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 -18:sc= 0.956 USER MOD Set 1.2: A 27 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.21) 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 -176:sc= 0 (180deg=-0.0303) USER MOD Single : A 14 TYR OH : rot -167:sc= 1.26 USER MOD Single : A 19 THR OG1 : rot 154:sc= 1.3 USER MOD Single : A 25 GLN : amide:sc= -0.0245 K(o=-0.024,f=-0.72) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.925 (180deg=0.781) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 36 CYS SG : rot 130:sc= 0.341 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.15) 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= -0.0946 X(o=-0.095,f=-0.095) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -134:sc= -0.42 (180deg=-2.2) 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 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00645 USER MOD Single : A 67 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) 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= -0.267 X(o=-0.27,f=-0.41) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -1.823 -8.697 -8.676 1.00 0.00 N ATOM 84 CA TYR A 9 -1.546 -8.950 -7.267 1.00 0.00 C ATOM 85 C TYR A 9 -1.097 -10.382 -6.996 1.00 0.00 C ATOM 86 O TYR A 9 -0.296 -10.607 -6.091 1.00 0.00 O ATOM 87 CB TYR A 9 -2.796 -8.640 -6.424 1.00 0.00 C ATOM 88 CG TYR A 9 -4.057 -9.349 -6.890 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.891 -8.746 -7.851 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.373 -10.630 -6.399 1.00 0.00 C ATOM 91 CE1 TYR A 9 -6.012 -9.436 -8.347 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.496 -11.320 -6.887 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.319 -10.730 -7.869 1.00 0.00 C ATOM 94 OH TYR A 9 -7.429 -11.373 -8.330 1.00 0.00 O ATOM 0 HA TYR A 9 -0.722 -8.293 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.599 -8.917 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.972 -7.564 -6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.669 -7.751 -8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.749 -11.085 -5.644 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.640 -8.975 -9.095 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.729 -12.304 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.498 -12.253 -7.904 1.00 0.00 H new ATOM 104 N GLU A 10 -1.628 -11.349 -7.745 1.00 0.00 N ATOM 105 CA GLU A 10 -1.476 -12.750 -7.393 1.00 0.00 C ATOM 106 C GLU A 10 -0.032 -13.229 -7.534 1.00 0.00 C ATOM 107 O GLU A 10 0.380 -14.120 -6.798 1.00 0.00 O ATOM 108 CB GLU A 10 -2.431 -13.636 -8.197 1.00 0.00 C ATOM 109 CG GLU A 10 -2.987 -14.721 -7.279 1.00 0.00 C ATOM 110 CD GLU A 10 -3.608 -15.879 -8.044 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.850 -16.818 -8.388 1.00 0.00 O ATOM 112 OE2 GLU A 10 -4.844 -15.885 -8.242 1.00 0.00 O ATOM 0 H GLU A 10 -2.165 -11.182 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.741 -12.839 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.244 -13.038 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.908 -14.087 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.186 -15.099 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.737 -14.284 -6.620 1.00 0.00 H new ATOM 119 N LEU A 11 0.776 -12.605 -8.397 1.00 0.00 N ATOM 120 CA LEU A 11 2.212 -12.883 -8.472 1.00 0.00 C ATOM 121 C LEU A 11 2.821 -12.712 -7.075 1.00 0.00 C ATOM 122 O LEU A 11 3.533 -13.582 -6.561 1.00 0.00 O ATOM 123 CB LEU A 11 2.839 -11.931 -9.511 1.00 0.00 C ATOM 124 CG LEU A 11 4.263 -12.243 -10.015 1.00 0.00 C ATOM 125 CD1 LEU A 11 5.367 -12.204 -8.954 1.00 0.00 C ATOM 126 CD2 LEU A 11 4.317 -13.596 -10.727 1.00 0.00 C ATOM 0 H LEU A 11 0.455 -11.898 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 11 2.409 -13.906 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.178 -11.900 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.849 -10.929 -9.082 1.00 0.00 H new ATOM 0 HG LEU A 11 4.471 -11.425 -10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.325 -12.438 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.411 -11.209 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.151 -12.937 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.334 -13.786 -11.070 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.014 -14.383 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.642 -13.584 -11.583 1.00 0.00 H new ATOM 138 N TYR A 12 2.452 -11.604 -6.432 1.00 0.00 N ATOM 139 CA TYR A 12 2.940 -11.151 -5.142 1.00 0.00 C ATOM 140 C TYR A 12 2.242 -11.874 -3.983 1.00 0.00 C ATOM 141 O TYR A 12 2.569 -11.626 -2.826 1.00 0.00 O ATOM 142 CB TYR A 12 2.741 -9.622 -5.048 1.00 0.00 C ATOM 143 CG TYR A 12 2.995 -8.844 -6.339 1.00 0.00 C ATOM 144 CD1 TYR A 12 4.113 -9.153 -7.135 1.00 0.00 C ATOM 145 CD2 TYR A 12 2.066 -7.887 -6.797 1.00 0.00 C ATOM 146 CE1 TYR A 12 4.252 -8.601 -8.419 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.218 -7.294 -8.067 1.00 0.00 C ATOM 148 CZ TYR A 12 3.303 -7.671 -8.893 1.00 0.00 C ATOM 149 OH TYR A 12 3.475 -7.147 -10.138 1.00 0.00 O ATOM 0 H TYR A 12 1.762 -10.965 -6.827 1.00 0.00 H new ATOM 0 HA TYR A 12 4.000 -11.389 -5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.720 -9.426 -4.721 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.404 -9.234 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.872 -9.821 -6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.232 -7.606 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.085 -8.888 -9.043 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.509 -6.555 -8.408 1.00 0.00 H new ATOM 0 HH TYR A 12 2.746 -6.522 -10.333 1.00 0.00 H new ATOM 159 N MET A 13 1.282 -12.764 -4.242 1.00 0.00 N ATOM 160 CA MET A 13 0.675 -13.578 -3.189 1.00 0.00 C ATOM 161 C MET A 13 1.603 -14.700 -2.727 1.00 0.00 C ATOM 162 O MET A 13 1.363 -15.273 -1.664 1.00 0.00 O ATOM 163 CB MET A 13 -0.673 -14.158 -3.631 1.00 0.00 C ATOM 164 CG MET A 13 -1.734 -13.058 -3.685 1.00 0.00 C ATOM 165 SD MET A 13 -2.196 -12.382 -2.067 1.00 0.00 S ATOM 166 CE MET A 13 -3.147 -10.953 -2.636 1.00 0.00 C ATOM 0 H MET A 13 0.908 -12.939 -5.175 1.00 0.00 H new ATOM 0 HA MET A 13 0.504 -12.912 -2.344 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.572 -14.623 -4.612 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.985 -14.939 -2.938 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.366 -12.246 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.627 -13.455 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.462 -10.360 -1.777 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.527 -10.341 -3.291 1.00 0.00 H new ATOM 0 HE3 MET A 13 -4.026 -11.295 -3.183 1.00 0.00 H new ATOM 176 N TYR A 14 2.658 -15.012 -3.486 1.00 0.00 N ATOM 177 CA TYR A 14 3.517 -16.160 -3.204 1.00 0.00 C ATOM 178 C TYR A 14 5.000 -15.794 -3.215 1.00 0.00 C ATOM 179 O TYR A 14 5.817 -16.459 -2.568 1.00 0.00 O ATOM 180 CB TYR A 14 3.267 -17.242 -4.257 1.00 0.00 C ATOM 181 CG TYR A 14 1.848 -17.402 -4.759 1.00 0.00 C ATOM 182 CD1 TYR A 14 0.853 -17.937 -3.923 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.524 -16.980 -6.063 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.461 -18.080 -4.398 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.213 -17.145 -6.551 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.784 -17.699 -5.716 1.00 0.00 C ATOM 187 OH TYR A 14 -2.061 -17.870 -6.153 1.00 0.00 O ATOM 0 H TYR A 14 2.937 -14.477 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 14 3.270 -16.518 -2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.907 -17.034 -5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.589 -18.198 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.099 -18.238 -2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.281 -16.530 -6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.226 -18.483 -3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.030 -16.849 -7.561 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.091 -17.761 -7.126 1.00 0.00 H new ATOM 197 N ARG A 15 5.369 -14.763 -3.974 1.00 0.00 N ATOM 198 CA ARG A 15 6.734 -14.265 -4.077 1.00 0.00 C ATOM 199 C ARG A 15 7.002 -13.273 -2.939 1.00 0.00 C ATOM 200 O ARG A 15 6.192 -13.161 -2.020 1.00 0.00 O ATOM 201 CB ARG A 15 6.929 -13.686 -5.490 1.00 0.00 C ATOM 202 CG ARG A 15 8.132 -14.281 -6.237 1.00 0.00 C ATOM 203 CD ARG A 15 9.495 -13.986 -5.596 1.00 0.00 C ATOM 204 NE ARG A 15 10.572 -14.588 -6.390 1.00 0.00 N ATOM 205 CZ ARG A 15 11.885 -14.547 -6.142 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.377 -14.125 -4.981 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.717 -14.938 -7.099 1.00 0.00 N ATOM 0 H ARG A 15 4.708 -14.240 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 15 7.473 -15.057 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.026 -13.863 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.055 -12.606 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.003 -15.361 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.135 -13.897 -7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.645 -12.909 -5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.519 -14.380 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 15 10.286 -15.096 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.746 -13.818 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.386 -14.109 -4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.349 -15.259 -7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.724 -14.918 -6.939 1.00 0.00 H new ATOM 221 N GLU A 16 8.126 -12.562 -2.990 1.00 0.00 N ATOM 222 CA GLU A 16 8.432 -11.433 -2.125 1.00 0.00 C ATOM 223 C GLU A 16 8.907 -10.273 -3.005 1.00 0.00 C ATOM 224 O GLU A 16 9.294 -10.466 -4.165 1.00 0.00 O ATOM 225 CB GLU A 16 9.500 -11.811 -1.083 1.00 0.00 C ATOM 226 CG GLU A 16 9.044 -12.788 0.015 