USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 628 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 79 GLN : amide:sc= -0.0726 K(o=-0.073,f=-1.8!) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= -0.33 USER MOD Set 2.2: A 85 GLN : amide:sc= 0 X(o=-0.33,f=-0.33) USER MOD Set 3.1: A 8 CYS SG : rot -162:sc= -0.271 USER MOD Set 3.2: A 11 CYS SG : rot -126:sc= -0.507 USER MOD Set 3.3: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 3.4: A 31 CYS SG : rot -56:sc= 0.645 USER MOD Set 3.5: A 34 CYS SG : rot 84:sc= 0.574 USER MOD Set 4.1: A 26 CYS SG : rot 104:sc= 0.524 USER MOD Set 4.2: A 28 CYS SG : rot 49:sc= 2.39 USER MOD Set 4.3: A 53 CYS SG : rot -150:sc= -1.11 USER MOD Set 4.4: A 58 CYS SG : rot 113:sc= 0.673 USER MOD Set 5.1: A 25 GLN : amide:sc= -0.183 K(o=-3.9,f=-4.5) USER MOD Set 5.2: A 63 HIS : no HD1:sc= 0.187 K(o=-3.9,f=-5.5!) USER MOD Set 5.3: A 65 GLN : amide:sc= -3.91! C(o=-3.9!,f=-5.2!) USER MOD Single : A 6 SER OG : rot -110:sc= -1.73! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 20 MET CE :methyl 136:sc= -0.289 (180deg=-1.79!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 27 GLN : amide:sc= -0.0871 X(o=-0.087,f=-0.087) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.04 K(o=-1,f=-6.1!) USER MOD Single : A 38 TYR OH : rot 155:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00347 USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= 0.249 (180deg=-0.474) USER MOD Single : A 61 GLN : amide:sc=-0.00661 X(o=-0.0066,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.807 K(o=-0.81,f=-3.2) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -115:sc= -2.96 (180deg=-6.3!) USER MOD Single : A 78 MET CE :methyl -178:sc= -1.06 (180deg=-1.09) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -12.094 -16.169 -4.293 1.00 0.00 N ATOM 49 CA SER A 6 -10.810 -16.073 -4.979 1.00 0.00 C ATOM 50 C SER A 6 -9.690 -16.647 -4.116 1.00 0.00 C ATOM 51 O SER A 6 -8.614 -16.975 -4.614 1.00 0.00 O ATOM 52 CB SER A 6 -10.504 -14.616 -5.329 1.00 0.00 C ATOM 53 OG SER A 6 -11.271 -14.187 -6.440 1.00 0.00 O ATOM 0 HA SER A 6 -10.871 -16.655 -5.899 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.716 -13.980 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.443 -14.507 -5.552 1.00 0.00 H new ATOM 0 HG SER A 6 -10.684 -14.062 -7.214 1.00 0.00 H new ATOM 59 N GLY A 7 -9.953 -16.766 -2.818 1.00 0.00 N ATOM 60 CA GLY A 7 -8.958 -17.300 -1.906 1.00 0.00 C ATOM 61 C GLY A 7 -7.729 -16.419 -1.808 1.00 0.00 C ATOM 62 O GLY A 7 -7.104 -16.096 -2.818 1.00 0.00 O ATOM 0 H GLY A 7 -10.837 -16.502 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.400 -17.413 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.662 -18.295 -2.238 1.00 0.00 H new ATOM 66 N CYS A 8 -7.380 -16.026 -0.587 1.00 0.00 N ATOM 67 CA CYS A 8 -6.219 -15.174 -0.359 1.00 0.00 C ATOM 68 C CYS A 8 -4.955 -16.011 -0.188 1.00 0.00 C ATOM 69 O CYS A 8 -5.022 -17.228 -0.007 1.00 0.00 O ATOM 70 CB CYS A 8 -6.436 -14.301 0.879 1.00 0.00 C ATOM 71 SG CYS A 8 -5.276 -12.903 1.015 1.00 0.00 S ATOM 0 H CYS A 8 -7.886 -16.285 0.260 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.094 -14.532 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.455 -13.914 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.345 -14.923 1.770 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.274 -12.458 2.237 1.00 0.00 H new ATOM 76 N LYS A 9 -3.804 -15.353 -0.249 1.00 0.00 N ATOM 77 CA LYS A 9 -2.523 -16.034 -0.100 1.00 0.00 C ATOM 78 C LYS A 9 -1.910 -15.749 1.268 1.00 0.00 C ATOM 79 O LYS A 9 -1.278 -16.617 1.869 1.00 0.00 O ATOM 80 CB LYS A 9 -1.558 -15.597 -1.204 1.00 0.00 C ATOM 81 CG LYS A 9 -1.812 -16.277 -2.538 1.00 0.00 C ATOM 82 CD LYS A 9 -1.302 -15.438 -3.698 1.00 0.00 C ATOM 83 CE LYS A 9 -1.860 -15.925 -5.026 1.00 0.00 C ATOM 84 NZ LYS A 9 -1.170 -17.156 -5.501 1.00 0.00 N ATOM 0 H LYS A 9 -3.731 -14.347 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.699 -17.106 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.634 -14.518 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.537 -15.808 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.323 -17.251 -2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.881 -16.455 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.582 -14.396 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.213 -15.475 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.926 -16.125 -4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.755 -15.139 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.580 -17.455 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.157 -16.959 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.291 -17.914 -4.800 1.00 0.00 H new ATOM 98 N LEU A 10 -2.103 -14.527 1.754 1.00 0.00 N ATOM 99 CA LEU A 10 -1.570 -14.128 3.052 1.00 0.00 C ATOM 100 C LEU A 10 -2.404 -14.715 4.186 1.00 0.00 C ATOM 101 O LEU A 10 -1.925 -15.549 4.956 1.00 0.00 O ATOM 102 CB LEU A 10 -1.539 -12.603 3.165 1.00 0.00 C ATOM 103 CG LEU A 10 -0.634 -11.875 2.169 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.145 -10.466 1.914 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.799 -11.840 2.679 1.00 0.00 C ATOM 0 H LEU A 10 -2.624 -13.796 1.269 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.554 -14.514 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.555 -12.229 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.221 -12.340 4.174 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.650 -12.421 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.489 -9.964 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.154 -10.513 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.159 -9.909 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.429 -11.319 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.832 -11.317 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.164 -12.859 2.810 1.00 0.00 H new ATOM 117 N CYS A 11 -3.655 -14.277 4.284 1.00 0.00 N ATOM 118 CA CYS A 11 -4.556 -14.760 5.323 1.00 0.00 C ATOM 119 C CYS A 11 -5.149 -16.113 4.941 1.00 0.00 C ATOM 120 O CYS A 11 -5.615 -16.863 5.801 1.00 0.00 O ATOM 121 CB CYS A 11 -5.678 -13.749 5.563 1.00 0.00 C ATOM 122 SG CYS A 11 -6.864 -13.610 4.188 1.00 0.00 S ATOM 0 H CYS A 11 -4.068 -13.588 3.656 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.982 -14.880 6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.218 -14.030 6.467 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.236 -12.770 5.747 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.963 -12.366 3.824 1.00 0.00 H new ATOM 127 N LEU A 12 -5.129 -16.419 3.649 1.00 0.00 N ATOM 128 CA LEU A 12 -5.665 -17.682 3.154 1.00 0.00 C ATOM 129 C LEU A 12 -7.101 -17.887 3.622 1.00 0.00 C ATOM 130 O LEU A 12 -7.455 -18.949 4.130 1.00 0.00 O ATOM 131 CB LEU A 12 -4.792 -18.848 3.623 1.00 0.00 C ATOM 132 CG LEU A 12 -3.370 -18.891 3.064 1.00 0.00 C ATOM 133 CD1 LEU A 12 -2.431 -19.576 4.045 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.347 -19.600 1.717 1.00 0.00 C ATOM 0 H LEU A 12 -4.748 -15.810 2.925 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.660 -17.647 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.732 -18.816 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.293 -19.779 3.359 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.026 -17.867 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.423 -19.597 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.424 -19.026 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.772 -20.596 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.327 -19.621 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.711 -20.620 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.987 -19.067 1.014 1.00 0.00 H new ATOM 146 N GLY A 13 -7.927 -16.859 3.446 1.00 0.00 N ATOM 147 CA GLY A 13 -9.317 -16.946 3.854 1.00 0.00 C ATOM 148 C GLY A 13 -10.271 -16.887 2.678 1.00 0.00 C ATOM 149 O GLY A 13 -10.033 -16.161 1.714 1.00 0.00 O ATOM 0 H GLY A 13 -7.658 -15.968 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.475 -17.876 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.542 -16.131 4.542 1.00 0.00 H new ATOM 153 N GLU A 14 -11.353 -17.656 2.756 1.00 0.00 N ATOM 154 CA GLU A 14 -12.345 -17.689 1.688 1.00 0.00 C ATOM 155 C GLU A 14 -13.247 -16.459 1.744 1.00 0.00 C ATOM 156 O GLU A 14 -13.978 -16.255 2.714 1.00 0.00 O ATOM 157 CB GLU A 14 -13.191 -18.960 1.786 1.00 0.00 C ATOM 158 CG GLU A 14 -13.702 -19.456 0.444 1.00 0.00 C ATOM 159 CD GLU A 14 -14.812 -20.480 0.585 1.00 0.00 C ATOM 160 OE1 GLU A 14 -14.726 -21.328 1.497 1.00 0.00 O ATOM 161 OE2 GLU A 14 -15.768 -20.432 -0.217 1.00 0.00 O ATOM 0 H GLU A 14 -11.564 -18.264 3.547 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.815 -17.686 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.597 -19.746 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.041 -18.771 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.066 -18.609 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.876 -19.896 -0.115 1.00 0.00 H new ATOM 168 N TYR A 15 -13.190 -15.643 0.698 1.00 0.00 N ATOM 169 CA TYR A 15 -13.998 -14.431 0.629 1.00 0.00 C ATOM 170 C TYR A 15 -14.485 -14.182 -0.796 1.00 0.00 C ATOM 171 O TYR A 15 -13.849 -14.573 -1.774 1.00 0.00 O ATOM 172 CB TYR A 15 -13.195 -13.227 1.122 1.00 0.00 C ATOM 173 CG TYR A 15 -12.457 -13.481 2.418 1.00 0.00 C ATOM 174 CD1 TYR A 15 -13.131 -13.490 3.633 1.00 0.00 C ATOM 175 CD2 TYR A 15 -11.087 -13.714 2.427 1.00 0.00 C ATOM 176 CE1 TYR A 15 -12.461 -13.722 4.820 1.00 0.00 C ATOM 177 CE2 TYR A 15 -10.410 -13.947 3.607 1.00 0.00 C ATOM 178 CZ TYR A 15 -11.101 -13.949 4.801 1.00 0.00 C ATOM 179 OH TYR A 15 -10.430 -14.182 5.980 1.00 0.00 O ATOM 0 H TYR A 15 -12.593 -15.798 