USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 933 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 129 ASN : amide:sc= -1.1! C(o=-7!,f=-14!) USER MOD Set 1.2: A 132 GLN : amide:sc= -5.92! C(o=-7!,f=-16!) USER MOD Set 2.1: A 65 SER OG : rot 176:sc= -0.35! USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 30 LYS NZ :NH3+ -166:sc= -0.501 (180deg=-1.37!) USER MOD Set 3.2: A 46 THR OG1 : rot 67:sc= 0.992 USER MOD Set 4.1: A 36 CYS SG : rot -115:sc= 0.732 USER MOD Set 4.2: A 39 CYS SG : rot 113:sc= 0.582 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 115:sc= -0.283 USER MOD Single : A 14 ASN : amide:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= 0.142 (180deg=0.00131) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -179:sc= -2.36 USER MOD Single : A 34 SER OG : rot 121:sc= -0.149! USER MOD Single : A 41 SER OG : rot -53:sc= 0.264 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.82 K(o=-0.82,f=-5.5!) USER MOD Single : A 62 THR OG1 : rot -77:sc= -0.695 USER MOD Single : A 70 HIS : no HD1:sc=-0.00442 X(o=-0.0044,f=-0.066) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0135) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -2.91! C(o=-2.9!,f=-8.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 51:sc= 0.112 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 86:sc= 0.712 USER MOD Single : A 104 ASN : amide:sc= -0.791 X(o=-0.79,f=-0.83) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 104:sc= 0.926 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -1.96! C(o=-2!,f=-2.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 0.279 -0.725 13.236 1.00 0.00 N ATOM 125 CA LEU A 9 0.137 0.351 12.270 1.00 0.00 C ATOM 126 C LEU A 9 -1.330 0.776 12.196 1.00 0.00 C ATOM 127 O LEU A 9 -2.225 -0.017 12.482 1.00 0.00 O ATOM 128 CB LEU A 9 0.728 -0.061 10.919 1.00 0.00 C ATOM 129 CG LEU A 9 2.255 -0.077 10.831 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.719 -0.551 9.453 1.00 0.00 C ATOM 131 CD2 LEU A 9 2.840 1.289 11.196 1.00 0.00 C ATOM 0 HA LEU A 9 0.705 1.225 12.588 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.359 -1.057 10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.347 0.618 10.156 1.00 0.00 H new ATOM 0 HG LEU A 9 2.632 -0.793 11.561 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.808 -0.553 9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.348 -1.560 9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.332 0.122 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.927 1.250 11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.459 2.044 10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.552 1.548 12.215 1.00 0.00 H new ATOM 143 N LYS A 10 -1.531 2.028 11.811 1.00 0.00 N ATOM 144 CA LYS A 10 -2.877 2.568 11.697 1.00 0.00 C ATOM 145 C LYS A 10 -3.006 3.322 10.372 1.00 0.00 C ATOM 146 O LYS A 10 -2.026 3.864 9.863 1.00 0.00 O ATOM 147 CB LYS A 10 -3.219 3.415 12.924 1.00 0.00 C ATOM 148 CG LYS A 10 -3.400 2.537 14.163 1.00 0.00 C ATOM 149 CD LYS A 10 -4.644 2.952 14.953 1.00 0.00 C ATOM 150 CE LYS A 10 -5.038 1.873 15.962 1.00 0.00 C ATOM 151 NZ LYS A 10 -5.454 2.487 17.242 1.00 0.00 N ATOM 0 H LYS A 10 -0.786 2.684 11.574 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.612 1.764 11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.426 4.141 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.133 3.980 12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.487 1.493 13.863 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.518 2.614 14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.452 3.890 15.474 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.471 3.133 14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.852 1.270 15.559 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.197 1.200 16.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.718 1.740 17.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.666 3.043 17.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.270 3.110 17.079 1.00 0.00 H new ATOM 164 N THR A 11 -4.224 3.333 9.851 1.00 0.00 N ATOM 165 CA THR A 11 -4.495 4.012 8.597 1.00 0.00 C ATOM 166 C THR A 11 -4.736 5.504 8.838 1.00 0.00 C ATOM 167 O THR A 11 -4.670 5.971 9.974 1.00 0.00 O ATOM 168 CB THR A 11 -5.675 3.308 7.924 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.688 3.293 8.925 1.00 0.00 O ATOM 170 CG2 THR A 11 -5.397 1.828 7.652 1.00 0.00 C ATOM 0 H THR A 11 -5.034 2.882 10.275 1.00 0.00 H new ATOM 0 HA THR A 11 -3.638 3.958 7.925 1.00 0.00 H new ATOM 0 HB THR A 11 -5.910 3.811 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.444 3.845 8.634 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.266 1.376 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.532 1.735 6.995 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.194 1.317 8.593 1.00 0.00 H new ATOM 178 N ALA A 12 -5.011 6.210 7.750 1.00 0.00 N ATOM 179 CA ALA A 12 -5.261 7.639 7.830 1.00 0.00 C ATOM 180 C ALA A 12 -6.660 7.876 8.402 1.00 0.00 C ATOM 181 O ALA A 12 -7.060 9.020 8.619 1.00 0.00 O ATOM 182 CB ALA A 12 -5.083 8.266 6.446 1.00 0.00 C ATOM 0 H ALA A 12 -5.066 5.819 6.810 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.546 8.117 8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.270 9.338 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.065 8.094 6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.787 7.813 5.748 1.00 0.00 H new ATOM 188 N ASP A 13 -7.365 6.779 8.630 1.00 0.00 N ATOM 189 CA ASP A 13 -8.710 6.853 9.172 1.00 0.00 C ATOM 190 C ASP A 13 -8.685 6.442 10.647 1.00 0.00 C ATOM 191 O ASP A 13 -9.722 6.109 11.220 1.00 0.00 O ATOM 192 CB ASP A 13 -9.656 5.903 8.434 1.00 0.00 C ATOM 193 CG ASP A 13 -10.793 6.586 7.672 1.00 0.00 C ATOM 194 OD1 ASP A 13 -10.841 7.821 7.570 1.00 0.00 O ATOM 195 OD2 ASP A 13 -11.666 5.785 7.161 1.00 0.00 O ATOM 0 H ASP A 13 -7.030 5.833 8.449 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.064 7.877 9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.073 5.308 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.088 5.210 9.156 1.00 0.00 H new ATOM 201 N ASN A 14 -7.491 6.479 11.218 1.00 0.00 N ATOM 202 CA ASN A 14 -7.316 6.115 12.613 1.00 0.00 C ATOM 203 C ASN A 14 -7.794 4.676 12.824 1.00 0.00 C ATOM 204 O ASN A 14 -8.314 4.340 13.886 1.00 0.00 O ATOM 205 CB ASN A 14 -8.140 7.024 13.527 1.00 0.00 C ATOM 206 CG ASN A 14 -7.270 7.621 14.635 1.00 0.00 C ATOM 207 OD1 ASN A 14 -7.201 8.824 14.826 1.00 0.00 O ATOM 208 ND2 ASN A 14 -6.611 6.715 15.352 1.00 0.00 N ATOM 0 H ASN A 14 -6.634 6.756 10.739 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.259 6.219 12.858 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.589 7.826 12.940 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.959 6.456 13.969 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.003 7.012 16.115 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.714 5.723 15.139 1.00 0.00 H new ATOM 215 N ARG A 15 -7.598 3.864 11.795 1.00 0.00 N ATOM 216 CA ARG A 15 -8.002 2.470 11.854 1.00 0.00 C ATOM 217 C ARG A 15 -6.772 1.565 11.946 1.00 0.00 C ATOM 218 O ARG A 15 -5.727 1.873 11.374 1.00 0.00 O ATOM 219 CB ARG A 15 -8.821 2.081 10.621 1.00 0.00 C ATOM 220 CG ARG A 15 -10.259 1.730 11.008 1.00 0.00 C ATOM 221 CD ARG A 15 -11.220 2.001 9.847 1.00 0.00 C ATOM 222 NE ARG A 15 -12.175 0.877 9.710 1.00 0.00 N ATOM 223 CZ ARG A 15 -13.167 0.618 10.587 1.00 0.00 C ATOM 224 NH1 ARG A 15 -13.344 1.398 11.674 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.964 -0.412 10.366 1.00 0.00 N ATOM 0 H ARG A 15 -7.165 4.145 10.916 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.620 2.341 12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.823 2.904 9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.356 1.229 10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.316 0.680 11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.559 2.315 11.877 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.762 2.931 10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.659 2.128 8.921 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.077 0.261 8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.725 2.192 11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.097 1.194 12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.824 -0.997 9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.719 -0.622 11.019 1.00 0.00 H new ATOM 238 N PRO A 16 -6.942 0.439 12.689 1.00 0.00 N ATOM 239 CA PRO A 16 -5.857 -0.513 12.863 1.00 0.00 C ATOM 240 C PRO A 16 -5.646 -1.340 11.594 1.00 0.00 C ATOM 241 O PRO A 16 -6.607 -1.796 10.977 1.00 0.00 O ATOM 242 CB PRO A 16 -6.264 -1.357 14.062 1.00 0.00 C ATOM 243 CG PRO A 16 -7.762 -1.155 14.225 1.00 0.00 C ATOM 244 CD PRO A 16 -8.165 0.043 13.380 1.00 0.00 C ATOM 0 HA PRO A 16 -4.896 -0.030 13.040 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.027 -2.408 13.898 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.728 -1.046 14.959 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.304 -2.046 13.908 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.013 -0.985 15.272 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.952 -0.218 12.673 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.549 0.853 14.000 1.00 0.00 H new ATOM 252 N ALA A 17 -4.379 -1.512 11.242 1.00 0.00 N ATOM 253 CA ALA A 17 -4.028 -2.277 10.059 1.00 0.00 C ATOM 254 C ALA A 17 -4.314 -3.758 10.310 1.00 0.00 C ATOM 255 O ALA A 17 -4.589 -4.508 9.374 1.00 0.00 O ATOM 256 CB ALA A 17 -2.563 -2.018 9.699 1.00 0.00 C ATOM 0 H ALA A 17 -3.584 -1.134 11.757 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.633 -1.965 9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.300 -2.592 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.419 -0.956 9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.925 -2.321 10.529 1.00 0.00 H new ATOM 262 N SER A 18 -4.239 -4.136 11.577 1.00 0.00 N ATOM 263 CA SER A 18 -4.487 -5.513 11.964 1.00 0.00 C ATOM 264 C SER A 18 -5.870 -5.952 11.482 1.00 0.00 C ATOM 265 O SER A 18 -6.154 -7.147 11.398 1.00 0.00 O ATOM 266 CB SER A 18 -4.372 -5.690 13.480 1.00 0.00 C ATOM 267 OG SER A 18 -5.486 -5.129 14.167 1.00 0.00 O ATOM 0 H SER A 18 -4.010 -3.511 12.350 1.00 0.00 H new ATOM 0 HA SER A 18 -3.730 -6.141 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.297 -6.751 13.717 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.454 -5.219 13.832 1.00 0.00 H new ATOM 0 HG SER A 18 -5.377 -5.263 15.132 1.00 0.00 H new ATOM 273 N VAL A 19 -6.697 -4.963 11.177 1.00 0.00 N ATOM 274 CA VAL A 19 -8.045 -5.230 10.706 1.00 0.00 C ATOM 275 C VAL A 19 -7.974 -6.000 9.385 1.00 0.00 C ATOM 276 O VAL A 19 -8.854 -6.807 9.085 1.00 0.00 O ATOM 277 CB VAL A 19 -8.830 -3.923 10.593 1.00 0.00 C ATOM 278 CG1 VAL A 19 -10.193 -4.155 9.938 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.986 -3.258 11.962 1.00 0.00 C ATOM 0 H VAL A 19 -6.459 -3.974 11.247 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.582 -5.854 11.420 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.263 -3.247 9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.730 -3.209 9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.051 -4.564 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.770 -4.858 10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.548 -2.330 11.854 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.520 -3.930 12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.001 -3.040 12.375 1.00 0.00 H new ATOM 289 N TYR A 20 -6.920 -5.725 8.632 1.00 0.00 N ATOM 290 CA TYR A 20 -6.724 -6.382 7.350 1.00 0.00 C ATOM 291 C TYR A 20 -5.389 -7.129 7.317 1.00 0.00 C ATOM 292 O TYR A 20 -4.792 -7.293 6.254 1.00 0.00 O ATOM 293 CB TYR A 20 -6.696 -5.267 6.304 1.00 0.00 C ATOM 294 CG TYR A 20 -8.082 -4.814 5.841 1.00 0.00 C ATOM 295 CD1 TYR A 20 -8.906 -5.692 5.165 1.00 0.00 C ATOM 296 CD2 TYR A 20 -8.509 -3.527 6.097 1.00 0.00 C ATOM 297 CE1 TYR A 20 -10.209 -5.266 4.729 1.00 0.00 C ATOM 298 CE2 TYR A 20 -9.814 -3.100 5.661 1.00 0.00 C ATOM 299 CZ TYR A 20 -10.600 -3.991 4.999 1.00 0.00 C ATOM 300 OH TYR A 20 -11.832 -3.589 4.587 1.00 0.00 O ATOM 0 H TYR A 20 -6.192 -5.056 8.884 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.516 -7.108 7.165 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.163 -4.410 6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.129 -5.609 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.572 -6.699 4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.864 -2.839 6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.862 -5.943 4.199 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.160 -2.096 5.855 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.976 -2.656 4.849 1.00 0.00 H new ATOM 310 N LEU A 21 -4.961 -7.565 8.493 1.00 0.00 N ATOM 311 CA LEU A 21 -3.708 -8.290 8.612 1.00 0.00 C ATOM 312 C LEU A 21 -3.872 -9.683 7.998 1.00 0.00 C ATOM 313 O LEU A 21 -4.428 -10.582 8.628 1.00 0.00 O ATOM 314 CB LEU A 21 -3.237 -8.312 10.066 1.00 0.00 C ATOM 315 CG LEU A 21 -1.940 -7.556 10.361 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.720 -8.358 9.902 1.00 0.00 C ATOM 317 CD2 LEU A 21 -1.969 -6.155 9.747 1.00 0.00 C ATOM 0 H LEU A 21 -5.460 -7.430 9.372 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.920 -7.784 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.028 -7.895 10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.106 -9.351 10.369 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.856 -7.432 11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.188 -7.798 10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.694 -9.313 10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.784 -8.535 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.035 -5.640 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.089 -6.234 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.804 -5.592 10.165 1.00 0.00 H new ATOM 329 N LYS A 22 -3.376 -9.819 6.777 1.00 0.00 N ATOM 330 CA LYS A 22 -3.460 -11.087 6.071 1.00 0.00 C ATOM 331 C LYS A 22 -3.204 -12.230 7.055 1.00 0.00 C ATOM 332 O LYS A 22 -2.055 -12.544 7.362 1.00 0.00 O ATOM 333 CB LYS A 22 -2.519 -11.091 4.864 1.00 0.00 C ATOM 334 CG LYS A 22 -1.138 -10.554 5.244 1.00 0.00 C ATOM 335 CD LYS A 22 -0.220 -11.685 5.712 1.00 0.00 C ATOM 336 CE LYS A 22 0.272 -11.436 7.139 1.00 