USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1003 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 102 SER OG : rot 104:sc= 0.615 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.455 K(o=1.1,f=-0.66) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-4.5!) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.236) USER MOD Single : A 6 SER OG : rot 45:sc= 0.742 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 12 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -3.04! C(o=-3!,f=-3.7!) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.6 K(o=-2.6,f=-5.9!) USER MOD Single : A 46 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.04) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 59:sc= 0.139 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0237) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc=-0.00737 X(o=-0.0074,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00861 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= 0.686 (180deg=0.0774) USER MOD Single : A 83 THR OG1 : rot 145:sc= -0.455 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.8!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -103:sc=-0.00073 (180deg=-1.1) USER MOD Single : A 99 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.4!) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc=-0.000677 (180deg=-0.16) USER MOD Single : A 104 THR OG1 : rot 96:sc= 0.00989 USER MOD Single : A 107 ASN : amide:sc=-0.00584 X(o=-0.0058,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0321) USER MOD Single : A 126 SER OG : rot -90:sc= -0.948 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -12.097 -8.722 -4.464 1.00 0.00 N ATOM 68 CA SER A 6 -12.434 -7.314 -4.580 1.00 0.00 C ATOM 69 C SER A 6 -13.150 -6.841 -3.314 1.00 0.00 C ATOM 70 O SER A 6 -14.335 -7.116 -3.127 1.00 0.00 O ATOM 71 CB SER A 6 -13.306 -7.057 -5.811 1.00 0.00 C ATOM 72 OG SER A 6 -14.534 -7.778 -5.756 1.00 0.00 O ATOM 0 HA SER A 6 -11.509 -6.749 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.515 -5.990 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.758 -7.342 -6.709 1.00 0.00 H new ATOM 0 HG SER A 6 -14.923 -7.694 -4.861 1.00 0.00 H new ATOM 78 N GLY A 7 -12.401 -6.138 -2.477 1.00 0.00 N ATOM 79 CA GLY A 7 -12.950 -5.624 -1.233 1.00 0.00 C ATOM 80 C GLY A 7 -12.521 -4.174 -1.002 1.00 0.00 C ATOM 81 O GLY A 7 -11.386 -3.805 -1.300 1.00 0.00 O ATOM 0 H GLY A 7 -11.419 -5.912 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.038 -5.685 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.615 -6.243 -0.401 1.00 0.00 H new ATOM 85 N LYS A 8 -13.450 -3.392 -0.472 1.00 0.00 N ATOM 86 CA LYS A 8 -13.181 -1.991 -0.198 1.00 0.00 C ATOM 87 C LYS A 8 -12.584 -1.856 1.204 1.00 0.00 C ATOM 88 O LYS A 8 -12.833 -2.690 2.073 1.00 0.00 O ATOM 89 CB LYS A 8 -14.442 -1.152 -0.412 1.00 0.00 C ATOM 90 CG LYS A 8 -14.086 0.283 -0.806 1.00 0.00 C ATOM 91 CD LYS A 8 -15.300 1.009 -1.389 1.00 0.00 C ATOM 92 CE LYS A 8 -15.343 0.869 -2.912 1.00 0.00 C ATOM 93 NZ LYS A 8 -15.866 2.107 -3.532 1.00 0.00 N ATOM 0 H LYS A 8 -14.390 -3.702 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.443 -1.600 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.056 -1.605 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.038 -1.145 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.719 0.823 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.278 0.273 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.214 0.602 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.262 2.064 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.343 0.659 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.973 0.023 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.888 1.995 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.828 2.291 -3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.249 2.907 -3.284 1.00 0.00 H new ATOM 106 N TYR A 9 -11.806 -0.798 1.381 1.00 0.00 N ATOM 107 CA TYR A 9 -11.170 -0.543 2.663 1.00 0.00 C ATOM 108 C TYR A 9 -11.206 0.948 3.006 1.00 0.00 C ATOM 109 O TYR A 9 -11.104 1.795 2.119 1.00 0.00 O ATOM 110 CB TYR A 9 -9.714 -0.983 2.507 1.00 0.00 C ATOM 111 CG TYR A 9 -9.523 -2.502 2.465 1.00 0.00 C ATOM 112 CD1 TYR A 9 -9.574 -3.169 1.259 1.00 0.00 C ATOM 113 CD2 TYR A 9 -9.301 -3.202 3.633 1.00 0.00 C ATOM 114 CE1 TYR A 9 -9.395 -4.599 1.218 1.00 0.00 C ATOM 115 CE2 TYR A 9 -9.123 -4.630 3.594 1.00 0.00 C ATOM 116 CZ TYR A 9 -9.179 -5.257 2.388 1.00 0.00 C ATOM 117 OH TYR A 9 -9.009 -6.606 2.351 1.00 0.00 O ATOM 0 H TYR A 9 -11.602 -0.108 0.658 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.685 -1.079 3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.311 -0.551 1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.132 -0.577 