1.00 0.00 C ATOM 227 CD GLU A 16 9.638 -14.201 -0.089 1.00 0.00 C ATOM 228 OE1 GLU A 16 10.884 -14.346 -0.137 1.00 0.00 O ATOM 229 OE2 GLU A 16 8.859 -15.182 -0.038 1.00 0.00 O ATOM 0 H GLU A 16 8.871 -12.765 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 16 7.541 -11.136 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.350 -12.250 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.856 -10.898 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.308 -12.369 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.957 -12.863 -0.015 1.00 0.00 H new ATOM 236 N VAL A 17 8.884 -9.074 -2.431 1.00 0.00 N ATOM 237 CA VAL A 17 9.257 -7.801 -3.025 1.00 0.00 C ATOM 238 C VAL A 17 10.034 -7.031 -1.953 1.00 0.00 C ATOM 239 O VAL A 17 9.890 -7.301 -0.755 1.00 0.00 O ATOM 240 CB VAL A 17 7.983 -7.070 -3.514 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.937 -6.937 -2.397 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.268 -5.673 -4.089 1.00 0.00 C ATOM 0 H VAL A 17 8.580 -8.962 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 17 9.892 -7.911 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 17 7.591 -7.696 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.059 -6.418 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.649 -7.929 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.360 -6.369 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.333 -5.215 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.730 -5.051 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.943 -5.761 -4.940 1.00 0.00 H new ATOM 252 N ASP A 18 10.882 -6.089 -2.357 1.00 0.00 N ATOM 253 CA ASP A 18 11.667 -5.276 -1.434 1.00 0.00 C ATOM 254 C ASP A 18 10.853 -4.041 -1.096 1.00 0.00 C ATOM 255 O ASP A 18 10.794 -3.101 -1.888 1.00 0.00 O ATOM 256 CB ASP A 18 13.026 -4.908 -2.041 1.00 0.00 C ATOM 257 CG ASP A 18 13.963 -6.108 -2.138 1.00 0.00 C ATOM 258 OD1 ASP A 18 13.845 -7.032 -1.304 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.793 -6.149 -3.070 1.00 0.00 O ATOM 0 H ASP A 18 11.044 -5.867 -3.339 1.00 0.00 H new ATOM 0 HA ASP A 18 11.879 -5.837 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.875 -4.487 -3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.494 -4.133 -1.434 1.00 0.00 H new ATOM 264 N THR A 19 10.181 -4.040 0.056 1.00 0.00 N ATOM 265 CA THR A 19 9.273 -2.951 0.401 1.00 0.00 C ATOM 266 C THR A 19 9.981 -1.592 0.489 1.00 0.00 C ATOM 267 O THR A 19 9.347 -0.584 0.184 1.00 0.00 O ATOM 268 CB THR A 19 8.469 -3.264 1.669 1.00 0.00 C ATOM 269 OG1 THR A 19 9.308 -3.642 2.741 1.00 0.00 O ATOM 270 CG2 THR A 19 7.485 -4.408 1.426 1.00 0.00 C ATOM 0 H THR A 19 10.249 -4.776 0.759 1.00 0.00 H new ATOM 0 HA THR A 19 8.563 -2.869 -0.422 1.00 0.00 H new ATOM 0 HB THR A 19 7.935 -2.349 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.867 -3.434 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.928 -4.609 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.791 -4.129 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.033 -5.303 1.131 1.00 0.00 H new ATOM 278 N LEU A 20 11.272 -1.531 0.853 1.00 0.00 N ATOM 279 CA LEU A 20 12.022 -0.285 0.776 1.00 0.00 C ATOM 280 C LEU A 20 12.022 0.238 -0.653 1.00 0.00 C ATOM 281 O LEU A 20 11.536 1.341 -0.899 1.00 0.00 O ATOM 282 CB LEU A 20 13.469 -0.486 1.268 1.00 0.00 C ATOM 283 CG LEU A 20 13.776 0.224 2.588 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.608 1.746 2.493 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.991 -0.356 3.770 1.00 0.00 C ATOM 0 H LEU A 20 11.807 -2.327 1.200 1.00 0.00 H new ATOM 0 HA LEU A 20 11.539 0.447 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.657 -1.553 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.157 -0.125 0.503 1.00 0.00 H new ATOM 0 HG LEU A 20 14.831 0.032 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.838 2.198 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.286 2.140 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.580 1.982 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.249 0.187 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.922 -0.258 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.243 -1.409 3.892 1.00 0.00 H new ATOM 297 N GLU A 21 12.553 -0.554 -1.583 1.00 0.00 N ATOM 298 CA GLU A 21 12.727 -0.173 -2.978 1.00 0.00 C ATOM 299 C GLU A 21 11.386 0.165 -3.630 1.00 0.00 C ATOM 300 O GLU A 21 11.292 1.114 -4.403 1.00 0.00 O ATOM 301 CB GLU A 21 13.449 -1.310 -3.704 1.00 0.00 C ATOM 302 CG GLU A 21 13.857 -0.967 -5.141 1.00 0.00 C ATOM 303 CD GLU A 21 14.737 0.271 -5.250 1.00 0.00 C ATOM 304 OE1 GLU A 21 15.615 0.462 -4.373 1.00 0.00 O ATOM 305 OE2 GLU A 21 14.573 1.059 -6.201 1.00 0.00 O ATOM 0 H GLU A 21 12.880 -1.498 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 21 13.332 0.731 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.340 -1.581 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.802 -2.187 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.387 -1.817 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.958 -0.816 -5.738 1.00 0.00 H new ATOM 312 N LEU A 22 10.335 -0.569 -3.263 1.00 0.00 N ATOM 313 CA LEU A 22 8.964 -0.259 -3.629 1.00 0.00 C ATOM 314 C LEU A 22 8.594 1.158 -3.190 1.00 0.00 C ATOM 315 O LEU A 22 8.242 1.974 -4.036 1.00 0.00 O ATOM 316 CB LEU A 22 8.033 -1.321 -3.035 1.00 0.00 C ATOM 317 CG LEU A 22 6.545 -0.953 -3.096 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.078 -0.799 -4.541 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.750 -2.025 -2.354 1.00 0.00 C ATOM 0 H LEU A 22 10.421 -1.410 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 22 8.854 -0.283 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.186 -2.261 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.312 -1.493 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 22 6.381 0.011 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.020 -0.538 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.653 -0.011 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.227 -1.738 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.689 -1.779 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.913 -2.993 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.080 -2.069 -1.316 1.00 0.00 H new ATOM 331 N THR A 23 8.643 1.471 -1.889 1.00 0.00 N ATOM 332 CA THR A 23 8.261 2.809 -1.429 1.00 0.00 C ATOM 333 C THR A 23 9.127 3.878 -2.108 1.00 0.00 C ATOM 334 O THR A 23 8.631 4.948 -2.443 1.00 0.00 O ATOM 335 CB THR A 23 8.325 2.936 0.098 1.00 0.00 C ATOM 336 OG1 THR A 23 9.605 2.689 0.637 1.00 0.00 O ATOM 337 CG2 THR A 23 7.314 2.009 0.759 1.00 0.00 C ATOM 0 H THR A 23 8.937 0.831 -1.151 1.00 0.00 H new ATOM 0 HA THR A 23 7.222 2.969 -1.716 1.00 0.00 H new ATOM 0 HB THR A 23 8.083 3.977 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.151 2.213 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.377 2.115 1.842 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.309 2.270 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.531 0.977 0.483 1.00 0.00 H new ATOM 345 N ARG A 24 10.411 3.585 -2.316 1.00 0.00 N ATOM 346 CA ARG A 24 11.375 4.416 -3.049 1.00 0.00 C ATOM 347 C ARG A 24 10.870 4.761 -4.456 1.00 0.00 C ATOM 348 O ARG A 24 10.684 5.945 -4.746 1.00 0.00 O ATOM 349 CB ARG A 24 12.762 3.748 -3.054 1.00 0.00 C ATOM 350 CG ARG A 24 13.639 4.260 -1.897 1.00 0.00 C ATOM 351 CD ARG A 24 14.627 3.184 -1.447 1.00 0.00 C ATOM 352 NE ARG A 24 15.715 3.720 -0.603 1.00 0.00 N ATOM 353 CZ ARG A 24 16.950 4.045 -1.011 1.00 0.00 C ATOM 354 NH1 ARG A 24 17.305 3.935 -2.286 1.00 0.00 N ATOM 355 NH2 ARG A 24 17.825 4.513 -0.132 1.00 0.00 N ATOM 0 H ARG A 24 10.829 2.724 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 24 11.479 5.369 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.647 2.667 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.259 3.946 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.183 5.150 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.007 4.554 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.090 2.414 -0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.058 2.703 -2.325 1.00 0.00 H new ATOM 0 HE ARG A 24 15.506 3.856 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.633 3.598 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.250 4.188 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.556 4.623 0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.767 4.763 -0.433 1.00 0.00 H new ATOM 369 N GLN A 25 10.617 3.759 -5.302 1.00 0.00 N ATOM 370 CA GLN A 25 10.063 3.905 -6.650 1.00 0.00 C ATOM 371 C GLN A 25 8.753 4.693 -6.624 1.00 0.00 C ATOM 372 O GLN A 25 8.545 5.584 -7.446 1.00 0.00 O ATOM 373 CB GLN A 25 9.863 2.499 -7.238 1.00 0.00 C ATOM 374 CG GLN A 25 11.160 1.907 -7.817 1.00 0.00 C ATOM 375 CD GLN A 25 11.326 2.117 -9.329 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.580 2.819 -10.015 1.00 0.00 O ATOM 377 NE2 GLN A 25 12.327 1.485 -9.918 1.00 0.00 N ATOM 0 H GLN A 25 10.800 2.786 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 25 10.752 4.470 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.481 1.836 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.107 2.542 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.011 2.354 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.185 0.838 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.955 0.900 -9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.471 1.583 -10.923 1.00 0.00 H new ATOM 386 N VAL A 26 7.875 4.380 -5.674 1.00 0.00 N ATOM 387 CA VAL A 26 6.600 5.052 -5.476 1.00 0.00 C ATOM 388 C VAL A 26 6.833 6.548 -5.223 1.00 0.00 C ATOM 389 O VAL A 26 6.293 7.374 -5.958 1.00 0.00 O ATOM 390 CB VAL A 26 5.845 4.307 -4.356 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.636 5.061 -3.806 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.380 