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.867 -14.568 1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.476 -12.941 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.870 -12.382 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.196 -13.313 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.543 -13.713 1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.999 -13.725 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.345 -14.127 3.596 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.479 -14.324 5.792 1.00 0.00 H new ATOM 189 N PRO A 16 -15.642 -13.515 -0.916 1.00 0.00 N ATOM 190 CA PRO A 16 -16.241 -13.196 -2.215 1.00 0.00 C ATOM 191 C PRO A 16 -15.443 -12.146 -2.980 1.00 0.00 C ATOM 192 O PRO A 16 -15.017 -11.140 -2.412 1.00 0.00 O ATOM 193 CB PRO A 16 -17.623 -12.651 -1.845 1.00 0.00 C ATOM 194 CG PRO A 16 -17.465 -12.127 -0.460 1.00 0.00 C ATOM 195 CD PRO A 16 -16.454 -13.018 0.208 1.00 0.00 C ATOM 0 HA PRO A 16 -16.272 -14.065 -2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.936 -11.865 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.381 -13.433 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.125 -11.091 -0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.415 -12.145 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.849 -12.469 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.933 -13.834 0.749 1.00 0.00 H new ATOM 203 N VAL A 17 -15.243 -12.386 -4.272 1.00 0.00 N ATOM 204 CA VAL A 17 -14.496 -11.460 -5.115 1.00 0.00 C ATOM 205 C VAL A 17 -14.895 -10.016 -4.833 1.00 0.00 C ATOM 206 O VAL A 17 -14.123 -9.090 -5.077 1.00 0.00 O ATOM 207 CB VAL A 17 -14.718 -11.759 -6.610 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.175 -13.135 -6.965 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.195 -11.651 -6.962 1.00 0.00 C ATOM 0 H VAL A 17 -15.588 -13.214 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.441 -11.596 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.174 -11.018 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.341 -13.329 -8.025 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.107 -13.171 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.688 -13.893 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.333 -11.865 -8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.764 -12.368 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.547 -10.642 -6.747 1.00 0.00 H new ATOM 219 N GLU A 18 -16.107 -9.832 -4.316 1.00 0.00 N ATOM 220 CA GLU A 18 -16.607 -8.500 -4.001 1.00 0.00 C ATOM 221 C GLU A 18 -15.700 -7.802 -2.992 1.00 0.00 C ATOM 222 O GLU A 18 -15.407 -6.615 -3.123 1.00 0.00 O ATOM 223 CB GLU A 18 -18.033 -8.584 -3.449 1.00 0.00 C ATOM 224 CG GLU A 18 -18.706 -7.231 -3.295 1.00 0.00 C ATOM 225 CD GLU A 18 -20.024 -7.317 -2.547 1.00 0.00 C ATOM 226 OE1 GLU A 18 -19.993 -7.451 -1.307 1.00 0.00 O ATOM 227 OE2 GLU A 18 -21.084 -7.251 -3.204 1.00 0.00 O ATOM 0 H GLU A 18 -16.759 -10.588 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.614 -7.916 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.634 -9.206 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.010 -9.081 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.036 -6.554 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.880 -6.801 -4.282 1.00 0.00 H new ATOM 234 N GLN A 19 -15.260 -8.550 -1.985 1.00 0.00 N ATOM 235 CA GLN A 19 -14.388 -8.002 -0.952 1.00 0.00 C ATOM 236 C GLN A 19 -12.925 -8.308 -1.258 1.00 0.00 C ATOM 237 O GLN A 19 -12.153 -8.652 -0.364 1.00 0.00 O ATOM 238 CB GLN A 19 -14.764 -8.570 0.417 1.00 0.00 C ATOM 239 CG GLN A 19 -16.030 -7.962 1.001 1.00 0.00 C ATOM 240 CD GLN A 19 -16.206 -8.283 2.472 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.406 -7.869 3.311 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.259 -9.026 2.793 1.00 0.00 N ATOM 0 H GLN A 19 -15.492 -9.536 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.520 -6.920 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.895 -9.649 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.938 -8.404 1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.003 -6.880 0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.894 -8.329 0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.897 -9.348 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.430 -9.275 3.767 1.00 0.00 H new ATOM 251 N MET A 20 -12.552 -8.181 -2.528 1.00 0.00 N ATOM 252 CA MET A 20 -11.181 -8.442 -2.951 1.00 0.00 C ATOM 253 C MET A 20 -10.724 -7.414 -3.979 1.00 0.00 C ATOM 254 O MET A 20 -11.542 -6.742 -4.608 1.00 0.00 O ATOM 255 CB MET A 20 -11.066 -9.852 -3.535 1.00 0.00 C ATOM 256 CG MET A 20 -11.588 -10.939 -2.609 1.00 0.00 C ATOM 257 SD MET A 20 -10.406 -11.383 -1.323 1.00 0.00 S ATOM 258 CE MET A 20 -9.418 -12.608 -2.179 1.00 0.00 C ATOM 0 H MET A 20 -13.180 -7.899 -3.281 1.00 0.00 H new ATOM 0 HA MET A 20 -10.536 -8.365 -2.076 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.616 -9.893 -4.475 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.021 -10.056 -3.768 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.514 -10.601 -2.144 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.830 -11.825 -3.196 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.362 -12.431 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.693 -13.604 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.597 -12.535 -3.252 1.00 0.00 H new ATOM 268 N THR A 21 -9.409 -7.295 -4.147 1.00 0.00 N ATOM 269 CA THR A 21 -8.844 -6.347 -5.099 1.00 0.00 C ATOM 270 C THR A 21 -7.805 -7.017 -5.989 1.00 0.00 C ATOM 271 O THR A 21 -6.921 -7.727 -5.506 1.00 0.00 O ATOM 272 CB THR A 21 -8.192 -5.150 -4.380 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.172 -4.455 -3.601 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.560 -4.196 -5.381 1.00 0.00 C ATOM 0 H THR A 21 -8.717 -7.843 -3.636 1.00 0.00 H new ATOM 0 HA THR A 21 -9.668 -5.987 -5.714 1.00 0.00 H new ATOM 0 HB THR A 21 -7.410 -5.530 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.750 -3.697 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.106 -3.359 -4.850 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.794 -4.722 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.326 -3.822 -6.061 1.00 0.00 H new ATOM 282 N THR A 22 -7.914 -6.788 -7.295 1.00 0.00 N ATOM 283 CA THR A 22 -6.984 -7.370 -8.253 1.00 0.00 C ATOM 284 C THR A 22 -6.019 -6.318 -8.791 1.00 0.00 C ATOM 285 O THR A 22 -6.432 -5.226 -9.181 1.00 0.00 O ATOM 286 CB THR A 22 -7.728 -8.019 -9.435 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.642 -9.011 -8.954 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.747 -8.656 -10.409 1.00 0.00 C ATOM 0 H THR A 22 -8.638 -6.203 -7.712 1.00 0.00 H new ATOM 0 HA THR A 22 -6.422 -8.138 -7.721 1.00 0.00 H new ATOM 0 HB THR A 22 -8.281 -7.239 -9.959 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.112 -9.417 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.296 -9.108 -11.235 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.072 -7.893 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.170 -9.424 -9.894 1.00 0.00 H new ATOM 296 N ILE A 23 -4.734 -6.656 -8.811 1.00 0.00 N ATOM 297 CA ILE A 23 -3.712 -5.741 -9.304 1.00 0.00 C ATOM 298 C ILE A 23 -3.605 -5.803 -10.823 1.00 0.00 C ATOM 299 O ILE A 23 -3.728 -6.872 -11.422 1.00 0.00 O ATOM 300 CB ILE A 23 -2.334 -6.054 -8.690 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.454 -6.228 -7.175 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.343 -4.951 -9.026 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.233 -6.855 -6.541 1.00 0.00 C ATOM 0 H ILE A 23 -4.376 -7.556 -8.492 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.015 -4.738 -9.005 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.966 -6.988 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.631 -5.254 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.325 -6.846 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.374 -5.186 -8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.240 -4.872 -10.108 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.704 -4.004 -8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.388 -6.948 -5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.067 -7.843 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.362 -6.227 -6.729 1.00 0.00 H new ATOM 315 N ALA A 24 -3.374 -4.649 -11.442 1.00 0.00 N ATOM 316 CA ALA A 24 -3.247 -4.572 -12.892 1.00 0.00 C ATOM 317 C ALA A 24 -1.783 -4.624 -13.318 1.00 0.00 C ATOM 318 O ALA A 24 -1.401 -4.037 -14.329 1.00 0.00 O ATOM 319 CB ALA A 24 -3.904 -3.304 -13.413 1.00 0.00 C ATOM 0 H ALA A 24 -3.271 -3.755 -10.962 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.755 -5.435 -13.322 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.801 -3.260 -14.497 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.961 -3.307 -13.149 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.421 -2.434 -12.967 1.00 0.00 H new ATOM 325 N GLN A 25 -0.970 -5.330 -12.539 1.00 0.00 N ATOM 326 CA GLN A 25 0.452 -5.457 -12.835 1.00 0.00 C ATOM 327 C GLN A 25 0.872 -6.922 -12.877 1.00 0.00 C ATOM 328 O GLN A 25 1.615 -7.341 -13.765 1.00 0.00 O ATOM 329 CB GLN A 25 1.282 -4.706 -11.792 1.00 0.00 C ATOM 330 CG GLN A 25 1.467 -3.231 -12.108 1.00 0.00 C ATOM 331 CD GLN A 25 2.770 -2.677 -11.566 1.00 0.00 C ATOM 332 OE1 GLN A 25 3.821 -3.310 -11.676 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.709 -1.489 -10.977 1.00 0.00 N ATOM 0 H GLN A 25 -1.272 -5.823 -11.698 1.00 0.00 H new ATOM 0 HA GLN A 25 0.632 -5.019 -13.817 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.801 -4.803 -10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.262 -5.177 -11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.437 -3.088 -13.188 