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.748 -2.620 0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.261 -2.679 4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.432 -5.134 0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.949 -5.190 4.501 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.863 -6.942 3.260 1.00 0.00 H new ATOM 127 N GLN A 10 -11.351 1.223 4.293 1.00 0.00 N ATOM 128 CA GLN A 10 -11.400 2.596 4.764 1.00 0.00 C ATOM 129 C GLN A 10 -10.478 2.778 5.971 1.00 0.00 C ATOM 130 O GLN A 10 -10.392 1.901 6.829 1.00 0.00 O ATOM 131 CB GLN A 10 -12.835 3.008 5.104 1.00 0.00 C ATOM 132 CG GLN A 10 -13.568 3.517 3.861 1.00 0.00 C ATOM 133 CD GLN A 10 -14.469 4.705 4.205 1.00 0.00 C ATOM 134 OE1 GLN A 10 -15.668 4.575 4.389 1.00 0.00 O ATOM 135 NE2 GLN A 10 -13.827 5.867 4.280 1.00 0.00 N ATOM 0 H GLN A 10 -11.436 0.518 5.025 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.049 3.246 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.372 2.157 5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.823 3.786 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.843 3.813 3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.167 2.713 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.821 5.906 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.340 6.720 4.503 1.00 0.00 H new ATOM 144 N LEU A 11 -9.810 3.922 5.998 1.00 0.00 N ATOM 145 CA LEU A 11 -8.896 4.230 7.085 1.00 0.00 C ATOM 146 C LEU A 11 -9.535 3.819 8.414 1.00 0.00 C ATOM 147 O LEU A 11 -10.573 4.354 8.800 1.00 0.00 O ATOM 148 CB LEU A 11 -8.479 5.701 7.034 1.00 0.00 C ATOM 149 CG LEU A 11 -7.092 6.024 7.594 1.00 0.00 C ATOM 150 CD1 LEU A 11 -6.976 5.587 9.055 1.00 0.00 C ATOM 151 CD2 LEU A 11 -5.992 5.412 6.723 1.00 0.00 C ATOM 0 H LEU A 11 -9.884 4.647 5.284 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.975 3.657 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.517 6.033 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.216 6.287 7.583 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.957 7.105 7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.981 5.828 9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.724 6.109 9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.140 4.512 9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.017 5.657 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.113 4.329 6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.063 5.814 5.712 1.00 0.00 H new ATOM 163 N GLN A 12 -8.887 2.872 9.076 1.00 0.00 N ATOM 164 CA GLN A 12 -9.379 2.382 10.353 1.00 0.00 C ATOM 165 C GLN A 12 -8.432 2.797 11.481 1.00 0.00 C ATOM 166 O GLN A 12 -8.836 3.493 12.411 1.00 0.00 O ATOM 167 CB GLN A 12 -9.565 0.864 10.324 1.00 0.00 C ATOM 168 CG GLN A 12 -10.706 0.433 11.248 1.00 0.00 C ATOM 169 CD GLN A 12 -10.366 -0.874 11.966 1.00 0.00 C ATOM 170 OE1 GLN A 12 -9.214 -1.207 12.193 1.00 0.00 O ATOM 171 NE2 GLN A 12 -11.429 -1.595 12.309 1.00 0.00 N ATOM 0 H GLN A 12 -8.026 2.431 8.753 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.355 2.830 10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.775 0.539 9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.640 0.375 10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.900 1.215 11.982 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.620 0.306 10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.366 -1.258 12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.307 -2.485 12.792 1.00 0.00 H new ATOM 180 N SER A 13 -7.189 2.353 11.360 1.00 0.00 N ATOM 181 CA SER A 13 -6.181 2.669 12.357 1.00 0.00 C ATOM 182 C SER A 13 -4.824 2.879 11.682 1.00 0.00 C ATOM 183 O SER A 13 -4.579 2.353 10.598 1.00 0.00 O ATOM 184 CB SER A 13 -6.084 1.565 13.412 1.00 0.00 C ATOM 185 OG SER A 13 -6.286 2.066 14.730 1.00 0.00 O ATOM 0 H SER A 13 -6.858 1.777 10.586 1.00 0.00 H new ATOM 0 HA SER A 13 -6.475 3.590 12.860 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.825 0.795 13.200 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.105 1.090 13.351 1.00 0.00 H new ATOM 0 HG SER A 13 -6.218 1.330 15.374 1.00 0.00 H new ATOM 191 N GLN A 14 -3.979 3.650 12.351 1.00 0.00 N ATOM 192 CA GLN A 14 -2.654 3.936 11.829 1.00 0.00 C ATOM 193 C GLN A 14 -1.655 4.096 12.976 1.00 0.00 C ATOM 194 O GLN A 14 -2.029 4.485 14.081 1.00 0.00 O ATOM 195 CB GLN A 14 -2.672 5.181 10.940 1.00 0.00 C ATOM 196 CG GLN A 14 -3.338 4.884 9.595 1.00 0.00 C ATOM 197 CD GLN A 14 -3.216 6.080 8.648 1.00 0.00 C ATOM 198 OE1 GLN A 14 -3.707 7.165 8.910 1.00 0.00 O ATOM 199 NE2 GLN A 14 -2.537 5.820 7.534 1.00 0.00 N ATOM 0 H GLN A 14 -4.187 4.085 13.250 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.338 3.094 11.213 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.207 