0.00 C ATOM 337 NZ LYS A 22 0.705 -12.705 7.766 1.00 0.00 N ATOM 0 H LYS A 22 -2.914 -9.072 6.258 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.461 -11.233 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.425 -12.105 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.943 -10.482 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.692 -10.049 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.238 -9.811 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.755 -12.634 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.633 -11.768 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.101 -10.728 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.524 -10.984 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.306 -12.498 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.130 -13.243 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.244 -13.267 7.076 1.00 0.00 H new ATOM 350 N LYS A 23 -4.293 -12.823 7.521 1.00 0.00 N ATOM 351 CA LYS A 23 -4.202 -13.925 8.463 1.00 0.00 C ATOM 352 C LYS A 23 -3.572 -15.133 7.767 1.00 0.00 C ATOM 353 O LYS A 23 -4.222 -16.163 7.598 1.00 0.00 O ATOM 354 CB LYS A 23 -5.569 -14.215 9.083 1.00 0.00 C ATOM 355 CG LYS A 23 -5.433 -14.589 10.560 1.00 0.00 C ATOM 356 CD LYS A 23 -6.760 -15.108 11.118 1.00 0.00 C ATOM 357 CE LYS A 23 -6.857 -14.856 12.624 1.00 0.00 C ATOM 358 NZ LYS A 23 -8.224 -15.149 13.112 1.00 0.00 N ATOM 0 H LYS A 23 -5.244 -12.561 7.263 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.551 -13.661 9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.211 -13.339 8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.053 -15.028 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.662 -15.351 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.110 -13.719 11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.590 -14.617 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.850 -16.176 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.135 -15.480 13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.601 -13.819 12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.272 -14.973 14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.906 -14.535 12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.455 -16.145 12.921 1.00 0.00 H new ATOM 371 N ASP A 24 -2.315 -14.967 7.383 1.00 0.00 N ATOM 372 CA ASP A 24 -1.591 -16.032 6.710 1.00 0.00 C ATOM 373 C ASP A 24 -1.879 -15.968 5.208 1.00 0.00 C ATOM 374 O ASP A 24 -1.887 -16.994 4.530 1.00 0.00 O ATOM 375 CB ASP A 24 -2.034 -17.406 7.218 1.00 0.00 C ATOM 376 CG ASP A 24 -0.966 -18.498 7.139 1.00 0.00 C ATOM 377 OD1 ASP A 24 -0.691 -19.046 6.062 1.00 0.00 O ATOM 378 OD2 ASP A 24 -0.398 -18.786 8.262 1.00 0.00 O ATOM 0 H ASP A 24 -1.779 -14.111 7.525 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.528 -15.898 6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.356 -17.307 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.903 -17.726 6.644 1.00 0.00 H new ATOM 384 N LYS A 25 -2.107 -14.752 4.733 1.00 0.00 N ATOM 385 CA LYS A 25 -2.394 -14.540 3.325 1.00 0.00 C ATOM 386 C LYS A 25 -1.394 -13.534 2.751 1.00 0.00 C ATOM 387 O LYS A 25 -0.703 -12.843 3.499 1.00 0.00 O ATOM 388 CB LYS A 25 -3.855 -14.133 3.130 1.00 0.00 C ATOM 389 CG LYS A 25 -4.759 -15.364 3.029 1.00 0.00 C ATOM 390 CD LYS A 25 -6.220 -14.957 2.828 1.00 0.00 C ATOM 391 CE LYS A 25 -6.683 -15.265 1.402 1.00 0.00 C ATOM 392 NZ LYS A 25 -8.161 -15.275 1.329 1.00 0.00 N ATOM 0 H LYS A 25 -2.099 -13.903 5.299 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.269 -15.468 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.177 -13.509 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.951 -13.532 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.435 -15.990 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.666 -15.963 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.851 -15.487 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.336 -13.892 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.284 -14.519 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.291 -16.232 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.459 -15.485 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.535 -16.003 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.529 -14.344 1.610 1.00 0.00 H new ATOM 405 N PRO A 26 -1.346 -13.482 1.393 1.00 0.00 N ATOM 406 CA PRO A 26 -0.442 -12.573 0.709 1.00 0.00 C ATOM 407 C PRO A 26 -0.957 -11.133 0.781 1.00 0.00 C ATOM 408 O PRO A 26 -2.138 -10.881 0.553 1.00 0.00 O ATOM 409 CB PRO A 26 -0.353 -13.101 -0.713 1.00 0.00 C ATOM 410 CG PRO A 26 -1.560 -14.005 -0.899 1.00 0.00 C ATOM 411 CD PRO A 26 -2.148 -14.286 0.475 1.00 0.00 C ATOM 0 HA PRO A 26 0.546 -12.537 1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.363 -12.284 -1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.575 -13.652 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.300 -13.527 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.269 -14.935 -1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.201 -14.007 0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.089 -15.346 0.722 1.00 0.00 H new ATOM 419 N THR A 27 -0.043 -10.227 1.098 1.00 0.00 N ATOM 420 CA THR A 27 -0.389 -8.820 1.203 1.00 0.00 C ATOM 421 C THR A 27 0.446 -7.991 0.225 1.00 0.00 C ATOM 422 O THR A 27 1.622 -8.281 0.008 1.00 0.00 O ATOM 423 CB THR A 27 -0.213 -8.398 2.663 1.00 0.00 C ATOM 424 OG1 THR A 27 -1.534 -8.435 3.197 1.00 0.00 O ATOM 425 CG2 THR A 27 0.203 -6.932 2.802 1.00 0.00 C ATOM 0 H THR A 27 0.937 -10.440 1.285 1.00 0.00 H new ATOM 0 HA THR A 27 -1.428 -8.646 0.922 1.00 0.00 H new ATOM 0 HB THR A 27 0.534 -9.035 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.514 -8.161 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.314 -6.684 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.152 -6.773 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.561 -6.293 2.358 1.00 0.00 H new ATOM 433 N LEU A 28 -0.193 -6.977 -0.338 1.00 0.00 N ATOM 434 CA LEU A 28 0.477 -6.104 -1.287 1.00 0.00 C ATOM 435 C LEU A 28 0.397 -4.660 -0.790 1.00 0.00 C ATOM 436 O LEU A 28 -0.680 -4.179 -0.440 1.00 0.00 O ATOM 437 CB LEU A 28 -0.094 -6.304 -2.693 1.00 0.00 C ATOM 438 CG LEU A 28 0.662 -5.610 -3.828 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.019 -6.273 -4.069 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.186 -5.558 -5.100 1.00 0.00 C ATOM 0 H LEU A 28 -1.168 -6.740 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 28 1.535 -6.358 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.124 -7.373 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.125 -5.949 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 28 0.857 -4.580 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.535 -5.760 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.620 -6.213 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.870 -7.319 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.375 -5.060 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.433 -6.572 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.104 -5.005 -4.903 1.00 0.00 H new ATOM 452 N ILE A 29 1.549 -4.007 -0.774 1.00 0.00 N ATOM 453 CA ILE A 29 1.623 -2.627 -0.327 1.00 0.00 C ATOM 454 C ILE A 29 1.839 -1.714 -1.535 1.00 0.00 C ATOM 455 O ILE A 29 2.401 -2.137 -2.543 1.00 0.00 O ATOM 456 CB ILE A 29 2.691 -2.473 0.760 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.491 -3.503 1.874 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.719 -1.042 1.299 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.681 -4.463 1.952 1.00 0.00 C ATOM 0 H ILE A 29 2.440 -4.409 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 29 0.683 -2.326 0.136 1.00 0.00 H new ATOM 0 HB ILE A 29 3.666 -2.668 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.368 -2.992 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.576 -4.066 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.485 -0.958 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.945 -0.351 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.747 -0.795 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.514 -5.185 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.786 -4.990 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.591 -3.899 2.157 1.00 0.00 H new ATOM 471 N LYS A 30 1.381 -0.479 -1.391 1.00 0.00 N ATOM 472 CA LYS A 30 1.516 0.498 -2.459 1.00 0.00 C ATOM 473 C LYS A 30 1.900 1.852 -1.859 1.00 0.00 C ATOM 474 O LYS A 30 1.088 2.494 -1.195 1.00 0.00 O ATOM 475 CB LYS A 30 0.246 0.540 -3.311 1.00 0.00 C ATOM 476 CG LYS A 30 0.179 1.830 -4.131 1.00 0.00 C ATOM 477 CD LYS A 30 1.195 1.807 -5.275 1.00 0.00 C ATOM 478 CE LYS A 30 0.673 2.579 -6.487 1.00 0.00 C ATOM 479 NZ LYS A 30 -0.708 2.160 -6.813 1.00 0.00 N ATOM 0 H LYS A 30 0.916 -0.132 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 30 2.318 0.211 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.223 -0.321 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.631 0.468 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.826 1.957 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.373 2.686 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.136 2.243 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.405 0.776 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.696 3.649 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.324 2.405 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.962 2.507 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.769 1.122 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.366 2.556 -6.112 1.00 0.00 H new ATOM 492 N PHE A 31 3.139 2.246 -2.115 1.00 0.00 N ATOM 493 CA PHE A 31 3.641 3.513 -1.609 1.00 0.00 C ATOM 494 C PHE A 31 3.183 4.675 -2.491 1.00 0.00 C ATOM 495 O PHE A 31 3.304 4.617 -3.714 1.00 0.00 O ATOM 496 CB PHE A 31 5.168 3.434 -1.642 1.00 0.00 C ATOM 497 CG PHE A 31 5.748 2.248 -0.866 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.866 1.034 -1.467 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.145 2.410 0.425 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.402 -0.065 -0.747 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.682 1.311 1.146 1.00 0.00 C ATOM 502 CZ PHE A 31 6.799 0.096 0.546 1.00 0.00 C ATOM 0 H PHE A 31 3.810 1.711 -2.666 1.00 0.00 H new ATOM 0 HA PHE A 31 3.264 3.687 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.496 3.371 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.578 4.358 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.552 0.906 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.052 3.375 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.495 -1.029 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.998 1.440 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.206 -0.741 1.094 1.00 0.00 H new ATOM 512 N TRP A 32 2.666 5.705 -1.836 1.00 0.00 N ATOM 513 CA TRP A 32 2.189 6.880 -2.546 1.00 0.00 C ATOM 514 C TRP A 32 2.569 8.115 -1.725 1.00 0.00 C ATOM 515 O TRP A 32 2.959 7.996 -0.564 1.00 0.00 O ATOM 516 CB TRP A 32 0.687 6.783 -2.819 1.00 0.00 C ATOM 517 CG TRP A 32 -0.170 6.692 -1.556 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.168 5.730 -0.624 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.166 7.644 -1.122 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.083 5.990 0.377 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.709 7.191 0.063 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.591 8.847 -1.711 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.709 7.880 0.760 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.591 9.524 -1.001 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.149 9.082 0.193 1.00 0.00 C ATOM 0 H TRP A 32 2.567 5.750 -0.822 1.00 0.00 H new ATOM 0 HA TRP A 32 2.659 6.956 -3.527 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.376 7.655 -3.395 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.497 5.907 -3.439 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.470 4.859 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.266 5.409 1.195 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.179 9.220 -2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.119 7.504 1.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.954 10.455 -1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.918 9.663 0.681 1.00 0.00 H new ATOM 536 N ALA A 33 2.441 9.271 -2.360 1.00 0.00 N ATOM 537 CA ALA A 33 2.766 10.525 -1.703 1.00 0.00 C ATOM 538 C ALA A 33 1.652 11.538 -1.971 1.00 0.00 C ATOM 539 O ALA A 33 1.027 11.514 -3.030 1.00 0.00 O ATOM 540 CB ALA A 33 4.131 11.017 -2.187 1.00 0.00 C ATOM 0 H ALA A 33 2.117 9.365 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 33 2.834 10.387 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.374 11.958 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.892 10.274 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.101 11.170 -3.266 1.00 0.00 H new ATOM 546 N SER A 34 1.438 12.408 -0.993 1.00 0.00 N ATOM 547 CA SER A 34 0.411 13.427 -1.110 1.00 0.00 C ATOM 548 C SER A 34 0.865 14.518 -2.084 1.00 0.00 C ATOM 549 O SER A 34 0.045 15.281 -2.592 1.00 0.00 O ATOM 550 CB SER A 34 0.082 14.037 0.254 1.00 0.00 C ATOM 551 OG SER A 34 -0.914 15.052 0.159 1.00 0.00 O ATOM 0 H SER A 34 1.959 12.427 -0.117 1.00 0.00 H new ATOM 0 HA SER A 34 -0.494 12.958 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.263 13.253 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.988 14.458 0.691 1.00 0.00 H new ATOM 0 HG SER A 34 -1.685 14.806 0.712 1.00 0.00 H new ATOM 557 N TRP A 35 2.169 14.554 -2.315 1.00 0.00 N ATOM 558 CA TRP A 35 2.741 15.539 -3.218 1.00 0.00 C ATOM 559 C TRP A 35 2.782 14.926 -4.619 1.00 0.00 C ATOM 560 O TRP A 35 3.008 15.630 -5.601 1.00 0.00 O ATOM 561 CB TRP A 35 4.114 16.000 -2.727 1.00 0.00 C ATOM 562 CG TRP A 35 5.084 14.856 -2.423 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.505 14.426 -1.226 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.740 14.006 -3.387 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.380 13.367 -1.347 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.529 13.103 -2.704 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.670 14.000 -4.791 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.305 12.128 -3.339 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.453 13.020 -5.413 1.00 0.00 C ATOM 570 CH2 TRP A 35 7.252 12.104 -4.738 1.00 0.00 C ATOM 0 H TRP A 35 2.845 13.918 -1.893 1.00 0.00 H new ATOM 0 HA TRP A 35 2.126 16.438 -3.249 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.559 16.649 -3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.983 16.601 -1.827 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.197 14.855 -0.284 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.834 12.869 -0.582 1.00 0.00 H new ATOM 0 HE3 TRP A 35 5.060 14.697 -5.