -5.478 0.890 1.00 0.00 C ATOM 1116 C GLU A 71 -2.529 -4.059 0.313 1.00 0.00 C ATOM 1117 O GLU A 71 -2.750 -3.872 -0.885 1.00 0.00 O ATOM 1118 CB GLU A 71 -3.962 -5.560 1.818 1.00 0.00 C ATOM 1119 CG GLU A 71 -5.235 -5.940 1.073 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.433 -5.324 1.791 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.836 -5.850 2.857 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.874 -4.239 1.349 1.00 0.00 O ATOM 0 H GLU A 71 -1.870 -6.454 2.489 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.902 -6.083 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.770 -6.293 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.106 -4.598 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.189 -5.584 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.338 -7.024 1.031 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.095 -3.040 1.085 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.853 -1.714 0.524 1.00 0.00 C ATOM 1131 C PRO A 72 -0.602 -1.721 -0.360 1.00 0.00 C ATOM 1132 O PRO A 72 -0.599 -1.145 -1.445 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.731 -0.778 1.729 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.243 -1.680 2.860 1.00 0.00 C ATOM 1135 CD PRO A 72 -1.842 -3.043 2.520 1.00 0.00 C ATOM 0 HA PRO A 72 -2.658 -1.382 -0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.028 0.031 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.688 -0.317 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.154 -1.720 2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.584 -1.324 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.157 -3.846 2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.765 -3.210 3.076 1.00 0.00 H new ATOM 1143 N PHE A 73 0.459 -2.411 0.058 1.00 0.00 N ATOM 1144 CA PHE A 73 1.704 -2.505 -0.692 1.00 0.00 C ATOM 1145 C PHE A 73 1.505 -3.136 -2.066 1.00 0.00 C ATOM 1146 O PHE A 73 2.203 -2.778 -3.002 1.00 0.00 O ATOM 1147 CB PHE A 73 2.730 -3.295 0.113 1.00 0.00 C ATOM 1148 CG PHE A 73 3.242 -2.510 1.298 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.355 -1.677 1.134 1.00 0.00 C ATOM 1150 CD2 PHE A 73 2.593 -2.560 2.540 1.00 0.00 C ATOM 1151 CE1 PHE A 73 4.863 -0.947 2.218 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.079 -1.813 3.625 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.220 -1.009 3.461 1.00 0.00 C ATOM 0 H PHE A 73 0.475 -2.926 0.939 1.00 0.00 H new ATOM 0 HA PHE A 73 2.069 -1.491 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.281 -4.225 0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.566 -3.566 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.826 -1.596 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.715 -3.176 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.747 -0.339 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.578 -1.856 4.581 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.602 -0.438 4.295 1.00 0.00 H new ATOM 1163 N ILE A 74 0.564 -4.058 -2.213 1.00 0.00 N ATOM 1164 CA ILE A 74 0.184 -4.644 -3.488 1.00 0.00 C ATOM 1165 C ILE A 74 -0.374 -3.562 -4.404 1.00 0.00 C ATOM 1166 O ILE A 74 0.054 -3.476 -5.552 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.855 -5.751 -3.194 1.00 0.00 C ATOM 1168 CG1 ILE A 74 -0.123 -7.008 -2.690 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.773 -6.052 -4.382 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -1.011 -7.915 -1.836 1.00 0.00 C ATOM 0 H ILE A 74 0.030 -4.428 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 74 1.040 -5.082 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.524 -5.388 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.248 -7.573 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.746 -6.706 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.477 -6.837 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.322 -5.151 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.174 -6.382 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.438 -8.784 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.361 -7.364 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.867 -8.245 -2.425 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.312 -2.735 -3.931 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.826 -1.645 -4.729 1.00 0.00 C ATOM 1184 C ARG A 75 -0.700 -0.685 -5.096 1.00 0.00 C ATOM 1185 O ARG A 75 -0.671 -0.212 -6.224 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.942 -0.944 -3.956 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.261 -1.739 -3.913 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.406 -0.717 -3.799 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.753 -1.289 -3.972 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.851 -0.543 -4.178 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -7.776 0.782 -4.211 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -9.041 -1.105 -4.336 1.00 0.00 N ATOM 0 H ARG A 75 -1.723 -2.809 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.241 -2.027 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.605 -0.761 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.130 0.029 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.374 -2.345 