5.985 11.445 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.653 5.530 10.776 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.875 4.008 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.390 4.644 9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.152 4.889 7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.402 6.552 6.837 1.00 0.00 H new ATOM 208 N GLU A 15 -0.402 3.787 12.675 1.00 0.00 N ATOM 209 CA GLU A 15 0.655 3.892 13.668 1.00 0.00 C ATOM 210 C GLU A 15 1.938 4.421 13.023 1.00 0.00 C ATOM 211 O GLU A 15 2.254 4.074 11.887 1.00 0.00 O ATOM 212 CB GLU A 15 0.899 2.546 14.352 1.00 0.00 C ATOM 213 CG GLU A 15 0.617 2.635 15.853 1.00 0.00 C ATOM 214 CD GLU A 15 0.892 1.296 16.543 1.00 0.00 C ATOM 215 OE1 GLU A 15 0.086 0.361 16.425 1.00 0.00 O ATOM 216 OE2 GLU A 15 1.990 1.246 17.219 1.00 0.00 O ATOM 0 H GLU A 15 -0.095 3.464 11.758 1.00 0.00 H new ATOM 0 HA GLU A 15 0.339 4.600 14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.261 1.785 13.903 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.931 2.233 14.190 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.239 3.412 16.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.421 2.925 16.015 1.00 0.00 H new ATOM 224 N ASN A 16 2.641 5.253 13.778 1.00 0.00 N ATOM 225 CA ASN A 16 3.882 5.834 13.296 1.00 0.00 C ATOM 226 C ASN A 16 3.647 6.457 11.918 1.00 0.00 C ATOM 227 O ASN A 16 4.441 6.262 11.000 1.00 0.00 O ATOM 228 CB ASN A 16 4.969 4.768 13.152 1.00 0.00 C ATOM 229 CG ASN A 16 5.648 4.492 14.494 1.00 0.00 C ATOM 230 OD1 ASN A 16 6.644 5.100 14.853 1.00 0.00 O ATOM 231 ND2 ASN A 16 5.057 3.545 15.216 1.00 0.00 N ATOM 0 H ASN A 16 2.374 5.538 14.720 1.00 0.00 H new ATOM 0 HA ASN A 16 4.205 6.585 14.017 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.531 3.847 12.766 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.712 5.097 12.425 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.435 3.289 16.128 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.226 3.075 14.858 1.00 0.00 H new ATOM 238 N PHE A 17 2.551 7.195 11.817 1.00 0.00 N ATOM 239 CA PHE A 17 2.200 7.849 10.567 1.00 0.00 C ATOM 240 C PHE A 17 3.168 8.992 10.257 1.00 0.00 C ATOM 241 O PHE A 17 3.656 9.110 9.134 1.00 0.00 O ATOM 242 CB PHE A 17 0.792 8.421 10.741 1.00 0.00 C ATOM 243 CG PHE A 17 0.188 8.986 9.455 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.740 10.081 8.867 1.00 0.00 C ATOM 245 CD2 PHE A 17 -0.902 8.394 8.898 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.178 10.607 7.674 1.00 0.00 C ATOM 247 CE2 PHE A 17 -1.465 8.918 7.705 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.912 10.013 7.117 1.00 0.00 C ATOM 0 H PHE A 17 1.894 7.355 12.581 1.00 0.00 H new ATOM 0 HA PHE A 17 2.249 7.134 9.746 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.138 7.638 11.124 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.821 9.209 11.494 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.607 10.551 9.308 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.340 7.524 9.364 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.615 11.478 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.332 8.448 7.264 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.338 10.411 6.208 1.00 0.00 H new ATOM 258 N GLU A 18 3.419 9.806 11.272 1.00 0.00 N ATOM 259 CA GLU A 18 4.320 10.936 11.121 1.00 0.00 C ATOM 260 C GLU A 18 5.773 10.455 11.092 1.00 0.00 C ATOM 261 O GLU A 18 6.642 11.130 10.541 1.00 0.00 O ATOM 262 CB GLU A 18 4.105 11.962 12.236 1.00 0.00 C ATOM 263 CG GLU A 18 5.314 12.888 12.370 1.00 0.00 C ATOM 264 CD GLU A 18 4.892 14.272 12.867 1.00 0.00 C ATOM 265 OE1 GLU A 18 3.794 14.423 13.422 1.00 0.00 O ATOM 266 OE2 GLU A 18 5.752 15.211 12.659 1.00 0.00 O ATOM 0 H GLU A 18 3.014 9.705 12.203 1.00 0.00 H new ATOM 0 HA GLU A 18 4.100 11.427 10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.213 12.551 12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.931 11.447 13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.035 12.453 13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.814 12.981 11.406 1.00 0.00 H new ATOM 274 N ALA A 19 5.991 9.294 11.691 1.00 0.00 N ATOM 275 CA ALA A 19 7.324 8.716 11.740 1.00 0.00 C ATOM 276 C ALA A 19 7.710 8.218 10.346 1.00 0.00 C ATOM 277 O ALA A 19 8.820 8.469 9.880 1.00 0.00 O ATOM 278 CB ALA A 19 7.359 7.602 12.788 1.00 0.00 C ATOM 0 H ALA A 19 5.268 8.738 12.147 1.00 0.00 H new ATOM 0 HA ALA A 19 8.057 9.466 12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.358 7.168 12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.106 8.014 13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.638 6.829 12.522 1.00 0.00 H new ATOM 284 N PHE A 20 6.773 7.522 9.721 1.00 0.00 N ATOM 285 CA