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.912 11.431 -2.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.435 12.972 -6.492 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.829 11.377 -5.290 1.00 0.00 H new ATOM 581 N CYS A 36 2.559 13.621 -4.666 1.00 0.00 N ATOM 582 CA CYS A 36 2.567 12.905 -5.930 1.00 0.00 C ATOM 583 C CYS A 36 1.169 12.995 -6.542 1.00 0.00 C ATOM 584 O CYS A 36 0.208 12.464 -5.987 1.00 0.00 O ATOM 585 CB CYS A 36 3.023 11.454 -5.757 1.00 0.00 C ATOM 586 SG CYS A 36 3.276 10.677 -7.395 1.00 0.00 S ATOM 0 H CYS A 36 2.372 13.041 -3.848 1.00 0.00 H new ATOM 0 HA CYS A 36 3.288 13.364 -6.606 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.949 11.421 -5.183 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.278 10.895 -5.191 1.00 0.00 H new ATOM 0 HG CYS A 36 2.422 9.710 -7.553 1.00 0.00 H new ATOM 592 N PRO A 37 1.096 13.691 -7.709 1.00 0.00 N ATOM 593 CA PRO A 37 -0.170 13.858 -8.404 1.00 0.00 C ATOM 594 C PRO A 37 -0.584 12.564 -9.108 1.00 0.00 C ATOM 595 O PRO A 37 -1.723 12.120 -8.980 1.00 0.00 O ATOM 596 CB PRO A 37 0.057 15.011 -9.365 1.00 0.00 C ATOM 597 CG PRO A 37 1.565 15.144 -9.509 1.00 0.00 C ATOM 598 CD PRO A 37 2.211 14.335 -8.396 1.00 0.00 C ATOM 0 HA PRO A 37 -0.995 14.079 -7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.411 14.814 -10.329 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.381 15.932 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.889 14.780 -10.484 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.864 16.190 -9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.908 13.599 -8.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.777 14.975 -7.719 1.00 0.00 H new ATOM 606 N LEU A 38 0.366 11.995 -9.837 1.00 0.00 N ATOM 607 CA LEU A 38 0.114 10.763 -10.563 1.00 0.00 C ATOM 608 C LEU A 38 -0.471 9.722 -9.605 1.00 0.00 C ATOM 609 O LEU A 38 -1.311 8.913 -9.999 1.00 0.00 O ATOM 610 CB LEU A 38 1.383 10.293 -11.279 1.00 0.00 C ATOM 611 CG LEU A 38 2.260 9.303 -10.509 1.00 0.00 C ATOM 612 CD1 LEU A 38 2.062 7.877 -11.029 1.00 0.00 C ATOM 613 CD2 LEU A 38 3.728 9.728 -10.546 1.00 0.00 C ATOM 0 H LEU A 38 1.311 12.365 -9.940 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.625 10.928 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.094 9.833 -12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.985 11.169 -11.522 1.00 0.00 H new ATOM 0 HG LEU A 38 1.949 9.311 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.696 7.193 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.018 7.587 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.330 7.834 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.329 9.008 -9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.070 9.766 -11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.833 10.714 -10.093 1.00 0.00 H new ATOM 625 N CYS A 39 -0.006 9.778 -8.366 1.00 0.00 N ATOM 626 CA CYS A 39 -0.473 8.851 -7.348 1.00 0.00 C ATOM 627 C CYS A 39 -1.894 9.254 -6.947 1.00 0.00 C ATOM 628 O CYS A 39 -2.767 8.400 -6.803 1.00 0.00 O ATOM 629 CB CYS A 39 0.470 8.811 -6.145 1.00 0.00 C ATOM 630 SG CYS A 39 1.984 7.874 -6.567 1.00 0.00 S ATOM 0 H CYS A 39 0.689 10.451 -8.043 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.484 7.838 -7.751 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.732 9.825 -5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.030 8.346 -5.296 1.00 0.00 H new ATOM 0 HG CYS A 39 3.002 8.682 -6.591 1.00 0.00 H new ATOM 636 N LEU A 40 -2.080 10.554 -6.779 1.00 0.00 N ATOM 637 CA LEU A 40 -3.380 11.081 -6.397 1.00 0.00 C ATOM 638 C LEU A 40 -4.447 10.527 -7.343 1.00 0.00 C ATOM 639 O LEU A 40 -5.492 10.056 -6.896 1.00 0.00 O ATOM 640 CB LEU A 40 -3.343 12.609 -6.339 1.00 0.00 C ATOM 641 CG LEU A 40 -2.798 13.218 -5.046 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.314 14.652 -5.276 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.834 13.136 -3.922 1.00 0.00 C ATOM 0 H LEU A 40 -1.353 11.259 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.643 10.754 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.738 12.970 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.355 12.983 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.934 12.633 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.932 15.061 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.521 14.653 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.144 15.264 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.421 13.576 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.731 13.681 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.088 12.092 -3.737 1.00 0.00 H new ATOM 655 N SER A 41 -4.148 10.603 -8.631 1.00 0.00 N ATOM 656 CA SER A 41 -5.068 10.115 -9.643 1.00 0.00 C ATOM 657 C SER A 41 -5.130 8.586 -9.601 1.00 0.00 C ATOM 658 O SER A 41 -6.127 7.991 -10.007 1.00 0.00 O ATOM 659 CB SER A 41 -4.657 10.591 -11.038 1.00 0.00 C ATOM 660 OG SER A 41 -3.794 9.661 -11.688 1.00 0.00 O ATOM 0 H SER A 41 -3.281 10.996 -8.997 1.00 0.00 H new ATOM 0 HA SER A 41 -6.057 10.519 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.549 10.744 -11.646 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.156 11.556 -10.959 1.00 0.00 H new ATOM 0 HG SER A 41 -3.037 9.452 -11.102 1.00 0.00 H new ATOM 666 N GLU A 42 -4.052 7.996 -9.108 1.00 0.00 N ATOM 667 CA GLU A 42 -3.972 6.548 -9.009 1.00 0.00 C ATOM 668 C GLU A 42 -4.780 6.053 -7.807 1.00 0.00 C ATOM 669 O GLU A 42 -5.230 4.909 -7.788 1.00 0.00 O ATOM 670 CB GLU A 42 -2.515 6.086 -8.917 1.00 0.00 C ATOM 671 CG GLU A 42 -2.279 4.846 -9.783 1.00 0.00 C ATOM 672 CD GLU A 42 -2.376 5.190 -11.271 1.00 0.00 C ATOM 673 OE1 GLU A 42 -2.955 6.226 -11.630 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.822 4.339 -12.065 1.00 0.00 O ATOM 0 H GLU A 42 -3.227 8.493 -8.773 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.401 6.116 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.853 6.890 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.265 5.863 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.296 4.428 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.013 4.079 -9.535 1.00 0.00 H new ATOM 682 N LEU A 43 -4.941 6.941 -6.836 1.00 0.00 N ATOM 683 CA LEU A 43 -5.688 6.607 -5.635 1.00 0.00 C ATOM 684 C LEU A 43 -7.039 6.007 -6.029 1.00 0.00 C ATOM 685 O LEU A 43 -7.381 4.906 -5.603 1.00 0.00 O ATOM 686 CB LEU A 43 -5.801 7.827 -4.720 1.00 0.00 C ATOM 687 CG LEU A 43 -4.529 8.220 -3.964 1.00 0.00 C ATOM 688 CD1 LEU A 43 -4.824 9.295 -2.916 1.00 0.00 C ATOM 689 CD2 LEU A 43 -3.856 6.991 -3.349 1.00 0.00 C ATOM 0 H LEU A 43 -4.567 7.890 -6.857 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.160 5.849 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.120 8.679 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.589 7.638 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.826 8.650 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.904 9.556 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.226 10.181 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.552 8.915 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.955 7.297 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.543 6.511 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.590 6.288 -4.139 1.00 0.00 H new ATOM 701 N GLY A 44 -7.769 6.758 -6.841 1.00 0.00 N ATOM 702 CA GLY A 44 -9.076 6.314 -7.298 1.00 0.00 C ATOM 703 C GLY A 44 -8.993 4.919 -7.922 1.00 0.00 C ATOM 704 O GLY A 44 -9.718 4.011 -7.521 1.00 0.00 O ATOM 0 H GLY A 44 -7.481 7.670 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.773 6.301 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.469 7.021 -8.029 1.00 0.00 H new ATOM 708 N GLN A 45 -8.101 4.794 -8.896 1.00 0.00 N ATOM 709 CA GLN A 45 -7.914 3.525 -9.580 1.00 0.00 C ATOM 710 C GLN A 45 -7.462 2.449 -8.590 1.00 0.00 C ATOM 711 O GLN A 45 -7.766 1.271 -8.767 1.00 0.00 O ATOM 712 CB GLN A 45 -6.916 3.666 -10.731 1.00 0.00 C ATOM 713 CG GLN A 45 -6.917 2.416 -11.613 1.00 0.00 C ATOM 714 CD GLN A 45 -7.544 2.710 -12.979 1.00 0.00 C ATOM 715 OE1 GLN A 45 -6.872 3.069 -13.933 1.00 0.00 O ATOM 716 NE2 GLN A 45 -8.861 2.537 -13.018 1.00 0.00 N ATOM 0 H GLN A 45 -7.501 5.550 -9.227 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.870 3.219 -10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.169 4.540 -11.332 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.916 3.833 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.896 2.060 -11.747 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.471 1.618 -11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.361 2.235 -12.182 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.372 2.706 -13.884 1.00 0.00 H new ATOM 725 N THR A 46 -6.742 2.896 -7.569 1.00 0.00 N ATOM 726 CA THR A 46 -6.246 1.985 -6.552 1.00 0.00 C ATOM 727 C THR A 46 -7.403 1.441 -5.712 1.00 0.00 C ATOM 728 O THR A 46 -7.396 0.276 -5.319 1.00 0.00 O ATOM 729 CB THR A 46 -5.193 2.728 -5.727 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.145 2.990 -6.656 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.541 1.835 -4.670 1.00 0.00 C ATOM 0 H THR A 46 -6.492 3.874 -7.426 1.00 0.00 H new ATOM 0 HA THR A 46 -5.773 1.111 -7.000 1.00 0.00 H new ATOM 0 HB THR A 46 -5.653 3.588 -5.241 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.459 3.626 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.802 2.411 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.304 1.465 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.052 0.992 -5.158 1.00 0.00 H new ATOM 739 N GLU A 47 -8.370 2.311 -5.461 1.00 0.00 N ATOM 740 CA GLU A 47 -9.532 1.932 -4.675 1.00 0.00 C ATOM 741 C GLU A 47 -10.409 0.955 -5.461 1.00 0.00 C ATOM 742 O GLU A 47 -10.979 0.027 -4.889 1.00 0.00 O ATOM 743 CB GLU A 47 -10.332 3.165 -4.248 1.00 0.00 C ATOM 744 CG GLU A 47 -11.257 2.840 -3.075 1.00 0.00 C ATOM 745 CD GLU A 47 -12.360 3.891 -2.939 1.00 0.00 C ATOM 746 OE1 GLU A 47 -13.271 3.946 -3.779 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.251 4.668 -1.914 1.00 0.00 O ATOM 0 H GLU A 47 -8.373 3.277 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.186 1.433 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.649 3.966 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.921 3.530 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.703 1.856 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.678 2.794 -2.153 1.00 0.00 H new ATOM 755 N LYS A 48 -10.492 1.198 -6.761 1.00 0.00 N ATOM 756 CA LYS A 48 -11.290 0.352 -7.631 1.00 0.00 C ATOM 757 C LYS A 48 -10.625 -1.021 -7.750 1.00 0.00 C ATOM 758 O LYS A 48 -11.306 -2.036 -7.882 1.00 0.00 O ATOM 759 CB LYS A 48 -11.528 1.039 -8.977 1.00 0.00 C ATOM 760 CG LYS A 48 -12.244 0.103 -9.953 1.00 0.00 C ATOM 761 CD LYS A 48 -13.219 0.878 -10.841 1.00 0.00 C ATOM 762 CE LYS A 48 -14.634 0.307 -10.729 1.00 0.00 C ATOM 763 NZ LYS A 48 -15.280 0.764 -9.478 1.00 0.00 N ATOM 0 H LYS A 48 -10.019 1.969 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.279 0.192 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.123 1.940 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.575 1.353 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.510 -0.411 -10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.784 -0.664 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.223 1.929 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.886 0.834 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.228 0.620 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.596 -0.782 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.240 0.367 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.721 0.444 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.334 1.803 -9.474 1.00 0.00 H new ATOM 776 N TRP A 49 -9.300 -1.008 -7.701 1.00 0.00 N ATOM 777 CA TRP A 49 -8.536 -2.239 -7.802 1.00 0.00 C ATOM 778 C TRP A 49 -8.631 -2.967 -6.459 1.00 0.00 C ATOM 779 O TRP A 49 -8.541 -4.191 -6.405 1.00 0.00 O ATOM 780 CB TRP A 49 -7.094 -1.955 -8.227 1.00 0.00 C ATOM 781 CG TRP A 49 -6.958 -1.445 -9.663 1.00 0.00 C ATOM 782 CD1 TRP A 49 -7.933 -1.218 -10.554 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.731 -1.103 -10.342 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.426 -0.760 -11.753 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.043 -0.687 -11.619 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.400 -1.146 -9.891 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.081 -0.281 -12.551 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.449 -0.737 -10.834 1.00 0.00 C ATOM 789 CH2 TRP A 49 -3.749 -0.315 -12.124 1.00 0.00 C ATOM 0 H TRP A 49 -8.737 -0.164 -7.593 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.947 -2.885 -8.578 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.664 -1.218 -7.548 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.508 -2.868 -8.119 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.984 -1.374 -10.358 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.966 -0.519 -12.584 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.132 -1.469 -8.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.352 0.041 -13.