2.936 -4.871 1.00 0.00 C ATOM 0 H VAL A 26 8.039 3.630 -5.003 1.00 0.00 H new ATOM 0 HA VAL A 26 5.967 5.017 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 26 6.554 4.208 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.163 4.468 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.960 6.016 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.921 5.238 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.847 2.411 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.717 3.074 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.246 2.349 -5.176 1.00 0.00 H new ATOM 402 N LYS A 27 7.629 6.923 -4.211 1.00 0.00 N ATOM 403 CA LYS A 27 7.925 8.316 -3.889 1.00 0.00 C ATOM 404 C LYS A 27 8.513 9.047 -5.093 1.00 0.00 C ATOM 405 O LYS A 27 8.076 10.159 -5.373 1.00 0.00 O ATOM 406 CB LYS A 27 8.876 8.386 -2.688 1.00 0.00 C ATOM 407 CG LYS A 27 8.182 8.021 -1.365 1.00 0.00 C ATOM 408 CD LYS A 27 9.196 7.872 -0.224 1.00 0.00 C ATOM 409 CE LYS A 27 9.958 6.542 -0.286 1.00 0.00 C ATOM 410 NZ LYS A 27 10.807 6.331 0.902 1.00 0.00 N ATOM 0 H LYS A 27 8.087 6.256 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 27 6.992 8.815 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.715 7.710 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.288 9.392 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.455 8.792 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.630 7.089 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.907 8.697 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.677 7.945 0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.246 5.721 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.578 6.522 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.428 5.512 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.387 7.178 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.205 6.155 1.732 1.00 0.00 H new ATOM 424 N GLU A 28 9.450 8.431 -5.814 1.00 0.00 N ATOM 425 CA GLU A 28 10.041 9.006 -7.017 1.00 0.00 C ATOM 426 C GLU A 28 8.965 9.301 -8.063 1.00 0.00 C ATOM 427 O GLU A 28 8.872 10.431 -8.540 1.00 0.00 O ATOM 428 CB GLU A 28 11.114 8.053 -7.570 1.00 0.00 C ATOM 429 CG GLU A 28 12.503 8.377 -7.013 1.00 0.00 C ATOM 430 CD GLU A 28 13.110 9.640 -7.633 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.575 9.571 -8.796 1.00 0.00 O ATOM 432 OE2 GLU A 28 13.180 10.679 -6.937 1.00 0.00 O ATOM 0 H GLU A 28 9.821 7.511 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 28 10.516 9.954 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.852 7.025 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.134 8.120 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.436 8.504 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.168 7.533 -7.194 1.00 0.00 H new ATOM 439 N LYS A 29 8.134 8.319 -8.422 1.00 0.00 N ATOM 440 CA LYS A 29 7.136 8.498 -9.476 1.00 0.00 C ATOM 441 C LYS A 29 6.081 9.525 -9.064 1.00 0.00 C ATOM 442 O LYS A 29 5.682 10.355 -9.877 1.00 0.00 O ATOM 443 CB LYS A 29 6.550 7.137 -9.849 1.00 0.00 C ATOM 444 CG LYS A 29 5.726 7.195 -11.149 1.00 0.00 C ATOM 445 CD LYS A 29 5.500 5.781 -11.713 1.00 0.00 C ATOM 446 CE LYS A 29 6.119 5.589 -13.109 1.00 0.00 C ATOM 447 NZ LYS A 29 6.439 4.171 -13.391 1.00 0.00 N ATOM 0 H LYS A 29 8.134 7.392 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 29 7.605 8.907 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.358 6.415 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.918 6.780 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.765 7.673 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.244 7.808 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.927 5.049 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.429 5.582 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.427 5.960 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.027 6.187 -13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.627 4.053 -14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.281 3.891 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.634 3.572 -13.116 1.00 0.00 H new ATOM 461 N LEU A 30 5.679 9.528 -7.791 1.00 0.00 N ATOM 462 CA LEU A 30 4.796 10.542 -7.220 1.00 0.00 C ATOM 463 C LEU A 30 5.412 11.924 -7.385 1.00 0.00 C ATOM 464 O LEU A 30 4.747 12.835 -7.877 1.00 0.00 O ATOM 465 CB LEU A 30 4.561 10.278 -5.727 1.00 0.00 C ATOM 466 CG LEU A 30 3.598 9.115 -5.460 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.754 8.667 -4.012 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.150 9.555 -5.673 1.00 0.00 C ATOM 0 H LEU A 30 5.963 8.815 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 30 3.843 10.495 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.517 10.066 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.165 11.182 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 30 3.832 8.302 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.073 7.840 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.780 8.342 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.521 9.498 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.482 8.716 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.914 10.372 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.020 9.892 -6.701 1.00 0.00 H new ATOM 480 N ALA A 31 6.675 12.083 -6.980 1.00 0.00 N ATOM 481 CA ALA A 31 7.415 13.325 -7.110 1.00 0.00 C ATOM 482 C ALA A 31 7.606 13.710 -8.578 1.00 0.00 C ATOM 483 O ALA A 31 7.733 14.903 -8.854 1.00 0.00 O ATOM 484 CB ALA A 31 8.764 13.204 -6.391 1.00 0.00 C ATOM 0 H ALA A 31 7.215 11.334 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 31 6.837 14.122 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.315 14.139 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.596 12.994 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.341 12.393 -6.835 1.00 0.00 H new ATOM 490 N LYS A 32 7.604 12.753 -9.515 1.00 0.00 N ATOM 491 CA LYS A 32 7.705 13.022 -10.950 1.00 0.00 C ATOM 492 C LYS A 32 6.425 13.634 -11.520 1.00 0.00 C ATOM 493 O LYS A 32 6.443 14.189 -12.613 1.00 0.00 O ATOM 494 CB LYS A 32 8.025 11.734 -11.733 1.00 0.00 C ATOM 495 CG LYS A 32 8.903 12.091 -12.942 1.00 0.00 C ATOM 496 CD LYS A 32 8.867 11.052 -14.072 1.00 0.00 C ATOM 497 CE LYS A 32 8.368 11.756 -15.340 1.00 0.00 C ATOM 498 NZ LYS A 32 8.089 10.826 -16.450 1.00 0.00 N ATOM 0 H LYS A 32 7.531 11.760 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 32 8.516 13.741 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.541 11.021 -11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.103 11.256 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.582 13.054 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.933 12.211 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.859 10.630 -14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.207 10.225 -13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.461 12.313 -15.105 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.114 12.482 -15.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.756 11.362 -17.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.958 10.311 -16.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.356 10.148 -16.159 1.00 0.00 H new ATOM 512 N ASN A 33 5.308 13.487 -10.811 1.00 0.00 N ATOM 513 CA ASN A 33 3.985 13.931 -11.223 1.00 0.00 C ATOM 514 C ASN A 33 3.397 14.954 -10.247 1.00 0.00 C ATOM 515 O ASN A 33 2.240 15.343 -10.403 1.00 0.00 O ATOM 516 CB ASN A 33 3.065 12.707 -11.408 1.00 0.00 C ATOM 517 CG ASN A 33 3.319 11.980 -12.715 1.00 0.00 C ATOM 518 OD1 ASN A 33 3.697 10.810 -12.747 1.00 0.00 O ATOM 519 ND2 ASN A 33 3.120 12.668 -13.824 1.00 0.00 N ATOM 0 H ASN A 33 5.303 13.036 -9.896 1.00 0.00 H new ATOM 0 HA ASN A 33 4.070 14.446 -12.180 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.213 12.017 -10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.025 13.030 -11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.280 12.230 -14.731 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.806 13.637 -13.774 1.00 0.00 H new ATOM 526 N GLY A 34 4.146 15.403 -9.235 1.00 0.00 N ATOM 527 CA GLY A 34 3.670 16.395 -8.277 1.00 0.00 C ATOM 528 C GLY A 34 2.438 15.904 -7.511 1.00 0.00 C ATOM 529 O GLY A 34 1.523 16.688 -7.226 1.00 0.00 O ATOM 0 H GLY A 34 5.100 15.086 -9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.467 16.629 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.427 17.319 -8.802 1.00 0.00 H new ATOM 533 N ILE A 35 2.370 14.604 -7.220 1.00 0.00 N ATOM 534 CA ILE A 35 1.227 13.958 -6.588 1.00 0.00 C ATOM 535 C ILE A 35 1.455 13.997 -5.073 1.00 0.00 C ATOM 536 O ILE A 35 2.444 13.463 -4.571 1.00 0.00 O ATOM 537 CB ILE A 35 1.014 12.548 -7.181 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.687 12.666 -8.687 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.142 11.816 -6.481 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.507 11.326 -9.403 1.00 0.00 C ATOM 0 H ILE A 35 3.131 13.957 -7.425 1.00 0.00 H new ATOM 0 HA ILE A 35 0.292 14.480 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 35 1.931 11.978 -7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.225 13.251 -8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.487 13.221 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.266 10.827 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.081 11.715 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.062 12.387 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.280 11.503 -10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.425 10.744 -9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.313 10.775 -8.943 1.00 0.00 H new ATOM 552 N CYS A 36 0.533 14.629 -4.339 1.00 0.00 N ATOM 553 CA CYS A 36 0.558 14.700 -2.880 1.00 0.00 C ATOM 554 C CYS A 36 0.490 13.281 -2.303 1.00 0.00 C ATOM 555 O CYS A 36 -0.488 12.572 -2.568 1.00 0.00 O