PHE A 20 7.002 6.986 8.389 1.00 0.00 C ATOM 286 C PHE A 20 7.190 8.112 7.370 1.00 0.00 C ATOM 287 O PHE A 20 7.836 7.920 6.341 1.00 0.00 O ATOM 288 CB PHE A 20 5.759 6.177 8.012 1.00 0.00 C ATOM 289 CG PHE A 20 5.987 5.178 6.876 1.00 0.00 C ATOM 290 CD1 PHE A 20 6.986 4.260 6.969 1.00 0.00 C ATOM 291 CD2 PHE A 20 5.191 5.209 5.774 1.00 0.00 C ATOM 292 CE1 PHE A 20 7.197 3.333 5.914 1.00 0.00 C ATOM 293 CE2 PHE A 20 5.403 4.282 4.719 1.00 0.00 C ATOM 294 CZ PHE A 20 6.402 3.364 4.812 1.00 0.00 C ATOM 0 H PHE A 20 5.853 7.316 10.111 1.00 0.00 H new ATOM 0 HA PHE A 20 7.903 6.373 8.385 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.409 5.637 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.964 6.865 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.618 4.236 7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.398 5.938 5.701 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.990 2.603 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.771 4.306 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.564 2.659 4.010 1.00 0.00 H new ATOM 304 N MET A 21 6.615 9.261 7.693 1.00 0.00 N ATOM 305 CA MET A 21 6.711 10.417 6.818 1.00 0.00 C ATOM 306 C MET A 21 8.016 11.180 7.059 1.00 0.00 C ATOM 307 O MET A 21 8.601 11.726 6.126 1.00 0.00 O ATOM 308 CB MET A 21 5.522 11.348 7.068 1.00 0.00 C ATOM 309 CG MET A 21 4.241 10.774 6.461 1.00 0.00 C ATOM 310 SD MET A 21 4.208 11.080 4.703 1.00 0.00 S ATOM 311 CE MET A 21 3.007 9.860 4.199 1.00 0.00 C ATOM 0 H MET A 21 6.081 9.416 8.548 1.00 0.00 H new ATOM 0 HA MET A 21 6.700 10.069 5.785 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.388 11.493 8.140 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.726 12.328 6.637 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.186 9.702 6.653 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.370 11.227 6.934 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.865 9.914 3.120 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.363 8.866 4.469 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.059 10.054 4.700 1.00 0.00 H new ATOM 321 N LYS A 22 8.432 11.192 8.316 1.00 0.00 N ATOM 322 CA LYS A 22 9.658 11.878 8.692 1.00 0.00 C ATOM 323 C LYS A 22 10.857 11.121 8.119 1.00 0.00 C ATOM 324 O LYS A 22 11.893 11.719 7.832 1.00 0.00 O ATOM 325 CB LYS A 22 9.719 12.072 10.208 1.00 0.00 C ATOM 326 CG LYS A 22 11.021 12.761 10.620 1.00 0.00 C ATOM 327 CD LYS A 22 10.770 14.220 11.011 1.00 0.00 C ATOM 328 CE LYS A 22 12.077 14.918 11.389 1.00 0.00 C ATOM 329 NZ LYS A 22 12.026 16.349 11.013 1.00 0.00 N ATOM 0 H LYS A 22 7.943 10.738 9.088 1.00 0.00 H new ATOM 0 HA LYS A 22 9.681 12.881 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.868 12.668 10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.642 11.105 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.469 12.228 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.735 12.719 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.299 14.747 10.181 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.076 14.261 11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.250 14.823 12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.914 14.433 10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.921 16.809 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.882 16.433 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.239 16.811 11.512 1.00 0.00 H new ATOM 342 N ALA A 23 10.677 9.817 7.970 1.00 0.00 N ATOM 343 CA ALA A 23 11.732 8.972 7.435 1.00 0.00 C ATOM 344 C ALA A 23 12.024 9.380 5.990 1.00 0.00 C ATOM 345 O ALA A 23 13.176 9.372 5.559 1.00 0.00 O ATOM 346 CB ALA A 23 11.320 7.504 7.555 1.00 0.00 C ATOM 0 H ALA A 23 9.817 9.325 8.210 1.00 0.00 H new ATOM 0 HA ALA A 23 12.652 9.100 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.111 6.870 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.154 7.257 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.401 7.337 6.993 1.00 0.00 H new ATOM 352 N ILE A 24 10.960 9.726 5.281 1.00 0.00 N ATOM 353 CA ILE A 24 11.087 10.136 3.892 1.00 0.00 C ATOM 354 C ILE A 24 11.463 11.618 3.834 1.00 0.00 C ATOM 355 O ILE A 24 12.063 12.073 2.861 1.00 0.00 O ATOM 356 CB ILE A 24 9.815 9.794 3.114 1.00 0.00 C ATOM 357 CG1 ILE A 24 8.594 10.476 3.733 1.00 0.00 C ATOM 358 CG2 ILE A 24 9.631 8.279 3.003 1.00 0.00 C ATOM 359 CD1 ILE A 24 7.386 10.394 2.797 1.00 0.00 C ATOM 0 H ILE A 24 10.006 9.731 5.642 1.00 0.00 H new ATOM 0 HA ILE A 24 11.890 9.584 3.404 1.00 0.00 H new ATOM 0 HB ILE A 24 9.920 10.181 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.353 10.004 4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.825 11.520 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.720 8.063 