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.410 -0.750 -10.538 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.957 -0.015 -12.794 1.00 0.00 H new ATOM 800 N ALA A 50 -8.811 -2.180 -5.408 1.00 0.00 N ATOM 801 CA ALA A 50 -8.919 -2.734 -4.069 1.00 0.00 C ATOM 802 C ALA A 50 -10.290 -3.393 -3.904 1.00 0.00 C ATOM 803 O ALA A 50 -10.539 -4.070 -2.908 1.00 0.00 O ATOM 804 CB ALA A 50 -8.675 -1.629 -3.038 1.00 0.00 C ATOM 0 H ALA A 50 -8.885 -1.164 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.162 -3.502 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.756 -2.044 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.677 -1.213 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.418 -0.842 -3.166 1.00 0.00 H new ATOM 810 N GLN A 51 -11.140 -3.173 -4.894 1.00 0.00 N ATOM 811 CA GLN A 51 -12.479 -3.738 -4.872 1.00 0.00 C ATOM 812 C GLN A 51 -12.567 -4.934 -5.821 1.00 0.00 C ATOM 813 O GLN A 51 -13.493 -5.738 -5.729 1.00 0.00 O ATOM 814 CB GLN A 51 -13.527 -2.680 -5.224 1.00 0.00 C ATOM 815 CG GLN A 51 -13.816 -1.774 -4.025 1.00 0.00 C ATOM 816 CD GLN A 51 -15.282 -1.877 -3.602 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.064 -0.952 -3.749 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.610 -3.051 -3.068 1.00 0.00 N ATOM 0 H GLN A 51 -10.928 -2.611 -5.718 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.688 -4.086 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.175 -2.079 -6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.447 -3.168 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.172 -2.053 -3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.579 -0.741 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.906 -3.783 -2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.565 -3.219 -2.753 1.00 0.00 H new ATOM 827 N ASP A 52 -11.590 -5.014 -6.715 1.00 0.00 N ATOM 828 CA ASP A 52 -11.546 -6.097 -7.680 1.00 0.00 C ATOM 829 C ASP A 52 -11.530 -7.435 -6.938 1.00 0.00 C ATOM 830 O ASP A 52 -10.725 -7.636 -6.030 1.00 0.00 O ATOM 831 CB ASP A 52 -10.282 -6.019 -8.539 1.00 0.00 C ATOM 832 CG ASP A 52 -9.871 -7.333 -9.205 1.00 0.00 C ATOM 833 OD1 ASP A 52 -10.710 -8.063 -9.752 1.00 0.00 O ATOM 834 OD2 ASP A 52 -8.609 -7.602 -9.146 1.00 0.00 O ATOM 0 H ASP A 52 -10.824 -4.345 -6.790 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.424 -6.013 -8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.434 -5.268 -9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.458 -5.672 -7.916 1.00 0.00 H new ATOM 840 N ALA A 53 -12.430 -8.316 -7.352 1.00 0.00 N ATOM 841 CA ALA A 53 -12.530 -9.629 -6.738 1.00 0.00 C ATOM 842 C ALA A 53 -11.188 -10.352 -6.871 1.00 0.00 C ATOM 843 O ALA A 53 -10.670 -10.891 -5.894 1.00 0.00 O ATOM 844 CB ALA A 53 -13.678 -10.408 -7.381 1.00 0.00 C ATOM 0 H ALA A 53 -13.096 -8.146 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.753 -9.540 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.753 -11.393 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.613 -9.867 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.488 -10.520 -8.448 1.00 0.00 H new ATOM 850 N LYS A 54 -10.664 -10.341 -8.088 1.00 0.00 N ATOM 851 CA LYS A 54 -9.393 -10.991 -8.360 1.00 0.00 C ATOM 852 C LYS A 54 -8.366 -10.550 -7.316 1.00 0.00 C ATOM 853 O LYS A 54 -7.553 -11.354 -6.862 1.00 0.00 O ATOM 854 CB LYS A 54 -8.956 -10.725 -9.802 1.00 0.00 C ATOM 855 CG LYS A 54 -9.458 -11.825 -10.739 1.00 0.00 C ATOM 856 CD LYS A 54 -8.289 -12.599 -11.355 1.00 0.00 C ATOM 857 CE LYS A 54 -8.772 -13.896 -12.006 1.00 0.00 C ATOM 858 NZ LYS A 54 -8.718 -15.013 -11.037 1.00 0.00 N ATOM 0 H LYS A 54 -11.096 -9.893 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.491 -12.073 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.341 -9.759 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.869 -10.668 -9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.102 -12.510 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.064 -11.384 -11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.789 -11.979 -12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.553 -12.827 -10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.792 -13.770 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.152 -14.128 -12.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.049 -15.886 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.739 -15.143 -10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.328 -14.796 -10.223 1.00 0.00 H new ATOM 871 N PHE A 55 -8.436 -9.275 -6.964 1.00 0.00 N ATOM 872 CA PHE A 55 -7.522 -8.717 -5.981 1.00 0.00 C ATOM 873 C PHE A 55 -7.903 -9.160 -4.567 1.00 0.00 C ATOM 874 O PHE A 55 -7.045 -9.259 -3.691 1.00 0.00 O ATOM 875 CB PHE A 55 -7.637 -7.196 -6.076 1.00 0.00 C ATOM 876 CG PHE A 55 -6.345 -6.500 -6.507 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.179 -6.768 -5.859 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.361 -5.614 -7.539 1.00 0.00 C ATOM 879 CE1 PHE A 55 -3.979 -6.121 -6.261 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.161 -4.969 -7.940 1.00 0.00 C ATOM 881 CZ PHE A 55 -3.996 -5.236 -7.292 1.00 0.00 C ATOM 0 H PHE A 55 -9.112 -8.611 -7.342 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.506 -9.060 -6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.426 -6.945 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.943 -6.804 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.165 -7.472 -5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.286 -5.401 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.053 -6.333 -5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.174 -4.266 -8.760 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.084 -4.745 -7.597 1.00 0.00 H new ATOM 891 N SER A 56 -9.191 -9.412 -4.387 1.00 0.00 N ATOM 892 CA SER A 56 -9.697 -9.841 -3.094 1.00 0.00 C ATOM 893 C SER A 56 -8.807 -10.947 -2.524 1.00 0.00 C ATOM 894 O SER A 56 -8.526 -10.968 -1.327 1.00 0.00 O ATOM 895 CB SER A 56 -11.144 -10.327 -3.201 1.00 0.00 C ATOM 896 OG SER A 56 -11.935 -9.894 -2.097 1.00 0.00 O ATOM 0 H SER A 56 -9.900 -9.327 -5.115 1.00 0.00 H new ATOM 0 HA SER A 56 -9.679 -8.985 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.583 -9.958 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.158 -11.416 -3.252 1.00 0.00 H new ATOM 0 HG SER A 56 -12.852 -10.223 -2.203 1.00 0.00 H new ATOM 902 N SER A 57 -8.386 -11.839 -3.409 1.00 0.00 N ATOM 903 CA SER A 57 -7.534 -12.946 -3.010 1.00 0.00 C ATOM 904 C SER A 57 -6.501 -12.468 -1.986 1.00 0.00 C ATOM 905 O SER A 57 -6.403 -13.023 -0.894 1.00 0.00 O ATOM 906 CB SER A 57 -6.832 -13.566 -4.221 1.00 0.00 C ATOM 907 OG SER A 57 -6.059 -14.707 -3.862 1.00 0.00 O ATOM 0 H SER A 57 -8.619 -11.817 -4.402 1.00 0.00 H new ATOM 0 HA SER A 57 -8.161 -13.713 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.576 -13.851 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.186 -12.822 -4.686 1.00 0.00 H new ATOM 0 HG SER A 57 -5.628 -15.075 -4.662 1.00 0.00 H new ATOM 913 N ALA A 58 -5.758 -11.443 -2.377 1.00 0.00 N ATOM 914 CA ALA A 58 -4.737 -10.884 -1.507 1.00 0.00 C ATOM 915 C ALA A 58 -5.213 -9.532 -0.973 1.00 0.00 C ATOM 916 O ALA A 58 -6.174 -8.961 -1.485 1.00 0.00 O ATOM 917 CB ALA A 58 -3.417 -10.778 -2.272 1.00 0.00 C ATOM 0 H ALA A 58 -5.843 -10.985 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.565 -11.534 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.651 -10.359 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.108 -11.769 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.550 -10.130 -3.139 1.00 0.00 H new ATOM 923 N ASN A 59 -4.518 -9.057 0.050 1.00 0.00 N ATOM 924 CA ASN A 59 -4.857 -7.782 0.659 1.00 0.00 C ATOM 925 C ASN A 59 -4.104 -6.661 -0.062 1.00 0.00 C ATOM 926 O ASN A 59 -2.893 -6.747 -0.255 1.00 0.00 O ATOM 927 CB ASN A 59 -4.451 -7.752 2.134 1.00 0.00 C ATOM 928 CG ASN A 59 -5.016 -8.960 2.883 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.526 -9.902 2.301 1.00 0.00 O ATOM 930 ND2 ASN A 59 -4.896 -8.880 4.205 1.00 0.00 N ATOM 0 H ASN A 59 -3.721 -9.533 0.473 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.935 -7.645 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.364 -7.745 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.811 -6.833 2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.242 -9.637 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.458 -8.062 4.629 1.00 0.00 H new ATOM 937 N LEU A 60 -4.855 -5.637 -0.441 1.00 0.00 N ATOM 938 CA LEU A 60 -4.274 -4.501 -1.136 1.00 0.00 C ATOM 939 C LEU A 60 -4.437 -3.245 -0.277 1.00 0.00 C ATOM 940 O LEU A 60 -5.547 -2.911 0.134 1.00 0.00 O ATOM 941 CB LEU A 60 -4.871 -4.369 -2.539 1.00 0.00 C ATOM 942 CG LEU A 60 -4.308 -3.240 -3.404 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.825 -3.338 -4.840 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.602 -1.874 -2.782 1.00 0.00 C ATOM 0 H LEU A 60 -5.860 -5.570 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.204 -4.650 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.723 -5.312 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.947 -4.224 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.224 -3.350 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.409 -2.523 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.522 -4.292 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.913 -3.269 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.191 -1.089 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.680 -1.740 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.145 -1.818 -1.794 1.00 0.00 H new ATOM 956 N ILE A 61 -3.317 -2.583 -0.034 1.00 0.00 N ATOM 957 CA ILE A 61 -3.322 -1.372 0.768 1.00 0.00 C ATOM 958 C ILE A 61 -2.131 -0.496 0.371 1.00 0.00 C ATOM 959 O ILE A 61 -1.185 -0.976 -0.252 1.00 0.00 O ATOM 960 CB ILE A 61 -3.363 -1.715 2.257 1.00 0.00 C ATOM 961 CG1 ILE A 61 -2.031 -2.309 2.720 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.542 -2.636 2.576 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.162 -1.249 3.400 1.00 0.00 C ATOM 0 H ILE A 61 -2.398 -2.862 -0.379 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.224 -0.791 0.574 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.516 -0.791 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.217 -3.130 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.499 -2.726 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.547 -2.864 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.474 -2.140 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.445 -3.561 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.222 -1.699 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.958 -0.441 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.687 -0.851 4.269 1.00 0.00 H new ATOM 975 N THR A 62 -2.216 0.771 0.747 1.00 0.00 N ATOM 976 CA THR A 62 -1.158 1.716 0.438 1.00 0.00 C ATOM 977 C THR A 62 -0.440 2.149 1.717 1.00 0.00 C ATOM 978 O THR A 62 -1.051 2.226 2.783 1.00 0.00 O ATOM 979 CB THR A 62 -1.776 2.883 -0.335 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.653 3.497 0.604 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.703 2.414 -1.458 1.00 0.00 C ATOM 0 H THR A 62 -3.002 1.165 1.263 1.00 0.00 H new ATOM 0 HA THR A 62 -0.393 1.260 -0.190 1.00 0.00 H new ATOM 0 HB THR A 62 -0.982 3.502 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.469 2.961 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.115 3.280 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.139 1.804 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.516 1.823 -1.036 1.00 0.00 H new ATOM 989 N VAL A 63 0.850 2.418 1.571 1.00 0.00 N ATOM 990 CA VAL A 63 1.659 2.841 2.703 1.00 0.00 C ATOM 991 C VAL A 63 2.173 4.261 2.454 1.00 0.00 C ATOM 992 O VAL A 63 2.483 4.622 1.320 1.00 0.00 O ATOM 993 CB VAL A 63 2.783 1.834 2.948 1.00 0.00 C ATOM 994 CG1 VAL A 63 4.031 2.526 3.501 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.320 0.711 3.879 1.00 0.00 C ATOM 0 H VAL A 63 1.355 2.351 0.687 1.00 0.00 H new ATOM 0 HA VAL A 63 1.059 2.866 3.613 1.00 0.00 H new ATOM 0 HB VAL A 63 3.046 1.387 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.814 1.786 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.380 3.271 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.788 3.014 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.138 0.009 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.015 1.134 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.476 0.189 3.428 1.00 0.00 H new ATOM 1005 N ALA A 64 2.246 5.026 3.532 1.00 0.00 N ATOM 1006 CA ALA A 64 2.718 6.398 3.445 1.00 0.00 C ATOM 1007 C ALA A 64 3.712 6.665 4.577 1.00 0.00 C ATOM 1008 O ALA A 64 3.576 6.116 5.671 1.00 0.00 O ATOM 1009 CB ALA A 64 1.521 7.352 3.485 1.00 0.00 C ATOM 0 H ALA A 64 1.986 4.723 4.471 1.00 0.00 H new ATOM 0 HA ALA A 64 3.239 6.565 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.874 8.381 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.860 7.141 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.976 7.214 4.419 1.00 0.00 H new ATOM 1015 N SER A 65 4.690 7.506 4.277 1.00 0.00 N ATOM 1016 CA SER A 65 5.708 7.850 5.256 1.00 0.00 C ATOM 1017 C SER A 65 5.697 9.358 5.512 1.00 0.00 C ATOM 1018 O SER A 65 6.114 10.139 4.659 1.00 0.00 O ATOM 1019 CB SER A 65 7.094 7.401 4.790 1.00 0.00 C ATOM 1020 OG SER A 65 7.443 7.966 3.528 1.00 0.00 O ATOM 0 H SER A 65 4.800 7.960 3.370 1.00 0.00 H new ATOM 0 HA SER A 65 5.480 7.328 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.837 7.689 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.118 6.314 4.719 1.00 0.00 H new ATOM 0 HG SER A 65 8.362 7.715 3.300 1.00 0.00 H new ATOM 1026 N PRO A 66 5.202 9.732 6.722 1.00 0.00 N ATOM 1027 CA PRO A 66 5.132 11.133 7.102 1.00 0.00 C ATOM 1028 C PRO A 66 6.517 11.674 7.462 1.00 0.00 C ATOM 1029 O PRO A 66 7.285 11.010 8.157 1.00 0.00 O ATOM 1030 CB PRO A 66 4.155 11.175 8.267 1.00 0.00 C ATOM 1031 CG PRO A 66 4.074 9.752 8.795 1.00 0.00 C ATOM 1032 CD PRO A 66 4.699 8.834 7.759 1.00 0.00 C ATOM 0 HA PRO A 66 4.790 11.773 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.500 11.860 9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.176 11.528 7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.599 9.667 9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.037 9.471 8.978 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.503 8.239 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.966 8.135 7.356 1.00 0.00 H new ATOM 1040 N GLY A 67 6.794 12.873 6.975 1.00 0.00 N ATOM 1041 CA GLY A 67 8.072 13.512 7.236 1.00 0.00 C ATOM 1042 C GLY A 67 9.195 12.831 6.451 1.00 0.00 C ATOM 1043 O GLY A 67 10.368 13.159 6.627 1.00 0.00 O ATOM 0 H GLY A 67 6.154 13.420 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.019 14.566 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.292 13.471 8.303 1.00 0.00 H new ATOM 1047 N PHE A 68 8.797 11.896 5.600 1.00 0.00 N ATOM 1048 CA PHE A 