ATOM 556 CB CYS A 36 -0.668 15.488 -2.388 1.00 0.00 C ATOM 557 SG CYS A 36 -0.316 17.242 -2.105 1.00 0.00 S ATOM 0 H CYS A 36 -0.264 15.113 -4.752 1.00 0.00 H new ATOM 0 HA CYS A 36 1.475 15.193 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.469 15.398 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.032 15.042 -1.462 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.212 17.967 -2.707 1.00 0.00 H new ATOM 563 N GLN A 37 1.481 12.893 -1.491 1.00 0.00 N ATOM 564 CA GLN A 37 1.556 11.561 -0.892 1.00 0.00 C ATOM 565 C GLN A 37 0.314 11.266 -0.049 1.00 0.00 C ATOM 566 O GLN A 37 -0.307 10.220 -0.213 1.00 0.00 O ATOM 567 CB GLN A 37 2.830 11.400 -0.038 1.00 0.00 C ATOM 568 CG GLN A 37 4.095 11.242 -0.894 1.00 0.00 C ATOM 569 CD GLN A 37 5.367 11.115 -0.057 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.398 10.493 1.007 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.461 11.667 -0.540 1.00 0.00 N ATOM 0 H GLN A 37 2.257 13.501 -1.231 1.00 0.00 H new ATOM 0 HA GLN A 37 1.600 10.840 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.941 12.269 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.722 10.530 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.992 10.360 -1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.188 12.101 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.427 12.180 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.342 11.581 -0.033 1.00 0.00 H new ATOM 580 N ARG A 38 -0.090 12.218 0.801 1.00 0.00 N ATOM 581 CA ARG A 38 -1.307 12.137 1.616 1.00 0.00 C ATOM 582 C ARG A 38 -2.499 11.586 0.831 1.00 0.00 C ATOM 583 O ARG A 38 -3.131 10.621 1.236 1.00 0.00 O ATOM 584 CB ARG A 38 -1.651 13.512 2.232 1.00 0.00 C ATOM 585 CG ARG A 38 -1.457 14.727 1.318 1.00 0.00 C ATOM 586 CD ARG A 38 -2.176 15.968 1.845 1.00 0.00 C ATOM 587 NE ARG A 38 -2.190 17.009 0.802 1.00 0.00 N ATOM 588 CZ ARG A 38 -3.181 17.869 0.542 1.00 0.00 C ATOM 589 NH1 ARG A 38 -4.307 17.854 1.249 1.00 0.00 N ATOM 590 NH2 ARG A 38 -3.045 18.716 -0.469 1.00 0.00 N ATOM 0 H ARG A 38 0.431 13.083 0.944 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.100 11.433 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.691 13.491 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.039 13.652 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.392 14.940 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.827 14.491 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.196 15.715 2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.674 16.340 2.738 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.357 17.081 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.426 17.179 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.052 18.518 1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.195 18.704 -1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.790 19.379 -0.683 1.00 0.00 H new ATOM 604 N ILE A 39 -2.815 12.227 -0.287 1.00 0.00 N ATOM 605 CA ILE A 39 -4.026 11.968 -1.040 1.00 0.00 C ATOM 606 C ILE A 39 -3.856 10.690 -1.852 1.00 0.00 C ATOM 607 O ILE A 39 -4.830 9.973 -2.033 1.00 0.00 O ATOM 608 CB ILE A 39 -4.327 13.203 -1.906 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.768 14.375 -1.006 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.381 12.891 -2.988 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.599 15.698 -1.752 1.00 0.00 C ATOM 0 H ILE A 39 -2.226 12.951 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.881 11.805 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.416 13.492 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.809 14.245 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.175 14.385 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.569 13.786 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.012 12.097 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.307 12.570 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.913 16.521 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.552 15.830 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.211 15.688 -2.654 1.00 0.00 H new ATOM 623 N PHE A 40 -2.648 10.400 -2.345 1.00 0.00 N ATOM 624 CA PHE A 40 -2.393 9.088 -2.946 1.00 0.00 C ATOM 625 C PHE A 40 -2.786 7.992 -1.961 1.00 0.00 C ATOM 626 O PHE A 40 -3.528 7.084 -2.311 1.00 0.00 O ATOM 627 CB PHE A 40 -0.927 8.908 -3.352 1.00 0.00 C ATOM 628 CG PHE A 40 -0.555 7.462 -3.655 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.903 6.858 -4.879 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.082 6.688 -2.665 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.615 5.495 -5.098 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.426 5.351 -2.912 1.00 0.00 C ATOM 633 CZ PHE A 40 0.056 4.738 -4.117 1.00 0.00 C ATOM 0 H PHE A 40 -1.851 11.037 -2.341 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.995 9.020 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.724 9.519 -4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.288 9.279 -2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.390 7.438 -5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.308 7.129 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.911 5.027 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.978 4.792 -2.171 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.283 3.697 -4.292 1.00 0.00 H new ATOM 643 N GLY A 41 -2.279 8.077 -0.736 1.00 0.00 N ATOM 644 CA GLY A 41 -2.566 7.104 0.300 1.00 0.00 C ATOM 645 C GLY A 41 -4.062 6.947 0.534 1.00 0.00 C ATOM 646 O GLY A 41 -4.578 5.835 0.442 1.00 0.00 O ATOM 0 H GLY A 41 -1.656 8.827 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.139 6.141 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.084 7.410 1.228 1.00 0.00 H new ATOM 650 N GLU A 42 -4.753 8.057 0.778 1.00 0.00 N ATOM 651 CA GLU A 42 -6.192 8.113 0.973 1.00 0.00 C ATOM 652 C GLU A 42 -6.930 7.440 -0.192 1.00 0.00 C ATOM 653 O GLU A 42 -7.652 6.462 0.004 1.00 0.00 O ATOM 654 CB GLU A 42 -6.586 9.588 1.120 1.00 0.00 C ATOM 655 CG GLU A 42 -6.106 10.255 2.421 1.00 0.00 C ATOM 656 CD GLU A 42 -7.259 10.566 3.373 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.040 11.510 3.079 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.362 9.948 4.452 1.00 0.00 O ATOM 0 H GLU A 42 -4.308 8.972 0.847 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.477 7.567 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.184 10.144 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.672 9.667 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.392 9.600 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.578 11.178 2.180 1.00 0.00 H new ATOM 665 N LYS A 43 -6.740 7.960 -1.407 1.00 0.00 N ATOM 666 CA LYS A 43 -7.533 7.603 -2.579 1.00 0.00 C ATOM 667 C LYS A 43 -7.175 6.217 -3.106 1.00 0.00 C ATOM 668 O LYS A 43 -8.071 5.474 -3.502 1.00 0.00 O ATOM 669 CB LYS A 43 -7.319 8.655 -3.688 1.00 0.00 C ATOM 670 CG LYS A 43 -7.745 10.090 -3.313 1.00 0.00 C ATOM 671 CD LYS A 43 -9.258 10.306 -3.230 1.00 0.00 C ATOM 672 CE LYS A 43 -9.886 10.309 -4.627 1.00 0.00 C ATOM 673 NZ LYS A 43 -11.361 10.349 -4.558 1.00 0.00 N ATOM 0 H LYS A 43 -6.018 8.653 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.581 7.583 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.264 8.664 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.875 8.346 -4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.302 10.347 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.333 10.781 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.709 9.519 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.468 11.252 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.524 11.170 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.570 9.419 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.754 10.350 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.707 9.514 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.662 11.211 -4.061 1.00 0.00 H new ATOM 687 N VAL A 44 -5.883 5.893 -3.190 1.00 0.00 N ATOM 688 CA VAL A 44 -5.386 4.758 -3.963 1.00 0.00 C ATOM 689 C VAL A 44 -5.067 3.561 -3.070 1.00 0.00 C ATOM 690 O VAL A 44 -5.141 2.421 -3.541 1.00 0.00 O ATOM 691 CB VAL A 44 -4.169 5.164 -4.827 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.740 4.037 -5.783 1.00 0.00 C ATOM 693 CG2 VAL A 44 -4.465 6.417 -5.668 1.00 0.00 C ATOM 0 H VAL A 44 -5.147 6.418 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.183 4.447 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.362 5.371 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.882 4.365 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.468 3.154 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.566 3.793 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.587 6.672 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.307 6.219 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.711 7.249 -5.008 1.00 0.00 H new ATOM 703 N LEU A 45 -4.703 3.801 -1.805 1.00 0.00 N ATOM 704 CA LEU A 45 -4.383 2.736 -0.859 1.00 0.00 C ATOM 705 C LEU A 45 -5.510 2.558 0.162 1.00 0.00 C ATOM 706 O LEU A 45 -5.550 1.532 0.837 1.00 0.00 O ATOM 707 CB LEU A 45 -3.039 3.002 -0.145 1.00 0.00 C ATOM 708 CG LEU A 45 -1.833 3.239 -1.078 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.567 3.507 -0.255 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.542 2.022 -1.939 1.00 0.00 C ATOM 0 H LEU A 45 -4.623 4.739 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.282 1.810 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.155 3.873 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.816 2.154 0.502 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.091 4.092 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.275 3.672 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.716 4.391 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.359 2.648 