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.486 7.846 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.557 7.847 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.532 10.886 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.622 10.888 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.143 9.349 2.607 1.00 0.00 H new ATOM 371 N GLY A 25 11.097 12.330 4.890 1.00 0.00 N ATOM 372 CA GLY A 25 11.389 13.751 4.972 1.00 0.00 C ATOM 373 C GLY A 25 10.138 14.585 4.687 1.00 0.00 C ATOM 374 O GLY A 25 10.210 15.606 4.005 1.00 0.00 O ATOM 0 H GLY A 25 10.601 11.949 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.772 13.991 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.172 14.007 4.258 1.00 0.00 H new ATOM 378 N LEU A 26 9.021 14.119 5.224 1.00 0.00 N ATOM 379 CA LEU A 26 7.755 14.809 5.037 1.00 0.00 C ATOM 380 C LEU A 26 7.516 15.756 6.213 1.00 0.00 C ATOM 381 O LEU A 26 7.777 15.403 7.362 1.00 0.00 O ATOM 382 CB LEU A 26 6.624 13.803 4.818 1.00 0.00 C ATOM 383 CG LEU A 26 6.110 13.672 3.382 1.00 0.00 C ATOM 384 CD1 LEU A 26 5.021 14.706 3.093 1.00 0.00 C ATOM 385 CD2 LEU A 26 7.262 13.757 2.378 1.00 0.00 C ATOM 0 H LEU A 26 8.965 13.272 5.789 1.00 0.00 H new ATOM 0 HA LEU A 26 7.785 15.421 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.967 12.823 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.787 14.082 5.458 1.00 0.00 H new ATOM 0 HG LEU A 26 5.656 12.687 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.673 14.591 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.186 14.556 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.426 15.709 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.870 13.661 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.766 14.718 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.972 12.952 2.570 1.00 0.00 H new ATOM 397 N PRO A 27 7.010 16.974 5.878 1.00 0.00 N ATOM 398 CA PRO A 27 6.734 17.975 6.894 1.00 0.00 C ATOM 399 C PRO A 27 5.467 17.625 7.677 1.00 0.00 C ATOM 400 O PRO A 27 4.712 16.737 7.282 1.00 0.00 O ATOM 401 CB PRO A 27 6.618 19.286 6.133 1.00 0.00 C ATOM 402 CG PRO A 27 6.373 18.906 4.682 1.00 0.00 C ATOM 403 CD PRO A 27 6.689 17.427 4.527 1.00 0.00 C ATOM 0 HA PRO A 27 7.518 18.036 7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.799 19.892 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.528 19.878 6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.338 19.106 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.001 19.502 4.020 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.839 16.881 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.526 17.270 3.847 1.00 0.00 H new ATOM 411 N GLU A 28 5.272 18.341 8.775 1.00 0.00 N ATOM 412 CA GLU A 28 4.109 18.118 9.618 1.00 0.00 C ATOM 413 C GLU A 28 2.859 18.717 8.967 1.00 0.00 C ATOM 414 O GLU A 28 1.749 18.236 9.188 1.00 0.00 O ATOM 415 CB GLU A 28 4.328 18.693 11.018 1.00 0.00 C ATOM 416 CG GLU A 28 2.996 18.891 11.744 1.00 0.00 C ATOM 417 CD GLU A 28 3.173 18.761 13.259 1.00 0.00 C ATOM 418 OE1 GLU A 28 4.256 19.057 13.784 1.00 0.00 O ATOM 419 OE2 GLU A 28 2.133 18.336 13.894 1.00 0.00 O ATOM 0 H GLU A 28 5.900 19.076 9.100 1.00 0.00 H new ATOM 0 HA GLU A 28 3.961 17.043 9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.965 18.022 11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.852 19.646 10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.590 19.874 11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.274 18.154 11.394 1.00 0.00 H new ATOM 427 N GLU A 29 3.082 19.759 8.180 1.00 0.00 N ATOM 428 CA GLU A 29 1.989 20.429 7.497 1.00 0.00 C ATOM 429 C GLU A 29 1.284 19.459 6.546 1.00 0.00 C ATOM 430 O GLU A 29 0.057 19.372 6.541 1.00 0.00 O ATOM 431 CB GLU A 29 2.487 21.667 6.748 1.00 0.00 C ATOM 432 CG GLU A 29 1.501 22.078 5.652 1.00 0.00 C ATOM 433 CD GLU A 29 1.391 23.601 5.557 1.00 0.00 C ATOM 434 OE1 GLU A 29 0.843 24.241 6.467 1.00 0.00 O ATOM 435 OE2 GLU A 29 1.900 24.118 4.490 1.00 0.00 O ATOM 0 H GLU A 29 4.004 20.156 8.000 1.00 0.00 H new ATOM 0 HA GLU A 29 1.269 20.763 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.621 22.491 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.462 21.462 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.827 21.673 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.520 21.651 5.861 1.00 0.00 H new ATOM 443 N LEU A 30 2.090 18.755 5.765 1.00 0.00 N ATOM 444 CA LEU A 30 1.559 17.795 4.813 1.00 0.00 C ATOM 445 C LEU A 30 1.018 16.579 5.568 1.00 0.00 C ATOM 446 O LEU A 30 0.011 15.994 5.170 1.00 0.00 O ATOM 447 CB LEU A 30 2.612 17.446 3.760 1.00 0.00 C ATOM 448 CG LEU A 30 2.746 18.427 2.594 1.00 0.00 C ATOM 449 CD1 LEU A 30 3.993 18.121 1.761 1.00 0.00 C ATOM 450 CD2 LEU A 30 1.476 18.441 1.741 1.00 0.00 C ATOM 0 H LEU