68 9.755 11.167 4.787 1.00 0.00 C ATOM 1049 C PHE A 68 9.499 11.400 3.297 1.00 0.00 C ATOM 1050 O PHE A 68 8.384 11.204 2.817 1.00 0.00 O ATOM 1051 CB PHE A 68 9.566 9.681 5.099 1.00 0.00 C ATOM 1052 CG PHE A 68 10.604 8.770 4.439 1.00 0.00 C ATOM 1053 CD1 PHE A 68 10.396 8.304 3.179 1.00 0.00 C ATOM 1054 CD2 PHE A 68 11.734 8.427 5.113 1.00 0.00 C ATOM 1055 CE1 PHE A 68 11.358 7.459 2.566 1.00 0.00 C ATOM 1056 CE2 PHE A 68 12.696 7.581 4.500 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.488 7.116 3.240 1.00 0.00 C ATOM 0 H PHE A 68 7.824 11.627 5.456 1.00 0.00 H new ATOM 0 HA PHE A 68 10.767 11.505 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.607 9.539 6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.571 9.376 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.498 8.577 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.900 8.798 6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.192 7.089 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.593 7.307 5.035 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.221 6.474 2.774 1.00 0.00 H new ATOM 1067 N LEU A 69 10.551 11.813 2.606 1.00 0.00 N ATOM 1068 CA LEU A 69 10.454 12.076 1.179 1.00 0.00 C ATOM 1069 C LEU A 69 9.590 13.317 0.951 1.00 0.00 C ATOM 1070 O LEU A 69 8.682 13.301 0.121 1.00 0.00 O ATOM 1071 CB LEU A 69 9.954 10.832 0.440 1.00 0.00 C ATOM 1072 CG LEU A 69 10.860 10.304 -0.673 1.00 0.00 C ATOM 1073 CD1 LEU A 69 12.222 9.880 -0.116 1.00 0.00 C ATOM 1074 CD2 LEU A 69 10.179 9.173 -1.444 1.00 0.00 C ATOM 0 H LEU A 69 11.475 11.972 3.007 1.00 0.00 H new ATOM 0 HA LEU A 69 11.438 12.293 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.806 10.036 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.978 11.057 0.011 1.00 0.00 H new ATOM 0 HG LEU A 69 11.039 11.113 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.847 9.508 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.706 10.737 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.083 9.092 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.845 8.816 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.950 8.354 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.256 9.542 -1.891 1.00 0.00 H new ATOM 1086 N HIS A 70 9.903 14.363 1.702 1.00 0.00 N ATOM 1087 CA HIS A 70 9.167 15.610 1.591 1.00 0.00 C ATOM 1088 C HIS A 70 7.667 15.334 1.711 1.00 0.00 C ATOM 1089 O HIS A 70 6.847 16.116 1.231 1.00 0.00 O ATOM 1090 CB HIS A 70 9.532 16.346 0.299 1.00 0.00 C ATOM 1091 CG HIS A 70 10.079 17.736 0.518 1.00 0.00 C ATOM 1092 ND1 HIS A 70 9.409 18.698 1.254 1.00 0.00 N ATOM 1093 CD2 HIS A 70 11.236 18.316 0.090 1.00 0.00 C ATOM 1094 CE1 HIS A 70 10.138 19.802 1.262 1.00 0.00 C ATOM 1095 NE2 HIS A 70 11.271 19.565 0.539 1.00 0.00 N ATOM 0 H HIS A 70 10.656 14.372 2.390 1.00 0.00 H new ATOM 0 HA HIS A 70 9.446 16.273 2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.270 15.758 -0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.646 16.411 -0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.996 17.840 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.881 20.728 1.754 1.00 0.00 H new ATOM 0 HE2 HIS A 70 12.021 20.236 0.371 1.00 0.00 H new ATOM 1104 N GLU A 71 7.353 14.217 2.352 1.00 0.00 N ATOM 1105 CA GLU A 71 5.966 13.828 2.541 1.00 0.00 C ATOM 1106 C GLU A 71 5.333 14.646 3.668 1.00 0.00 C ATOM 1107 O GLU A 71 6.023 15.074 4.592 1.00 0.00 O ATOM 1108 CB GLU A 71 5.852 12.328 2.821 1.00 0.00 C ATOM 1109 CG GLU A 71 4.418 11.949 3.200 1.00 0.00 C ATOM 1110 CD GLU A 71 3.480 12.083 1.999 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.143 13.208 1.599 1.00 0.00 O ATOM 1112 OE2 GLU A 71 3.101 10.967 1.475 1.00 0.00 O ATOM 0 H GLU A 71 8.035 13.570 2.747 1.00 0.00 H new ATOM 0 HA GLU A 71 5.422 14.035 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.160 11.765 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.530 12.052 3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.395 10.925 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.071 12.590 4.010 1.00 0.00 H new ATOM 1120 N LYS A 72 4.027 14.839 3.554 1.00 0.00 N ATOM 1121 CA LYS A 72 3.293 15.598 4.553 1.00 0.00 C ATOM 1122 C LYS A 72 3.561 15.005 5.937 1.00 0.00 C ATOM 1123 O LYS A 72 3.472 13.792 6.124 1.00 0.00 O ATOM 1124 CB LYS A 72 1.809 15.668 4.190 1.00 0.00 C ATOM 1125 CG LYS A 72 1.458 17.022 3.571 1.00 0.00 C ATOM 1126 CD LYS A 72 1.906 17.090 2.110 1.00 0.00 C ATOM 1127 CE LYS A 72 2.953 18.188 1.907 1.00 0.00 C ATOM 1128 NZ LYS A 72 3.270 18.344 0.471 1.00 0.00 N ATOM 0 H LYS A 72 3.458 14.483 2.786 1.00 0.00 H new ATOM 0 HA LYS A 72 3.640 16.631 4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.565 14.870 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.205 15.505 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.382 17.186 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.936 17.820 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.320 16.128 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.044 17.282 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.582 19.131 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.859 17.941 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.248 18.681 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.166 17.427 -0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.619 19.034 0.045 1.00 0.00 H new ATOM 1141 N LYS A 73 3.882 15.886 6.873 1.00 0.00 N ATOM 1142 CA LYS A 73 4.163 15.464 8.234 1.00 0.00 C ATOM 1143 C LYS A 73 2.911 14.820 8.832 1.00 0.00 C ATOM 1144 O LYS A 73 1.791 15.201 8.495 1.00 0.00 O ATOM 1145 CB LYS A 73 4.705 16.635 9.057 1.00 0.00 C ATOM 1146 CG LYS A 73 5.335 16.143 10.361 1.00 0.00 C ATOM 1147 CD LYS A 73 6.807 16.550 10.447 1.00 0.00 C ATOM 1148 CE LYS A 73 7.580 15.622 11.386 1.00 0.00 C ATOM 1149 NZ LYS A 73 8.218 16.398 12.473 1.00 0.00 N ATOM 0 H LYS A 73 3.954 16.891 6.715 1.00 0.00 H new ATOM 0 HA LYS A 73 4.947 14.707 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.447 17.181 8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.897 17.332 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.790 16.555 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.250 15.058 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.254 16.522 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.883 17.578 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.904 14.879 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.340 15.078 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.738 15.753 13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.878 17.090 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.487 16.897 13.019 1.00 0.00 H new ATOM 1162 N ASP A 74 3.142 13.854 9.709 1.00 0.00 N ATOM 1163 CA ASP A 74 2.047 13.153 10.357 1.00 0.00 C ATOM 1164 C ASP A 74 1.068 14.173 10.940 1.00 0.00 C ATOM 1165 O ASP A 74 1.463 15.278 11.311 1.00 0.00 O ATOM 1166 CB ASP A 74 2.556 12.276 11.504 1.00 0.00 C ATOM 1167 CG ASP A 74 1.517 11.954 12.581 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.608 11.141 12.367 1.00 0.00 O ATOM 1169 OD2 ASP A 74 1.672 12.587 13.693 1.00 0.00 O ATOM 0 H ASP A 74 4.072 13.540 9.986 1.00 0.00 H new ATOM 0 HA ASP A 74 1.561 12.524 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.929 11.340 11.088 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.403 12.775 11.975 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.191 13.768 11.005 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.230 14.634 11.537 1.00 0.00 C ATOM 1177 C GLY A 75 -1.794 15.548 10.447 1.00 0.00 C ATOM 1178 O GLY A 75 -3.008 15.655 10.290 1.00 0.00 O ATOM 0 H GLY A 75 -0.516 12.851 10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.032 14.029 11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.825 15.238 12.349 1.00 0.00 H new ATOM 1182 N ASP A 76 -0.883 16.184 9.724 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.274 17.086 8.654 1.00 0.00 C ATOM 1184 C ASP A 76 -1.841 16.272 7.489 1.00 0.00 C ATOM 1185 O ASP A 76 -2.778 16.708 6.821 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.073 17.879 8.135 1.00 0.00 C ATOM 1187 CG ASP A 76 0.363 19.045 9.023 1.00 0.00 C ATOM 1188 OD1 ASP A 76 0.484 20.190 8.560 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.586 18.739 10.255 1.00 0.00 O ATOM 0 H ASP A 76 0.124 16.092 9.858 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.018 17.777 9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.769 17.198 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.312 18.266 7.144 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.251 15.104 7.280 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.686 14.225 6.208 1.00 0.00 C ATOM 1197 C PHE A 77 -2.970 13.487 6.591 1.00 0.00 C ATOM 1198 O PHE A 77 -3.977 13.583 5.892 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.570 13.203 5.987 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.990 11.995 5.146 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -2.067 12.083 4.322 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -0.284 10.835 5.223 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -2.457 10.962 3.542 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -0.674 9.714 4.442 1.00 0.00 C ATOM 1205 CZ PHE A 77 -1.752 9.801 3.618 1.00 0.00 C ATOM 0 H PHE A 77 -0.474 14.746 7.836 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.888 14.807 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.270 13.698 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.215 12.852 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.626 13.005 4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.572 10.766 5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.314 11.031 2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.114 8.793 4.503 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.048 8.949 3.024 1.00 0.00 H new ATOM 1215 N GLN A 78 -2.892 12.768 7.701 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.036 12.014 8.185 1.00 0.00 C ATOM 1217 C GLN A 78 -5.273 12.911 8.254 1.00 0.00 C ATOM 1218 O GLN A 78 -6.401 12.425 8.180 1.00 0.00 O ATOM 1219 CB GLN A 78 -3.740 11.383 9.548 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.415 12.455 10.589 1.00 0.00 C ATOM 1221 CD GLN A 78 -2.970 11.820 11.909 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -1.794 11.734 12.221 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -3.974 11.382 12.662 1.00 0.00 N ATOM 0 H GLN A 78 -2.055 12.692 8.279 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.237 11.205 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.600 10.800 9.877 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.902 10.692 9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.628 13.107 10.211 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.292 13.080 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.936 11.486 12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.782 10.942 13.562 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.020 14.204 8.395 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.099 15.173 8.475 1.00 0.00 C ATOM 1234 C LYS A 79 -6.650 15.433 7.072 1.00 0.00 C ATOM 1235 O LYS A 79 -7.861 15.396 6.859 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.630 16.439 9.195 1.00 0.00 C ATOM 1237 CG LYS A 79 -5.921 16.355 10.696 1.00 0.00 C ATOM 1238 CD LYS A 79 -5.014 17.303 11.484 1.00 0.00 C ATOM 1239 CE LYS A 79 -5.837 18.353 12.232 1.00 0.00 C ATOM 1240 NZ LYS A 79 -4.957 19.416 12.768 1.00 0.00 N ATOM 0 H LYS A 79 -4.083 14.603 8.456 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.921 14.779 9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.561 16.578 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.131 17.309 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.965 16.606 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.773 15.332 11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.414 16.733 12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.320 17.797 10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.577 18.789 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.385 17.881 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.532 20.121 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.267 18.998 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.453 19.878 11.984 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.734 15.692 6.150 1.00 0.00 N ATOM 1254 CA TRP A 80 -6.113 15.956 4.771 1.00 0.00 C ATOM 1255 C TRP A 80 -6.976 14.791 4.286 1.00 0.00 C ATOM 1256 O TRP A 80 -8.062 15.002 3.745 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.878 16.192 3.899 1.00 0.00 C ATOM 1258 CG TRP A 80 -5.148 16.085 2.397 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -6.054 16.756 1.672 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -4.467 15.226 1.460 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -6.006 16.394 0.341 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -5.010 15.434 0.209 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -3.424 14.304 1.662 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -4.575 14.757 -0.938 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -3.003 13.636 0.507 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -3.539 13.833 -0.760 1.00 0.00 C ATOM 0 H TRP A 80 -4.731 15.725 6.330 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.698 16.873 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -4.476 17.182 4.116 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.109 15.469 4.172 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.736 17.488 2.078 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.593 16.763 -0.407 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.983 14.126 2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -5.015 14.938 -1.