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.686 2.228 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.318 1.169 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.413 1.795 -2.555 1.00 0.00 H new ATOM 722 N GLY A 46 -6.414 3.534 0.296 1.00 0.00 N ATOM 723 CA GLY A 46 -7.488 3.546 1.276 1.00 0.00 C ATOM 724 C GLY A 46 -7.021 3.964 2.673 1.00 0.00 C ATOM 725 O GLY A 46 -7.853 4.059 3.582 1.00 0.00 O ATOM 0 H GLY A 46 -6.412 4.363 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.270 4.228 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.934 2.553 1.330 1.00 0.00 H new ATOM 729 N LEU A 47 -5.725 4.213 2.873 1.00 0.00 N ATOM 730 CA LEU A 47 -5.127 4.367 4.196 1.00 0.00 C ATOM 731 C LEU A 47 -5.271 5.801 4.703 1.00 0.00 C ATOM 732 O LEU A 47 -5.369 6.734 3.907 1.00 0.00 O ATOM 733 CB LEU A 47 -3.643 3.975 4.126 1.00 0.00 C ATOM 734 CG LEU A 47 -3.396 2.482 3.826 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.890 2.260 3.675 1.00 0.00 C ATOM 736 CD2 LEU A 47 -3.926 1.565 4.934 1.00 0.00 C ATOM 0 H LEU A 47 -5.055 4.314 2.110 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.649 3.714 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.157 4.574 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.167 4.227 5.074 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.931 2.231 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.697 1.209 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.512 2.871 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.386 2.542 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.726 0.526 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.429 1.805 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.000 1.711 5.045 1.00 0.00 H new ATOM 748 N SER A 48 -5.211 5.985 6.026 1.00 0.00 N ATOM 749 CA SER A 48 -5.213 7.304 6.640 1.00 0.00 C ATOM 750 C SER A 48 -3.856 7.984 6.417 1.00 0.00 C ATOM 751 O SER A 48 -2.867 7.359 6.007 1.00 0.00 O ATOM 752 CB SER A 48 -5.542 7.176 8.132 1.00 0.00 C ATOM 753 OG SER A 48 -6.004 8.402 8.678 1.00 0.00 O ATOM 0 H SER A 48 -5.160 5.218 6.697 1.00 0.00 H new ATOM 0 HA SER A 48 -5.978 7.927 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.302 6.407 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.654 6.849 8.673 1.00 0.00 H new ATOM 0 HG SER A 48 -6.205 8.281 9.629 1.00 0.00 H new ATOM 759 N GLN A 49 -3.819 9.293 6.656 1.00 0.00 N ATOM 760 CA GLN A 49 -2.707 10.144 6.260 1.00 0.00 C ATOM 761 C GLN A 49 -1.452 9.917 7.108 1.00 0.00 C ATOM 762 O GLN A 49 -0.342 10.167 6.627 1.00 0.00 O ATOM 763 CB GLN A 49 -3.121 11.620 6.333 1.00 0.00 C ATOM 764 CG GLN A 49 -2.331 12.421 5.296 1.00 0.00 C ATOM 765 CD GLN A 49 -2.380 13.925 5.535 1.00 0.00 C ATOM 766 OE1 GLN A 49 -3.400 14.566 5.311 1.00 0.00 O ATOM 767 NE2 GLN A 49 -1.292 14.532 5.976 1.00 0.00 N ATOM 0 H GLN A 49 -4.568 9.794 7.134 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.455 9.875 5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.191 11.719 6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.933 12.013 7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.292 12.092 5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.724 12.204 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.446 13.992 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.298 15.540 6.132 1.00 0.00 H new ATOM 776 N GLY A 50 -1.601 9.465 8.354 1.00 0.00 N ATOM 777 CA GLY A 50 -0.480 9.128 9.214 1.00 0.00 C ATOM 778 C GLY A 50 0.075 7.785 8.768 1.00 0.00 C ATOM 779 O GLY A 50 1.271 7.681 8.511 1.00 0.00 O ATOM 0 H GLY A 50 -2.511 9.324 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.290 9.897 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.800 9.080 10.255 1.00 0.00 H new ATOM 783 N SER A 51 -0.802 6.785 8.610 1.00 0.00 N ATOM 784 CA SER A 51 -0.484 5.423 8.194 1.00 0.00 C ATOM 785 C SER A 51 0.492 5.418 7.021 1.00 0.00 C ATOM 786 O SER A 51 1.590 4.887 7.148 1.00 0.00 O ATOM 787 CB SER A 51 -1.771 4.669 7.826 1.00 0.00 C ATOM 788 OG SER A 51 -2.836 4.982 8.696 1.00 0.00 O ATOM 0 H SER A 51 -1.799 6.916 8.778 1.00 0.00 H new ATOM 0 HA SER A 51 -0.003 4.915 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.055 4.915 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.583 3.596 7.855 1.00 0.00 H new ATOM 0 HG SER A 51 -3.636 4.483 8.427 1.00 0.00 H new ATOM 794 N VAL A 52 0.097 5.986 5.879 1.00 0.00 N ATOM 795 CA VAL A 52 0.885 5.953 4.658 1.00 0.00 C ATOM 796 C VAL A 52 2.202 6.717 4.809 1.00 0.00 C ATOM 797 O VAL A 52 3.182 6.352 4.165 1.00 0.00 O ATOM 798 CB VAL A 52 -0.007 6.464 3.506 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.323 7.878 2.995 1.00 0.00 C ATOM 800 CG2 VAL A 52 0.005 5.433 2.379 1.00 0.00 C ATOM 0 H VAL A 52 -0.787 6.485 5.782 1.00 0.00 H new ATOM 0 HA VAL A 52 1.195 4.934 4.428 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.012 6.574 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.360 8.142 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.215 8.594 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.348 7.901 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.622 5.783 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.026 5.296 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.380 4.483 2.750 1.00 0.00 H new ATOM 810 N SER A 53 2.247 7.756 5.646 1.00 0.00 N ATOM 811 CA SER A 53 3.464 8.509 5.880 1.00 0.00 C ATOM 812 C SER A 53 4.448 7.617 6.628 1.00 0.00 C ATOM 813 O SER A 53 5.576 7.443 6.176 1.00 0.00 O ATOM 814 CB SER A 53 3.132 9.781 6.661 1.00 0.00 C ATOM 815 OG SER A 53 4.010 10.836 6.306 1.00 0.00 O ATOM 0 H SER A 53 1.441 8.091 6.174 1.00 0.00 H new ATOM 0 HA SER A 53 3.924 8.814 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.102 10.077 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.206 9.585 7.731 1.00 0.00 H new ATOM 0 HG SER A 53 3.778 11.640 6.816 1.00 0.00 H new ATOM 821 N ASP A 54 4.003 7.014 7.734 1.00 0.00 N ATOM 822 CA ASP A 54 4.790 6.075 8.530 1.00 0.00 C ATOM 823 C ASP A 54 5.302 4.937 7.642 1.00 0.00 C ATOM 824 O ASP A 54 6.463 4.544 7.743 1.00 0.00 O ATOM 825 CB ASP A 54 3.910 5.563 9.685 1.00 0.00 C ATOM 826 CG ASP A 54 4.662 4.791 10.769 1.00 0.00 C ATOM 827 OD1 ASP A 54 5.902 4.633 10.710 1.00 0.00 O ATOM 828 OD2 ASP A 54 4.016 4.423 11.784 1.00 0.00 O ATOM 0 H ASP A 54 3.066 7.170 8.106 1.00 0.00 H new ATOM 0 HA ASP A 54 5.667 6.564 8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.409 6.414 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.132 4.920 9.273 1.00 0.00 H new ATOM 833 N MET A 55 4.467 4.488 6.703 1.00 0.00 N ATOM 834 CA MET A 55 4.765 3.510 5.675 1.00 0.00 C ATOM 835 C MET A 55 5.913 3.930 4.765 1.00 0.00 C ATOM 836 O MET A 55 6.950 3.275 4.754 1.00 0.00 O ATOM 837 CB MET A 55 3.495 3.270 4.840 1.00 0.00 C ATOM 838 CG MET A 55 3.103 1.817 4.873 1.00 0.00 C ATOM 839 SD MET A 55 2.346 1.242 6.414 1.00 0.00 S ATOM 840 CE MET A 55 0.691 1.942 6.173 1.00 0.00 C ATOM 0 H MET A 55 3.506 4.824 6.643 1.00 0.00 H new ATOM 0 HA MET A 55 5.085 2.594 6.172 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.679 3.881 5.226 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.667 3.582 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.407 1.629 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.991 1.216 4.680 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.367 2.435 7.090 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.718 2.668 5.361 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.009 1.144 5.923 1.00 0.00 H new ATOM 850 N LEU A 56 5.706 4.963 3.944 1.00 0.00 N ATOM 851 CA LEU A 56 6.680 5.399 2.952 1.00 0.00 C ATOM 852 C LEU A 56 7.959 5.919 3.608 1.00 0.00 C ATOM 853 O LEU A 56 9.023 5.838 2.998 1.00 0.00 O ATOM 854 CB LEU A 56 6.068 6.483 2.051 1.00 0.00 C ATOM 855 CG LEU A 56 4.835 6.036 1.250 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.274 7.190 0.425 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.121 4.863 0.312 1.00 0.00 C ATOM 0 H LEU A 56 4.852 5.520 3.953 1.00 0.00 H new ATOM 0 HA LEU A 56 6.947 4.534 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.792 7.336 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.831 6.829 1.354 1.00 0.00 H new ATOM 0 HG LEU A 56 4.107 5.708 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.402 6.848 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.984 8.004 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.035 7.543 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.211 4.596 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.893 5.149 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.464 4.007 0.894 1.00 0.00 H new ATOM 869 N SER A 57 7.873 6.445 4.829 1.00 0.00 N ATOM 870 CA SER A 57 9.018 6.904 5.584 1.00 0.00 C ATOM 871 C SER A 57 9.780 5.708 6.166 1.00 0.00 C ATOM 872 O SER A 57 10.997 5.635 5.996 1.00 0.00 O ATOM 873 CB SER A 57 8.555 7.888 6.668 1.00 0.00 C ATOM 874 OG SER A 57 9.615 8.732 7.070 1.00 0.00 O ATOM 0 H SER A 57 6.988 6.562 5.322 1.00 0.00 H new ATOM 0 HA SER A 57 9.710 7.434 4.930 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.729 8.490 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.178 7.336 7.529 1.00 0.00 H new ATOM 0 HG SER A 57 9.297 9.351 7.760 1.00 0.00 H new ATOM 880 N ARG A 58 9.122 4.771 6.856 1.00 0.00 N ATOM 881 CA ARG A 58 9.777 3.653 7.541 1.00 0.00 C ATOM 882 C ARG A 58 8.979 2.373 7.275 1.00 0.00 C ATOM 883 O ARG A 58 8.228 1.927 8.151 1.00 0.00 O ATOM 884 CB ARG A 58 9.946 3.966 9.042 1.00 0.00 C ATOM 885 CG ARG A 58 10.780 5.236 9.270 1.00 0.00 C ATOM 886 CD ARG A 58 11.225 5.415 10.725 1.00 0.00 C ATOM 887 NE ARG A 58 12.206 6.508 10.823 1.00 0.00 N ATOM 888 CZ ARG A 58 13.095 6.702 11.803 1.00 0.00 C ATOM 889 NH1 ARG A 58 13.048 6.019 12.944 1.00 0.00 N ATOM 890 NH2 ARG A 58 14.046 7.600 11.607 1.00 0.00 N ATOM 0 H ARG A 58 