USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 11 THR OG1 : rot 126:sc= 1.97 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -136:sc= 1.96 (180deg=0.642) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 180:sc= 0.785 (180deg=-0.00194) USER MOD Set 2.2: A 10 TYR OH : rot -140:sc= 0.711 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 0.763 K(o=0.76,f=-3.5!) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -24:sc= 1.48 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00224) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 170:sc= 1.15 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.0527 (180deg=-0.412) USER MOD Single : A 44 THR OG1 : rot -159:sc= -0.691 USER MOD Single : A 46 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-6.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0743 USER MOD Single : A 54 TYR OH : rot -30:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.561 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= 1.26 (180deg=1.04) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= -1.15! (180deg=-1.24!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00997 USER MOD Single : A 85 GLN : amide:sc= -1.48! C(o=-1.5!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.437 10.841 -3.672 1.00 0.00 N ATOM 36 CA LYS A 4 8.244 11.630 -3.541 1.00 0.00 C ATOM 37 C LYS A 4 8.346 12.555 -2.357 1.00 0.00 C ATOM 38 O LYS A 4 9.370 12.579 -1.664 1.00 0.00 O ATOM 39 CB LYS A 4 7.026 10.722 -3.343 1.00 0.00 C ATOM 40 CG LYS A 4 7.060 9.850 -2.085 1.00 0.00 C ATOM 41 CD LYS A 4 7.889 8.586 -2.270 1.00 0.00 C ATOM 42 CE LYS A 4 7.876 7.746 -1.015 1.00 0.00 C ATOM 43 NZ LYS A 4 8.477 6.400 -1.233 1.00 0.00 N ATOM 0 HA LYS A 4 8.130 12.215 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.131 11.343 -3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.932 10.073 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.468 10.429 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.042 9.575 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.495 8.006 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.915 8.853 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.424 8.264 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.849 7.632 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.447 5.858 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.939 5.894 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.465 6.507 -1.540 1.00 0.00 H new ATOM 57 N HIS A 5 7.301 13.329 -2.126 1.00 0.00 N ATOM 58 CA HIS A 5 7.242 14.136 -0.935 1.00 0.00 C ATOM 59 C HIS A 5 6.414 13.426 0.150 1.00 0.00 C ATOM 60 O HIS A 5 6.766 13.467 1.332 1.00 0.00 O ATOM 61 CB HIS A 5 6.747 15.588 -1.212 1.00 0.00 C ATOM 62 CG HIS A 5 5.307 15.751 -1.646 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.854 15.576 -2.932 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.224 16.120 -0.924 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.554 15.844 -2.957 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.116 16.177 -1.762 1.00 0.00 N ATOM 0 H HIS A 5 6.493 13.411 -2.743 1.00 0.00 H new ATOM 0 HA HIS A 5 8.260 14.249 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.896 16.176 -0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.384 16.022 -1.982 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.420 15.289 -3.731 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.221 16.336 0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.937 15.795 -3.842 1.00 0.00 H new ATOM 74 N SER A 6 5.362 12.712 -0.258 1.00 0.00 N ATOM 75 CA SER A 6 4.496 12.016 0.689 1.00 0.00 C ATOM 76 C SER A 6 3.744 10.885 -0.009 1.00 0.00 C ATOM 77 O SER A 6 3.992 10.602 -1.177 1.00 0.00 O ATOM 78 CB SER A 6 3.494 13.012 1.273 1.00 0.00 C ATOM 79 OG SER A 6 2.643 13.537 0.263 1.00 0.00 O ATOM 0 H SER A 6 5.092 12.602 -1.236 1.00 0.00 H new ATOM 0 HA SER A 6 5.106 11.590 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.894 12.521 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.029 13.827 1.761 1.00 0.00 H new ATOM 0 HG SER A 6 2.011 14.170 0.664 1.00 0.00 H new ATOM 85 N ILE A 7 2.821 10.250 0.709 1.00 0.00 N ATOM 86 CA ILE A 7 1.976 9.214 0.135 1.00 0.00 C ATOM 87 C ILE A 7 0.965 9.852 -0.843 1.00 0.00 C ATOM 88 O ILE A 7 0.506 9.222 -1.781 1.00 0.00 O ATOM 89 CB ILE A 7 1.209 8.404 1.239 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.427 7.248 0.607 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.281 9.308 2.045 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.277 6.371 1.606 1.00 0.00 C ATOM 0 H ILE A 7 2.641 10.439 1.695 1.00 0.00 H new ATOM 0 HA ILE A 7 2.621 8.516 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 7 1.946 7.990 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.309 7.656 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.112 6.636 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.236 8.717 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.866 10.089 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.451 9.765 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.808 5.576 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.455 5.932 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.989 6.968 2.176 1.00 0.00 H new ATOM 104 N SER A 8 0.687 11.130 -0.638 1.00 0.00 N ATOM 105 CA SER A 8 -0.262 11.845 -1.444 1.00 0.00 C ATOM 106 C SER A 8 0.397 12.382 -2.715 1.00 0.00 C ATOM 107 O SER A 8 -0.250 13.004 -3.563 1.00 0.00 O ATOM 108 CB SER A 8 -0.912 12.932 -0.598 1.00 0.00 C ATOM 109 OG SER A 8 -1.460 12.351 0.569 1.00 0.00 O ATOM 0 H SER A 8 1.119 11.692 0.095 1.00 0.00 H new ATOM 0 HA SER A 8 -1.051 11.173 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.175 13.689 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.693 13.435 -1.169 1.00 0.00 H new ATOM 0 HG SER A 8 -1.652 11.404 0.404 1.00 0.00 H new ATOM 115 N ASP A 9 1.701 12.144 -2.822 1.00 0.00 N ATOM 116 CA ASP A 9 2.452 12.428 -4.046 1.00 0.00 C ATOM 117 C ASP A 9 2.078 11.353 -5.057 1.00 0.00 C ATOM 118 O ASP A 9 2.013 11.583 -6.267 1.00 0.00 O ATOM 119 CB ASP A 9 3.954 12.348 -3.761 1.00 0.00 C ATOM 120 CG ASP A 9 4.856 12.743 -4.929 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.965 11.989 -5.914 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.535 13.784 -4.832 1.00 0.00 O ATOM 0 H ASP A 9 2.266 11.751 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 9 2.219 13.425 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.182 12.992 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.198 11.329 -3.462 1.00 0.00 H new ATOM 127 N TYR A 10 1.793 10.179 -4.524 1.00 0.00 N ATOM 128 CA TYR A 10 1.381 9.043 -5.300 1.00 0.00 C ATOM 129 C TYR A 10 -0.057 9.207 -5.687 1.00 0.00 C ATOM 130 O TYR A 10 -0.877 9.660 -4.887 1.00 0.00 O ATOM 131 CB TYR A 10 1.469 7.740 -4.483 1.00 0.00 C ATOM 132 CG TYR A 10 2.844 7.203 -4.174 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.671 7.803 -3.237 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.303 6.052 -4.804 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.900 7.280 -2.953 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.538 5.522 -4.509 1.00 0.00 C ATOM 137 CZ TYR A 10 5.332 6.145 -3.581 1.00 0.00 C ATOM 138 OH TYR A 10 6.569 5.630 -3.262 1.00 0.00 O ATOM 0 H TYR A 10 1.845 9.994 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 10 2.039 8.985 -6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.950 7.900 -3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.920 6.968 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.339 8.695 -2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.679 5.565 -5.538 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.535 7.766 -2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.879 4.624 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 10 7.011 5.312 -4.077 1.00 0.00 H new ATOM 148 N THR A 11 -0.364 8.881 -6.892 1.00 0.00 N ATOM 149 CA THR A 11 -1.724 8.792 -7.302 1.00 0.00 C ATOM 150 C THR A 11 -2.169 7.399 -6.860 1.00 0.00 C ATOM 151 O THR A 11 -1.297 6.555 -6.530 1.00 0.00 O ATOM 152 CB THR A 11 -1.809 8.895 -8.832 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.724 9.710 -9.307 1.00 0.00 O ATOM 154 CG2 THR A 11 -3.105 9.542 -9.259 1.00 0.00 C ATOM 0 H THR A 11 0.317 8.669 -7.621 1.00 0.00 H new ATOM 0 HA THR A 11 -2.341 9.584 -6.878 1.00 0.00 H new ATOM 0 HB THR A 11 -1.757 7.889 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.217 9.217 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.140 9.603 -10.347 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.944 8.946 -8.902 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.167 10.545 -8.837 1.00 0.00 H new ATOM 162 N GLU A 12 -3.461 7.140 -6.851 1.00 0.00 N ATOM 163 CA GLU A 12 -3.970 5.853 -6.417 1.00 0.00 C ATOM 164 C GLU A 12 -3.345 4.732 -7.248 1.00 0.00 C ATOM 165 O GLU A 12 -2.933 3.733 -6.712 1.00 0.00 O ATOM 166 CB GLU A 12 -5.495 5.823 -6.500 1.00 0.00 C ATOM 167 CG GLU A 12 -6.130 4.531 -6.013 1.00 0.00 C ATOM 168 CD GLU A 12 -7.627 4.568 -6.115 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.272 5.133 -5.229 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.192 4.034 -7.096 1.00 0.00 O ATOM 0 H GLU A 12 -4.179 7.804 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.693 5.697 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.894 6.652 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.793 5.991 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.747 3.695 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.841 4.353 -4.977 1.00 0.00 H new ATOM 177 N ALA A 13 -3.204 4.970 -8.540 1.00 0.00 N ATOM 178 CA ALA A 13 -2.607 4.000 -9.456 1.00 0.00 C ATOM 179 C ALA A 13 -1.132 3.694 -9.108 1.00 0.00 C ATOM 180 O ALA A 13 -0.765 2.540 -8.973 1.00 0.00 O ATOM 181 CB ALA A 13 -2.750 4.464 -10.894 1.00 0.00 C ATOM 0 H ALA A 13 -3.498 5.838 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.154 3.065 -9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.299 3.728 -11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.807 4.575 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.247 5.423 -11.019 1.00 0.00 H new ATOM 187 N GLU A 14 -0.299 4.734 -8.934 1.00 0.00 N ATOM 188 CA GLU A 14 1.126 