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -2.204 12.916 0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -3.158 13.276 -1.603 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.043 4.472 1.163 1.00 0.00 N ATOM 1384 CA LYS A 88 -12.992 3.042 0.919 1.00 0.00 C ATOM 1385 C LYS A 88 -11.605 2.669 0.388 1.00 0.00 C ATOM 1386 O LYS A 88 -11.382 1.535 -0.032 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.137 2.613 0.000 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.375 2.228 0.810 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.258 1.249 0.032 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.313 0.619 0.944 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.632 1.257 0.730 1.00 0.00 N ATOM 0 HA LYS A 88 -13.138 2.492 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.383 3.426 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.820 1.768 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.070 1.777 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.947 3.123 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.748 1.770 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.640 0.467 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.383 -0.450 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.014 0.730 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.336 0.817 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.565 2.273 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.923 1.129 -0.260 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.711 3.646 0.426 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.353 3.435 -0.046 1.00 0.00 C ATOM 1406 C LEU A 89 -8.439 3.159 1.151 1.00 0.00 C ATOM 1407 O LEU A 89 -8.428 3.921 2.117 1.00 0.00 O ATOM 1408 CB LEU A 89 -8.897 4.613 -0.909 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.385 4.831 -0.999 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -6.731 3.778 -1.895 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.064 6.256 -1.459 1.00 0.00 C ATOM 0 H LEU A 89 -10.900 4.585 0.776 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.306 2.559 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.285 4.471 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.353 5.523 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.962 4.711 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.657 3.956 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.917 2.785 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.153 3.841 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.983 6.386 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.501 6.428 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.479 6.970 -0.747 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.676 2.039 1.044 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.760 1.654 2.105 1.00 0.00 C ATOM 1425 C PRO A 90 -5.516 2.545 2.108 1.00 0.00 C ATOM 1426 O PRO A 90 -4.866 2.711 1.077 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.444 0.191 1.840 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.819 -0.060 0.389 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.661 1.113 -0.084 1.00 0.00 C ATOM 0 HA PRO A 90 -7.190 1.781 3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.388 -0.018 2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.010 -0.458 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.924 -0.160 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.376 -0.992 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.230 1.577 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.670 0.795 -0.348 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.223 3.093 3.277 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.068 3.962 3.427 1.00 0.00 C ATOM 1439 C VAL A 91 -3.434 3.730 4.800 1.00 0.00 C ATOM 1440 O VAL A 91 -4.092 3.894 5.826 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.476 5.419 3.195 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.444 6.380 3.790 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -4.691 5.699 1.707 1.00 0.00 C ATOM 0 H VAL A 91 -5.765 2.953 4.130 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.313 3.726 2.677 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.424 5.586 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.759 7.408 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.362 6.207 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.475 6.210 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.980 6.741 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.767 5.505 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.480 5.051 1.325 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.165 3.352 4.774 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.436 3.095 6.005 1.00 0.00 C ATOM 1455 C VAL A 92 -0.295 4.107 6.137 1.00 0.00 C ATOM 1456 O VAL A 92 0.496 4.281 5.211 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.952 1.644 6.033 1.00 0.00 C ATOM 1458 CG1 VAL A 92 -0.150 1.359 7.303 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -2.127 0.673 5.897 1.00 0.00 C ATOM 0 H VAL A 92 -1.623 3.217 3.921 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.088 3.224 6.869 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.292 1.493 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.182 0.321 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.718 2.018 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.777 1.535 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.757 -0.352 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.823 0.826 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.640 0.853 4.952 1.00 0.00 H new ATOM 1469 N THR A 93 -0.248 4.748 7.295 1.00 0.00 N ATOM 1470 CA THR A 93 0.783 5.738 7.560 1.00 0.00 C ATOM 1471 C THR A 93 1.829 5.174 8.525 1.00 0.00 C ATOM 1472 O THR A 93 1.516 4.867 9.675 1.00 0.00 O ATOM 1473 CB THR A 93 0.100 7.005 8.077 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.922 6.520 8.944 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.664 7.748 6.979 1.00 0.00 C ATOM 0 H THR A 93 -0.906 4.602 8.060 1.00 0.00 H new ATOM 0 HA THR A 93 1.329 5.993 6.652 1.00 0.00 H new ATOM 0 HB THR A 93 0.848 7.669 8.511 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.537 5.879 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.130 8.639 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.027 8.039 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.434 7.096 6.567 1.00 0.00 H new ATOM 1483 N ASP A 94 3.048 5.055 8.022 1.00 0.00 N ATOM 1484 CA ASP A 94 4.141 4.534 8.825 1.00 0.00 C ATOM 1485 C ASP A 94 5.173 5.641 9.055 1.00 0.00 C ATOM 1486 O ASP A 94 5.846 6.071 8.119 1.00 0.00 O ATOM 1487 CB ASP A 94 4.843 3.375 8.116 1.00 0.00 C ATOM 1488 CG ASP A 94 6.011 2.756 8.886 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.532 3.350 9.842 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.390 1.598 8.463 1.00 0.00 O ATOM 0 H ASP A 94 3.303 5.310 7.068 1.00 0.00 H new ATOM 0 HA ASP A 94 3.726 4.181 9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.109 2.596 7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.210 3.728 7.152 1.00 0.00 H new ATOM 1496 N ASN A 95 5.264 6.071 10.305 1.00 0.00 N ATOM 1497 CA ASN A 95 6.201 7.120 10.670 1.00 0.00 C ATOM 1498 C ASN A 95 7.616 6.694 10.271 1.00 0.00 C ATOM 1499 O ASN A 95 8.131 5.693 10.769 1.00 0.00 O ATOM 1500 CB ASN A 95 6.191 7.368 12.180 1.00 0.00 C ATOM 1501 CG ASN A 95 7.285 8.361 12.580 1.00 0.00 C ATOM 1502 OD1 ASN A 95 8.393 7.994 12.932 1.00 0.00 O ATOM 1503 ND2 ASN A 95 6.910 9.635 12.506 1.00 0.00 N ATOM 0 H ASN A 95 4.704 5.712 11.078 1.00 0.00 H new ATOM 0 HA ASN A 95 5.904 8.032 10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.217 7.753 12.482 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.339 6.426 12.708 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.567 10.375 12.752 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.965 9.872 12.203 1.00 0.00 H new ATOM 1510 N GLY A 96 8.204 7.474 9.377 1.00 0.00 N ATOM 1511 CA GLY A 96 9.550 7.191 8.907 1.00 0.00 C ATOM 1512 C GLY A 96 9.520 6.254 7.696 1.00 0.00 C ATOM 1513 O GLY A 96 10.475 6.206 6.922 1.00 0.00 O ATOM 0 H GLY A 96 7.774 8.302 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.049 8.122 8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.132 6.737 9.709 1.00 0.00 H new ATOM 1517 N GLY A 97 8.417 5.533 7.574 1.00 0.00 N ATOM 1518 CA GLY A 97 8.251 4.600 6.471 1.00 0.00 C ATOM 1519 C GLY A 97 9.152 3.377 6.649 1.00 0.00 C ATOM 1520 O GLY A 97 9.952 3.058 5.771 1.00 0.00 O ATOM 0 H GLY A 97 7.629 5.575 8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.210 4.284 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.488 5.097 5.530 1.00 0.00 H new ATOM 1524 N THR A 98 8.993 2.724 7.790 1.00 0.00 N ATOM 1525 CA THR A 98 9.783 1.543 8.095 1.00 0.00 C ATOM 1526 C THR A 98 9.686 0.530 6.952 1.00 0.00 C ATOM 1527 O THR A 98 10.638 -0.204 6.687 1.00 0.00 O ATOM 1528 CB THR A 98 9.307 0.989 9.440 1.00 0.00 C ATOM 1529 OG1 THR A 98 9.886 1.867 10.400 1.00 0.00 O ATOM 1530 CG2 THR A 98 9.922 -0.375 9.761 1.00 0.00 C ATOM 0 H THR A 98 8.328 2.991 8.516 1.00 0.00 H new ATOM 0 HA THR A 98 10.842 1.787 8.185 1.00 0.00 H new ATOM 0 HB THR A 98 8.220 0.904 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.627 1.582 11.301 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.552 -0.723 10.725 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.645 -1.090 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.008 -0.285 9.800 1.00 0.00 H new ATOM 1538 N ILE A 99 8.529 0.522 6.306 1.00 0.00 N ATOM 1539 CA ILE A 99 8.298 -0.389 5.198 1.00 0.00 C ATOM 1540 C ILE A 99 9.146 0.043 4.001 1.00 0.00 C ATOM 1541 O ILE A 99 9.671 -0.796 3.271 1.00 0.00 O ATOM 1542 CB ILE A 99 6.802 -0.487 4.889 1.00 0.00 C ATOM 1543 CG1 ILE A 99 5.969 -0.345 6.164 1.00 0.00 C ATOM 1544 CG2 ILE A 99 6.481 -1.779 4.135 1.00 0.00 C ATOM 1545 CD1 ILE A 99 6.624 -1.084 7.332 1.00 0.00 C ATOM 0 H ILE A 99 7.742 1.132 6.529 1.00 0.00 H new ATOM 0 HA ILE A 99 8.613 -1.398 5.463 1.00 0.00 H new ATOM 0 HB ILE A 99 6.533 0.342 4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.857 0.710 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.968 -0.741 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.412 -1.823 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.034 -1.799 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.769 -2.636 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.011 -0.967 8.226 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.713 -2.143 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.615 -0.670 7.515 1.00 0.00 H new ATOM 1557 N ALA A 100 9.255 1.353 3.837 1.00 0.00 N ATOM 1558 CA ALA A 100 10.031 1.908 2.740 1.00 0.00 C ATOM 1559 C ALA A 100 11.521 1.806 3.073 1.00 0.00 C ATOM 1560 O ALA A 100 12.335 1.495 2.204 1.00 0.00 O ATOM 1561 CB ALA A 100 9.591 3.350 2.479 1.00 0.00 C ATOM 0 H ALA A 100 8.819 2.046 4.445 1.00 0.00 H new ATOM 0 HA ALA A 100 9.857 1.343 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.174 3.765 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.533 3.366 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.753 3.948 3.376 1.00 0.00 H new ATOM 1567 N GLN A 101 11.833 2.072 4.333 1.00 0.00 N ATOM 1568 CA GLN A 101 13.211 2.015 4.791 1.00 0.00 C ATOM 1569 C GLN A 101 13.680 0.561 4.877 1.00 0.00 C ATOM 1570 O GLN A 101 14.849 0.268 4.629 1.00 0.00 O ATOM 1571 CB GLN A 101 13.371 2.724 6.137 1.00 0.00 C ATOM 1572 CG GLN A 101 13.664 4.211 5.941 1.00 0.00 C ATOM 1573 CD GLN A 101 14.860 4.651 6.790 1.00 0.00 C ATOM 1574 OE1 GLN A 101 14.743 4.949 7.967 1.00 0.00 O ATOM 1575 NE2 GLN A 101 16.013 4.674 6.128 1.00 0.00 N ATOM 0 H GLN A 101 11.155 2.328 5.051 1.00 0.00 H new ATOM 0 HA GLN A 101 13.837 2.537 4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.462 2.603 6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.180 2.261 6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.868 4.410 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.786 4.797 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 101 16.041 4.412 5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.870 4.953 6.606 1.00 0.00 H new ATOM 1584 N SER A 102 12.746 -0.310 5.228 1.00 0.00 N ATOM 1585 CA SER A 102 13.050 -1.725 5.350 1.00 0.00 C ATOM 1586 C SER A 102 13.419 -2.300 3.981 1.00 0.00 C ATOM 1587 O SER A 102 14.277 -3.177 3.883 1.00 0.00 O ATOM 1588 CB SER A 102 11.869 -2.492 5.947 1.00 0.00 C ATOM 1589 OG SER A 102 11.876 -2.460 7.372 1.00 0.00 O ATOM 0 H SER A 102 11.778 -0.063 5.432 1.00 0.00 H new ATOM 0 HA SER A 102 13.899 -1.836 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.936 -2.064 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.900 -3.527 5.608 1.00 0.00 H new ATOM 0 HG SER A 102 11.424 -1.648 7.683 1.00 0.00 H new ATOM 1595 N LEU A 103 12.754 -1.785 2.958 1.00 0.00 N ATOM 1596 CA LEU A 103 13.001 -2.236 1.600 1.00 0.00 C ATOM 1597 C LEU A 103 13.818 -1.178 0.856 1.00 0.00 C ATOM 1598 O LEU A 103 13.951 -1.237 -0.365 1.00 0.00 O ATOM 1599 CB LEU A 103 11.686 -2.597 0.908 1.00 0.00 C ATOM 1600 CG LEU A 103 11.073 -3.944 1.291 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.628 -4.051 0.799 1.00 0.00 C ATOM 1602 CD2 LEU A 103 11.936 -5.103 0.788 1.00 0.00 C ATOM 0 H LEU A 103 12.043 -1.058 3.043 1.00 0.00 H new ATOM 0 HA LEU A 103 13.593 -3.151 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.958 -1.815 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.852 -2.589 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 103 11.048 -4.009 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.217 -5.019 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.031 -3.257 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.605 -3.954 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.477 -6.049 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.016 -5.052 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 103 12.930 -5.034 1.229 1.00 0.00 H new ATOM 1614 N ASN A 104 14.343 -0.235 1.623 1.00 0.00 N ATOM 1615 CA ASN A 104 15.143 0.836 1.052 1.00 0.00 C ATOM 1616 C ASN A 104 14.460 1.359 -0.212 1.00 0.00 C ATOM 1617 O ASN A 104 14.945 1.141 -1.320 1.00 0.00 O ATOM 1618 CB ASN A 104 16.535 0.334 0.664 1.00 0.00 C ATOM 1619 CG ASN A 104 17.284 1.382 -0.165 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.288 2.563 0.138 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.914 0.883 -1.224 1.00 0.00 N ATOM 0 H ASN A 104 14.230 -0.190 2.636 1.00 0.00 H new ATOM 0 HA ASN A 104 15.238 1.623 1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.105 0.101 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.446 -0.591 0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.442 1.500 