8.107 4.768 6.955 1.00 0.00 H new ATOM 0 HA ARG A 58 10.784 3.501 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.965 4.089 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.426 3.122 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.661 5.204 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.196 6.105 8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.362 5.633 11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.663 4.488 11.096 1.00 0.00 H new ATOM 0 HE ARG A 58 12.208 7.189 10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.318 5.322 13.092 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.742 6.192 13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.085 8.119 10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.741 7.774 12.333 1.00 0.00 H new ATOM 904 N PRO A 59 9.123 1.770 6.077 1.00 0.00 N ATOM 905 CA PRO A 59 8.382 0.565 5.725 1.00 0.00 C ATOM 906 C PRO A 59 8.776 -0.615 6.625 1.00 0.00 C ATOM 907 O PRO A 59 9.823 -0.606 7.284 1.00 0.00 O ATOM 908 CB PRO A 59 8.658 0.281 4.238 1.00 0.00 C ATOM 909 CG PRO A 59 9.516 1.446 3.745 1.00 0.00 C ATOM 910 CD PRO A 59 9.967 2.217 4.976 1.00 0.00 C ATOM 0 HA PRO A 59 7.313 0.708 5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.178 -0.669 4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.728 0.214 3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.375 1.081 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.945 2.089 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.018 2.025 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.865 3.291 4.820 1.00 0.00 H new ATOM 918 N LYS A 60 7.940 -1.659 6.611 1.00 0.00 N ATOM 919 CA LYS A 60 8.209 -2.933 7.275 1.00 0.00 C ATOM 920 C LYS A 60 8.618 -3.962 6.223 1.00 0.00 C ATOM 921 O LYS A 60 8.142 -3.857 5.085 1.00 0.00 O ATOM 922 CB LYS A 60 6.941 -3.438 7.977 1.00 0.00 C ATOM 923 CG LYS A 60 6.632 -2.685 9.275 1.00 0.00 C ATOM 924 CD LYS A 60 7.368 -3.297 10.474 1.00 0.00 C ATOM 925 CE LYS A 60 7.051 -2.448 11.701 1.00 0.00 C ATOM 926 NZ LYS A 60 7.382 -3.111 12.974 1.00 0.00 N ATOM 0 H LYS A 60 7.042 -1.639 6.128 1.00 0.00 H new ATOM 0 HA LYS A 60 9.003 -2.793 8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.094 -3.342 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.053 -4.499 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.919 -1.639 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.558 -2.703 9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.051 -4.328 10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.442 -3.318 10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.601 -1.509 11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.990 -2.197 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.142 -2.481 13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.839 -3.994 13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.399 -3.327 12.999 1.00 0.00 H new ATOM 940 N PRO A 61 9.414 -4.978 6.596 1.00 0.00 N ATOM 941 CA PRO A 61 9.797 -6.039 5.684 1.00 0.00 C ATOM 942 C PRO A 61 8.565 -6.837 5.249 1.00 0.00 C ATOM 943 O PRO A 61 7.644 -7.049 6.041 1.00 0.00 O ATOM 944 CB PRO A 61 10.818 -6.904 6.433 1.00 0.00 C ATOM 945 CG PRO A 61 10.776 -6.461 7.893 1.00 0.00 C ATOM 946 CD PRO A 61 10.022 -5.136 7.906 1.00 0.00 C ATOM 0 HA PRO A 61 10.240 -5.650 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.571 -7.962 6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.817 -6.773 6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.272 -7.203 8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.782 -6.342 8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.261 -5.133 8.687 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.700 -4.309 8.118 1.00 0.00 H new ATOM 954 N TRP A 62 8.573 -7.359 4.022 1.00 0.00 N ATOM 955 CA TRP A 62 7.552 -8.261 3.497 1.00 0.00 C ATOM 956 C TRP A 62 7.329 -9.459 4.420 1.00 0.00 C ATOM 957 O TRP A 62 6.198 -9.911 4.587 1.00 0.00 O ATOM 958 CB TRP A 62 7.956 -8.748 2.102 1.00 0.00 C ATOM 959 CG TRP A 62 6.828 -9.326 1.318 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.579 -10.640 1.133 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.768 -8.618 0.616 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.504 -10.789 0.283 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.980 -9.571 -0.082 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.391 -7.265 0.499 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.915 -9.190 -0.902 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.313 -6.870 -0.314 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.588 -7.836 -1.028 1.00 0.00 C ATOM 0 H TRP A 62 9.312 -7.159 3.348 1.00 0.00 H new ATOM 0 HA TRP A 62 6.616 -7.707 3.437 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.383 -7.914 1.546 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.739 -9.499 2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.136 -11.449 1.582 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.143 -11.688 -0.035 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.942 -6.514 1.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.347 -9.937 -1.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.044 -5.827 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.778 -7.534 -1.675 1.00 0.00 H new ATOM 978 N SER A 63 8.395 -9.932 5.064 1.00 0.00 N ATOM 979 CA SER A 63 8.358 -10.974 6.076 1.00 0.00 C ATOM 980 C SER A 63 7.420 -10.596 7.241 1.00 0.00 C ATOM 981 O SER A 63 6.608 -11.414 7.677 1.00 0.00 O ATOM 982 CB SER A 63 9.791 -11.208 6.570 1.00 0.00 C ATOM 983 OG SER A 63 10.686 -11.475 5.498 1.00 0.00 O ATOM 0 H SER A 63 9.338 -9.585 4.886 1.00 0.00 H new ATOM 0 HA SER A 63 7.959 -11.892 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.133 -10.330 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.802 -12.045 7.269 1.00 0.00 H new ATOM 0 HG SER A 63 11.588 -11.617 5.853 1.00 0.00 H new ATOM 989 N LYS A 64 7.500 -9.354 7.739 1.00 0.00 N ATOM 990 CA LYS A 64 6.695 -8.857 8.860 1.00 0.00 C ATOM 991 C LYS A 64 5.266 -8.516 8.448 1.00 0.00 C ATOM 992 O LYS A 64 4.380 -8.493 9.310 1.00 0.00 O ATOM 993 CB LYS A 64 7.362 -7.599 9.456 1.00 0.00 C ATOM 994 CG LYS A 64 8.309 -7.928 10.619 1.00 0.00 C ATOM 995 CD LYS A 64 7.487 -8.162 11.903 1.00 0.00 C ATOM 996 CE LYS A 64 8.296 -8.678 13.098 1.00 0.00 C ATOM 997 NZ LYS A 64 9.388 -7.767 13.496 1.00 0.00 N ATOM 0 H LYS A 64 8.140 -8.653 7.365 1.00 0.00 H new ATOM 0 HA LYS A 64 6.644 -9.656 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.919 -7.082 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.590 -6.913 9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.896 -8.816 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.014 -7.111 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.005 -7.226 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.693 -8.876 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.627 -8.825 13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.716 -9.653 12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.898 -8.170 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.046 -7.645 12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.990 -6.843 13.761 1.00 0.00 H new ATOM 1011 N LEU A 65 5.021 -8.190 7.181 1.00 0.00 N ATOM 1012 CA LEU A 65 3.675 -7.938 6.683 1.00 0.00 C ATOM 1013 C LEU A 65 3.024 -9.297 6.449 1.00 0.00 C ATOM 1014 O LEU A 65 3.611 -10.157 5.794 1.00 0.00 O ATOM 1015 CB LEU A 65 3.723 -7.139 5.371 1.00 0.00 C ATOM 1016 CG LEU A 65 4.297 -5.717 5.509 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.703 -5.206 4.126 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.269 -4.760 6.122 1.00 0.00 C ATOM 0 H LEU A 65 5.750 -8.094 6.474 1.00 0.00 H new ATOM 0 HA LEU A 65 3.104 -7.350 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.323 -7.690 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.714 -7.072 4.964 1.00 0.00 H new ATOM 0 HG LEU A 65 5.163 -5.756 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.111 -4.199 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.459 -5.867 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.830 -5.187 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.704 -3.764 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.386 -4.717 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.985 -5.117 7.112 1.00 0.00 H new ATOM 1030 N THR A 66 1.816 -9.517 6.954 1.00 0.00 N ATOM 1031 CA THR A 66 1.012 -10.667 6.547 1.00 0.00 C ATOM 1032 C THR A 66 0.194 -10.303 5.308 1.00 0.00 C ATOM 1033 O THR A 66 0.273 -9.161 4.855 1.00 0.00 O ATOM 1034 CB THR A 66 0.137 -11.108 7.721 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.592 -10.027 8.269 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.000 -11.713 8.819 1.00 0.00 C ATOM 0 H THR A 66 1.370 -8.915 7.646 1.00 0.00 H new ATOM 0 HA THR A 66 1.649 -11.510 6.277 1.00 0.00 H new ATOM 0 HB THR A 66 -0.566 -11.847 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.141 -10.347 9.015 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.367 -12.024 9.650 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.534 -12.578 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.718 -10.971 9.168 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.616 -11.227 4.778 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.512 -10.968 3.650 1.00 0.00 C ATOM 1046 C GLN A 67 -2.299 -9.672 3.872 1.00 0.00 C ATOM 1047 O GLN A 67 -2.229 -8.785 3.026 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.433 -12.183 3.412 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.392 -12.662 1.952 1.00 0.00 C ATOM 1050 CD GLN A 67 -3.054 -14.027 1.773 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -3.982 -14.197 0.984 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -2.586 -15.044 2.480 1.00 0.00 N ATOM 0 H