4.549 -8.570 1.00 0.00 C ATOM 189 C GLU A 14 1.280 3.850 -7.243 1.00 0.00 C ATOM 190 O GLU A 14 2.216 3.076 -7.041 1.00 0.00 O ATOM 191 CB GLU A 14 1.876 5.880 -8.528 1.00 0.00 C ATOM 192 CG GLU A 14 2.226 6.495 -9.875 1.00 0.00 C ATOM 193 CD GLU A 14 1.062 6.724 -10.778 1.00 0.00 C ATOM 194 OE1 GLU A 14 0.300 7.658 -10.541 1.00 0.00 O ATOM 195 OE2 GLU A 14 0.882 5.970 -11.746 1.00 0.00 O ATOM 0 H GLU A 14 -0.581 5.709 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 14 1.560 3.923 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.272 6.596 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.799 5.736 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.729 7.447 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.939 5.844 -10.382 1.00 0.00 H new ATOM 202 N PHE A 15 0.384 4.117 -6.341 1.00 0.00 N ATOM 203 CA PHE A 15 0.429 3.467 -5.067 1.00 0.00 C ATOM 204 C PHE A 15 -0.107 2.079 -5.197 1.00 0.00 C ATOM 205 O PHE A 15 0.305 1.202 -4.525 1.00 0.00 O ATOM 206 CB PHE A 15 -0.289 4.246 -3.994 1.00 0.00 C ATOM 207 CG PHE A 15 0.065 3.760 -2.636 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.192 4.248 -2.003 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.706 2.808 -1.994 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.544 3.799 -0.764 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.357 2.363 -0.753 1.00 0.00 C ATOM 212 CZ PHE A 15 0.767 2.856 -0.140 1.00 0.00 C ATOM 0 H PHE A 15 -0.384 4.777 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 15 1.470 3.417 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.036 5.303 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.366 4.163 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.801 4.993 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.588 2.415 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.428 4.183 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.965 1.623 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.042 2.499 0.841 1.00 0.00 H new ATOM 222 N LEU A 16 -1.021 1.892 -6.055 1.00 0.00 N ATOM 223 CA LEU A 16 -1.550 0.579 -6.298 1.00 0.00 C ATOM 224 C LEU A 16 -0.495 -0.284 -6.974 1.00 0.00 C ATOM 225 O LEU A 16 -0.494 -1.505 -6.868 1.00 0.00 O ATOM 226 CB LEU A 16 -2.861 0.716 -7.058 1.00 0.00 C ATOM 227 CG LEU A 16 -3.672 -0.506 -7.255 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.120 -0.140 -7.317 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.322 -1.156 -8.520 1.00 0.00 C ATOM 0 H LEU A 16 -1.438 2.631 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.789 0.057 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.477 1.447 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.637 1.132 -8.040 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.476 -1.182 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.717 -1.040 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.413 0.344 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.287 0.544 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.928 -2.053 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.510 -0.470 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.267 -1.430 -8.509 1.00 0.00 H new ATOM 241 N GLU A 17 0.406 0.356 -7.621 1.00 0.00 N ATOM 242 CA GLU A 17 1.563 -0.309 -8.124 1.00 0.00 C ATOM 243 C GLU A 17 2.517 -0.701 -6.988 1.00 0.00 C ATOM 244 O GLU A 17 3.325 -1.583 -7.176 1.00 0.00 O ATOM 245 CB GLU A 17 2.274 0.460 -9.220 1.00 0.00 C ATOM 246 CG GLU A 17 1.439 0.636 -10.467 1.00 0.00 C ATOM 247 CD GLU A 17 2.222 1.213 -11.601 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.527 2.413 -11.579 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.533 0.469 -12.560 1.00 0.00 O ATOM 0 H GLU A 17 0.369 1.356 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 17 1.207 -1.225 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.558 1.441 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.196 -0.060 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.030 -0.329 -10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.593 1.286 -10.245 1.00 0.00 H new ATOM 256 N PHE A 18 2.393 -0.043 -5.792 1.00 0.00 N ATOM 257 CA PHE A 18 3.213 -0.408 -4.588 1.00 0.00 C ATOM 258 C PHE A 18 3.033 -1.865 -4.345 1.00 0.00 C ATOM 259 O PHE A 18 3.976 -2.636 -4.316 1.00 0.00 O ATOM 260 CB PHE A 18 2.801 0.413 -3.249 1.00 0.00 C ATOM 261 CG PHE A 18 1.953 -0.328 -2.108 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.551 -0.429 -2.153 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.583 -0.898 -1.010 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.167 -1.081 -1.135 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.861 -1.541 -0.003 1.00 0.00 C ATOM 266 CZ PHE A 18 0.496 -1.629 -0.071 1.00 0.00 C ATOM 0 H PHE A 18 1.745 0.729 -5.637 1.00 0.00 H new ATOM 0 HA PHE A 18 4.251 -0.148 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.721 0.776 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.234 1.289 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.015 0.003 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.659 -0.843 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.243 -1.149 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.384 -1.973 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.055 -2.129 0.712 1.00 0.00 H new ATOM 276 N VAL A 19 1.797 -2.231 -4.269 1.00 0.00 N ATOM 277 CA VAL A 19 1.418 -3.561 -3.942 1.00 0.00 C ATOM 278 C VAL A 19 1.677 -4.514 -5.088 1.00 0.00 C ATOM 279 O VAL A 19 2.047 -5.664 -4.873 1.00 0.00 O ATOM 280 CB VAL A 19 -0.033 -3.624 -3.409 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.040 -3.114 -4.397 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.387 -4.987 -2.863 1.00 0.00 C ATOM 0 H VAL A 19 1.011 -1.603 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 19 2.054 -3.898 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.075 -2.937 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.039 -3.183 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.820 -2.074 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.994 -3.714 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.415 -4.978 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.286 -5.732 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.284 -5.235 -2.041 1.00 0.00 H new ATOM 292 N LYS A 20 1.514 -4.023 -6.299 1.00 0.00 N ATOM 293 CA LYS A 20 1.831 -4.814 -7.468 1.00 0.00 C ATOM 294 C LYS A 20 3.328 -5.179 -7.461 1.00 0.00 C ATOM 295 O LYS A 20 3.710 -6.337 -7.694 1.00 0.00 O ATOM 296 CB LYS A 20 1.504 -4.071 -8.745 1.00 0.00 C ATOM 297 CG LYS A 20 0.030 -3.877 -8.947 1.00 0.00 C ATOM 298 CD LYS A 20 -0.241 -3.271 -10.276 1.00 0.00 C ATOM 299 CE LYS A 20 -1.711 -3.232 -10.601 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.945 -2.801 -11.991 1.00 0.00 N ATOM 0 H LYS A 20 1.166 -3.085 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 20 1.225 -5.719 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.994 -3.098 -8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.913 -4.620 -9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.483 -4.836 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.369 -3.236 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.160 -2.258 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.283 -3.839 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.145 -4.220 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.218 -2.551 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.967 -2.785 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.552 -1.848 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.481 -3.465 -12.643 1.00 0.00 H new ATOM 314 N LYS A 21 4.163 -4.173 -7.154 1.00 0.00 N ATOM 315 CA LYS A 21 5.611 -4.333 -7.017 1.00 0.00 C ATOM 316 C LYS A 21 5.939 -5.315 -5.909 1.00 0.00 C ATOM 317 O LYS A 21 6.813 -6.140 -6.057 1.00 0.00 O ATOM 318 CB LYS A 21 6.299 -2.981 -6.727 1.00 0.00 C ATOM 319 CG LYS A 21 6.301 -1.996 -7.895 1.00 0.00 C ATOM 320 CD LYS A 21 6.794 -0.601 -7.477 1.00 0.00 C ATOM 321 CE LYS A 21 8.233 -0.589 -6.951 1.00 0.00 C ATOM 322 NZ LYS A 21 9.223 -0.991 -7.978 1.00 0.00 N ATOM 0 H LYS A 21 3.844 -3.218 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 21 5.987 -4.720 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.803 -2.513 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.330 -3.171 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.938 -2.381 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.293 -1.916 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.723 0.071 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.131 -0.207 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.475 0.411 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.308 -1.262 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.180 -0.949 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.023 -1.962 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.162 -0.345 -8.791 1.00 0.00 H new ATOM 336 N ILE A 22 5.216 -5.235 -4.814 1.00 0.00 N ATOM 337 CA ILE A 22 5.448 -6.129 -3.690 1.00 0.00 C ATOM 338 C ILE A 22 5.027 -7.560 -4.036 1.00 0.00 C ATOM 339 O ILE A 22 5.676 -8.519 -3.642 1.00 0.00 O ATOM 340 CB ILE A 22 4.730 -5.642 -2.406 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.192 -4.223 -2.082 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.034 -6.576 -1.236 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.557 -3.618 -0.870 1.00 0.00 C ATOM 0 H ILE A 22 4.462 -4.562 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 22 6.519 -6.122 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 22 3.653 -5.646 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.273 -4.231 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.986 -3.584 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.522 -6.219 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.689 -7.582 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.109 -6.595 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.946 -2.611 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.477 -3.572 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.784 -4.229 0.003 1.00 0.00 H new ATOM 355 N CYS A 23 3.969 -7.694 -4.804 1.00 0.00 N ATOM 356 CA CYS A 23 3.492 -8.998 -5.231 1.00 0.00 C ATOM 357 C CYS A 23 4.529 -9.679 -6.150 1.00 0.00 C ATOM 358 O CYS A 23 4.625 -10.900 -6.195 1.00 0.00 O ATOM 359 CB CYS A 23 2.125 -8.857 -5.932 1.00 0.00 C ATOM 360 SG CYS A 23 1.371 -10.406 -6.490 1.00 0.00 S ATOM 0 H CYS A 23 3.416 -6.910 -5.150 1.00 0.00 H new ATOM 0 HA CYS A 23 3.360 -9.633 -4.355 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.435 -8.363 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.244 -8.200 -6.794 1.00 0.00 H new ATOM 0 HG CYS A 23 0.230 -10.153 -7.059 1.00 0.00 H new ATOM 366 N ARG A 24 5.311 -8.877 -6.859 1.00 0.00 N ATOM 367 CA ARG A 24 6.352 -9.396 -7.738 1.00 0.00 C ATOM 368 C ARG A 24 7.740 -9.327 -7.092 1.00 0.00 C ATOM 369 O ARG A 24 8.752 -9.603 -7.741 1.00 0.00 O ATOM 370 CB ARG A 24 6.374 -8.671 -9.060 1.00 0.00 C ATOM 371 CG ARG A 24 6.648 -7.216 -8.945 1.00 0.00 C ATOM 372 CD ARG A 24 6.819 -6.616 -10.285 1.00 0.00 C ATOM 373 NE ARG A 24 8.009 -7.141 -10.961 1.00 0.00 N ATOM 374 CZ ARG A 24 8.267 -7.035 -12.267 1.00 0.00 C ATOM 375 NH1 ARG A 24 7.349 -6.555 -13.106 1.00 0.00 N ATOM 376 NH2 ARG A 24 9.430 -7.453 -12.738 1.00 0.00 N ATOM 0 H ARG A 24 5.244 -7.859 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 24 6.107 -10.444 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.132 -9.124 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.414 -8.812 -9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.827 -6.725 -8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.547 -7.055 -8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.936 -6.819 -10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.900 -5.533 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 24 8.697 -7.628 -10.386 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.438 -6.264 -12.753 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.558 -6.479 -14.101 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.123 -7.853 -12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.634 -7.375 -13.734 1.00 0.00 H new ATOM 390 N ALA A 25 7.788 -8.965 -5.826 1.00 0.00 N ATOM 391 CA ALA A 25 9.052 -8.726 -5.116 1.00 0.00 C ATOM 392 C ALA A 25 9.705 -10.017 -4.607 1.00 0.00 C ATOM 393 O ALA A 25 10.570 -9.991 -3.745 1.00 0.00 O ATOM 394 CB ALA A 25 8.838 -7.757 -3.971 1.00 0.00 C ATOM 0 H ALA A 25 6.958 -8.825 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 25 9.741 -8.289 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.783 -7.590 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.465 -6.810 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.112 -8.173 -3.273 1.00 0.00 H new ATOM 400 N GLU A 26 9.342 -11.133 -5.190 1.00 0.00 N ATOM 401 CA GLU A 26 9.863 -12.434 -4.776 1.00 0.00 C ATOM 402 C GLU A 26 11.249 -12.697 -5.400 1.00 0.00 C ATOM 403 O GLU A 26 11.733 -13.836 -5.397 1.00 0.00 O ATOM 404 CB GLU A 26 8.903 -13.526 -5.218 1.00 0.00 C ATOM 405 CG GLU A 26 7.477 -13.345 -4.735 1.00 0.00 C ATOM 406 CD GLU A 26 6.556 -14.381 -5.313 1.00 0.00 C ATOM 407 OE1 GLU A 26 6.105 -14.214 -6.469 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.254 -15.373 -4.637 1.00 0.00 O ATOM 0 H GLU A 26 8.679 -11.176 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 26 9.963 -12.435 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.901 -13.571 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.275 -14.486 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.452 -13.403 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.124 -12.351 -5.010 1.00 0.00 H new ATOM 415 N GLY A 27 11.875 -11.634 -5.886 1.00 0.00 N ATOM 416 CA GLY A 27 13.133 -11.704 -6.592 1.00 0.00 C ATOM 417 C GLY A 27 14.268 -12.298 -5.799 1.00 0.00 C ATOM 418 O GLY A 27 14.708 -13.422 -6.070 1.00 0.00 O ATOM 0 H GLY A 27 11.511 -10.685 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.993 -12.294 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.414 -10.699 -6.906 1.00 0.00 H new ATOM 422 N ALA A 28 14.762 -11.555 -4.847 1.00 0.00 N ATOM 423 CA ALA A 28 15.889 -12.008 -4.068 1.00 0.00 C ATOM 424 C ALA A 28 15.463 -12.923 -2.945 1.00 0.00 C ATOM 425 O ALA A 28 15.651 -14.132 -3.004 1.00 0.00 O ATOM 426 CB ALA A 28 16.673 -10.826 -3.506 1.00 0.00 C ATOM 0 H ALA A 28 14.405 -10.635 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 28 16.534 -12.575 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.517 -11.194 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.040 -10.210 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.023 -10.229 -2.866 1.00 0.00 H new ATOM 432 N THR A 29 14.842 -12.344 -1.970 1.00 0.00 N ATOM 433 CA THR A 29 14.522 -13.000 -0.719 1.00 0.00 C ATOM 434 C THR A 29 13.307 -12.312 -0.127 1.00 0.00 C ATOM 435 O THR A 29 12.752 -11.420 -0.762 1.00 0.00 O ATOM 436 CB THR A 29 15.718 -12.844 0.274 1.00 0.00 C ATOM 437 OG1 THR A 29 16.153 -11.463 0.299 1.00 0.00 O ATOM 438 CG2 THR A 29 16.897 -13.751 -0.082 1.00 0.00 C ATOM 0 H THR A 29 14.529 -11.374 -2.011 1.00 0.00 H new ATOM 0 HA THR A 29 14.327 -14.059 -0.890 1.00 0.00 H new ATOM 0 HB THR A 29 15.364 -13.146 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.788 -11.333 1.034 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.701 -13.603 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.575 -14.792 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.257 -13.505 -1.081 1.00 0.00 H new ATOM 446 N GLU A 30 12.931 -12.665 1.102 1.00 0.00 N ATOM 447 CA GLU A 30 11.802 -12.010 1.781 1.00 0.00 C ATOM 448 C GLU A 30 12.146 -10.551 2.090 1.00 0.00 C ATOM 449 O GLU A 30 11.263 -9.729 2.353 1.00 0.00 O ATOM 450 CB GLU A 30 11.434 -12.745 3.077 1.00 0.00 C ATOM 451 CG GLU A 30 12.519 -12.711 4.150 1.00 0.00 C ATOM 452 CD GLU A 30 12.090 -13.391 5.418 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.323 -12.795 6.200 1.00 0.00 O ATOM 454 OE2 GLU A 30 12.506 -14.535 5.666 1.00 0.00 O ATOM 0 H GLU A 30 13.386 -13.396 1.649 1.00 0.00 H new ATOM 0 HA GLU A 30 10.942 -12.043 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.523 -12.305 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.207 -13.784 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.419 -13.193 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.780 -11.675 4.367 1.00 0.00 H new ATOM 461 N GLU A 31 13.442 -10.254 2.045 1.00 0.00 N ATOM 462 CA GLU A 31 13.977 -8.932 2.293 1.00 0.00 C ATOM 463 C GLU A 31 13.612 -8.034 1.125 1.00 0.00 C ATOM 464 O GLU A 31 13.413 -6.835 1.280 1.00 0.00 O ATOM 465 CB GLU A 31 15.485 -9.019 2.367 1.00 0.00 C ATOM 466 CG GLU A 31 16.007 -10.087 3.296 1.00 0.00 C ATOM 467 CD GLU A 31 17.485 -10.273 3.143 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.889 -11.101 2.301 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.264 -9.599 3.838 1.00 0.00 O ATOM 0 H GLU A 31 14.160 -10.946 1.830 1.00 0.00 H new ATOM 0 HA GLU A 31 13.573 -8.536 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.875 -9.204 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.876 -8.054 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.778 -9.818 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.498 -11.029 3.092 1.00 0.00 H new ATOM 476 N ASP A 32 13.485 -8.659 -0.042 1.00 0.00 N ATOM 477 CA ASP A 32 13.177 -7.968 -1.291 1.00 0.00 C ATOM 478 C ASP A 32 11.772 -7.426 -1.181 1.00 0.00 C ATOM 479 O ASP A 32 11.519 -6.258 -1.516 1.00 0.00 O ATOM 480 CB ASP A 32 13.305 -8.952 -2.477 1.00 0.00 C ATOM 481 CG ASP A 32 13.366 -8.317 -3.860 1.00 0.00 C ATOM 482 OD1 ASP A 32 12.537 -7.474 -4.198 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.268 -8.688 -4.652 1.00 0.00 O ATOM 0 H ASP A 32 13.594 -9.668 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 32 13.873 -7.148 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.204 -9.551 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.458 -9.637 -2.449 1.00 0.00 H new ATOM 488 N ASP A 33 10.887 -8.260 -0.644 1.00 0.00 N ATOM 489 CA ASP A 33 9.504 -7.875 -0.381 1.00 0.00 C ATOM 490 C ASP A 33 9.497 -6.819 0.703 1.00 0.00 C ATOM 491 O ASP A 33 8.976 -5.712 0.528 1.00 0.00 O ATOM 492 CB ASP A 33 8.669 -9.052 0.167 1.00 0.00 C ATOM 493 CG ASP A 33 8.739 -10.345 -0.601 1.00 0.00 C ATOM 494 OD1 ASP A 33 9.645 -11.150 -0.309 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.836 -10.630 -1.407 1.00 0.00 O ATOM 0 H ASP A 33 11.107 -9.220 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 33 9.079 -7.528 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.987 -9.247 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.626 -8.738 0.211 1.00 0.00 H new ATOM 500 N ASN A 34 10.125 -7.171 1.823 1.00 0.00 N ATOM 501 CA ASN A 34 10.156 -6.364 3.042 1.00 0.00 C ATOM 502 C ASN A 34 10.635 -4.947 2.823 1.00 0.00 C ATOM 503 O ASN A 34 10.011 -4.010 3.312 1.00 0.00 O ATOM 504 CB ASN A 34 10.980 -7.070 4.130 1.00 0.00 C ATOM 505 CG ASN A 34 11.206 -6.239 5.386 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.379 -6.223 6.285 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.349 -5.602 5.485 1.00 0.00 N ATOM 0 H ASN A 34 10.640 -8.047 1.911 1.00 0.00 H new ATOM 0 HA ASN A 34 9.123 -6.272 3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.476 -7.996 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.948 -7.347 3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.567 -5.074 6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.019 -5.635 4.717 1.00 0.00 H new ATOM 514 N LYS A 35 11.703 -4.778 2.053 1.00 0.00 N ATOM 515 CA LYS A 35 12.269 -3.452 1.830 1.00 0.00 C ATOM 516 C LYS A 35 11.252 -2.539 1.145 1.00 0.00 C ATOM 517 O LYS A 35 11.225 -1.327 1.399 1.00 0.00 O ATOM 518 CB LYS A 35 13.574 -3.504 1.006 1.00 0.00 C ATOM 519 CG LYS A 35 13.384 -3.856 -0.469 1.00 0.00 C ATOM 520 CD LYS A 35 14.691 -3.825 -1.238 1.00 0.00 C ATOM 521 CE LYS A 35 14.453 -3.924 -2.744 1.00 0.00 C ATOM 522 NZ LYS A 35 13.803 -5.189 -3.141 1.00 0.00 N ATOM 0 H LYS A 35 12.192 -5.535 1.576 1.00 0.00 H new ATOM 0 HA LYS A 35 12.515 -3.044 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.069 -2.535 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.244 -4.236 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.940 -4.848 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.682 -3.155 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.226 -2.903 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.326 -4.649 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.833 -3.087 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.406 -3.832 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.498 -5.126 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.477 -5.974 -3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.975 -5.359 -2.535 1.00 0.00 H new ATOM 536 N LEU A 36 10.417 -3.117 0.282 1.00 0.00 N ATOM 537 CA LEU A 36 9.387 -2.340 -0.369 1.00 0.00 C ATOM 538 C LEU A 36 8.283 -2.046 0.620 1.00 0.00 C ATOM 539 O LEU A 36 7.902 -0.894 0.809 1.00 0.00 O ATOM 540 CB LEU A 36 8.822 -3.056 -1.597 1.00 0.00 C ATOM 541 CG LEU A 36 9.790 -3.304 -2.753 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.068 -3.991 -3.893 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.413 -1.999 -3.228 1.00 0.00 C ATOM 0 H LEU A 36 10.439 -4.104 0.027 1.00 0.00 H new ATOM 0 HA LEU A 36 9.832 -1.408 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.422 -4.018 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.983 -2.472 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 36 10.592 -3.952 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.765 -4.164 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.669 -4.945 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.250 -3.359 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.098 -2.201 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.628 -1.323 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.960 -1.537 -2.406 1.00 0.00 H new ATOM 555 N VAL A 37 7.825 -3.093 1.299 1.00 0.00 N ATOM 556 CA VAL A 37 6.745 -2.980 2.283 1.00 0.00 C ATOM 557 C VAL A 37 7.053 -1.892 3.312 1.00 0.00 C ATOM 558 O VAL A 37 6.209 -1.069 3.608 1.00 0.00 O ATOM 559 CB VAL A 37 6.485 -4.327 3.042 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.315 -4.181 4.001 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.212 -5.467 2.082 1.00 0.00 C ATOM 0 H VAL A 37 8.187 -4.040 1.186 1.00 0.00 H new ATOM 0 HA VAL A 37 5.849 -2.719 1.720 1.00 0.00 H new ATOM 0 HB VAL A 37 7.390 -4.561 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.149 -5.126 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.537 -3.402 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.419 -3.911 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.037 -6.383 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.331 -5.235 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.071 -5.604 1.426 1.00 0.00 H new ATOM 571 N ARG A 38 8.286 -1.852 3.794 1.00 0.00 N ATOM 572 CA ARG A 38 8.641 -0.909 4.850 1.00 0.00 C ATOM 573 C ARG A 38 8.533 0.554 4.419 1.00 0.00 C ATOM 574 O ARG A 38 8.166 1.409 5.238 1.00 0.00 O ATOM 575 CB ARG A 38 10.032 -1.163 5.466 1.00 0.00 C ATOM 576 CG ARG A 38 10.264 -2.557 6.040 1.00 0.00 C ATOM 577 CD ARG A 38 9.109 -3.032 6.898 1.00 0.00 C ATOM 578 NE ARG A 38 8.767 -2.101 7.994 1.00 0.00 N ATOM 579 CZ ARG A 38 7.616 -2.126 8.698 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.700 -3.071 8.462 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.399 -1.215 9.643 1.00 0.00 N ATOM 0 H ARG A 38 9.049 -2.451 3.478 1.00 0.00 H new ATOM 0 HA ARG A 38 7.893 -1.095 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.786 -0.976 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.195 -0.433 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.419 -3.262 5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.177 -2.554 6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.232 -3.175 6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.358 -4.005 7.322 1.00 0.00 H new ATOM 0 HE ARG A 38 9.453 -1.386 8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.869 -3.778 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.832 -3.085 8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.102 -0.500 9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.530 -1.231 10.177 1.00 0.00 H new ATOM 595 N GLU A 39 8.832 0.864 3.163 1.00 0.00 N ATOM 596 CA GLU A 39 8.770 2.258 2.744 1.00 0.00 C ATOM 597 C GLU A 39 7.328 2.664 2.558 1.00 0.00 C ATOM 598 O GLU A 39 6.915 3.767 2.950 1.00 0.00 O ATOM 599 CB GLU A 39 9.592 2.552 1.466 1.00 0.00 C ATOM 600 CG GLU A 39 9.031 2.006 0.170 1.00 0.00 C ATOM 601 CD GLU A 39 9.854 2.419 -1.006 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.809 1.702 -1.354 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.582 3.493 -1.594 1.00 0.00 O ATOM 0 H GLU A 39 9.109 0.198 2.442 1.00 0.00 H new ATOM 0 HA GLU A 39 9.226 2.853 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.695 3.632 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.595 2.147 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.990 0.918 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.008 2.358 0.040 1.00 0.00 H new ATOM 610 N PHE A 40 6.554 1.749 2.026 1.00 0.00 N ATOM 611 CA PHE A 40 5.176 1.988 1.748 1.00 0.00 C ATOM 612 C PHE A 40 4.357 2.027 3.018 1.00 0.00 C ATOM 613 O PHE A 40 3.537 2.917 3.198 1.00 0.00 O ATOM 614 CB PHE A 40 4.654 0.989 0.731 1.00 0.00 C ATOM 615 CG PHE A 40 5.281 1.160 -0.643 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.129 2.345 -1.347 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.014 0.139 -1.227 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.694 2.505 -2.597 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.582 0.293 -2.478 1.00 0.00 C ATOM 620 CZ PHE A 40 6.423 1.478 -3.163 1.00 0.00 C ATOM 0 H PHE A 40 6.874 0.814 1.775 1.00 0.00 H new ATOM 0 HA PHE A 40 5.076 2.975 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.848 -0.022 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.572 1.095 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.561 3.154 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.144 -0.792 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.566 3.434 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.149 -0.514 -2.918 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.867 1.603 -4.139 1.00 0.00 H new ATOM 630 N GLU A 41 4.646 1.124 3.928 1.00 0.00 N ATOM 631 CA GLU A 41 3.992 1.085 5.215 1.00 0.00 C ATOM 632 C GLU A 41 4.290 2.268 6.107 1.00 0.00 C ATOM 633 O GLU A 41 3.594 2.515 7.079 1.00 0.00 O ATOM 634 CB GLU A 41 4.147 -0.261 5.919 1.00 0.00 C ATOM 635 CG GLU A 41 3.120 -1.227 5.386 1.00 0.00 C ATOM 636 CD GLU A 41 1.781 -0.537 5.389 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.270 -0.282 6.487 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.251 -0.200 4.321 1.00 0.00 O ATOM 0 H GLU A 41 5.345 0.393 3.795 1.00 0.00 H new ATOM 0 HA GLU A 41 2.931 1.186 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.151 -0.655 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.022 -0.138 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.383 -1.543 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.086 -2.125 6.003 1.00 0.00 H new ATOM 645 N ARG A 42 5.317 3.007 5.788 1.00 0.00 N ATOM 646 CA ARG A 42 5.626 4.198 6.550 1.00 0.00 C ATOM 647 C ARG A 42 4.822 5.361 5.992 1.00 0.00 C ATOM 648 O ARG A 42 4.511 6.318 6.686 1.00 0.00 O ATOM 649 CB ARG A 42 7.093 4.503 6.436 1.00 0.00 C ATOM 650 CG ARG A 42 7.612 5.429 7.506 1.00 0.00 C ATOM 651 CD ARG A 42 7.514 4.774 8.876 1.00 0.00 C ATOM 652 NE ARG A 42 8.039 5.604 9.954 1.00 0.00 N ATOM 653 CZ ARG A 42 8.037 5.249 11.247 1.00 0.00 C ATOM 654 NH1 ARG A 42 7.531 4.069 11.624 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.538 6.071 12.164 1.00 0.00 N ATOM 0 H ARG A 42 5.952 2.813 5.014 1.00 0.00 H new ATOM 0 HA ARG A 42 5.373 4.041 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.652 3.568 6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.286 4.948 5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.649 5.691 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.041 6.357 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.470 4.539 9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.056 3.829 8.858 1.00 0.00 H new ATOM 0 HE ARG A 42 8.433 6.512 9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.144 3.434 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.532 3.805 12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.924 6.973 11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.536 5.800 13.147 1.00 0.00 H new ATOM 669 N LEU A 43 4.502 5.251 4.735 1.00 0.00 N ATOM 670 CA LEU A 43 3.707 6.242 4.028 1.00 0.00 C ATOM 671 C LEU A 43 2.256 6.158 4.469 1.00 0.00 C ATOM 672 O LEU A 43 1.587 7.174 4.700 1.00 0.00 O ATOM 673 CB LEU A 43 3.799 5.986 2.521 1.00 0.00 C ATOM 674 CG LEU A 43 5.149 6.229 1.873 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.124 5.757 0.430 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.500 7.709 1.936 1.00 0.00 C ATOM 0 H LEU A 43 4.785 4.462 4.154 1.00 0.00 H new ATOM 0 HA LEU A 43 4.090 7.237 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.512 4.951 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.063 6.617 2.022 1.00 0.00 H new ATOM 0 HG LEU A 43 5.909 5.666 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.097 5.935 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.898 4.691 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.359 6.306 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.471 7.873 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.741 8.286 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.540 8.029 2.977 1.00 0.00 H new ATOM 688 N THR A 44 1.796 4.957 4.600 1.00 0.00 N ATOM 689 CA THR A 44 0.439 4.669 4.957 1.00 0.00 C ATOM 690 C THR A 44 0.254 4.753 6.446 1.00 0.00 C ATOM 691 O THR A 44 -0.799 5.229 6.941 1.00 0.00 O ATOM 692 CB THR A 44 0.126 3.249 4.491 1.00 0.00 C ATOM 693 OG1 THR A 44 1.104 2.377 5.042 1.00 0.00 O ATOM 694 CG2 THR A 44 0.223 3.194 3.007 1.00 0.00 C ATOM 0 H THR A 44 2.367 4.124 4.458 1.00 0.00 H new ATOM 0 HA THR A 44 -0.227 5.393 4.488 1.00 0.00 H new ATOM 0 HB THR A 44 -0.875 2.957 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.137 1.550 4.518 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.001 2.183 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.492 3.890 2.570 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.232 3.468 2.698 1.00 0.00 H new