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.270 -2.423 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.352 -0.236 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.257 0.062 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.857 -2.303 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.877 1.245 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.617 1.337 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.134 -2.120 -4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.864 -0.522 -4.491 1.00 0.00 H new ATOM 1206 N MET A 76 0.247 -0.448 -4.186 1.00 0.00 N ATOM 1207 CA MET A 76 1.461 0.311 -4.448 1.00 0.00 C ATOM 1208 C MET A 76 2.262 -0.293 -5.621 1.00 0.00 C ATOM 1209 O MET A 76 2.647 0.441 -6.530 1.00 0.00 O ATOM 1210 CB MET A 76 2.284 0.350 -3.147 1.00 0.00 C ATOM 1211 CG MET A 76 2.799 1.735 -2.794 1.00 0.00 C ATOM 1212 SD MET A 76 4.144 1.713 -1.576 1.00 0.00 S ATOM 1213 CE MET A 76 3.182 1.630 -0.063 1.00 0.00 C ATOM 0 H MET A 76 0.185 -0.788 -3.226 1.00 0.00 H new ATOM 0 HA MET A 76 1.210 1.327 -4.751 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.669 -0.020 -2.327 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.131 -0.330 -3.242 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.148 2.227 -3.702 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.975 2.333 -2.404 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.854 1.609 0.795 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.535 2.504 0.005 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.572 0.727 -0.069 1.00 0.00 H new ATOM 1223 N GLN A 77 2.502 -1.616 -5.615 1.00 0.00 N ATOM 1224 CA GLN A 77 3.222 -2.325 -6.677 1.00 0.00 C ATOM 1225 C GLN A 77 2.494 -2.165 -8.002 1.00 0.00 C ATOM 1226 O GLN A 77 3.113 -1.827 -9.003 1.00 0.00 O ATOM 1227 CB GLN A 77 3.365 -3.834 -6.394 1.00 0.00 C ATOM 1228 CG GLN A 77 4.303 -4.140 -5.228 1.00 0.00 C ATOM 1229 CD GLN A 77 4.364 -5.611 -4.832 1.00 0.00 C ATOM 1230 OE1 GLN A 77 5.128 -6.407 -5.365 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.600 -5.981 -3.820 1.00 0.00 N ATOM 0 H GLN A 77 2.195 -2.228 -4.859 1.00 0.00 H new ATOM 0 HA GLN A 77 4.217 -1.883 -6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.381 -4.252 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.735 -4.332 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.307 -3.806 -5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.988 -3.557 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.968 -5.308 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.642 -6.939 -3.473 1.00 0.00 H new ATOM 1240 N LEU A 78 1.187 -2.431 -8.012 1.00 0.00 N ATOM 1241 CA LEU A 78 0.394 -2.357 -9.226 1.00 0.00 C ATOM 1242 C LEU A 78 0.427 -0.947 -9.762 1.00 0.00 C ATOM 1243 O LEU A 78 0.807 -0.771 -10.910 1.00 0.00 O ATOM 1244 CB LEU A 78 -1.049 -2.827 -8.973 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.142 -4.349 -8.779 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.474 -4.722 -8.129 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.992 -5.100 -10.108 1.00 0.00 C ATOM 0 H LEU A 78 0.658 -2.701 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 78 0.822 -3.026 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.442 -2.326 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.678 -2.531 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.321 -4.644 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.525 -5.803 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.554 -4.235 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.295 -4.395 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.063 -6.173 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.784 -4.792 -10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.022 -4.869 -10.549 1.00 0.00 H new ATOM 1259 N TRP A 79 0.105 0.055 -8.945 1.00 0.00 N ATOM 1260 CA TRP A 79 0.026 1.449 -9.351 1.00 0.00 C ATOM 1261 C TRP A 79 1.253 1.914 -10.131 1.00 0.00 C ATOM 1262 O TRP A 79 1.106 2.734 -11.037 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.180 2.303 -8.092 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.144 3.786 -8.282 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.209 4.599 -8.459 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.030 4.649 -8.332 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.775 5.905 -8.548 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.601 5.990 -8.532 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.419 4.424 -8.227 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.507 7.053 -8.658 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.338 5.485 -8.315 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.884 6.796 -8.543 1.00 0.00 C ATOM 0 H TRP A 79 -0.113 -0.089 -7.959 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.815 1.563 -10.035 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.142 2.038 -7.653 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.587 2.033 -7.366 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.238 4.277 -8.521 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.397 6.711 -8.617 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.783 3.418 -8.