GLN A 67 -0.667 -12.185 5.125 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.920 -10.827 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.133 -12.999 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.457 -11.919 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.893 -11.931 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.356 -12.716 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.816 -14.899 3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.995 -15.972 2.371 1.00 0.00 H new ATOM 1061 N LYS A 68 -2.920 -9.517 5.053 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.652 -8.308 5.445 1.00 0.00 C ATOM 1063 C LYS A 68 -2.802 -7.057 5.224 1.00 0.00 C ATOM 1064 O LYS A 68 -3.216 -6.123 4.544 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.091 -8.441 6.917 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.065 -7.339 7.377 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.530 -7.661 7.059 1.00 0.00 C ATOM 1068 CE LYS A 68 -7.077 -8.727 8.017 1.00 0.00 C ATOM 1069 NZ LYS A 68 -8.483 -9.061 7.724 1.00 0.00 N ATOM 0 H LYS A 68 -2.926 -10.241 5.771 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.539 -8.202 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.563 -9.413 7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.206 -8.420 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.956 -7.192 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.793 -6.399 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.131 -6.755 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.614 -8.013 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.467 -9.628 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.995 -8.369 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.815 -9.785 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.070 -8.207 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.558 -9.427 6.753 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.591 -7.046 5.783 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.717 -5.891 5.710 1.00 0.00 C ATOM 1085 C GLY A 69 -0.171 -5.637 4.308 1.00 0.00 C ATOM 1086 O GLY A 69 0.201 -4.509 4.001 1.00 0.00 O ATOM 0 H GLY A 69 -1.197 -7.836 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.263 -5.009 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.117 -6.031 6.398 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.072 -6.661 3.459 1.00 0.00 N ATOM 1091 CA ARG A 70 0.490 -6.532 2.120 1.00 0.00 C ATOM 1092 C ARG A 70 -0.490 -5.882 1.159 1.00 0.00 C ATOM 1093 O ARG A 70 -0.023 -5.295 0.192 1.00 0.00 O ATOM 1094 CB ARG A 70 0.903 -7.907 1.582 1.00 0.00 C ATOM 1095 CG ARG A 70 2.132 -8.448 2.319 1.00 0.00 C ATOM 1096 CD ARG A 70 2.267 -9.944 2.086 1.00 0.00 C ATOM 1097 NE ARG A 70 3.359 -10.519 2.880 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.657 -11.817 2.956 1.00 0.00 C ATOM 1099 NH1 ARG A 70 2.933 -12.714 2.302 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.679 -12.199 3.704 1.00 0.00 N ATOM 0 H ARG A 70 -0.382 -7.606 3.685 1.00 0.00 H new ATOM 0 HA ARG A 70 1.367 -5.890 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.074 -8.606 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.119 -7.833 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.029 -7.936 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.044 -8.245 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.330 -10.439 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.447 -10.133 1.028 1.00 0.00 H new ATOM 0 HE ARG A 70 3.937 -9.873 3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.140 -12.414 1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.169 -13.704 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.227 -11.505 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.919 -13.188 3.772 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.799 -5.947 1.395 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.815 -5.465 0.458 1.00 0.00 C ATOM 1116 C GLU A 71 -2.555 -4.029 -0.048 1.00 0.00 C ATOM 1117 O GLU A 71 -2.537 -3.829 -1.267 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.223 -5.650 1.047 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.484 -7.128 1.393 1.00 0.00 C ATOM 1120 CD GLU A 71 -5.939 -7.523 1.185 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.344 -7.649 0.005 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.649 -7.666 2.211 1.00 0.00 O ATOM 0 H GLU A 71 -2.190 -6.340 2.251 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.746 -6.083 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.330 -5.038 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.969 -5.302 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.846 -7.761 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.205 -7.310 2.431 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.277 -3.031 0.812 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.940 -1.689 0.346 1.00 0.00 C ATOM 1131 C PRO A 72 -0.562 -1.641 -0.332 1.00 0.00 C ATOM 1132 O PRO A 72 -0.407 -0.981 -1.355 1.00 0.00 O ATOM 1133 CB PRO A 72 -2.035 -0.781 1.575 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.863 -1.735 2.756 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.466 -3.041 2.254 1.00 0.00 C ATOM 0 HA PRO A 72 -2.628 -1.353 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.260 -0.014 1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.994 -0.264 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.813 -1.855 3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.379 -1.370 3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.973 -3.900 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.523 -3.108 2.510 1.00 0.00 H new ATOM 1143 N PHE A 73 0.458 -2.349 0.164 1.00 0.00 N ATOM 1144 CA PHE A 73 1.735 -2.452 -0.545 1.00 0.00 C ATOM 1145 C PHE A 73 1.571 -3.058 -1.946 1.00 0.00 C ATOM 1146 O PHE A 73 2.315 -2.690 -2.847 1.00 0.00 O ATOM 1147 CB PHE A 73 2.749 -3.263 0.266 1.00 0.00 C ATOM 1148 CG PHE A 73 3.341 -2.510 1.448 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.429 -1.633 1.248 1.00 0.00 C ATOM 1150 CD2 PHE A 73 2.818 -2.677 2.744 1.00 0.00 C ATOM 1151 CE1 PHE A 73 5.032 -0.984 2.343 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.401 -1.999 3.834 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.529 -1.178 3.643 1.00 0.00 C ATOM 0 H PHE A 73 0.424 -2.856 1.048 1.00 0.00 H new ATOM 0 HA PHE A 73 2.111 -1.436 -0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.265 -4.169 0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.558 -3.577 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.801 -1.459 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.969 -3.325 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.882 -0.336 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.980 -2.110 4.822 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.004 -0.701 4.487 1.00 0.00 H new ATOM 1163 N ILE A 74 0.630 -3.977 -2.156 1.00 0.00 N ATOM 1164 CA ILE A 74 0.317 -4.558 -3.459 1.00 0.00 C ATOM 1165 C ILE A 74 -0.265 -3.478 -4.361 1.00 0.00 C ATOM 1166 O ILE A 74 0.176 -3.334 -5.496 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.611 -5.774 -3.253 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.245 -6.954 -2.758 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.430 -6.148 -4.494 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.562 -8.027 -2.030 1.00 0.00 C ATOM 0 H ILE A 74 0.049 -4.347 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 74 1.210 -4.929 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.359 -5.507 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.752 -7.407 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.019 -6.576 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.057 -7.011 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.061 -5.306 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.756 -6.393 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.104 -8.828 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.048 -7.588 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.319 -8.432 -2.702 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.206 -2.675 -3.870 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.741 -1.553 -4.618 1.00 0.00 C ATOM 1184 C ARG A 75 -0.638 -0.581 -5.009 1.00 0.00 C ATOM 1185 O ARG A 75 -0.623 -0.106 -6.143 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.814 -0.899 -3.753 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.044 -1.802 -3.702 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.188 -1.142 -2.927 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.344 -2.039 -2.826 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.041 -2.561 -3.841 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.860 -2.137 -5.093 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.921 -3.523 -3.590 1.00 0.00 N ATOM 0 H ARG A 75 -1.615 -2.788 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.185 -1.887 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.432 -0.729 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.081 0.076 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.373 -2.030 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.783 -2.750 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.846 -0.871 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.483 -0.218 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.647 -2.290 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.180 -1.402 -5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.401 -2.548 -5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.057 -3.853 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.461 -3.932 -4.353 1.00 0.00 H new ATOM 1206 N MET A 76 0.307 -0.330 -4.104 1.00 0.00 N ATOM 1207 CA MET A 76 1.508 0.432 -4.385 1.00 0.00 