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.634 -2.666 -11.689 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.817 -0.999 -10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.554 -1.066 -10.594 1.00 0.00 H new ATOM 342 N CYS A 26 0.391 -7.697 -11.911 1.00 0.00 N ATOM 343 CA CYS A 26 0.715 -9.117 -11.836 1.00 0.00 C ATOM 344 C CYS A 26 -0.545 -9.954 -11.637 1.00 0.00 C ATOM 345 O CYS A 26 -0.498 -11.033 -11.048 1.00 0.00 O ATOM 346 CB CYS A 26 1.699 -9.377 -10.694 1.00 0.00 C ATOM 347 SG CYS A 26 1.161 -8.714 -9.084 1.00 0.00 S ATOM 0 H CYS A 26 -0.225 -7.366 -11.169 1.00 0.00 H new ATOM 0 HA CYS A 26 1.177 -9.408 -12.779 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.853 -10.452 -10.599 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.663 -8.938 -10.952 1.00 0.00 H new ATOM 0 HG CYS A 26 0.736 -9.687 -8.334 1.00 0.00 H new ATOM 352 N GLN A 27 -1.670 -9.448 -12.134 1.00 0.00 N ATOM 353 CA GLN A 27 -2.942 -10.148 -12.010 1.00 0.00 C ATOM 354 C GLN A 27 -3.032 -10.882 -10.677 1.00 0.00 C ATOM 355 O GLN A 27 -3.413 -12.052 -10.624 1.00 0.00 O ATOM 356 CB GLN A 27 -3.117 -11.138 -13.163 1.00 0.00 C ATOM 357 CG GLN A 27 -3.571 -10.486 -14.460 1.00 0.00 C ATOM 358 CD GLN A 27 -4.993 -9.964 -14.385 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.952 -10.735 -14.411 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.135 -8.647 -14.290 1.00 0.00 N ATOM 0 H GLN A 27 -1.725 -8.556 -12.626 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.741 -9.408 -12.051 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.172 -11.653 -13.336 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.844 -11.896 -12.873 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.899 -9.663 -14.703 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.496 -11.210 -15.272 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.312 -8.045 -14.272 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.067 -8.237 -14.235 1.00 0.00 H new ATOM 369 N CYS A 28 -2.680 -10.188 -9.600 1.00 0.00 N ATOM 370 CA CYS A 28 -2.719 -10.773 -8.265 1.00 0.00 C ATOM 371 C CYS A 28 -3.869 -10.188 -7.449 1.00 0.00 C ATOM 372 O CYS A 28 -4.002 -8.970 -7.328 1.00 0.00 O ATOM 373 CB CYS A 28 -1.393 -10.534 -7.541 1.00 0.00 C ATOM 374 SG CYS A 28 -0.028 -11.591 -8.123 1.00 0.00 S ATOM 0 H CYS A 28 -2.364 -9.218 -9.626 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.879 -11.846 -8.370 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.107 -9.489 -7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.539 -10.701 -6.474 1.00 0.00 H new ATOM 0 HG CYS A 28 0.025 -11.556 -9.421 1.00 0.00 H new ATOM 379 N ILE A 29 -4.696 -11.066 -6.891 1.00 0.00 N ATOM 380 CA ILE A 29 -5.833 -10.637 -6.085 1.00 0.00 C ATOM 381 C ILE A 29 -5.536 -10.778 -4.597 1.00 0.00 C ATOM 382 O ILE A 29 -4.841 -11.704 -4.176 1.00 0.00 O ATOM 383 CB ILE A 29 -7.099 -11.445 -6.424 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.303 -10.893 -5.658 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.890 -12.918 -6.104 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.618 -11.075 -6.384 1.00 0.00 C ATOM 0 H ILE A 29 -4.600 -12.077 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.008 -9.587 -6.319 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.297 -11.351 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.362 -11.385 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.146 -9.831 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.794 -13.475 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.056 -13.303 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.670 -13.032 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.426 -10.660 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.578 -10.559 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.798 -12.137 -6.551 1.00 0.00 H new ATOM 398 N PHE A 30 -6.068 -9.855 -3.802 1.00 0.00 N ATOM 399 CA PHE A 30 -5.862 -9.877 -2.359 1.00 0.00 C ATOM 400 C PHE A 30 -7.018 -9.195 -1.634 1.00 0.00 C ATOM 401 O PHE A 30 -7.634 -8.267 -2.158 1.00 0.00 O ATOM 402 CB PHE A 30 -4.543 -9.189 -2.000 1.00 0.00 C ATOM 403 CG PHE A 30 -3.333 -9.891 -2.548 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.898 -11.085 -1.993 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.630 -9.357 -3.615 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.785 -11.734 -2.495 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.516 -10.002 -4.121 1.00 0.00 C ATOM 408 CZ PHE A 30 -1.093 -11.190 -3.559 1.00 0.00 C ATOM 0 H PHE A 30 -6.645 -9.082 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.820 -10.918 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.562 -8.166 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.458 -9.128 -0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.435 -11.513 -1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.955 -8.427 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.457 -12.665 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.978 -9.577 -4.955 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.222 -11.693 -3.951 1.00 0.00 H new ATOM 418 N CYS A 31 -7.307 -9.662 -0.424 1.00 0.00 N ATOM 419 CA CYS A 31 -8.389 -9.100 0.375 1.00 0.00 C ATOM 420 C CYS A 31 -8.028 -7.703 0.874 1.00 0.00 C ATOM 421 O CYS A 31 -6.950 -7.488 1.429 1.00 0.00 O ATOM 422 CB CYS A 31 -8.702 -10.012 1.563 1.00 0.00 C ATOM 423 SG CYS A 31 -7.405 -10.037 2.843 1.00 0.00 S ATOM 0 H CYS A 31 -6.806 -10.429 0.025 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.273 -9.024 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.639 -9.691 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.856 -11.027 1.197 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.269 -10.365 2.303 1.00 0.00 H new ATOM 428 N THR A 32 -8.938 -6.755 0.671 1.00 0.00 N ATOM 429 CA THR A 32 -8.715 -5.379 1.099 1.00 0.00 C ATOM 430 C THR A 32 -7.938 -5.329 2.408 1.00 0.00 C ATOM 431 O THR A 32 -6.952 -4.601 2.529 1.00 0.00 O ATOM 432 CB THR A 32 -10.047 -4.625 1.277 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.852 -4.767 0.100 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.800 -3.149 1.551 1.00 0.00 C ATOM 0 H THR A 32 -9.835 -6.915 0.213 1.00 0.00 H new ATOM 0 HA THR A 32 -8.132 -4.895 0.316 1.00 0.00 H new ATOM 0 HB THR A 32 -10.571 -5.055 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.697 -4.286 0.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.754 -2.637 1.673 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.211 -3.042 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.257 -2.710 0.714 1.00 0.00 H new ATOM 442 N LEU A 33 -8.386 -6.108 3.387 1.00 0.00 N ATOM 443 CA LEU A 33 -7.730 -6.153 4.690 1.00 0.00 C ATOM 444 C LEU A 33 -6.216 -6.244 4.535 1.00 0.00 C ATOM 445 O LEU A 33 -5.491 -5.298 4.847 1.00 0.00 O ATOM 446 CB LEU A 33 -8.244 -7.344 5.500 1.00 0.00 C ATOM 447 CG LEU A 33 -9.748 -7.374 5.771 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.136 -8.656 6.490 1.00 0.00 C ATOM 449 CD2 LEU A 33 -10.168 -6.157 6.583 1.00 0.00 C ATOM 0 H LEU A 33 -9.200 -6.717 3.304 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.967 -5.231 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.972 -8.259 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.723 -7.359 6.457 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.270 -7.346 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.210 -8.659 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.871 -9.514 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.605 -8.715 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.242 -6.195 6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.637 -6.154 7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.926 -5.249 6.030 1.00 0.00 H new ATOM 461 N CYS A 34 -5.744 -7.386 4.048 1.00 0.00 N ATOM 462 CA CYS A 34 -4.316 -7.601 3.848 1.00 0.00 C ATOM 463 C CYS A 34 -3.691 -6.434 3.089 1.00 0.00 C ATOM 464 O CYS A 34 -2.762 -5.788 3.576 1.00 0.00 O ATOM 465 CB CYS A 34 -4.076 -8.906 3.086 1.00 0.00 C ATOM 466 SG CYS A 34 -4.465 -10.407 4.042 1.00 0.00 S ATOM 0 H CYS A 34 -6.330 -8.178 3.784 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.844 -7.669 4.828 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.679 -8.900 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.032 -8.946 2.775 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.738 -10.658 3.957 1.00 0.00 H new ATOM 471 N LEU A 35 -4.206 -6.170 1.894 1.00 0.00 N ATOM 472 CA LEU A 35 -3.700 -5.080 1.066 1.00 0.00 C ATOM 473 C LEU A 35 -3.595 -3.788 1.871 1.00 0.00 C ATOM 474 O LEU A 35 -2.662 -3.005 1.690 1.00 0.00 O ATOM 475 CB LEU A 35 -4.610 -4.868 -0.145 1.00 0.00 C ATOM 476 CG LEU A 35 -4.266 -5.682 -1.394 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.359 -5.539 -2.441 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.921 -5.248 -1.960 1.00 0.00 C ATOM 0 H LEU A 35 -4.974 -6.695 1.476 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.703 -5.352 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.633 -5.105 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.591 -3.810 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.196 -6.733 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.097 -6.125 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.303 -5.900 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.461 -4.490 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.693 -5.838 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.962 -4.192 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.144 -5.403 -1.212 1.00 0.00 H new ATOM 490 N LYS A 36 -4.558 -3.573 2.761 1.00 0.00 N ATOM 491 CA LYS A 36 -4.574 -2.378 3.597 1.00 0.00 C ATOM 492 C LYS A 36 -3.386 -2.367 4.553 1.00 0.00 C ATOM 493 O LYS A 36 -2.475 -1.551 4.415 