A 30 3.107 18.830 5.772 1.00 0.00 H new ATOM 0 HA LEU A 30 0.723 18.227 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.580 17.367 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.380 16.461 3.355 1.00 0.00 H new ATOM 0 HG LEU A 30 2.870 19.430 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.065 18.833 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.880 18.202 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.924 17.110 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.598 19.146 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.296 17.444 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.628 18.743 2.356 1.00 0.00 H new ATOM 462 N ILE A 31 1.708 16.237 6.646 1.00 0.00 N ATOM 463 CA ILE A 31 1.309 15.101 7.460 1.00 0.00 C ATOM 464 C ILE A 31 -0.018 15.417 8.153 1.00 0.00 C ATOM 465 O ILE A 31 -0.921 14.583 8.183 1.00 0.00 O ATOM 466 CB ILE A 31 2.431 14.715 8.426 1.00 0.00 C ATOM 467 CG1 ILE A 31 3.655 14.198 7.668 1.00 0.00 C ATOM 468 CG2 ILE A 31 1.935 13.710 9.468 1.00 0.00 C ATOM 469 CD1 ILE A 31 4.904 14.241 8.550 1.00 0.00 C ATOM 0 H ILE A 31 2.540 16.726 6.975 1.00 0.00 H new ATOM 0 HA ILE A 31 1.141 14.224 6.835 1.00 0.00 H new ATOM 0 HB ILE A 31 2.741 15.611 8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.476 13.176 7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.815 14.801 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.752 13.452 10.142 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.118 14.151 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.581 12.810 8.966 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.760 13.868 7.987 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.094 15.268 8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.749 13.617 9.431 1.00 0.00 H new ATOM 481 N GLN A 32 -0.094 16.625 8.693 1.00 0.00 N ATOM 482 CA GLN A 32 -1.296 17.062 9.384 1.00 0.00 C ATOM 483 C GLN A 32 -2.441 17.251 8.387 1.00 0.00 C ATOM 484 O GLN A 32 -3.610 17.126 8.749 1.00 0.00 O ATOM 485 CB GLN A 32 -1.038 18.346 10.173 1.00 0.00 C ATOM 486 CG GLN A 32 -2.350 19.065 10.496 1.00 0.00 C ATOM 487 CD GLN A 32 -2.244 19.836 11.813 1.00 0.00 C ATOM 488 OE1 GLN A 32 -1.469 20.768 11.956 1.00 0.00 O ATOM 489 NE2 GLN A 32 -3.063 19.397 12.765 1.00 0.00 N ATOM 0 H GLN A 32 0.657 17.315 8.666 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.584 16.289 10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.512 18.109 11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.389 19.006 9.597 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.601 19.752 9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.160 18.339 10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.687 18.612 12.579 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.067 19.846 13.681 1.00 0.00 H new ATOM 498 N LYS A 33 -2.065 17.551 7.152 1.00 0.00 N ATOM 499 CA LYS A 33 -3.046 17.759 6.100 1.00 0.00 C ATOM 500 C LYS A 33 -3.632 16.409 5.681 1.00 0.00 C ATOM 501 O LYS A 33 -4.851 16.241 5.646 1.00 0.00 O ATOM 502 CB LYS A 33 -2.433 18.550 4.944 1.00 0.00 C ATOM 503 CG LYS A 33 -2.972 19.980 4.910 1.00 0.00 C ATOM 504 CD LYS A 33 -2.061 20.892 4.085 1.00 0.00 C ATOM 505 CE LYS A 33 -2.640 22.304 3.989 1.00 0.00 C ATOM 506 NZ LYS A 33 -2.039 23.034 2.850 1.00 0.00 N ATOM 0 H LYS A 33 -1.094 17.655 6.856 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.874 18.366 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.348 18.569 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.655 18.052 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.976 19.984 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.054 20.365 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.071 20.931 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.936 20.478 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.722 22.252 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.451 22.845 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.443 23.991 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.010 23.099 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.241 22.525 1.966 1.00 0.00 H new ATOM 519 N GLY A 34 -2.738 15.482 5.372 1.00 0.00 N ATOM 520 CA GLY A 34 -3.150 14.152 4.956 1.00 0.00 C ATOM 521 C GLY A 34 -3.840 13.409 6.102 1.00 0.00 C ATOM 522 O GLY A 34 -4.826 12.706 5.884 1.00 0.00 O ATOM 0 H GLY A 34 -1.729 15.626 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.828 14.227 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.281 13.586 4.622 1.00 0.00 H new ATOM 526 N LYS A 35 -3.296 13.591 7.295 1.00 0.00 N ATOM 527 CA LYS A 35 -3.848 12.946 8.476 1.00 0.00 C ATOM 528 C LYS A 35 -5.301 13.388 8.661 1.00 0.00 C ATOM 529 O LYS A 35 -6.072 12.726 9.353 1.00 0.00 O ATOM 