C ATOM 1208 C MET A 76 2.294 -0.165 -5.565 1.00 0.00 C ATOM 1209 O MET A 76 2.688 0.576 -6.462 1.00 0.00 O ATOM 1210 CB MET A 76 2.361 0.465 -3.104 1.00 0.00 C ATOM 1211 CG MET A 76 2.727 1.881 -2.708 1.00 0.00 C ATOM 1212 SD MET A 76 4.045 1.963 -1.469 1.00 0.00 S ATOM 1213 CE MET A 76 3.041 1.891 0.026 1.00 0.00 C ATOM 0 H MET A 76 0.252 -0.659 -3.140 1.00 0.00 H new ATOM 0 HA MET A 76 1.239 1.446 -4.679 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.813 -0.010 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.270 -0.116 -3.258 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.039 2.430 -3.597 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.841 2.382 -2.319 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.689 1.930 0.902 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.354 2.737 0.044 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.472 0.962 0.037 1.00 0.00 H new ATOM 1223 N GLN A 77 2.528 -1.484 -5.570 1.00 0.00 N ATOM 1224 CA GLN A 77 3.287 -2.179 -6.613 1.00 0.00 C ATOM 1225 C GLN A 77 2.571 -2.082 -7.947 1.00 0.00 C ATOM 1226 O GLN A 77 3.212 -1.886 -8.977 1.00 0.00 O ATOM 1227 CB GLN A 77 3.460 -3.673 -6.271 1.00 0.00 C ATOM 1228 CG GLN A 77 4.429 -3.885 -5.116 1.00 0.00 C ATOM 1229 CD GLN A 77 4.266 -5.245 -4.458 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.722 -6.258 -4.962 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.652 -5.293 -3.290 1.00 0.00 N ATOM 0 H GLN A 77 2.189 -2.106 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 77 4.264 -1.700 -6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.491 -4.101 -6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.821 -4.207 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.451 -3.782 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.276 -3.104 -4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.274 -4.440 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.556 -6.183 -2.801 1.00 0.00 H new ATOM 1240 N LEU A 78 1.247 -2.236 -7.925 1.00 0.00 N ATOM 1241 CA LEU A 78 0.447 -2.183 -9.126 1.00 0.00 C ATOM 1242 C LEU A 78 0.509 -0.795 -9.699 1.00 0.00 C ATOM 1243 O LEU A 78 0.982 -0.673 -10.823 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.999 -2.646 -8.866 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.100 -4.156 -8.564 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.506 -4.505 -8.071 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.742 -5.031 -9.768 1.00 0.00 C ATOM 0 H LEU A 78 0.711 -2.400 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 78 0.854 -2.878 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.410 -2.084 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.612 -2.413 -9.737 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.368 -4.367 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.563 -5.573 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.722 -3.945 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.235 -4.246 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.832 -6.082 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.421 -4.812 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.282 -4.823 -10.077 1.00 0.00 H new ATOM 1259 N TRP A 79 0.093 0.227 -8.948 1.00 0.00 N ATOM 1260 CA TRP A 79 0.017 1.614 -9.395 1.00 0.00 C ATOM 1261 C TRP A 79 1.272 2.078 -10.137 1.00 0.00 C ATOM 1262 O TRP A 79 1.163 2.849 -11.091 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.268 2.496 -8.173 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.228 3.964 -8.447 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.270 4.742 -8.819 1.00 0.00 C ATOM 1266 CD2 TRP A 79 0.946 4.828 -8.448 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.831 6.041 -8.998 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.532 6.148 -8.793 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.323 4.619 -8.200 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.443 7.215 -8.855 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.245 5.677 -8.285 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.804 6.976 -8.593 1.00 0.00 C ATOM 0 H TRP A 79 -0.209 0.105 -7.981 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.791 1.699 -10.122 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.250 2.240 -7.777 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.460 2.264 -7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.286 4.402 -8.955 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.437 6.822 -9.250 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.672 3.630 -7.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.102 8.210 -9.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.295 5.491 -8.113 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.511 7.791 -8.628 1.00 0.00 H new ATOM 1283 N LEU A 80 2.442 1.580 -9.731 1.00 0.00 N ATOM 1284 CA LEU A 80 3.731 1.876 -10.334 1.00 0.00 C ATOM 1285 C LEU A 80 3.698 1.658 -11.847 1.00 0.00 C ATOM 1286 O LEU A 80 4.188 2.514 -12.588 1.00 0.00 O ATOM 1287 CB LEU A 80 4.802 1.005 -9.654 1.00 0.00 C ATOM 1288 CG LEU A 80 5.746 1.817 -8.752 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.431 0.890 -7.756 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.808 2.573 -9.549 1.00 0.00 C ATOM 0 H LEU A 80 2.514 0.936 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 80 3.976 2.927 -10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.313 0.234 -9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.387 0.494 -10.418 1.00 0.00 H new ATOM 0 HG LEU A 80 5.136 2.554 -8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.099 1.470 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.678 0.398 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.007 0.138 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.448 3.130 -8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.412 1.864 -10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.322 3.265 -10.237 1.00 0.00 H new ATOM 1302 N SER A 81 3.124 0.538 -12.299 1.00 0.00 N ATOM 1303 CA SER A 81 2.873 0.262 -13.711 1.00 0.00 C ATOM 1304 C SER A 81 1.442 0.638 -14.140 1.00 0.00 C ATOM 1305 O SER A 81 1.259 1.244 -15.195 1.00 0.00 O ATOM 1306 CB SER A 81 3.194 -1.218 -13.967 1.00 0.00 C ATOM 1307 OG SER A 81 4.435 -1.379 -14.628 1.00 0.00 O ATOM 0 H SER A 81 2.817 -0.213 -11.681 1.00 0.00 H new ATOM 0 HA SER A 81 3.519 0.888 -14.326 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.215 -1.755 -13.019 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.401 -1.663 -14.568 1.00 0.00 H new ATOM 0 HG SER A 81 4.607 -2.333 -14.773 1.00 0.00 H new ATOM 1313 N ASP A 82 0.448 0.233 -13.346 1.00 0.00 N ATOM 1314 CA ASP A 82 -1.004 0.198 -13.583 1.00 0.00 C ATOM 1315 C ASP A 82 -1.613 1.587 -13.771 1.00 0.00 C ATOM 1316 O ASP A 82 -2.617 1.735 -14.463 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.640 -0.499 -12.359 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.120 -0.887 -12.419 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.995 -0.062 -12.739 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.437 -2.007 -11.942 1.00 0.00 O ATOM 0 H ASP A 82 0.663 -0.120 -12.413 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.201 -0.340 -14.510 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.069 -1.406 -12.162 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.505 0.156 -11.499 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.018 2.616 -13.147 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.571 3.956 -12.971 1.00 0.00 C ATOM 1327 C GLN A 83 -2.892 4.002 -12.175 1.00 0.00 C ATOM 1328 O GLN A 83 -3.225 5.072 -11.657 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.718 4.650 -14.339 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.674 5.739 -14.615 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.942 6.354 -15.990 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -2.049 6.805 -16.280 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.032 6.367 -16.885 1.00 0.00 N ATOM 0 H GLN A 83 -0.091 2.524 -12.732 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.856 4.502 -12.356 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.654 3.896 -15.123 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.712 5.093 -14.403 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.720 6.508 -13.844 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.329 5.315 -14.582 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.950 5.993 -16.645 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.135 6.751 -17.815 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.610 2.882 -12.011 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.029 2.809 -11.687 1.00 0.00 C ATOM 1344 C LEU A 84 -5.833 3.891 -12.398 1.00 0.00 C ATOM 1345 O LEU A 84 -6.408 4.787 -11.778 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.299 2.752 -10.189 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.876 1.399 -9.584 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.550 1.498 -8.834 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.914 0.927 -8.585 1.00 0.00 C ATOM 0 H LEU A 84 -3.188 1.958 -12.107 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.384 1.855 -12.076 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.759 3.558 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.360 2.917 -10.004 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.776 0.704 -10.418 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.290 0.522 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.768 1.824 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.644 2.219 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.605 -0.030 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.010 1.662 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.875 0.809 -9.087 1.00 0.00 H new