1.00 0.00 O ATOM 494 CB LYS A 36 -5.881 -2.303 4.390 1.00 0.00 C ATOM 495 CG LYS A 36 -5.966 -1.097 5.309 1.00 0.00 C ATOM 496 CD LYS A 36 -7.405 -0.775 5.675 1.00 0.00 C ATOM 497 CE LYS A 36 -7.483 0.362 6.682 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.743 1.144 6.541 1.00 0.00 N ATOM 0 H LYS A 36 -5.338 -4.211 2.922 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.501 -1.508 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.718 -2.278 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.988 -3.210 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.393 -1.289 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.512 -0.234 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.958 -0.505 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.884 -1.663 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.418 -0.043 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.628 1.024 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.757 1.909 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.793 1.552 5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.559 0.518 6.694 1.00 0.00 H new ATOM 512 N GLN A 37 -3.402 -3.279 5.521 1.00 0.00 N ATOM 513 CA GLN A 37 -2.325 -3.373 6.498 1.00 0.00 C ATOM 514 C GLN A 37 -0.966 -3.425 5.807 1.00 0.00 C ATOM 515 O GLN A 37 -0.010 -2.783 6.245 1.00 0.00 O ATOM 516 CB GLN A 37 -2.511 -4.611 7.376 1.00 0.00 C ATOM 517 CG GLN A 37 -3.589 -4.448 8.436 1.00 0.00 C ATOM 518 CD GLN A 37 -4.989 -4.619 7.877 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.498 -3.746 7.172 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.617 -5.747 8.187 1.00 0.00 N ATOM 0 H GLN A 37 -4.149 -3.962 5.649 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.359 -2.483 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.762 -5.462 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.565 -4.845 7.864 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.427 -5.178 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.501 -3.461 8.889 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.156 -6.442 8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.560 -5.918 7.838 1.00 0.00 H new ATOM 529 N TYR A 38 -0.886 -4.194 4.727 1.00 0.00 N ATOM 530 CA TYR A 38 0.357 -4.332 3.978 1.00 0.00 C ATOM 531 C TYR A 38 0.882 -2.970 3.535 1.00 0.00 C ATOM 532 O TYR A 38 1.869 -2.467 4.072 1.00 0.00 O ATOM 533 CB TYR A 38 0.144 -5.230 2.758 1.00 0.00 C ATOM 534 CG TYR A 38 1.358 -5.333 1.862 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.513 -5.973 2.295 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.350 -4.789 0.583 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.624 -6.069 1.481 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.457 -4.882 -0.239 1.00 0.00 C ATOM 539 CZ TYR A 38 3.592 -5.522 0.215 1.00 0.00 C ATOM 540 OH TYR A 38 4.696 -5.614 -0.600 1.00 0.00 O ATOM 0 H TYR A 38 -1.667 -4.731 4.351 1.00 0.00 H new ATOM 0 HA TYR A 38 1.097 -4.790 4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.133 -6.228 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.694 -4.846 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.542 -6.403 3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.464 -4.285 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.514 -6.570 1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.434 -4.456 -1.231 1.00 0.00 H new ATOM 0 HH TYR A 38 4.416 -5.558 -1.538 1.00 0.00 H new ATOM 550 N VAL A 39 0.212 -2.376 2.553 1.00 0.00 N ATOM 551 CA VAL A 39 0.607 -1.070 2.038 1.00 0.00 C ATOM 552 C VAL A 39 0.794 -0.066 3.170 1.00 0.00 C ATOM 553 O VAL A 39 1.728 0.734 3.154 1.00 0.00 O ATOM 554 CB VAL A 39 -0.435 -0.519 1.046 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.713 -1.532 -0.054 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.716 -0.144 1.773 1.00 0.00 C ATOM 0 H VAL A 39 -0.607 -2.778 2.098 1.00 0.00 H new ATOM 0 HA VAL A 39 1.555 -1.209 1.519 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.030 0.381 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.451 -1.125 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.210 -1.746 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.097 -2.452 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.441 0.243 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.127 -1.026 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.500 0.620 2.520 1.00 0.00 H new ATOM 566 N GLU A 40 -0.101 -0.117 4.153 1.00 0.00 N ATOM 567 CA GLU A 40 -0.033 0.789 5.293 1.00 0.00 C ATOM 568 C GLU A 40 1.360 0.776 5.917 1.00 0.00 C ATOM 569 O GLU A 40 2.027 1.809 5.996 1.00 0.00 O ATOM 570 CB GLU A 40 -1.077 0.402 6.343 1.00 0.00 C ATOM 571 CG GLU A 40 -2.421 1.080 6.144 1.00 0.00 C ATOM 572 CD GLU A 40 -3.288 1.033 7.388 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.134 1.921 8.253 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.121 0.109 7.494 1.00 0.00 O ATOM 0 H GLU A 40 -0.880 -0.775 4.182 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.243 1.797 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.218 -0.679 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.695 0.654 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.261 2.119 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.948 0.599 5.320 1.00 0.00 H new ATOM 581 N LEU A 41 1.793 -0.400 6.359 1.00 0.00 N ATOM 582 CA LEU A 41 3.106 -0.548 6.976 1.00 0.00 C ATOM 583 C LEU A 41 4.196 0.038 6.085 1.00 0.00 C ATOM 584 O LEU A 41 5.058 0.785 6.549 1.00 0.00 O ATOM 585 CB LEU A 41 3.396 -2.024 7.254 1.00 0.00 C ATOM 586 CG LEU A 41 2.976 -2.544 8.629 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.798 -1.882 9.724 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.490 -2.307 8.856 1.00 0.00 C ATOM 0 H LEU A 41 1.254 -1.264 6.301 1.00 0.00 H new ATOM 0 HA LEU A 41 3.101 -0.001 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.894 -2.622 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.467 -2.192 7.136 1.00 0.00 H new ATOM 0 HG LEU A 41 3.162 -3.617 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.485 -2.264 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.854 -2.103 9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.645 -0.803 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.208 -2.683 9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.279 -1.239 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.917 -2.829 8.090 1.00 0.00 H new ATOM 600 N LEU A 42 4.151 -0.305 4.802 1.00 0.00 N ATOM 601 CA LEU A 42 5.135 0.189 3.844 1.00 0.00 C ATOM 602 C LEU A 42 5.208 1.712 3.875 1.00 0.00 C ATOM 603 O LEU A 42 6.281 2.287 4.064 1.00 0.00 O ATOM 604 CB LEU A 42 4.784 -0.287 2.433 1.00 0.00 C ATOM 605 CG LEU A 42 5.134 -1.739 2.108 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.101 -2.684 2.703 1.00 0.00 C ATOM 607 CD2 LEU A 42 5.237 -1.939 0.603 1.00 0.00 C ATOM 0 H LEU A 42 3.445 -0.922 4.401 1.00 0.00 H new ATOM 0 HA LEU A 42 6.110 -0.209 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.713 -0.150 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.293 0.358 1.717 1.00 0.00 H new ATOM 0 HG LEU A 42 6.103 -1.966 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.367 -3.713 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.076 -2.561 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.119 -2.456 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.487 -2.978 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.283 -1.692 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.015 -1.290 0.202 1.00 0.00 H new ATOM 619 N ILE A 43 4.062 2.358 3.691 1.00 0.00 N ATOM 620 CA ILE A 43 3.997 3.815 3.703 1.00 0.00 C ATOM 621 C ILE A 43 4.607 4.383 4.979 1.00 0.00 C ATOM 622 O ILE A 43 5.422 5.305 4.934 1.00 0.00 O ATOM 623 CB ILE A 43 2.546 4.314 3.574 1.00 0.00 C ATOM 624 CG1 ILE A 43 1.916 3.793 2.281 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.503 5.834 3.616 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.440 4.101 2.160 1.00 0.00 C ATOM 0 H ILE A 43 3.166 1.897 3.532 1.00 0.00 H new ATOM 0 HA ILE A 43 4.570 4.163 2.844 1.00 0.00 H new ATOM 0 HB ILE A 43 1.970 3.930 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.440 4.228 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.059 2.714 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.471 6.171 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.916 6.184 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.092 6.238 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.061 3.702 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.097 3.643 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.291 5.180 2.183 1.00 0.00 H new ATOM 638 N LYS A 44 4.210 3.825 6.117 1.00 0.00 N ATOM 639 CA LYS A 44 4.720 4.273 7.408 1.00 0.00 C ATOM 640 C LYS A 44 6.244 4.238 7.432 1.00 0.00 C ATOM 641 O LYS A 44 6.889 5.192 7.869 1.00 0.00 O ATOM 642 CB LYS A 44 4.161 3.397 8.532 1.00 0.00 C ATOM 643 CG LYS A 44 2.644 3.324 8.549 1.00 0.00 C ATOM 644 CD LYS A 44 2.042 4.441 9.386 1.00 0.00 C ATOM 645 CE LYS A 44 0.558 4.613 9.100 1.00 0.00 C ATOM 646 NZ LYS A 44 -0.280 3.772 9.998 1.00 0.00 N ATOM 0 H LYS A 44 3.536 3.061 6.172 1.00 0.00 H new ATOM 0 HA LYS A 44 4.395 5.302 7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.564 2.389 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.509 3.784 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.264 3.387 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.330 2.359 8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.187 4.223 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.564 5.375 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.283 5.661 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.355 4.350 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.285 