ATOM 702 N GLU A 45 1.302 4.281 7.163 1.00 0.00 N ATOM 703 CA GLU A 45 1.309 4.122 8.605 1.00 0.00 C ATOM 704 C GLU A 45 0.216 3.126 8.930 1.00 0.00 C ATOM 705 O GLU A 45 -0.330 3.108 10.035 1.00 0.00 O ATOM 706 CB GLU A 45 1.022 5.439 9.306 1.00 0.00 C ATOM 707 CG GLU A 45 1.947 6.579 8.995 1.00 0.00 C ATOM 708 CD GLU A 45 1.562 7.798 9.779 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.433 8.316 9.589 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.335 8.234 10.649 1.00 0.00 O ATOM 0 H GLU A 45 2.180 3.998 6.727 1.00 0.00 H new ATOM 0 HA GLU A 45 2.287 3.782 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.007 5.745 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.045 5.265 10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.973 6.297 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.915 6.800 7.928 1.00 0.00 H new ATOM 717 N HIS A 46 -0.068 2.264 7.968 1.00 0.00 N ATOM 718 CA HIS A 46 -1.185 1.410 8.056 1.00 0.00 C ATOM 719 C HIS A 46 -0.927 0.241 9.043 1.00 0.00 C ATOM 720 O HIS A 46 0.004 -0.527 8.906 1.00 0.00 O ATOM 721 CB HIS A 46 -1.675 0.967 6.651 1.00 0.00 C ATOM 722 CG HIS A 46 -2.986 0.286 6.713 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.142 -0.968 7.206 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.223 0.783 6.553 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.430 -1.179 7.383 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.142 -0.151 6.987 1.00 0.00 N ATOM 0 H HIS A 46 0.483 2.155 7.116 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.017 1.969 8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.749 1.839 6.001 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.939 0.298 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.461 1.756 6.150 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.847 -2.083 7.801 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.158 -0.061 6.998 1.00 0.00 H new ATOM 734 N PRO A 47 -1.807 0.103 10.027 1.00 0.00 N ATOM 735 CA PRO A 47 -1.658 -0.818 11.167 1.00 0.00 C ATOM 736 C PRO A 47 -1.401 -2.233 10.792 1.00 0.00 C ATOM 737 O PRO A 47 -0.588 -2.935 11.407 1.00 0.00 O ATOM 738 CB PRO A 47 -3.006 -0.742 11.849 1.00 0.00 C ATOM 739 CG PRO A 47 -3.901 0.026 10.966 1.00 0.00 C ATOM 740 CD PRO A 47 -3.049 0.838 10.108 1.00 0.00 C ATOM 0 HA PRO A 47 -0.798 -0.528 11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.404 -1.741 12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.918 -0.258 12.822 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.524 -0.642 10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.574 0.655 11.549 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.494 0.974 9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.895 1.832 10.528 1.00 0.00 H new ATOM 748 N ASP A 48 -2.064 -2.638 9.784 1.00 0.00 N ATOM 749 CA ASP A 48 -2.030 -3.968 9.361 1.00 0.00 C ATOM 750 C ASP A 48 -1.595 -3.960 7.938 1.00 0.00 C ATOM 751 O ASP A 48 -1.869 -4.858 7.206 1.00 0.00 O ATOM 752 CB ASP A 48 -3.420 -4.633 9.511 1.00 0.00 C ATOM 753 CG ASP A 48 -3.873 -4.754 10.953 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.454 -5.701 11.650 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.661 -3.909 11.424 1.00 0.00 O ATOM 0 H ASP A 48 -2.660 -2.034 9.218 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.338 -4.548 9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.155 -4.052 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.391 -5.626 9.062 1.00 0.00 H new ATOM 760 N GLY A 49 -0.902 -2.891 7.566 1.00 0.00 N ATOM 761 CA GLY A 49 -0.438 -2.699 6.162 1.00 0.00 C ATOM 762 C GLY A 49 0.374 -3.810 5.632 1.00 0.00 C ATOM 763 O GLY A 49 0.107 -4.322 4.546 1.00 0.00 O ATOM 0 H GLY A 49 -0.640 -2.136 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.308 -2.562 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.146 -1.780 6.107 1.00 0.00 H new ATOM 767 N SER A 50 1.338 -4.201 6.373 1.00 0.00 N ATOM 768 CA SER A 50 2.140 -5.347 5.986 1.00 0.00 C ATOM 769 C SER A 50 1.264 -6.620 5.908 1.00 0.00 C ATOM 770 O SER A 50 1.331 -7.390 4.946 1.00 0.00 O ATOM 771 CB SER A 50 3.317 -5.496 6.941 1.00 0.00 C ATOM 772 OG SER A 50 2.929 -5.129 8.266 1.00 0.00 O ATOM 0 H SER A 50 1.609 -3.761 7.253 1.00 0.00 H new ATOM 0 HA SER A 50 2.550 -5.192 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.674 -6.526 6.931 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.145 -4.869 6.610 1.00 0.00 H new ATOM 0 HG SER A 50 3.693 -5.231 8.871 1.00 0.00 H new ATOM 778 N ASP A 51 0.382 -6.758 6.883 1.00 0.00 N ATOM 779 CA ASP A 51 -0.560 -7.879 6.990 1.00 0.00 C ATOM 780 C ASP A 51 -1.485 -7.925 5.785 1.00 0.00 C ATOM 781 O ASP A 51 -1.826 -8.981 5.328 1.00 0.00 O ATOM 782 CB ASP A 51 -1.417 -7.743 8.254 1.00 0.00 C ATOM 783 CG ASP A 51 -0.611 -7.680 9.520 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.137 -6.699 9.719 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.720 -8.589 10.352 1.00 0.00 O ATOM 0 H ASP A 51 0.292 -6.084 7.643 1.00 0.00 H new ATOM 0 HA ASP A 51 0.027 -8.796 7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.026 -6.843 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.103 -8.588 8.311 1.00 0.00 H new ATOM 790 N LEU A 52 -1.847 -6.748 5.257 1.00 0.00 N ATOM 791 CA LEU A 52 -2.751 -6.607 4.086 1.00 0.00 C ATOM 792 C LEU A 52 -2.257 -7.407 2.913 1.00 0.00 C ATOM 793 O LEU A 52 -3.038 -8.005 2.175 1.00 0.00 O ATOM 794 CB LEU A 52 -2.844 -5.132 3.623 1.00 0.00 C ATOM 795 CG LEU A 52 -3.367 -4.116 4.620 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.416 -2.748 3.984 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.728 -4.513 5.132 1.00 0.00 C ATOM 0 H LEU A 52 -1.523 -5.854 5.627 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.727 -6.969 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.849 -4.815 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.483 -5.096 2.740 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.687 -4.085 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.793 -2.024 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.414 -2.458 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.077 -2.773 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.080 -3.768 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.427 -4.575 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.663 -5.484 5.624 1.00 0.00 H new ATOM 809 N ILE A 53 -0.968 -7.435 2.779 1.00 0.00 N ATOM 810 CA ILE A 53 -0.328 -8.042 1.642 1.00 0.00 C ATOM 811 C ILE A 53 -0.185 -9.537 1.852 1.00 0.00 C ATOM 812 O ILE A 53 -0.362 -10.343 0.928 1.00 0.00 O ATOM 813 CB ILE A 53 1.073 -7.411 1.457 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.940 -5.885 1.349 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.784 -7.983 0.226 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.252 -5.147 1.370 1.00 0.00 C ATOM 0 H ILE A 53 -0.320 -7.035 3.458 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.937 -7.870 0.754 1.00 0.00 H new ATOM 0 HB ILE A 53 1.682 -7.656 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.414 -5.642 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.321 -5.527 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.765 -7.519 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.902 -9.060 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.191 -7.777 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.068 -4.076 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.772 -5.357 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.867 -5.474 0.531 1.00 0.00 H new ATOM 828 N TYR A 54 0.087 -9.894 3.069 1.00 0.00 N ATOM 829 CA TYR A 54 0.420 -11.244 3.415 1.00 0.00 C ATOM 830 C TYR A 54 -0.768 -12.102 3.873 1.00 0.00 C ATOM 831 O TYR A 54 -0.771 -13.315 3.675 1.00 0.00 O ATOM 832 CB TYR A 54 1.526 -11.229 4.451 1.00 0.00 C ATOM 833 CG TYR A 54 2.846 -10.696 3.923 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.568 -11.401 2.975 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.358 -9.487 4.363 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.762 -10.917 2.481 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.549 -8.990 3.879 1.00 0.00 C ATOM 838 CZ TYR A 54 5.250 -9.715 2.936 1.00 0.00 C ATOM 839 OH TYR A 54 6.445 -9.236 2.444 1.00 0.00 O ATOM 0 H TYR A 54 0.084 -9.250 3.860 1.00 0.00 H new ATOM 0 HA TYR A 54 0.761 -11.730 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.211 -10.620 5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.676 -12.242 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.190 -12.347 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.812 -8.920 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.311 -11.480 1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.930 -8.044 4.234 1.00 0.00 H new ATOM 0 HH TYR A 54 7.023 -9.988 2.199 1.00 0.00 H new ATOM 849 N TYR A 55 -1.758 -11.497 4.471 1.00 0.00 N ATOM 850 CA TYR A 55 -2.897 -12.214 4.993 1.00 0.00 C ATOM 851 C TYR A 55 -4.186 -11.483 4.661 1.00 0.00 C ATOM 852 O TYR A 55 -4.410 -10.365 5.136 1.00 0.00 O ATOM 853 CB TYR A 55 -2.794 -12.398 6.522 1.00 0.00 C ATOM 854 CG TYR A 55 -1.653 -13.281 6.981 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.779 -14.663 6.963 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.457 -12.737 7.437 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.751 -15.481 7.384 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.580 -13.549 7.860 1.00 0.00 C ATOM 859 CZ TYR A 55 0.424 -14.925 7.829 1.00 0.00 C ATOM 860 OH TYR A 55 1.450 -15.749 8.251 1.00 0.00 O ATOM 0 H TYR A 55 -1.801 -10.488 4.612 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.905 -13.197 4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.685 -11.417 6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.730 -12.820 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.699 -15.106 6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.336 -11.664 7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.869 -16.554 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.504 -13.114 8.212 1.00 0.00 H new ATOM 0 HH TYR A 55 2.213 -15.203 8.534 1.00 0.00 H new ATOM 870 N PRO A 56 -5.003 -12.063 3.776 1.00 0.00 N ATOM 871 CA PRO A 56 -6.345 -11.552 3.468 1.00 0.00 C ATOM 