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.151 8.056 -8.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.395 5.292 -8.207 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.593 7.606 -8.630 1.00 0.00 H new ATOM 1283 N LEU A 80 2.438 1.391 -9.799 1.00 0.00 N ATOM 1284 CA LEU A 80 3.674 1.742 -10.483 1.00 0.00 C ATOM 1285 C LEU A 80 3.561 1.499 -11.988 1.00 0.00 C ATOM 1286 O LEU A 80 4.037 2.349 -12.747 1.00 0.00 O ATOM 1287 CB LEU A 80 4.878 0.977 -9.894 1.00 0.00 C ATOM 1288 CG LEU A 80 5.621 1.769 -8.804 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.478 0.824 -7.961 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.525 2.851 -9.410 1.00 0.00 C ATOM 0 H LEU A 80 2.561 0.713 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 80 3.844 2.807 -10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.531 0.032 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.574 0.734 -10.697 1.00 0.00 H new ATOM 0 HG LEU A 80 4.868 2.252 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.000 1.394 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.839 0.078 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.207 0.326 -8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.034 3.390 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.265 2.385 -10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.920 3.548 -9.990 1.00 0.00 H new ATOM 1302 N SER A 81 3.058 0.345 -12.433 1.00 0.00 N ATOM 1303 CA SER A 81 2.788 0.067 -13.848 1.00 0.00 C ATOM 1304 C SER A 81 1.324 0.302 -14.250 1.00 0.00 C ATOM 1305 O SER A 81 1.036 0.988 -15.226 1.00 0.00 O ATOM 1306 CB SER A 81 3.275 -1.341 -14.192 1.00 0.00 C ATOM 1307 OG SER A 81 3.702 -1.388 -15.538 1.00 0.00 O ATOM 0 H SER A 81 2.824 -0.432 -11.815 1.00 0.00 H new ATOM 0 HA SER A 81 3.349 0.787 -14.443 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.095 -1.623 -13.531 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.473 -2.062 -14.031 1.00 0.00 H new ATOM 0 HG SER A 81 4.014 -2.292 -15.751 1.00 0.00 H new ATOM 1313 N ASP A 82 0.403 -0.337 -13.528 1.00 0.00 N ATOM 1314 CA ASP A 82 -1.025 -0.498 -13.817 1.00 0.00 C ATOM 1315 C ASP A 82 -1.772 0.830 -13.821 1.00 0.00 C ATOM 1316 O ASP A 82 -2.829 0.945 -14.445 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.650 -1.379 -12.720 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.083 -1.808 -13.039 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.281 -2.531 -14.041 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -4.010 -1.501 -12.252 1.00 0.00 O ATOM 0 H ASP A 82 0.657 -0.794 -12.652 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.110 -0.945 -14.808 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.034 -2.267 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.642 -0.834 -11.776 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.237 1.821 -13.101 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.728 3.185 -12.974 1.00 0.00 C ATOM 1327 C GLN A 83 -3.212 3.313 -12.580 1.00 0.00 C ATOM 1328 O GLN A 83 -3.748 4.423 -12.640 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.365 3.969 -14.249 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.741 5.325 -13.909 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.737 6.258 -15.116 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -1.658 7.055 -15.295 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.270 6.189 -15.966 1.00 0.00 N ATOM 0 H GLN A 83 -0.388 1.674 -12.555 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.222 3.633 -12.119 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.668 3.386 -14.851 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.260 4.119 -14.853 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.296 5.787 -13.093 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.280 5.179 -13.558 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.027 5.524 -15.807 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.291 6.800 -16.782 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.863 2.217 -12.163 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.279 2.070 -11.825 1.00 0.00 C ATOM 1344 C LEU A 84 -6.159 2.924 -12.737 1.00 0.00 C ATOM 1345 O LEU A 84 -6.711 3.957 -12.350 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.543 2.268 -10.327 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.895 1.126 -9.509 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.547 1.546 -8.923 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.806 0.667 -8.379 1.00 0.00 C ATOM 0 H LEU A 84 -3.364 1.335 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.567 1.037 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.141 3.228 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.617 2.293 -10.141 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.738 0.300 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.123 0.718 -8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.868 1.817 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.688 2.403 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.321 -0.136 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.004 1.503 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.746 0.304 -8.794 1.00 0.00 H new