3.917 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.036 2.770 9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.106 4.040 10.988 1.00 0.00 H new ATOM 660 N GLU A 45 6.815 3.134 6.959 1.00 0.00 N ATOM 661 CA GLU A 45 8.264 2.978 6.928 1.00 0.00 C ATOM 662 C GLU A 45 8.936 4.240 6.395 1.00 0.00 C ATOM 663 O GLU A 45 9.768 4.846 7.070 1.00 0.00 O ATOM 664 CB GLU A 45 8.650 1.777 6.062 1.00 0.00 C ATOM 665 CG GLU A 45 10.123 1.412 6.151 1.00 0.00 C ATOM 666 CD GLU A 45 10.370 -0.070 5.940 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.922 -0.872 6.785 1.00 0.00 O ATOM 668 OE2 GLU A 45 11.010 -0.426 4.929 1.00 0.00 O ATOM 0 H GLU A 45 6.296 2.336 6.593 1.00 0.00 H new ATOM 0 HA GLU A 45 8.608 2.808 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.052 0.916 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.400 1.993 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.680 1.979 5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.508 1.705 7.128 1.00 0.00 H new ATOM 675 N GLY A 46 8.569 4.631 5.179 1.00 0.00 N ATOM 676 CA GLY A 46 9.145 5.819 4.575 1.00 0.00 C ATOM 677 C GLY A 46 10.314 5.497 3.665 1.00 0.00 C ATOM 678 O GLY A 46 10.462 6.094 2.598 1.00 0.00 O ATOM 0 H GLY A 46 7.883 4.146 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.377 6.342 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.476 6.498 5.360 1.00 0.00 H new ATOM 682 N LEU A 47 11.147 4.551 4.085 1.00 0.00 N ATOM 683 CA LEU A 47 12.309 4.152 3.301 1.00 0.00 C ATOM 684 C LEU A 47 11.892 3.662 1.918 1.00 0.00 C ATOM 685 O LEU A 47 12.308 4.215 0.902 1.00 0.00 O ATOM 686 CB LEU A 47 13.088 3.055 4.030 1.00 0.00 C ATOM 687 CG LEU A 47 14.172 2.348 3.215 1.00 0.00 C ATOM 688 CD1 LEU A 47 15.332 3.290 2.936 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.657 1.101 3.942 1.00 0.00 C ATOM 0 H LEU A 47 11.039 4.046 4.965 1.00 0.00 H new ATOM 0 HA LEU A 47 12.950 5.025 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.553 3.493 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.379 2.306 4.381 1.00 0.00 H new ATOM 0 HG LEU A 47 13.742 2.044 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.093 2.768 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.973 4.152 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.763 3.626 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.428 0.610 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.069 1.382 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.821 0.417 4.088 1.00 0.00 H new ATOM 701 N GLU A 48 11.065 2.621 1.890 1.00 0.00 N ATOM 702 CA GLU A 48 10.591 2.058 0.631 1.00 0.00 C ATOM 703 C GLU A 48 9.224 2.629 0.261 1.00 0.00 C ATOM 704 O GLU A 48 8.189 2.028 0.549 1.00 0.00 O ATOM 705 CB GLU A 48 10.509 0.533 0.728 1.00 0.00 C ATOM 706 CG GLU A 48 9.753 0.039 1.950 1.00 0.00 C ATOM 707 CD GLU A 48 9.708 -1.473 2.037 1.00 0.00 C ATOM 708 OE1 GLU A 48 8.764 -2.071 1.481 1.00 0.00 O ATOM 709 OE2 GLU A 48 10.617 -2.060 2.661 1.00 0.00 O ATOM 0 H GLU A 48 10.710 2.151 2.723 1.00 0.00 H new ATOM 0 HA GLU A 48 11.302 2.328 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.025 0.146 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.519 0.124 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.224 0.437 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.735 0.428 1.924 1.00 0.00 H new ATOM 716 N THR A 49 9.230 3.794 -0.379 1.00 0.00 N ATOM 717 CA THR A 49 7.993 4.447 -0.787 1.00 0.00 C ATOM 718 C THR A 49 7.223 3.591 -1.786 1.00 0.00 C ATOM 719 O THR A 49 5.992 3.557 -1.770 1.00 0.00 O ATOM 720 CB THR A 49 8.267 5.827 -1.415 1.00 0.00 C ATOM 721 OG1 THR A 49 7.049 6.389 -1.916 1.00 0.00 O ATOM 722 CG2 THR A 49 9.281 5.716 -2.545 1.00 0.00 C ATOM 0 H THR A 49 10.078 4.304 -0.626 1.00 0.00 H new ATOM 0 HA THR A 49 7.393 4.578 0.114 1.00 0.00 H new ATOM 0 HB THR A 49 8.676 6.478 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.232 7.267 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.458 6.703 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.217 5.316 -2.156 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.895 5.050 -3.317 1.00 0.00 H new ATOM 730 N ALA A 50 7.954 2.901 -2.654 1.00 0.00 N ATOM 731 CA ALA A 50 7.338 2.042 -3.659 1.00 0.00 C ATOM 732 C ALA A 50 6.771 0.775 -3.026 1.00 0.00 C ATOM 733 O ALA A 50 7.479 0.049 -2.328 1.00 0.00 O ATOM 734 CB ALA A 50 8.348 1.687 -4.740 1.00 0.00 C ATOM 0 H ALA A 50 8.973 2.919 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 50 6.513 2.590 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.875 1.046 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.702 2.599 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.191 1.162 -4.292 1.00 0.00 H new ATOM 740 N ILE A 51 5.491 0.518 -3.273 1.00 0.00 N ATOM 741 CA ILE A 51 4.831 -0.661 -2.727 1.00 0.00 C ATOM 742 C ILE A 51 4.787 -1.790 -3.752 1.00 0.00 C ATOM 743 O ILE A 51 4.132 -1.677 -4.787 1.00 0.00 O ATOM 744 CB ILE A 51 3.395 -0.341 -2.271 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.408 0.762 -1.210 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.719 -1.593 -1.733 1.00 0.00 C ATOM 747 CD1 ILE A 51 2.068 1.440 -1.027 1.00 0.00 C ATOM 0 H ILE A 51 4.891 1.110 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 51 5.416 -0.979 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 51 2.827 0.014 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.723 0.335 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.151 1.511 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.705 -1.351 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.682 -2.351 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.284 -1.975 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.152 2.210 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.760 1.896 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.326 0.703 -0.721 1.00 0.00 H new ATOM 759 N SER A 52 5.488 -2.880 -3.453 1.00 0.00 N ATOM 760 CA SER A 52 5.530 -4.030 -4.348 1.00 0.00 C ATOM 761 C SER A 52 4.484 -5.067 -3.951 1.00 0.00 C ATOM 762 O SER A 52 3.812 -4.928 -2.928 1.00 0.00 O ATOM 763 CB SER A 52 6.923 -4.662 -4.334 1.00 0.00 C ATOM 764 OG SER A 52 7.118 -5.491 -5.467 1.00 0.00 O ATOM 0 H SER A 52 6.034 -2.990 -2.598 1.00 0.00 H new ATOM 0 HA SER A 52 5.306 -3.683 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.681 -3.879 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.051 -5.248 -3.424 1.00 0.00 H new ATOM 0 HG SER A 52 8.016 -5.882 -5.436 1.00 0.00 H new ATOM 770 N CYS A 53 4.352 -6.107 -4.767 1.00 0.00 N ATOM 771 CA CYS A 53 3.388 -7.169 -4.503 1.00 0.00 C ATOM 772 C CYS A 53 3.678 -7.846 -3.167 1.00 0.00 C ATOM 773 O CYS A 53 4.820 -8.170 -2.841 1.00 0.00 O ATOM 774 CB CYS A 53 3.418 -8.203 -5.629 1.00 0.00 C ATOM 775 SG CYS A 53 2.139 -9.493 -5.487 1.00 0.00 S ATOM 0 H CYS A 53 4.901 -6.237 -5.617 1.00 0.00 H new ATOM 0 HA CYS A 53 2.395 -6.722 -4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.297 -7.690 -6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.399 -8.679 -5.645 1.00 0.00 H new ATOM 0 HG CYS A 53 2.574 -10.596 -6.020 1.00 0.00 H new ATOM 780 N PRO A 54 2.618 -8.067 -2.374 1.00 0.00 N ATOM 781 CA PRO A 54 2.733 -8.707 -1.061 1.00 0.00 C ATOM 782 C PRO A 54 3.084 -10.187 -1.167 1.00 0.00 C ATOM 783 O PRO A 54 3.207 -10.881 -0.156 1.00 0.00 O ATOM 784 CB PRO A 54 1.337 -8.531 -0.457 1.00 0.00 C ATOM 785 CG PRO A 54 0.430 -8.405 -1.632 1.00 0.00 C ATOM 786 CD PRO A 54 1.228 -7.706 -2.699 1.00 0.00 C ATOM 0 HA PRO A 54 3.530 -8.267 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.064 -9.384 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.289 -7.646 0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.096 -9.385 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.463 -7.835 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.948 -8.043 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.076 -6.627 -2.673 1.00 0.00 H new ATOM 794 N ASP A 55 3.245 -10.666 -2.396 1.00 0.00 N ATOM 795 CA ASP A 55 3.585 -12.064 -2.633 1.00 0.00 C ATOM 796 C ASP A 55 5.042 -12.204 -3.065 1.00 0.00 C ATOM 797 O ASP A 55 5.414 -11.802 -4.166 1.00 0.00 O ATOM 798 CB ASP A 55 2.665 -12.659 -3.701 1.00 0.00 C ATOM 799 CG ASP A 55 2.744 -14.172 -3.754 1.00 0.00 C ATOM 800 OD1 ASP A 55 2.653 -14.810 -2.684 1.00 0.00 O ATOM 801 OD2 ASP A 55 2.898 -14.719 -4.866 1.00 0.00 O ATOM 0 H ASP A 55 3.145 -10.107 -3.243 1.00 0.00 H new ATOM 0 HA ASP A 55 3.448 -12.609 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.637 -12.358 -3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.932 -12.250 -4.675 1.00 0.00 H new ATOM 806 N ALA A 56 5.860 -12.776 -2.188 1.00 0.00 N ATOM 807 CA ALA A 56 7.276 -12.970 -2.478 1.00 0.00 C ATOM 808 C ALA A 56 7.472 -13.987 -3.598 1.00 0.00 C ATOM 809 O ALA A 56 8.439 -13.912 -4.355 1.00 0.00 O ATOM 810 CB ALA A 56 8.016 -13.412 -1.225 1.00 0.00 C ATOM 0 H ALA A 56 5.567 -13.113 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 56 7.687 -12.017 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.072 -13.553 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.912 -12.649 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.595 -14.351 -0.866 1.00 0.00 H new ATOM 816 N ALA A 57 6.549 -14.938 -3.695 1.00 0.00 N ATOM 817 CA ALA A 57 6.621 -15.970 -4.722 1.00 0.00 C ATOM 818 C ALA A 57 5.962 -15.503 -6.016 1.00 0.00 C ATOM 819 O ALA A 57 5.394 -16.304 -6.760 1.00 0.00 O ATOM 820 CB ALA A 57 5.970 -17.253 -4.229 1.00 0.00 C ATOM 0 H ALA A 57 5.743 -15.015 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 57 7.673 -16.167 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.031 -18.014 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.487 -17.604 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.924 -17.062 -3.990 1.00 0.00 H new ATOM 826 N CYS A 58 6.041 -14.203 -6.279 1.00 0.00 N ATOM 827 CA CYS A 58 5.451 -13.629 -7.482 1.00 0.00 C ATOM 828 C CYS A 58 6.518 -13.377 -8.544 1.00 0.00 C ATOM 829 O CYS A 58 7.417 -12.553 -8.373 1.00 0.00 O ATOM 830 CB CYS A 58 4.730 -12.322 -7.148 1.00 0.00 C ATOM 831 SG CYS A 58 3.608 -11.735 -8.458 1.00 0.00 S ATOM 0 H CYS A 58 6.508 -13.527 -5.675 1.00 0.00 H new ATOM 0 HA CYS A 58 4.729 -14.343 -7.879 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.159 -12.459 -6.230 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.473 -11.550 -6.949 1.00 0.00 H new ATOM 0 HG CYS A 58 2.379 -11.806 -8.041 1.00 0.00 H new ATOM 836 N PRO A 59 6.418 -14.103 -9.667 1.00 0.00 N ATOM 837 CA PRO A 59 7.365 -13.975 -10.779 1.00 0.00 C ATOM 838 C PRO A 59 7.224 -12.644 -11.510 1.00 0.00 C ATOM 839 O PRO A 59 7.961 -12.363 -12.456 1.00 0.00 O ATOM 840 CB PRO A 59 6.985 -15.135 -11.703 1.00 0.00 C ATOM 841 CG PRO A 59 5.552 -15.407 -11.400 1.00 0.00 C ATOM 842 CD PRO A 59 5.372 -15.103 -9.939 1.00 0.00 C ATOM 0 HA PRO A 59 8.400 -14.004 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.124 -14.869 -12.751 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.603 -16.012 -11.512 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.899 -14.784 -12.011 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.298 -16.444 -11.617 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.377 -14.711 -9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.499 -15.994 -9.325 1.00 0.00 H new ATOM 850 N LYS A 60 6.275 -11.828 -11.066 1.00 0.00 N ATOM 851 CA LYS A 60 6.040 -10.525 -11.676 1.00 0.00 C ATOM 852 C LYS A 60 6.164 -9.409 -10.643 1.00 0.00 C ATOM 853 O LYS A 60 6.351 -8.245 -10.995 1.00 0.00 O ATOM 854 CB LYS A 60 4.651 -10.484 -12.321 1.00 0.00 C ATOM 855 CG LYS A 60 4.377 -9.205 -13.093 1.00 0.00 C ATOM 856 CD LYS A 60 4.909 -9.286 -14.514 1.00 0.00 C ATOM 857 CE LYS A 60 4.000 -10.121 -15.402 1.00 0.00 C ATOM 858 NZ LYS A 60 2.656 -9.498 -15.561 1.00 0.00 N ATOM 0 H LYS A 60 5.656 -12.046 -10.285 1.00 0.00 H new ATOM 0 HA LYS A 60 6.797 -10.370 -12.445 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.547 -11.335 -12.995 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.895 -10.599 -11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.304 -9.016 -13.116 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.839 -8.362 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.001 -8.282 -14.927 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.909 -9.719 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.462 -10.243 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.890 -11.118 -14.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.927 -10.148 -15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.620 -8.609 -15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.481 -9.302 -16.567 1.00 0.00 H new ATOM 872 N GLN A 61 6.061 -9.774 -9.370 1.00 0.00 N ATOM 873 CA GLN A 61 6.163 -8.804 -8.287 1.00 0.00 C ATOM 874 C GLN A 61 5.615 -7.447 -8.717 1.00 0.00 C ATOM 875 O GLN A 61 6.230 -6.411 -8.469 1.00 0.00 O ATOM 876 CB GLN A 61 7.618 -8.660 -7.838 1.00 0.00 C ATOM 877 CG GLN A 61 8.580 -8.362 -8.977 1.00 0.00 C ATOM 878 CD GLN A 61 9.807 -7.597 -8.520 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.913 -8.137 -8.490 1.00 0.00 O ATOM 880 NE2 GLN A 61 9.618 -6.333 -8.160 1.00 0.00 N ATOM 0 H GLN A 61 5.907 -10.734 -9.063 1.00 0.00 H new ATOM 0 HA GLN A 61 5.566 -9.168 -7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.684 -7.861 -7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.929 -9.579 -7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.892 -9.299 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.062 -7.786 -9.744 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.684 -5.925 -8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.407 -5.770 -7.843 1.00 0.00 H new ATOM 889 N GLY A 62 4.455 -7.462 -9.366 1.00 0.00 N ATOM 890 CA GLY A 62 3.844 -6.227 -9.822 1.00 0.00 C ATOM 891 C GLY A 62 3.468 -5.309 -8.676 1.00 0.00 C ATOM 892 O GLY A 62 2.753 -5.710 -7.758 1.00 0.00 O ATOM 0 H GLY A 62 3.927 -8.307 -9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.534 -5.708 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.953 -6.460 -10.405 1.00 0.00 H new ATOM 896 N HIS A 63 3.952 -4.072 -8.729 1.00 0.00 N ATOM 897 CA HIS A 63 3.664 -3.093 -7.686 1.00 0.00 C ATOM 898 C HIS A 63 2.194 -2.687 -7.714 1.00 0.00 C ATOM 899 O HIS A 63 1.466 -3.015 -8.652 1.00 0.00 O ATOM 900 CB HIS A 63 4.550 -1.859 -7.856 1.00 0.00 C ATOM 901 CG HIS A 63 5.959 -2.182 -8.247 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.353 -2.369 -9.556 1.00 0.00 N ATOM 903 CD2 HIS A 63 7.071 -2.350 -7.494 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.645 -2.640 -9.591 1.00 0.00 C ATOM 905 NE2 HIS A 63 8.105 -2.634 -8.352 1.00 0.00 N ATOM 0 H HIS A 63 4.545 -3.724 -9.482 1.00 0.00 H new ATOM 0 HA HIS A 63 3.877 -3.553 -6.721 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.112 -1.209 -8.613 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.561 -1.298 -6.921 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.134 -2.275 -6.418 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.226 -2.834 -10.480 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.071 -2.812 -8.078 1.00 0.00 H new ATOM 913 N LEU A 64 1.764 -1.970 -6.682 1.00 0.00 N ATOM 914 CA LEU A 64 0.379 -1.519 -6.588 1.00 0.00 C ATOM 915 C LEU A 64 0.219 -0.124 -7.184 1.00 0.00 C ATOM 916 O LEU A 64 1.128 0.701 -7.105 1.00 0.00 O ATOM 917 CB LEU A 64 -0.080 -1.519 -5.129 1.00 0.00 C ATOM 918 CG LEU A 64 -0.620 -2.845 -4.594 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.959 -3.174 -5.234 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.381 -3.966 -4.841 1.00 0.00 C ATOM 0 H LEU A 64 2.353 -1.688 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.242 -2.210 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.760 -1.214 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.855 -0.761 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.769 -2.747 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.327 -4.121 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.675 -2.384 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.836 -3.253 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.019 -4.903 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.562 -4.063 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.318 -3.735 -4.335 1.00 0.00 H new ATOM 932 N GLN A 65 -0.943 0.131 -7.777 1.00 0.00 N ATOM 933 CA GLN A 65 -1.220 1.427 -8.384 1.00 0.00 C ATOM 934 C GLN A 65 -1.683 2.432 -7.334 1.00 0.00 C ATOM 935 O GLN A 65 -2.214 2.053 -6.291 1.00 0.00 O ATOM 936 CB GLN A 65 -2.283 1.285 -9.475 1.00 0.00 C ATOM 937 CG GLN A 65 -1.930 0.258 -10.538 1.00 0.00 C ATOM 938 CD GLN A 65 -1.830 -1.149 -9.981 1.00 0.00 C ATOM 939 OE1 GLN A 65 -0.733 -1.679 -9.801 1.00 0.00 O ATOM 940 NE2 GLN A 65 -2.975 -1.759 -9.703 1.00 0.00 N ATOM 0 H GLN A 65 -1.706 -0.542 -7.850 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.297 1.796 -8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.231 1.007 -9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.433 2.253 -9.953 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.685 0.281 -11.324 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.981 0.530 -11.000 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.861 -1.281 -9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.969 -2.706 -9.324 1.00 0.00 H new ATOM 949 N GLU A 66 -1.479 3.715 -7.619 1.00 0.00 N ATOM 950 CA GLU A 66 -1.874 4.774 -6.698 1.00 0.00 C ATOM 951 C GLU A 66 -3.374 4.723 -6.423 1.00 0.00 C ATOM 952 O GLU A 66 -3.815 4.912 -5.289 1.00 0.00 O ATOM 953 CB GLU A 66 -1.494 6.143 -7.266 1.00 0.00 C ATOM 954 CG GLU A 66 -2.069 7.308 -6.479 1.00 0.00 C ATOM 955 CD GLU A 66 -2.034 8.611 -7.256 1.00 0.00 C ATOM 956 OE1 GLU A 66 -2.430 8.604 -8.440 1.00 0.00 O ATOM 957 OE2 GLU A 66 -1.610 9.634 -6.680 1.00 0.00 O ATOM 0 H GLU A 66 -1.043 4.045 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.344 4.620 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.408 6.230 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.838 6.207 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.099 7.082 -6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.509 7.427 -5.552 1.00 0.00 H new ATOM 964 N ASN A 67 -4.154 4.467 -7.469 1.00 0.00 N ATOM 965 CA ASN A 67 -5.604 4.392 -7.341 1.00 0.00 C ATOM 966 C ASN A 67 -6.007 3.354 -6.298 1.00 0.00 C ATOM 967 O ASN A 67 -6.899 3.590 -5.485 1.00 0.00 O ATOM 968 CB ASN A 67 -6.238 4.049 -8.691 1.00 0.00 C ATOM 969 CG ASN A 67 -5.451 2.999 -9.449 1.00 0.00 C ATOM 970 OD1 ASN A 67 -4.511 3.317 -10.177 1.00 0.00 O ATOM 971 ND2 ASN A 67 -5.833 1.738 -9.282 1.00 0.00 N ATOM 0 H ASN A 67 -3.805 4.308 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.966 5.367 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.255 3.692 -8.531 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.309 4.953 -9.296 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.341 0.988 -9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.618 1.520 -8.668 1.00 0.00 H new ATOM 978 N GLU A 68 -5.340 2.204 -6.329 1.00 0.00 N ATOM 979 CA GLU A 68 -5.628 1.128 -5.387 1.00 0.00 C ATOM 980 C GLU A 68 -5.382 1.584 -3.952 1.00 0.00 C ATOM 981 O GLU A 68 -6.290 1.570 -3.120 1.00 0.00 O ATOM 982 CB GLU A 68 -4.770 -0.098 -5.700 1.00 0.00 C ATOM 983 CG GLU A 68 -5.032 -0.691 -7.074 1.00 0.00 C ATOM 984 CD GLU A 68 -6.505 -0.951 -7.325 1.00 0.00 C ATOM 985 OE1 GLU A 68 -7.215 -1.320 -6.366 1.00 0.00 O ATOM 986 OE2 GLU A 68 -6.948 -0.785 -8.481 1.00 0.00 O ATOM 0 H GLU A 68 -4.597 1.994 