872 C PRO A 56 -7.168 -11.410 4.755 1.00 0.00 C ATOM 873 O PRO A 56 -7.359 -12.389 5.487 1.00 0.00 O ATOM 874 CB PRO A 56 -6.946 -12.644 2.578 1.00 0.00 C ATOM 875 CG PRO A 56 -5.773 -13.327 1.967 1.00 0.00 C ATOM 876 CD PRO A 56 -4.661 -13.240 2.972 1.00 0.00 C ATOM 0 HA PRO A 56 -6.330 -10.570 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.550 -13.340 3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.597 -12.218 1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.006 -14.366 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.489 -12.847 1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.605 -14.140 3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.692 -13.124 2.487 1.00 0.00 H new ATOM 884 N ARG A 57 -7.614 -10.193 5.036 1.00 0.00 N ATOM 885 CA ARG A 57 -8.331 -9.882 6.276 1.00 0.00 C ATOM 886 C ARG A 57 -9.697 -10.560 6.408 1.00 0.00 C ATOM 887 O ARG A 57 -9.801 -11.731 6.797 1.00 0.00 O ATOM 888 CB ARG A 57 -8.447 -8.366 6.497 1.00 0.00 C ATOM 889 CG ARG A 57 -7.118 -7.646 6.613 1.00 0.00 C ATOM 890 CD ARG A 57 -7.319 -6.153 6.786 1.00 0.00 C ATOM 891 NE ARG A 57 -7.947 -5.802 8.062 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.773 -4.760 8.247 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.232 -4.068 7.217 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.171 -4.443 9.468 1.00 0.00 N ATOM 0 H ARG A 57 -7.492 -9.392 4.416 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.715 -10.308 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.010 -7.933 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.024 -8.187 7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.559 -8.042 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.520 -7.835 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.354 -5.652 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.936 -5.778 5.969 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.742 -6.392 8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.959 -4.324 6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.859 -3.278 7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.850 -4.990 10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.799 -3.652 9.610 1.00 0.00 H new ATOM 908 N ASP A 58 -10.719 -9.845 6.070 1.00 0.00 N ATOM 909 CA ASP A 58 -12.087 -10.324 6.249 1.00 0.00 C ATOM 910 C ASP A 58 -12.803 -10.427 4.920 1.00 0.00 C ATOM 911 O ASP A 58 -13.110 -11.515 4.443 1.00 0.00 O ATOM 912 CB ASP A 58 -12.848 -9.369 7.188 1.00 0.00 C ATOM 913 CG ASP A 58 -14.281 -9.780 7.484 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.499 -10.541 8.452 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.230 -9.293 6.797 1.00 0.00 O ATOM 0 H ASP A 58 -10.650 -8.913 5.662 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.052 -11.319 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.303 -9.296 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.854 -8.373 6.745 1.00 0.00 H new ATOM 920 N ASP A 59 -13.025 -9.295 4.310 1.00 0.00 N ATOM 921 CA ASP A 59 -13.759 -9.212 3.055 1.00 0.00 C ATOM 922 C ASP A 59 -12.806 -8.986 1.895 1.00 0.00 C ATOM 923 O ASP A 59 -13.204 -8.934 0.725 1.00 0.00 O ATOM 924 CB ASP A 59 -14.786 -8.065 3.139 1.00 0.00 C ATOM 925 CG ASP A 59 -15.555 -7.837 1.852 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.390 -8.697 1.485 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.301 -6.808 1.167 1.00 0.00 O ATOM 0 H ASP A 59 -12.704 -8.393 4.663 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.283 -10.152 2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.493 -8.281 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.268 -7.145 3.410 1.00 0.00 H new ATOM 932 N ARG A 60 -11.547 -8.891 2.199 1.00 0.00 N ATOM 933 CA ARG A 60 -10.600 -8.563 1.187 1.00 0.00 C ATOM 934 C ARG A 60 -10.330 -9.594 0.170 1.00 0.00 C ATOM 935 O ARG A 60 -10.233 -10.793 0.434 1.00 0.00 O ATOM 936 CB ARG A 60 -9.322 -7.942 1.674 1.00 0.00 C ATOM 937 CG ARG A 60 -9.442 -6.475 2.004 1.00 0.00 C ATOM 938 CD ARG A 60 -9.976 -5.633 0.814 1.00 0.00 C ATOM 939 NE ARG A 60 -11.442 -5.787 0.619 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.097 -5.749 -0.559 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.450 -5.438 -1.689 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.399 -6.016 -0.600 1.00 0.00 N ATOM 0 H ARG A 60 -11.158 -9.035 3.131 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.157 -7.783 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.984 -8.477 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.553 -8.071 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.108 -6.353 2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.466 -6.094 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.744 -4.582 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.458 -5.930 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.006 -5.936 1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.452 -5.227 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.955 -5.412 -2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.899 -6.249 0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.898 -5.988 -1.489 1.00 0.00 H new ATOM 956 N GLU A 61 -10.235 -9.084 -0.992 1.00 0.00 N ATOM 957 CA GLU A 61 -9.863 -9.778 -2.139 1.00 0.00 C ATOM 958 C GLU A 61 -8.391 -9.534 -2.291 1.00 0.00 C ATOM 959 O GLU A 61 -7.930 -8.396 -2.058 1.00 0.00 O ATOM 960 CB GLU A 61 -10.623 -9.182 -3.321 1.00 0.00 C ATOM 961 CG GLU A 61 -10.274 -9.789 -4.647 1.00 0.00 C ATOM 962 CD GLU A 61 -10.486 -11.274 -4.660 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.634 -11.720 -4.841 1.00 0.00 O ATOM 964 OE2 GLU A 61 -9.513 -12.018 -4.469 1.00 0.00 O ATOM 0 H GLU A 61 -10.431 -8.099 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.082 -10.844 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.692 -9.303 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.426 -8.111 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.881 -9.330 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.233 -9.570 -4.883 1.00 0.00 H new ATOM 971 N ASP A 62 -7.649 -10.544 -2.636 1.00 0.00 N ATOM 972 CA ASP A 62 -6.233 -10.370 -2.800 1.00 0.00 C ATOM 973 C ASP A 62 -5.961 -9.836 -4.171 1.00 0.00 C ATOM 974 O ASP A 62 -5.746 -10.584 -5.125 1.00 0.00 O ATOM 975 CB ASP A 62 -5.438 -11.650 -2.547 1.00 0.00 C ATOM 976 CG ASP A 62 -3.937 -11.428 -2.701 1.00 0.00 C ATOM 977 OD1 ASP A 62 -3.300 -10.934 -1.761 1.00 0.00 O ATOM 978 OD2 ASP A 62 -3.366 -11.770 -3.767 1.00 0.00 O ATOM 0 H ASP A 62 -7.994 -11.488 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.897 -9.657 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.649 -12.016 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.764 -12.423 -3.243 1.00 0.00 H new ATOM 983 N SER A 63 -6.125 -8.569 -4.304 1.00 0.00 N ATOM 984 CA SER A 63 -5.862 -7.923 -5.512 1.00 0.00 C ATOM 985 C SER A 63 -5.102 -6.668 -5.192 1.00 0.00 C ATOM 986 O SER A 63 -5.249 -6.135 -4.072 1.00 0.00 O ATOM 987 CB SER A 63 -7.198 -7.608 -6.175 1.00 0.00 C ATOM 988 OG SER A 63 -8.042 -6.902 -5.277 1.00 0.00 O ATOM 0 H SER A 63 -6.451 -7.954 -3.558 1.00 0.00 H new ATOM 0 HA SER A 63 -5.271 -8.535 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.034 -7.013 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.683 -8.533 -6.489 1.00 0.00 H new ATOM 0 HG SER A 63 -8.895 -6.705 -5.717 1.00 0.00 H new ATOM 994 N PRO A 64 -4.254 -6.177 -6.109 1.00 0.00 N ATOM 995 CA PRO A 64 -3.558 -4.924 -5.913 1.00 0.00 C ATOM 996 C PRO A 64 -4.579 -3.786 -5.639 1.00 0.00 C ATOM 997 O PRO A 64 -4.331 -2.911 -4.829 1.00 0.00 O ATOM 998 CB PRO A 64 -2.742 -4.744 -7.233 1.00 0.00 C ATOM 999 CG PRO A 64 -2.609 -6.122 -7.757 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.875 -6.827 -7.378 1.00 0.00 C ATOM 0 HA PRO A 64 -2.895 -4.904 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.261 -4.096 -7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.768 -4.293 -7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.473 -6.118 -8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.740 -6.621 -7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.646 -6.707 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.717 -7.898 -7.251 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.766 -3.883 -6.249 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.838 -2.913 -6.013 1.00 0.00 C ATOM 1010 C GLU A 65 -7.466 -3.090 -4.625 1.00 0.00 C ATOM 1011 O GLU A 65 -7.781 -2.105 -3.950 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.916 -3.014 -7.089 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.421 -2.713 -8.489 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.481 -2.883 -9.524 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.817 -4.039 -9.858 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.981 -1.868 -10.045 1.00 0.00 O ATOM 0 H GLU A 65 -6.007 -4.623 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.387 -1.922 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.338 -4.019 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.724 -2.325 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.045 -1.691 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.583 -3.369 -8.722 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.632 -4.335 -4.203 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.244 -4.623 -2.927 1.00 0.00 C ATOM 1025 C GLY A 66 -7.388 -4.208 -1.753 1.00 0.00 C ATOM 1026 O GLY A 66 -7.895 -3.659 -0.779 1.00 0.00 O ATOM 0 H GLY A 66 -7.348 -5.160 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.205 -4.111 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.447 -5.692 -2.861 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.102 -4.457 -1.855 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.152 -4.113 -0.798 1.00 0.00 C ATOM 1032 C ILE A 67 -5.018 -2.592 -0.657 1.00 0.00 C ATOM 1033 O ILE A 67 -5.003 -2.053 0.456 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.785 -4.803 -1.057 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.973 -6.335 -0.974 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.715 -4.318 -0.075 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.748 -7.152 -1.323 1.00 0.00 C ATOM 0 H ILE A 67 -5.676 -4.903 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.531 -4.486 0.154 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.434 -4.537 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.286 -6.593 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.785 -6.623 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.772 -4.822 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.583 -3.241 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.027 -4.545 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.981 -8.213 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.443 -6.931 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.937 -6.901 -0.640 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.992 -1.901 -1.785 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.956 -0.445 -1.787 1.00 0.00 C ATOM 1051 C VAL A 68 -6.252 0.116 -1.218 1.00 0.00 C ATOM 1052 O VAL A 68 -6.267 1.187 -0.582 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.699 0.106 -3.213 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.827 1.627 -3.281 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.325 -0.270 -3.621 1.00 0.00 C ATOM 0 H VAL A 68 -4.995 -2.324 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.130 -0.124 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.450 -0.322 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.638 1.963 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.833 1.921 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.101 2.084 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.126 0.110 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.608 0.159 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.229 -1.356 -3.619 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.326 -0.633 -1.380 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.597 -0.185 -0.921 1.00 0.00 C ATOM 1067 C LYS A 69 -8.649 -0.114 0.600 1.00 0.00 C ATOM 1068 O LYS A 69 -9.270 0.782 1.160 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.744 -1.021 -1.442 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.016 -0.255 -1.248 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.197 -0.836 -1.916 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.337 0.145 -1.721 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.557 -0.226 -2.463 1.00 0.00 N ATOM 0 H LYS A 69 -7.329 -1.550 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.719 0.819 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.597 -1.250 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.790 -1.973 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.220 -0.181 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.871 0.761 -1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.002 -0.996 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.445 -1.807 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.572 0.212 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.013 1.136 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.298 0.483 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.346 -0.264 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.888 -1.159 -2.143 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.996 -1.048 1.255 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.909 -1.043 2.715 1.00 0.00 C ATOM 1089 C GLU A 70 -7.257 0.237 3.169 1.00 0.00 C ATOM 1090 O GLU A 70 -7.780 0.968 4.008 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.079 -2.222 3.177 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.703 -3.543 2.872 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.981 -3.747 3.633 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.041 -3.271 3.181 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.958 -4.420 4.657 1.00 0.00 O ATOM 0 H GLU A 70 -7.513 -1.827 0.807 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.910 -1.116 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.098 -2.174 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.918 -2.144 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.902 -3.612 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.002 -4.341 3.118 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.153 0.526 2.538 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.369 1.683 2.821 1.00 0.00 C ATOM 1104 C ILE A 71 -6.113 2.978 2.571 1.00 0.00 C ATOM 1105 O ILE A 71 -6.045 3.895 3.406 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.030 1.608 2.082 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.230 0.552 2.780 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.284 2.940 2.101 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.995 0.140 2.087 1.00 0.00 C ATOM 0 H ILE A 71 -5.768 -0.056 1.794 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.158 1.690 3.890 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.192 1.371 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.966 0.915 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.860 -0.326 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.341 2.836 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.893 3.705 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.085 3.231 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.488 -0.627 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.245 -0.259 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.338 1.002 1.972 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.809 3.087 1.443 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.577 4.252 1.193 1.00 0.00 C ATOM 1123 C LYS A 72 -8.689 4.388 2.198 1.00 0.00 C ATOM 1124 O LYS A 72 -8.665 5.307 2.927 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.101 4.363 -0.254 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.217 3.422 -0.652 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.504 3.465 -2.146 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.124 4.800 -2.536 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.537 4.825 -3.947 1.00 0.00 N ATOM 0 H LYS A 72 -6.843 2.379 0.709 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.893 5.092 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.446 5.385 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.263 4.201 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.951 2.405 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.122 3.682 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.580 3.311 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.179 2.652 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.988 4.997 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.406 5.600 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.394 5.405 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.774 5.231 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.736 3.856 -4.268 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.565 3.387 2.318 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.773 3.504 3.140 1.00 0.00 C ATOM 1145 C GLU A 73 -10.465 3.745 4.609 1.00 0.00 C ATOM 1146 O GLU A 73 -11.168 4.504 5.286 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.682 2.290 2.975 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.153 2.056 1.546 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.895 3.234 0.963 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.091 3.390 1.249 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.310 3.995 0.181 1.00 0.00 O ATOM 0 H GLU A 73 -9.460 2.484 1.855 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.302 4.384 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.152 1.403 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.554 2.412 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.291 1.832 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.801 1.180 1.523 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.419 3.122 5.103 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.022 3.300 6.477 1.00 0.00 C ATOM 1160 C TRP A 74 -8.528 4.736 6.703 1.00 0.00 C ATOM 1161 O TRP A 74 -9.005 5.425 7.591 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.965 2.272 6.845 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.495 2.334 8.253 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.100 1.806 9.352 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.300 2.942 8.706 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.331 2.042 10.458 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.221 2.738 10.085 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.289 3.635 8.062 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.161 3.202 10.839 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.236 4.110 8.792 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.169 3.887 10.177 1.00 0.00 C ATOM 0 H TRP A 74 -8.827 2.485 4.569 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.881 3.143 7.130 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.366 1.276 6.655 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.107 2.402 6.185 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.044 1.281 9.351 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.553 1.745 11.408 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.332 3.798 6.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.113 3.034 11.