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.869 -0.117 -1.420 1.00 0.00 H new ATOM 1628 N ILE A 105 13.342 2.042 -0.003 1.00 0.00 N ATOM 1629 CA ILE A 105 12.587 2.597 -1.111 1.00 0.00 C ATOM 1630 C ILE A 105 12.727 4.121 -1.105 1.00 0.00 C ATOM 1631 O ILE A 105 12.922 4.725 -0.052 1.00 0.00 O ATOM 1632 CB ILE A 105 11.136 2.113 -1.069 1.00 0.00 C ATOM 1633 CG1 ILE A 105 11.065 0.586 -1.139 1.00 0.00 C ATOM 1634 CG2 ILE A 105 10.304 2.777 -2.166 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.683 0.082 -0.724 1.00 0.00 C ATOM 0 H ILE A 105 12.943 2.222 0.918 1.00 0.00 H new ATOM 0 HA ILE A 105 12.989 2.242 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 105 10.704 2.412 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.288 0.254 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.824 0.153 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 105 9.277 2.415 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 105 10.315 3.858 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.725 2.532 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.660 -1.006 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.474 0.395 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.928 0.498 -1.392 1.00 0.00 H new ATOM 1647 N SER A 106 12.622 4.699 -2.293 1.00 0.00 N ATOM 1648 CA SER A 106 12.734 6.140 -2.438 1.00 0.00 C ATOM 1649 C SER A 106 12.166 6.576 -3.789 1.00 0.00 C ATOM 1650 O SER A 106 12.609 7.570 -4.361 1.00 0.00 O ATOM 1651 CB SER A 106 14.188 6.595 -2.301 1.00 0.00 C ATOM 1652 OG SER A 106 15.077 5.774 -3.054 1.00 0.00 O ATOM 0 H SER A 106 12.460 4.194 -3.165 1.00 0.00 H new ATOM 0 HA SER A 106 12.158 6.610 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.278 7.628 -2.636 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.477 6.574 -1.250 1.00 0.00 H new ATOM 0 HG SER A 106 15.995 6.098 -2.942 1.00 0.00 H new ATOM 1658 N VAL A 107 11.192 5.811 -4.261 1.00 0.00 N ATOM 1659 CA VAL A 107 10.559 6.106 -5.535 1.00 0.00 C ATOM 1660 C VAL A 107 9.088 5.688 -5.477 1.00 0.00 C ATOM 1661 O VAL A 107 8.771 4.581 -5.044 1.00 0.00 O ATOM 1662 CB VAL A 107 11.329 5.430 -6.671 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.666 3.981 -6.319 1.00 0.00 C ATOM 1664 CG2 VAL A 107 10.547 5.508 -7.985 1.00 0.00 C ATOM 0 H VAL A 107 10.826 4.987 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 107 10.585 7.177 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 107 12.267 5.968 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.213 3.524 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.281 3.959 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.745 3.426 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.116 5.020 -8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.586 5.007 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.381 6.553 -8.248 1.00 0.00 H new ATOM 1674 N TYR A 108 8.230 6.593 -5.921 1.00 0.00 N ATOM 1675 CA TYR A 108 6.800 6.333 -5.926 1.00 0.00 C ATOM 1676 C TYR A 108 6.187 6.666 -7.287 1.00 0.00 C ATOM 1677 O TYR A 108 6.701 7.514 -8.013 1.00 0.00 O ATOM 1678 CB TYR A 108 6.199 7.260 -4.868 1.00 0.00 C ATOM 1679 CG TYR A 108 6.710 6.999 -3.449 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.081 5.724 -3.073 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.799 8.039 -2.546 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.562 5.478 -1.738 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.280 7.793 -1.211 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.639 6.526 -0.872 1.00 0.00 C ATOM 1685 OH TYR A 108 8.092 6.294 0.388 1.00 0.00 O ATOM 0 H TYR A 108 8.497 7.509 -6.281 1.00 0.00 H new ATOM 0 HA TYR A 108 6.601 5.281 -5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.418 8.293 -5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.114 7.151 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.011 4.911 -3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.508 9.037 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.855 4.485 -1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.354 8.598 -0.494 1.00 0.00 H new ATOM 0 HH TYR A 108 8.094 7.133 0.894 1.00 0.00 H new ATOM 1695 N PRO A 109 5.065 5.963 -7.599 1.00 0.00 N ATOM 1696 CA PRO A 109 4.521 4.975 -6.682 1.00 0.00 C ATOM 1697 C PRO A 109 5.366 3.699 -6.685 1.00 0.00 C ATOM 1698 O PRO A 109 6.269 3.550 -7.507 1.00 0.00 O ATOM 1699 CB PRO A 109 3.094 4.746 -7.152 1.00 0.00 C ATOM 1700 CG PRO A 109 3.040 5.258 -8.582 1.00 0.00 C ATOM 1701 CD PRO A 109 4.289 6.087 -8.829 1.00 0.00 C ATOM 0 HA PRO A 109 4.535 5.310 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 109 2.832 3.689 -7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.384 5.279 -6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 109 2.990 4.425 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.145 5.861 -8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.847 5.716 -9.689 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.039 7.127 -9.036 1.00 0.00 H new ATOM 1709 N SER A 110 5.040 2.810 -5.758 1.00 0.00 N ATOM 1710 CA SER A 110 5.755 1.551 -5.645 1.00 0.00 C ATOM 1711 C SER A 110 4.802 0.445 -5.191 1.00 0.00 C ATOM 1712 O SER A 110 3.709 0.726 -4.703 1.00 0.00 O ATOM 1713 CB SER A 110 6.930 1.673 -4.671 1.00 0.00 C ATOM 1714 OG SER A 110 8.175 1.817 -5.350 1.00 0.00 O ATOM 0 H SER A 110 4.290 2.937 -5.078 1.00 0.00 H new ATOM 0 HA SER A 110 6.155 1.295 -6.626 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.772 2.531 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.965 0.790 -4.033 1.00 0.00 H new ATOM 0 HG SER A 110 8.468 2.751 -5.301 1.00 0.00 H new ATOM 1720 N TRP A 111 5.251 -0.790 -5.367 1.00 0.00 N ATOM 1721 CA TRP A 111 4.451 -1.939 -4.982 1.00 0.00 C ATOM 1722 C TRP A 111 5.358 -2.918 -4.235 1.00 0.00 C ATOM 1723 O TRP A 111 6.499 -3.142 -4.636 1.00 0.00 O ATOM 1724 CB TRP A 111 3.769 -2.566 -6.200 1.00 0.00 C ATOM 1725 CG TRP A 111 2.801 -1.627 -6.922 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.095 -0.593 -7.721 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.358 -1.680 -6.880 1.00 0.00 C ATOM 1728 NE1 TRP A 111 1.954 0.023 -8.194 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.865 -0.660 -7.666 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.501 -2.562 -6.199 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.504 -0.425 -7.846 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.864 -2.314 -6.389 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.378 -1.290 -7.178 1.00 0.00 C ATOM 0 H TRP A 111 6.159 -1.019 -5.771 1.00 0.00 H new ATOM 0 HA TRP A 111 3.641 -1.639 -4.318 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.534 -2.894 -6.904 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.226 -3.456 -5.882 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.100 -0.280 -7.965 1.00 0.00 H new ATOM 0 HE1 TRP A 111 1.917 0.830 -8.816 1.00 0.00 H new ATOM 0 HE3 TRP A 111 0.866 -3.367 -5.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.866 0.381 -8.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.567 -2.963 -5.888 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.446 -1.163 -7.275 1.00 0.00 H new ATOM 1744 N ALA A 112 4.818 -3.476 -3.161 1.00 0.00 N ATOM 1745 CA ALA A 112 5.565 -4.425 -2.355 1.00 0.00 C ATOM 1746 C ALA A 112 4.722 -5.685 -2.148 1.00 0.00 C ATOM 1747 O ALA A 112 3.519 -5.599 -1.904 1.00 0.00 O ATOM 1748 CB ALA A 112 5.967 -3.769 -1.032 1.00 0.00 C ATOM 0 H ALA A 112 3.871 -3.288 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 112 6.483 -4.721 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.528 -4.482 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.588 -2.896 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.072 -3.461 -0.492 1.00 0.00 H new ATOM 1754 N LEU A 113 5.386 -6.828 -2.251 1.00 0.00 N ATOM 1755 CA LEU A 113 4.714 -8.103 -2.077 1.00 0.00 C ATOM 1756 C LEU A 113 5.147 -8.727 -0.750 1.00 0.00 C ATOM 1757 O LEU A 113 6.329 -8.717 -0.411 1.00 0.00 O ATOM 1758 CB LEU A 113 4.955 -9.005 -3.289 1.00 0.00 C ATOM 1759 CG LEU A 113 4.096 -10.268 -3.367 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.673 -9.937 -3.823 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.751 -11.323 -4.260 1.00 0.00 C ATOM 0 H LEU A 113 6.383 -6.896 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 113 3.635 -7.960 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.786 -8.419 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.004 -9.302 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 113 4.024 -10.693 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.084 -10.853 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.215 -9.247 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.705 -9.475 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.119 -12.211 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.874 -10.922 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.727 -11.589 -3.853 1.00 0.00 H new ATOM 1773 N ILE A 114 4.166 -9.256 -0.033 1.00 0.00 N ATOM 1774 CA ILE A 114 4.432 -9.885 1.250 1.00 0.00 C ATOM 1775 C ILE A 114 3.946 -11.334 1.214 1.00 0.00 C ATOM 1776 O ILE A 114 2.758 -11.592 1.019 1.00 0.00 O ATOM 1777 CB ILE A 114 3.821 -9.059 2.386 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.019 -7.563 2.145 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.375 -9.501 3.742 1.00 0.00 C ATOM 1780 CD1 ILE A 114 5.468 -7.150 2.416 1.00 0.00 C ATOM 0 H ILE A 114 3.186 -9.262 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 114 5.504 -9.914 1.446 1.00 0.00 H new ATOM 0 HB ILE A 114 2.746 -9.241 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.754 -7.319 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.349 -6.995 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.926 -8.899 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.138 -10.552 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.457 -9.367 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.581 -6.081 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.722 -7.373 3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.134 -7.702 1.752 1.00 0.00 H new ATOM 1792 N GLY A 115 4.889 -12.245 1.404 1.00 0.00 N ATOM 1793 CA GLY A 115 4.573 -13.663 1.395 1.00 0.00 C ATOM 1794 C GLY A 115 3.413 -13.973 2.345 1.00 0.00 C ATOM 1795 O GLY A 115 3.063 -13.150 3.190 1.00 0.00 O ATOM 0 H GLY A 115 5.873 -12.028 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.313 -13.975 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.452 -14.237 1.689 1.00 0.00 H new ATOM 1799 N LYS A 116 2.849 -15.158 2.171 1.00 0.00 N ATOM 1800 CA LYS A 116 1.736 -15.587 3.002 1.00 0.00 C ATOM 1801 C LYS A 116 2.227 -15.801 4.435 1.00 0.00 C ATOM 1802 O LYS A 116 1.424 -15.990 5.348 1.00 0.00 O ATOM 1803 CB LYS A 116 1.055 -16.815 2.395 1.00 0.00 C ATOM 1804 CG LYS A 116 1.974 -18.036 2.457 1.00 0.00 C ATOM 1805 CD LYS A 116 1.443 -19.072 3.450 1.00 0.00 C ATOM 1806 CE LYS A 116 2.392 -20.267 3.558 1.00 0.00 C ATOM 1807 NZ LYS A 116 1.762 -21.362 4.330 1.00 0.00 N ATOM 0 H LYS A 116 3.141 -15.835 1.467 1.00 0.00 H new ATOM 0 HA LYS A 116 0.969 -14.813 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.129 -17.024 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.785 -16.611 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.056 -18.485 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.977 -17.726 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.320 -18.611 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.458 -19.413 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.655 -20.621 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.319 -19.960 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.420 -22.165 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.533 -21.025 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.890 -21.666 3.852 1.00 0.00 H new ATOM 1820 N ASP A 117 3.542 -15.764 4.587 1.00 0.00 N ATOM 1821 CA ASP A 117 4.150 -15.952 5.894 1.00 0.00 C ATOM 1822 C ASP A 117 4.230 -14.604 6.613 1.00 0.00 C ATOM 1823 O ASP A 117 4.296 -14.554 7.840 1.00 0.00 O ATOM 1824 CB ASP A 117 5.571 -16.504 5.766 1.00 0.00 C ATOM 1825 CG ASP A 117 5.687 -18.026 5.896 1.00 0.00 C ATOM 1826 OD1 ASP A 117 5.427 -18.596 6.965 1.00 0.00 O ATOM 1827 OD2 ASP A 117 6.068 -18.636 4.826 1.00 0.00 O ATOM 0 H ASP A 117 4.204 -15.607 3.827 1.00 0.00 H new ATOM 0 HA ASP A 117 3.537 -16.659 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.975 -16.205 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 117 6.195 -16.040 6.530 1.00 0.00 H new ATOM 1833 N GLY A 118 4.221 -13.544 5.817 1.00 0.00 N ATOM 1834 CA GLY A 118 4.291 -12.199 6.364 1.00 0.00 C ATOM 1835 C GLY A 118 5.690 -11.606 6.181 1.00 0.00 C ATOM 1836 O GLY A 118 6.103 -10.734 6.945 1.00 0.00 O ATOM 0 H GLY A 118 4.166 -13.589 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.555 -11.563 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.036 -12.220 7.424 1.00 0.00 H new ATOM 1840 N ASP A 119 6.381 -12.102 5.165 1.00 0.00 N ATOM 1841 CA ASP A 119 7.724 -11.632 4.874 1.00 0.00 C ATOM 1842 C ASP A 119 7.775 -11.101 3.439 1.00 0.00 C ATOM 1843 O ASP A 119 6.933 -11.452 2.615 1.00 0.00 O ATOM 1844 CB ASP A 119 8.742 -12.770 4.993 1.00 0.00 C ATOM 1845 CG ASP A 119 8.752 -13.753 3.820 1.00 0.00 C ATOM 1846 OD1 ASP A 119 7.935 -13.651 2.894 1.00 0.00 O ATOM 1847 OD2 ASP A 119 9.659 -14.669 3.886 1.00 0.00 O ATOM 0 H ASP A 119 6.036 -12.825 4.533 1.00 0.00 H new ATOM 0 HA ASP A 119 7.971 -10.849 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.738 -12.338 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.540 -13.324 5.910 1.00 0.00 H new ATOM 1853 N VAL A 120 8.769 -10.262 3.188 1.00 0.00 N ATOM 1854 CA VAL A 120 8.939 -9.679 1.870 1.00 0.00 C ATOM 1855 C VAL A 120 9.090 -10.798 0.837 1.00 0.00 C ATOM 1856 O VAL A 120 10.044 -11.573 0.891 1.00 0.00 O ATOM 1857 CB VAL A 120 10.122 -8.708 1.875 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.458 -8.244 0.456 1.00 0.00 C ATOM 1859 CG2 VAL A 120 9.846 -7.513 2.791 1.00 0.00 C ATOM 0 H VAL A 120 9.464 -9.973 3.876 1.00 0.00 H new ATOM 0 HA VAL A 120 8.059 -9.098 1.594 1.00 0.00 H new ATOM 0 HB VAL A 120 10.989 -9.239 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.302 -7.555 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.718 -9.107 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.594 -7.739 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.702 -6.838 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.960 -6.983 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.679 -7.866 3.809 1.00 0.00 H new ATOM 1869 N GLN A 121 8.135 -10.846 -0.081 1.00 0.00 N ATOM 1870 CA GLN A 121 8.150 -11.858 -1.124 1.00 0.00 C ATOM 1871 C GLN A 121 8.823 -11.310 -2.384 1.00 0.00 C ATOM 1872 O GLN A 121 9.702 -11.955 -2.952 1.00 0.00 O ATOM 1873 CB GLN A 121 6.734 -12.352 -1.429 1.00 0.00 C ATOM 1874 CG GLN A 121 6.746 -13.823 -1.849 1.00 0.00 C ATOM 1875 CD GLN A 121 5.349 -14.437 -1.736 1.00 0.00 C ATOM 1876 OE1 GLN A 121 4.341 -13.804 -2.005 1.00 0.00 O ATOM 1877 NE2 GLN A 121 5.344 -15.700 -1.323 1.00 0.00 N ATOM 0 H GLN A 121 7.346 -10.201 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 121 8.728 -12.711 -0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.104 -12.226 -0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.297 -11.747 -2.223 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.103 -13.909 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.443 -14.378 -1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.224 -16.172 -1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 121 4.460 -16.198 -1.214 1.00 0.00 H new ATOM 1886 N ARG A 122 8.384 -10.126 -2.784 1.00 0.00 N ATOM 1887 CA ARG A 122 8.932 -9.484 -3.967 1.00 0.00 C ATOM 1888 C ARG A 122 8.739 -7.969 -3.886 1.00 0.00 C ATOM 1889 O ARG A 122 7.833 -7.490 -3.205 1.00 0.00 O ATOM 1890 CB ARG A 122 8.265 -10.009 -5.239 1.00 0.00 C ATOM 1891 CG ARG A 122 9.308 -10.387 -6.291 1.00 0.00 C ATOM 1892 CD ARG A 122 9.029 -9.681 -7.619 1.00 0.00 C ATOM 1893 NE ARG A 122 9.100 -10.652 -8.734 1.00 0.00 N ATOM 1894 CZ ARG A 122 10.249 -11.043 -9.325 1.00 0.00 C ATOM 1895 NH1 ARG A 122 11.435 -10.546 -8.912 1.00 0.00 N ATOM 1896 NH2 ARG A 122 10.195 -11.915 -10.313 1.00 0.00 N ATOM 0 H ARG A 122 7.654 -9.594 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 122 9.996 -9.717 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.653 -10.879 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.596 -9.249 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.303 -10.119 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.303 -11.467 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.043 -9.216 -7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.754 -8.882 -7.775 1.00 0.00 H new ATOM 0 HE ARG A 122 8.226 -11.051 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.467 -9.870 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 122 12.299 -10.846 -9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.295 -12.283 -10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.054 -12.221 -10.771 1.00 0.00 H new ATOM 1909 N ILE A 123 9.605 -7.255 -4.592 1.00 0.00 N ATOM 1910 CA ILE A 123 9.540 -5.803 -4.609 1.00 0.00 C ATOM 1911 C ILE A 123 9.409 -5.320 -6.054 1.00 0.00 C ATOM 1912 O ILE A 123 10.079 -5.836 -6.948 1.00 0.00 O ATOM 1913 CB ILE A 123 10.736 -5.206 -3.867 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.560 -3.699 -3.663 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.048 -5.537 -4.582 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.295 -3.225 -2.408 1.00 0.00 C ATOM 0 H ILE A 123 10.355 -7.655 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 123 8.656 -5.454 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 123 10.784 -5.662 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 123 10.939 -3.164 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.500 -3.461 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.882 -5.100 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.173 -6.619 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.025 -5.128 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 123 11.153 -2.151 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 123 10.897 -3.744 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.359 -3.442 -2.506 1.00 0.00 H new ATOM 1928 N VAL A 124 8.542 -4.336 -6.239 1.00 0.00 N ATOM 1929 CA VAL A 124 8.314 -3.777 -7.560 1.00 0.00 C ATOM 1930 C VAL A 124 8.444 -2.254 -7.495 1.00 0.00 C ATOM 1931 O VAL A 124 7.953 -1.626 -6.559 1.00 0.00 O ATOM 1932 CB VAL A 124 6.957 -4.239 -8.098 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.674 -3.628 -9.473 1.00 0.00 C ATOM 1934 CG2 VAL A 124 6.879 -5.766 -8.149 1.00 0.00 C ATOM 0 H VAL A 124 7.988 -3.911 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 124 9.066 -4.138 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 124 6.187 -3.887 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.704 -3.973 -9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.666 -2.541 -9.393 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.450 -3.935 -10.174 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.905 -6.068 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.663 -6.149 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.013 -6.171 -7.146 1.00 0.00 H new ATOM 1944 N LYS A 125 9.108 -1.705 -8.502 1.00 0.00 N ATOM 1945 CA LYS A 125 9.309 -0.268 -8.571 1.00 0.00 C ATOM 1946 C LYS A 125 8.583 0.286 -9.800 1.00 0.00 C ATOM 1947 O LYS A 125 8.806 -0.175 -10.917 1.00 0.00 O ATOM 1948 CB LYS A 125 10.802 0.066 -8.536 1.00 0.00 C ATOM 1949 CG LYS A 125 11.595 -0.873 -9.447 1.00 0.00 C ATOM 1950 CD LYS A 125 13.044 -0.400 -9.595 1.00 0.00 C ATOM 1951 CE LYS A 125 13.667 -0.939 -10.882 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.223 0.168 -11.692 1.00 0.00 N ATOM 0 H LYS A 125 9.514 -2.230 -9.277 1.00 0.00 H new ATOM 0 HA LYS A 125 8.876 0.220 -7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 125 10.955 1.098 -8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.172 -0.014 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.578 -1.883 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.122 -0.919 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.076 0.690 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.628 -0.732 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.455 -1.652 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.915 -1.478 -11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.642 -0.216 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.463 0.834 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.955 0.665 -11.145 1.00 0.00 H new ATOM 1965 N GLY A 126 7.730 1.268 -9.549 1.00 0.00 N ATOM 1966 CA GLY A 126 6.969 1.889 -10.619 1.00 0.00 C ATOM 1967 C GLY A 126 5.468 1.659 -10.432 1.00 0.00 C ATOM 1968 O GLY A 126 4.989 1.549 -9.304 1.00 0.00 O ATOM 0 H GLY A 126 7.549 1.649 -8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.176 2.959 -10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.286 1.481 -11.579 1.00 0.00 H new ATOM 1972 N SER A 127 4.768 1.593 -11.554 1.00 0.00 N ATOM 1973 CA SER A 127 3.330 1.377 -11.528 1.00 0.00 C ATOM 1974 C SER A 127 2.975 0.118 -12.322 1.00 0.00 C ATOM 1975 O SER A 127 3.767 -0.348 -13.140 1.00 0.00 O ATOM 1976 CB SER A 127 2.581 2.587 -12.088 1.00 0.00 C ATOM 1977 OG SER A 127 1.404 2.881 -11.341 1.00 0.00 O ATOM 0 H SER A 127 5.169 1.685 -12.487 1.00 0.00 H new ATOM 0 HA SER A 127 3.023 1.243 -10.491 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.240 3.455 -12.082 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.312 2.398 -13.127 1.00 0.00 H new ATOM 0 HG SER A 127 0.956 3.661 -11.730 1.00 0.00 H new ATOM 1983 N ILE A 128 1.784 -0.395 -12.055 1.00 0.00 N ATOM 1984 CA ILE A 128 1.315 -1.591 -12.734 1.00 0.00 C ATOM 1985 C ILE A 128 -0.139 -1.387 -13.168 1.00 0.00 C ATOM 1986 O ILE A 128 -0.798 -0.451 -12.721 1.00 0.00 O ATOM 1987 CB ILE A 128 1.528 -2.825 -11.856 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.054 -2.569 -10.424 1.00 0.00 C ATOM 1989 CG2 ILE A 128 2.985 -3.288 -11.902 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.878 -3.882 -9.660 1.00 0.00 C ATOM 0 H ILE A 128 1.129 -0.005 -11.378 1.00 0.00 H new ATOM 0 HA ILE A 128 1.897 -1.769 -13.638 1.00 0.00 H new ATOM 0 HB ILE A 128 0.920 -3.636 -12.257 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.776 -1.937 -9.906 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.109 -2.025 -10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.108 -4.167 -11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.255 -3.539 -12.928 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.632 -2.488 -11.542 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.541 -3.670 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.138 -4.501 -10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.830 -4.412 -9.623 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.595 -2.282 -14.033 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.957 -2.212 -14.532 1.00 0.00 C ATOM 2004 C ASN A 129 -2.786 -3.330 -13.895 1.00 0.00 C ATOM 2005 O ASN A 129 -2.235 -4.253 -13.297 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.999 -2.400 -16.050 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.952 -3.419 -16.505 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -1.149 -4.622 -16.440 1.00 0.00 O ATOM 2009 ND2 ASN A 129 0.168 -2.875 -16.969 1.00 0.00 N ATOM 0 H ASN A 129 -0.045 -3.059 -14.400 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.358 -1.231 -14.279 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.992 -2.734 -16.351 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.821 -1.445 -16.544 1.00 0.00 H new ATOM 0 HD21 ASN A 129 0.927 -3.472 -17.298 1.00 0.00 H new ATOM 0 HD22 ASN A 129 0.269 -1.860 -16.996 1.00 0.00 H new ATOM 2016 N GLU A 130 -4.097 -3.210 -14.045 1.00 0.00 N ATOM 2017 CA GLU A 130 -5.008 -4.199 -13.493 1.00 0.00 C ATOM 2018 C GLU A 130 -4.596 -5.604 -13.935 1.00 0.00 C ATOM 2019 O GLU A 130 -4.720 -6.560 -13.170 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.453 -3.899 -13.894 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.381 -5.051 -13.503 1.00 0.00 C ATOM 2022 CD GLU A 130 -8.845 -4.605 -13.521 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -9.265 -3.823 -12.655 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.554 -5.100 -14.478 1.00 0.00 O ATOM 0 H GLU A 130 -4.550 -2.443 -14.541 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.951 -4.150 -12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.785 -2.980 -13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.508 -3.732 -14.970 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.242 -5.884 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.119 -5.412 -12.509 1.00 0.00 H new ATOM 2032 N ALA A 131 -4.116 -5.687 -15.166 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.685 -6.960 -15.719 1.00 0.00 C ATOM 2034 C ALA A 131 -2.536 -7.514 -14.875 1.00 0.00 C ATOM 2035 O ALA A 131 -2.573 -8.667 -14.448 1.00 0.00 O ATOM 2036 CB ALA A 131 -3.294 -6.773 -17.186 1.00 0.00 C ATOM 0 H ALA A 131 -4.016 -4.892 -15.798 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.497 -7.687 -15.688 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.971 -7.728 -17.601 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.153 -6.406 -17.747 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.479 -6.052 -17.256 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.539 -6.667 -14.660 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.380 -7.058 -13.876 1.00 0.00 C ATOM 2044 C GLN A 132 -0.822 -7.662 -12.541 1.00 0.00 C ATOM 2045 O GLN A 132 -0.299 -8.690 -12.116 1.00 0.00 O ATOM 2046 CB GLN A 132 0.559 -5.871 -13.657 1.00 0.00 C ATOM 2047 CG GLN A 132 1.824 -6.008 -14.505 1.00 0.00 C ATOM 2048 CD GLN A 132 2.519 -4.656 -14.675 1.00 0.00 C ATOM 2049 OE1 GLN A 132 1.895 -3.612 -14.742 1.00 0.00 O ATOM 2050 NE2 GLN A 132 3.847 -4.735 -14.740 1.00 0.00 N ATOM 0 H GLN A 132 -1.511 -5.711 -15.015 1.00 0.00 H new ATOM 0 HA GLN A 132 0.171 -7.817 -14.431 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.045 -4.944 -13.912 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.829 -5.806 -12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.507 -6.715 -14.034 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.568 -6.415 -15.483 1.00 0.00 H new ATOM 0 HE21 GLN A 132 4.308 -5.643 -14.677 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.403 -3.888 -14.853 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.782 -6.997 -11.916 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.301 -7.455 -10.638 1.00 0.00 C ATOM 2061 C ALA A 133 -2.728 -8.918 -10.761 1.00 0.00 C ATOM 2062 O ALA A 133 -2.402 -9.739 -9.904 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.450 -6.546 -10.199 1.00 0.00 C ATOM 0 H ALA A 133 -2.214 -6.144 -12.271 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.531 -7.401 -9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.840 -6.889 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -3.087 -5.523 -10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.244 -6.577 -10.945 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.451 -9.202 -11.835 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.927 -10.553 -12.081 1.00 0.00 C ATOM 2071 C LEU A 134 -2.727 -11.492 -12.228 1.00 0.00 C ATOM 2072 O LEU A 134 -2.643 -12.508 -11.540 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.878 -10.577 -13.279 1.00 0.00 C ATOM 2074 CG LEU A 134 -5.956 -9.490 -13.302 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.060 -9.836 -14.302 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.511 -9.240 -11.899 1.00 0.00 C ATOM 0 H LEU A 134 -3.719 -8.520 -12.544 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.512 -10.912 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.285 -10.492 -14.190 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.370 -11.549 -13.308 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.498 -8.560 -13.637 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.813 -9.048 -14.299 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.632 -9.925 -15.300 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.523 -10.782 -14.020 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.275 -8.464 -11.943 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -6.950 -10.160 -11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.704 -8.918 -11.241 1.00 0.00 H new