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.679 0.860 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.718 0.177 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.953 -0.861 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.651 -0.012 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.480 -1.625 -7.174 1.00 0.00 H new ATOM 993 N ILE A 69 -4.146 1.985 -3.668 1.00 0.00 N ATOM 994 CA ILE A 69 -3.781 2.443 -2.334 1.00 0.00 C ATOM 995 C ILE A 69 -4.763 3.493 -1.824 1.00 0.00 C ATOM 996 O ILE A 69 -5.143 3.483 -0.655 1.00 0.00 O ATOM 997 CB ILE A 69 -2.359 3.035 -2.314 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.347 2.008 -2.827 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.994 3.487 -0.907 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.021 2.591 -3.103 1.00 0.00 C ATOM 0 H ILE A 69 -3.382 2.002 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.814 1.571 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.334 3.903 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.250 1.208 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.732 1.557 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.987 3.903 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.700 4.248 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.033 2.634 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.685 1.806 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.062 3.371 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.427 3.017 -2.185 1.00 0.00 H new ATOM 1012 N GLU A 70 -5.170 4.394 -2.712 1.00 0.00 N ATOM 1013 CA GLU A 70 -6.110 5.450 -2.352 1.00 0.00 C ATOM 1014 C GLU A 70 -7.263 4.891 -1.522 1.00 0.00 C ATOM 1015 O GLU A 70 -7.633 5.459 -0.492 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.655 6.129 -3.609 1.00 0.00 C ATOM 1017 CG GLU A 70 -7.610 7.275 -3.317 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.866 8.145 -4.532 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -6.886 8.524 -5.207 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -9.045 8.449 -4.808 1.00 0.00 O ATOM 0 H GLU A 70 -4.864 4.414 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.576 6.187 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.820 6.505 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.168 5.386 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.557 6.871 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.200 7.889 -2.515 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.825 3.777 -1.976 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.938 3.142 -1.277 1.00 0.00 C ATOM 1029 C CYS A 71 -8.447 2.391 -0.044 1.00 0.00 C ATOM 1030 O CYS A 71 -8.997 2.539 1.046 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.675 2.185 -2.213 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.187 1.483 -1.511 1.00 0.00 S ATOM 0 H CYS A 71 -7.529 3.294 -2.824 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.626 3.923 -0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.926 2.714 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.003 1.372 -2.487 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.740 0.688 -2.379 1.00 0.00 H new ATOM 1038 N MET A 72 -7.407 1.581 -0.226 1.00 0.00 N ATOM 1039 CA MET A 72 -6.843 0.806 0.871 1.00 0.00 C ATOM 1040 C MET A 72 -6.714 1.658 2.129 1.00 0.00 C ATOM 1041 O MET A 72 -7.251 1.314 3.182 1.00 0.00 O ATOM 1042 CB MET A 72 -5.475 0.246 0.477 1.00 0.00 C ATOM 1043 CG MET A 72 -5.541 -1.139 -0.146 1.00 0.00 C ATOM 1044 SD MET A 72 -5.677 -1.085 -1.943 1.00 0.00 S ATOM 1045 CE MET A 72 -4.187 -1.955 -2.422 1.00 0.00 C ATOM 0 H MET A 72 -6.940 1.446 -1.122 1.00 0.00 H new ATOM 0 HA MET A 72 -7.519 -0.022 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.001 0.930 -0.227 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.839 0.208 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.649 -1.701 0.130 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.396 -1.677 0.263 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.520 -1.272 -2.949 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.686 -2.336 -1.532 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.446 -2.787 -3.077 1.00 0.00 H new ATOM 1055 N VAL A 73 -5.997 2.771 2.014 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.798 3.673 3.143 1.00 0.00 C ATOM 1057 C VAL A 73 -6.526 4.995 2.924 1.00 0.00 C ATOM 1058 O VAL A 73 -6.714 5.432 1.789 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.302 3.955 3.378 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.506 2.660 3.372 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.771 4.922 2.329 1.00 0.00 C ATOM 0 H VAL A 73 -5.544 3.070 1.150 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.209 3.177 4.022 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.188 4.418 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.452 2.880 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.870 2.005 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.624 2.165 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.713 5.110 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.898 4.488 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.322 5.861 2.388 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.931 5.629 4.020 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.636 6.902 3.949 1.00 0.00 C ATOM 1073 C ALA A 74 -6.685 8.036 3.579 1.00 0.00 C ATOM 1074 O ALA A 74 -5.470 7.845 3.521 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.325 7.199 5.272 1.00 0.00 C ATOM 0 H ALA A 74 -6.783 5.281 4.967 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.392 6.827 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.848 8.153 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.041 6.408 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.581 7.249 6.067 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.246 9.215 3.331 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.446 10.379 2.969 1.00 0.00 C ATOM 1083 C ALA A 75 -5.319 10.605 3.970 1.00 0.00 C ATOM 1084 O ALA A 75 -4.148 10.670 3.597 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.328 11.617 2.877 1.00 0.00 C ATOM 0 H ALA A 75 -8.250 9.389 3.374 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.997 10.191 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.718 12.479 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.095 11.462 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.803 11.798 3.841 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.681 10.723 5.245 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.698 10.943 6.299 1.00 0.00 C ATOM 1093 C GLU A 76 -3.444 10.106 6.058 1.00 0.00 C ATOM 1094 O GLU A 76 -2.324 10.572 6.267 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.297 10.601 7.665 1.00 0.00 C ATOM 1096 CG GLU A 76 -6.038 9.276 7.690 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.486 8.883 9.085 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -5.740 9.159 10.047 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -7.584 8.303 9.214 1.00 0.00 O ATOM 0 H GLU A 76 -6.646 10.670 5.571 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.419 11.997 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.498 10.575 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.981 11.396 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.909 9.339 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.393 8.496 7.287 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.643 8.868 5.618 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.530 7.966 5.349 1.00 0.00 C ATOM 1108 C ILE A 77 -1.972 8.184 3.947 1.00 0.00 C ATOM 1109 O ILE A 77 -0.808 8.545 3.780 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.951 6.492 5.497 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.397 6.209 6.934 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.807 5.571 5.102 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.308 6.431 7.960 1.00 0.00 C ATOM 0 H ILE A 77 -4.564 8.467 5.440 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.758 8.191 6.085 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.792 6.301 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.247 6.848 7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.744 5.178 7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.121 4.533 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.531 5.758 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.948 5.761 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.695 6.211 8.955 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.466 5.773 7.745 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.977 7.469 7.920 1.00 0.00 H new ATOM 1125 N MET A 78 -2.814 7.965 2.941 1.00 0.00 N ATOM 1126 CA MET A 78 -2.405 8.142 1.552 1.00 0.00 C ATOM 1127 C MET A 78 -1.388 9.271 1.423 1.00 0.00 C ATOM 1128 O MET A 78 -0.347 9.112 0.786 1.00 0.00 O ATOM 1129 CB MET A 78 -3.623 8.434 0.673 1.00 0.00 C ATOM 1130 CG MET A 78 -3.313 8.430 -0.816 1.00 0.00 C ATOM 1131 SD MET A 78 -2.552 6.890 -1.362 1.00 0.00 S ATOM 1132 CE MET A 78 -2.092 7.317 -3.039 1.00 0.00 C ATOM 0 H MET A 78 -3.781 7.665 3.062 1.00 0.00 H new ATOM 0 HA MET A 78 -1.937 7.216 1.217 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.395 7.692 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.035 9.405 0.948 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.234 8.594 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.647 9.262 -1.047 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.640 6.452 -3.524 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.980 7.621 -3.594 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.376 8.139 -3.022 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.697 10.412 2.031 