530 CB LYS A 35 -2.963 13.213 9.695 1.00 0.00 C ATOM 531 CG LYS A 35 -3.762 13.074 10.993 1.00 0.00 C ATOM 532 CD LYS A 35 -2.834 12.834 12.185 1.00 0.00 C ATOM 533 CE LYS A 35 -3.443 13.386 13.475 1.00 0.00 C ATOM 534 NZ LYS A 35 -2.379 13.838 14.398 1.00 0.00 N ATOM 0 H LYS A 35 -2.479 14.176 7.471 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.858 11.863 8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.127 12.514 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.540 14.215 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.350 13.977 11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.467 12.247 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.647 11.766 12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.870 13.309 12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.109 14.217 13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.048 12.618 13.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.810 14.210 15.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.760 13.036 14.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.819 14.586 13.942 1.00 0.00 H new ATOM 547 N ASP A 36 -5.630 14.507 8.031 1.00 0.00 N ATOM 548 CA ASP A 36 -6.977 15.046 8.118 1.00 0.00 C ATOM 549 C ASP A 36 -7.835 14.443 7.006 1.00 0.00 C ATOM 550 O ASP A 36 -9.052 14.627 6.986 1.00 0.00 O ATOM 551 CB ASP A 36 -6.974 16.565 7.942 1.00 0.00 C ATOM 552 CG ASP A 36 -8.351 17.229 8.025 1.00 0.00 C ATOM 553 OD1 ASP A 36 -8.868 17.752 7.027 1.00 0.00 O ATOM 554 OD2 ASP A 36 -8.903 17.194 9.190 1.00 0.00 O ATOM 0 H ASP A 36 -4.987 15.055 7.459 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.377 14.798 9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.330 17.003 8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.530 16.803 6.975 1.00 0.00 H new ATOM 560 N ILE A 37 -7.169 13.733 6.106 1.00 0.00 N ATOM 561 CA ILE A 37 -7.857 13.102 4.993 1.00 0.00 C ATOM 562 C ILE A 37 -7.826 11.583 5.176 1.00 0.00 C ATOM 563 O ILE A 37 -6.772 10.960 5.055 1.00 0.00 O ATOM 564 CB ILE A 37 -7.268 13.573 3.662 1.00 0.00 C ATOM 565 CG1 ILE A 37 -7.142 15.097 3.627 1.00 0.00 C ATOM 566 CG2 ILE A 37 -8.080 13.037 2.482 1.00 0.00 C ATOM 567 CD1 ILE A 37 -6.321 15.553 2.418 1.00 0.00 C ATOM 0 H ILE A 37 -6.161 13.581 6.126 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.905 13.401 4.974 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.261 13.165 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.134 15.546 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.670 15.447 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.640 13.387 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.073 11.947 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.107 13.394 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.247 16.640 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.322 15.121 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.809 15.222 1.501 1.00 0.00 H new ATOM 579 N LYS A 38 -8.996 11.030 5.463 1.00 0.00 N ATOM 580 CA LYS A 38 -9.116 9.596 5.664 1.00 0.00 C ATOM 581 C LYS A 38 -8.583 8.865 4.429 1.00 0.00 C ATOM 582 O LYS A 38 -9.234 8.848 3.386 1.00 0.00 O ATOM 583 CB LYS A 38 -10.556 9.224 6.024 1.00 0.00 C ATOM 584 CG LYS A 38 -10.679 8.885 7.511 1.00 0.00 C ATOM 585 CD LYS A 38 -11.129 10.105 8.317 1.00 0.00 C ATOM 586 CE LYS A 38 -9.927 10.842 8.913 1.00 0.00 C ATOM 587 NZ LYS A 38 -10.305 11.514 10.176 1.00 0.00 N ATOM 0 H LYS A 38 -9.869 11.549 5.561 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.507 9.278 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.221 10.052 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.876 8.371 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.394 8.073 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.719 8.530 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.693 10.782 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.800 9.790 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.116 10.137 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.554 11.578 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.478 12.009 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.064 12.201 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.639 10.805 10.860 1.00 0.00 H new ATOM 600 N GLY A 39 -7.404 8.282 4.589 1.00 0.00 N ATOM 601 CA GLY A 39 -6.777 7.553 3.501 1.00 0.00 C ATOM 602 C GLY A 39 -7.617 6.340 3.097 1.00 0.00 C ATOM 603 O GLY A 39 -7.898 5.472 3.924 1.00 0.00 O ATOM 0 H GLY A 39 -6.867 8.300 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.649 8.213 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.782 7.226 3.803 1.00 0.00 H new ATOM 607 N VAL A 40 -7.994 6.317 1.828 1.00 0.00 N ATOM 608 CA VAL A 40 -8.797 5.223 1.305 