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.449 4.662 8.300 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.322 4.261 10.733 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.620 5.197 5.852 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.096 6.569 5.932 1.00 0.00 C ATOM 1184 C ARG A 75 -8.171 7.583 5.573 1.00 0.00 C ATOM 1185 O ARG A 75 -8.200 8.689 6.123 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.884 6.715 5.027 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.589 6.204 5.646 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.606 5.712 4.610 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.283 6.725 3.600 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.776 6.756 2.347 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.741 5.927 1.988 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.328 7.641 1.476 1.00 0.00 N ATOM 0 H ARG A 75 -7.225 4.643 5.092 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.788 6.766 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.069 6.176 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.761 7.766 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.129 7.002 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.817 5.394 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.689 5.398 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.018 4.832 4.115 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.634 7.465 3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.116 5.259 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.110 5.955 1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.605 8.306 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.705 7.660 0.528 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.057 7.170 4.688 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.189 7.942 4.217 1.00 0.00 C ATOM 1208 C ALA A 76 -11.125 8.279 5.387 1.00 0.00 C ATOM 1209 O ALA A 76 -11.588 9.408 5.523 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.935 7.162 3.090 1.00 0.00 C ATOM 0 H ALA A 76 -9.005 6.246 4.259 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.835 8.883 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.784 7.750 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.253 6.983 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.289 6.208 3.481 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.357 7.297 6.251 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.207 7.477 7.428 1.00 0.00 C ATOM 1218 C ALA A 77 -11.432 8.116 8.573 1.00 0.00 C ATOM 1219 O ALA A 77 -11.980 8.882 9.370 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.752 6.136 7.884 1.00 0.00 C ATOM 0 H ALA A 77 -10.966 6.360 6.159 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.029 8.137 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.384 6.279 8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.340 5.690 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.924 5.474 8.138 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.168 7.781 8.645 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.273 8.216 9.720 1.00 0.00 C ATOM 1228 C ASN A 78 -8.977 9.699 9.626 1.00 0.00 C ATOM 1229 O ASN A 78 -8.809 10.385 10.641 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.969 7.441 9.608 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.526 6.806 10.895 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.759 7.382 11.664 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.015 5.620 11.142 1.00 0.00 N ATOM 0 H ASN A 78 -9.712 7.188 7.952 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.759 8.026 10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.083 6.665 8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.186 8.114 9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.763 5.134 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.649 5.180 10.474 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.924 10.191 8.412 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.592 11.567 8.194 1.00 0.00 C ATOM 1242 C GLY A 79 -7.103 11.727 8.039 1.00 0.00 C ATOM 1243 O GLY A 79 -6.505 12.665 8.561 1.00 0.00 O ATOM 0 H GLY A 79 -9.107 9.655 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.099 11.933 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.944 12.170 9.031 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.497 10.783 7.361 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.090 10.804 7.105 1.00 0.00 C ATOM 1249 C LYS A 80 -4.822 11.362 5.726 1.00 0.00 C ATOM 1250 O LYS A 80 -5.749 11.817 5.048 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.505 9.401 7.232 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.306 8.908 8.658 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.243 7.830 8.698 1.00 0.00 C ATOM 1254 CE LYS A 80 -2.985 7.296 10.101 1.00 0.00 C ATOM 1255 NZ LYS A 80 -1.724 6.564 10.165 1.00 0.00 N ATOM 0 H LYS A 80 -6.978 9.973 6.970 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.610 11.446 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.161 8.703 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.543 9.378 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.015 9.739 9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.245 8.517 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.546 7.006 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.314 8.229 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.964 8.124 10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.804 6.641 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.584 6.198 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.749 5.771 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.940 7.201 9.919 1.00 0.00 H new ATOM 1269 N SER A 81 -3.567 11.352 5.327 1.00 0.00 N ATOM 1270 CA SER A 81 -3.148 11.770 4.029 1.00 0.00 C ATOM 1271 C SER A 81 -3.828 10.878 2.948 1.00 0.00 C ATOM 1272 O SER A 81 -4.322 9.780 3.262 1.00 0.00 O ATOM 1273 CB SER A 81 -1.644 11.608 4.006 1.00 0.00 C ATOM 1274 OG SER A 81 -1.046 12.279 5.121 1.00 0.00 O ATOM 0 H SER A 81 -2.798 11.042 5.922 1.00 0.00 H new ATOM 0 HA SER A 81 -3.428 12.802 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.387 10.549 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.244 12.011 3.075 1.00 0.00 H new ATOM 0 HG SER A 81 -0.074 12.162 5.090 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.841 11.312 1.709 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.555 10.550 0.698 1.00 0.00 C ATOM 1282 C GLY A 82 -3.669 10.184 -0.447 1.00 0.00 C ATOM 1283 O GLY A 82 -2.462 10.029 -0.260 1.00 0.00 O ATOM 0 H GLY A 82 -3.382 12.161 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.963 9.644 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.400 11.133 0.332 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.249 9.959 -1.588 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.525 9.778 -2.789 1.00 0.00 C ATOM 1289 C PHE A 83 -3.891 10.935 -3.680 1.00 0.00 C ATOM 1290 O PHE A 83 -4.910 11.597 -3.439 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.905 8.460 -3.485 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.721 7.218 -2.638 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.474 6.926 -2.133 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.785 6.344 -2.337 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.268 5.815 -1.362 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.564 5.226 -1.560 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.307 4.964 -1.074 1.00 0.00 C ATOM 0 H PHE A 83 -5.261 9.897 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.456 9.736 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.948 8.518 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.306 8.358 -4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.646 7.584 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.775 6.550 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.281 5.605 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.380 4.556 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.135 4.089 -0.465 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.090 11.216 -4.659 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.417 12.236 -5.610 1.00 0.00 C ATOM 1309 C LYS A 84 -4.663 11.783 -6.371 1.00 0.00 C ATOM 1310 O LYS A 84 -4.763 10.624 -6.776 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.215 12.503 -6.515 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.408 13.589 -7.563 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.072 13.982 -8.204 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.397 12.817 -8.919 1.00 0.00 C ATOM 1315 NZ LYS A 84 -1.131 12.391 -10.129 1.00 0.00 N ATOM 0 H LYS A 84 -2.197 10.750 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.644 13.185 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.365 12.775 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.953 11.575 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.095 13.237 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.866 14.465 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.239 14.791 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.403 14.367 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.617 13.104 -9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.314 11.974 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.181 11.353 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.094 12.784 -10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.635 12.736 -10.975 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.599 12.689 -6.542 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.953 12.369 -7.056 1.00 0.00 C ATOM 1331 C GLN A 85 -7.019 12.134 -8.566 1.00 0.00 C ATOM 1332 O GLN A 85 -8.092 12.125 -9.157 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.998 13.429 -6.610 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.903 14.835 -7.259 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.565 15.530 -7.070 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.340 16.220 -6.076 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -5.686 15.398 -8.041 1.00 0.00 N ATOM 0 H GLN A 85 -5.463 13.678 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.207 11.412 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.992 13.030 -6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.917 13.549 -5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.102 14.742 -8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.688 15.467 -6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.904 14.818 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.787 15.875 -7.983 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.914 11.887 -9.147 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.848 11.669 -10.554 1.00 0.00 C ATOM 1348 C GLY A 86 -4.735 12.460 -11.119 1.00 0.00 C ATOM 1349 O GLY A 86 -3.757 12.701 -10.384 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.809 12.883 -12.283 1.00 0.00 O ATOM 0 H GLY A 86 -5.016 11.827 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.699 10.610 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.789 11.957 -11.023 1.00 0.00 H new