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.810 11.568 1.983 1.00 0.00 C ATOM 1144 C GLN A 79 0.625 11.166 2.305 1.00 0.00 C ATOM 1145 O GLN A 79 1.557 11.526 1.585 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.283 12.642 2.964 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.759 14.032 2.644 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.574 14.733 1.576 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.669 14.290 1.225 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -1.045 15.832 1.052 1.00 0.00 N ATOM 0 H GLN A 79 -2.555 10.560 2.562 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.837 11.973 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.373 12.665 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.968 12.367 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.762 14.635 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.277 13.958 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.135 16.163 1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.548 16.345 0.329 1.00 0.00 H new ATOM 1159 N ARG A 80 0.797 10.418 3.390 1.00 0.00 N ATOM 1160 CA ARG A 80 2.119 9.969 3.808 1.00 0.00 C ATOM 1161 C ARG A 80 2.838 9.259 2.665 1.00 0.00 C ATOM 1162 O ARG A 80 4.068 9.222 2.618 1.00 0.00 O ATOM 1163 CB ARG A 80 2.006 9.034 5.013 1.00 0.00 C ATOM 1164 CG ARG A 80 1.460 9.711 6.259 1.00 0.00 C ATOM 1165 CD ARG A 80 1.825 8.938 7.518 1.00 0.00 C ATOM 1166 NE ARG A 80 1.268 9.554 8.719 1.00 0.00 N ATOM 1167 CZ ARG A 80 1.757 9.360 9.939 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.807 8.570 10.117 1.00 0.00 N ATOM 1169 NH2 ARG A 80 1.195 9.956 10.982 1.00 0.00 N ATOM 0 H ARG A 80 0.036 10.110 3.996 1.00 0.00 H new ATOM 0 HA ARG A 80 2.701 10.846 4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.360 8.196 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.990 8.621 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.854 10.725 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.376 9.795 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.460 7.914 7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.910 8.884 7.608 1.00 0.00 H new ATOM 0 HE ARG A 80 0.459 10.167 8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.241 8.110 9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.181 8.422 11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.387 10.564 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.571 9.807 11.918 1.00 0.00 H new ATOM 1183 N TYR A 81 2.063 8.696 1.744 1.00 0.00 N ATOM 1184 CA TYR A 81 2.625 7.983 0.603 1.00 0.00 C ATOM 1185 C TYR A 81 2.876 8.935 -0.562 1.00 0.00 C ATOM 1186 O TYR A 81 3.891 8.836 -1.254 1.00 0.00 O ATOM 1187 CB TYR A 81 1.686 6.858 0.163 1.00 0.00 C ATOM 1188 CG TYR A 81 1.997 6.313 -1.211 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.103 5.499 -1.423 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.185 6.610 -2.299 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.392 4.998 -2.678 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.466 6.113 -3.557 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.570 5.307 -3.741 1.00 0.00 C ATOM 1194 OH TYR A 81 2.853 4.810 -4.993 1.00 0.00 O ATOM 0 H TYR A 81 1.044 8.720 1.766 1.00 0.00 H new ATOM 0 HA TYR A 81 3.578 7.552 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.741 6.046 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.660 7.227 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.748 5.254 -0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.319 7.240 -2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.257 4.368 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.825 6.354 -4.392 1.00 0.00 H new ATOM 0 HH TYR A 81 2.176 5.121 -5.629 1.00 0.00 H new ATOM 1204 N LYS A 82 1.946 9.859 -0.775 1.00 0.00 N ATOM 1205 CA LYS A 82 2.065 10.832 -1.854 1.00 0.00 C ATOM 1206 C LYS A 82 3.322 11.679 -1.688 1.00 0.00 C ATOM 1207 O LYS A 82 4.122 11.812 -2.613 1.00 0.00 O ATOM 1208 CB LYS A 82 0.829 11.735 -1.894 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.473 10.975 -2.074 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.510 11.813 -2.806 1.00 0.00 C ATOM 1211 CE LYS A 82 -2.246 12.745 -1.856 1.00 0.00 C ATOM 1212 NZ LYS A 82 -1.565 14.064 -1.735 1.00 0.00 N ATOM 0 H LYS A 82 1.100 9.955 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 82 2.139 10.286 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.779 12.310 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.938 12.450 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.286 10.057 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.862 10.682 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.022 12.398 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.226 11.157 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.266 12.894 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.315 12.280 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.133 14.694 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.625 13.932 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.461 14.489 -2.679 1.00 0.00 H new ATOM 1226 N LYS A 83 3.492 12.250 -0.500 1.00 0.00 N ATOM 1227 CA LYS A 83 4.653 13.083 -0.209 1.00 0.00 C ATOM 1228 C LYS A 83 5.947 12.301 -0.411 1.00 0.00 C ATOM 1229 O LYS A 83 6.918 12.820 -0.963 1.00 0.00 O ATOM 1230 CB LYS A 83 4.582 13.611 1.225 1.00 0.00 C ATOM 1231 CG LYS A 83 4.682 12.521 2.280 1.00 0.00 C ATOM 1232 CD LYS A 83 4.761 13.106 3.680 1.00 0.00 C ATOM 1233 CE LYS A 83 5.510 12.182 4.629 1.00 0.00 C ATOM 1234 NZ LYS A 83 5.735 12.815 5.958 1.00 0.00 N ATOM 0 H LYS A 83 2.839 12.151 0.278 1.00 0.00 H new ATOM 0 HA LYS A 83 4.646 13.926 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.387 14.329 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.644 14.150 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.816 11.863 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.564 11.909 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.261 14.074 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.754 13.281 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.945 11.259 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.470 11.910 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.248 12.154 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.296 13.683 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.819 13.051 6.390 1.00 0.00 H new ATOM 1248 N LEU A 84 5.953 11.050 0.038 1.00 0.00 N ATOM 1249 CA LEU A 84 7.128 10.196 -0.095 1.00 0.00 C ATOM 1250 C LEU A 84 7.699 10.270 -1.509 1.00 0.00 C ATOM 1251 O LEU A 84 8.894 10.490 -1.694 1.00 0.00 O ATOM 1252 CB LEU A 84 6.772 8.748 0.248 1.00 0.00 C ATOM 1253 CG LEU A 84 6.862 8.368 1.726 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.332 6.960 1.948 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.297 8.483 2.220 1.00 0.00 C ATOM 0 H LEU A 84 5.158 10.605 0.497 1.00 0.00 H new ATOM 0 HA LEU A 84 7.886 10.553 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.756 8.553 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.431 8.089 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 84 6.245 9.061 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.404 6.707 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.290 6.910 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.922 6.253 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.342 8.209 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.935 7.813 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.643 9.509 2.097 1.00 0.00 H new ATOM 1267 N GLN A 85 6.833 10.086 -2.500 1.00 0.00 N ATOM 1268 CA GLN A 85 7.251 10.133 -3.897 1.00 0.00 C ATOM 1269 C GLN A 85 7.946 11.454 -4.213 1.00 0.00 C ATOM 1270 O GLN A 85 9.078 11.470 -4.695 1.00 0.00 O ATOM 1271 CB GLN A 85 6.044 9.945 -4.818 1.00 0.00 C ATOM 1272 CG GLN A 85 5.645 8.491 -5.009 1.00 0.00 C ATOM 1273 CD GLN A 85 6.514 7.775 -6.024 1.00 0.00 C ATOM 1274 OE1 GLN A 85 7.400 6.999 -5.662 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.266 8.032 -7.303 1.00 0.00 N ATOM 0 H GLN A 85 5.839 9.903 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 85 7.959 9.322 -4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.196 10.495 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.268 10.382 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.708 7.972 -4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.604 8.443 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.522 8.682 -7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.819 7.580 -8.031 1.00 0.00 H new ATOM 1284 N PHE A 86 7.261 12.558 -3.937 1.00 0.00 N ATOM 1285 CA PHE A 86 7.811 13.883 -4.192 1.00 0.00 C ATOM 1286 C PHE A 86 9.273 13.958 -3.759 1.00 0.00 C ATOM 1287 O PHE A 86 10.141 14.352 -4.537 1.00 0.00 O ATOM 1288 CB PHE A 86 6.996 14.949 -3.458 1.00 0.00 C ATOM 1289 CG PHE A 86 7.585 16.328 -3.553 1.00 0.00 C ATOM 1290 CD1 PHE A 86 8.736 16.653 -2.854 1.00 0.00 C ATOM 1291 CD2 PHE A 86 6.989 17.297 -4.344 1.00 0.00 C ATOM 1292 CE1 PHE A 86 9.280 17.920 -2.940 1.00 0.00 C ATOM 1293 CE2 PHE A 86 7.529 18.566 -4.433 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.676 18.878 -3.731 1.00 0.00 C ATOM 0 H PHE A 86 6.323 12.561 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 86 7.757 14.070 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.985 14.966 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.912 14.671 -2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.213 15.908 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.093 17.058 -4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 86 10.177 18.161 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.054 19.313 -5.051 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.100 19.869 -3.800 1.00 0.00 H new