1.00 0.00 C ATOM 609 C VAL A 40 -8.036 4.536 0.169 1.00 0.00 C ATOM 610 O VAL A 40 -7.537 5.199 -0.739 1.00 0.00 O ATOM 611 CB VAL A 40 -10.171 5.742 0.876 1.00 0.00 C ATOM 612 CG1 VAL A 40 -10.899 4.712 0.008 1.00 0.00 C ATOM 613 CG2 VAL A 40 -11.015 6.130 2.092 1.00 0.00 C ATOM 0 H VAL A 40 -7.759 7.038 1.146 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.973 4.475 2.078 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.018 6.639 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.873 5.105 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.309 4.506 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.035 3.790 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.986 6.496 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.155 5.258 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.506 6.913 2.653 1.00 0.00 H new ATOM 623 N SER A 41 -7.972 3.215 0.257 1.00 0.00 N ATOM 624 CA SER A 41 -7.281 2.430 -0.751 1.00 0.00 C ATOM 625 C SER A 41 -8.274 1.522 -1.478 1.00 0.00 C ATOM 626 O SER A 41 -9.215 1.016 -0.872 1.00 0.00 O ATOM 627 CB SER A 41 -6.159 1.599 -0.128 1.00 0.00 C ATOM 628 OG SER A 41 -5.603 0.671 -1.056 1.00 0.00 O ATOM 0 H SER A 41 -8.388 2.669 1.012 1.00 0.00 H new ATOM 0 HA SER A 41 -6.832 3.115 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.374 2.263 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.545 1.060 0.737 1.00 0.00 H new ATOM 0 HG SER A 41 -4.889 0.161 -0.620 1.00 0.00 H new ATOM 634 N GLU A 42 -8.029 1.345 -2.769 1.00 0.00 N ATOM 635 CA GLU A 42 -8.889 0.505 -3.585 1.00 0.00 C ATOM 636 C GLU A 42 -8.107 -0.693 -4.123 1.00 0.00 C ATOM 637 O GLU A 42 -6.926 -0.575 -4.445 1.00 0.00 O ATOM 638 CB GLU A 42 -9.514 1.309 -4.727 1.00 0.00 C ATOM 639 CG GLU A 42 -11.034 1.129 -4.756 1.00 0.00 C ATOM 640 CD GLU A 42 -11.515 0.761 -6.161 1.00 0.00 C ATOM 641 OE1 GLU A 42 -10.980 1.276 -7.155 1.00 0.00 O ATOM 642 OE2 GLU A 42 -12.481 -0.093 -6.200 1.00 0.00 O ATOM 0 H GLU A 42 -7.248 1.769 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.700 0.132 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.271 2.365 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.088 0.989 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.325 0.349 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.519 2.049 -4.431 1.00 0.00 H new ATOM 650 N ILE A 43 -8.797 -1.822 -4.204 1.00 0.00 N ATOM 651 CA ILE A 43 -8.181 -3.042 -4.697 1.00 0.00 C ATOM 652 C ILE A 43 -8.960 -3.546 -5.914 1.00 0.00 C ATOM 653 O ILE A 43 -10.161 -3.795 -5.826 1.00 0.00 O ATOM 654 CB ILE A 43 -8.059 -4.074 -3.574 1.00 0.00 C ATOM 655 CG1 ILE A 43 -6.966 -3.676 -2.580 1.00 0.00 C ATOM 656 CG2 ILE A 43 -7.836 -5.477 -4.140 1.00 0.00 C ATOM 657 CD1 ILE A 43 -7.221 -4.300 -1.206 1.00 0.00 C ATOM 0 H ILE A 43 -9.777 -1.917 -3.936 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.162 -2.846 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.001 -4.095 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.994 -3.997 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.930 -2.590 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.753 -6.191 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.678 -5.751 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.918 -5.491 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.430 -4.001 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.183 -3.957 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.233 -5.386 -1.296 1.00 0.00 H new ATOM 669 N VAL A 44 -8.245 -3.682 -7.021 1.00 0.00 N ATOM 670 CA VAL A 44 -8.854 -4.151 -8.253 1.00 0.00 C ATOM 671 C VAL A 44 -8.433 -5.600 -8.506 1.00 0.00 C ATOM 672 O VAL A 44 -7.258 -5.940 -8.375 1.00 0.00 O ATOM 673 CB VAL A 44 -8.492 -3.213 -9.407 1.00 0.00 C ATOM 674 CG1 VAL A 44 -9.210 -3.625 -10.693 1.00 0.00 C ATOM 675 CG2 VAL A 44 -8.802 -1.758 -9.048 1.00 0.00 C ATOM 0 H VAL A 44 -7.249 -3.475 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.941 -4.138 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.419 -3.294 -9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.936 -2.943 -11.497 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.919 -4.640 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.288 -3.586 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.536 -1.112 -9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.866 -1.655 -8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.226 -1.469 -8.169 1.00 0.00 H new ATOM 685 N GLN A 45 -9.414 -6.415 -8.862 1.00 0.00 N ATOM 686 CA GLN A 45 -9.160 -7.819 -9.135 1.00 0.00 C ATOM 687 C GLN A 45 -9.876 -8.250 -10.417 1.00 0.00 C ATOM 688 O GLN A 45 -11.055 -7.952 -10.604 1.00 0.00 O ATOM 689 CB GLN A 45 -9.583 -8.692 -7.952 1.00 0.00 C ATOM 690 CG GLN A 45 -11.107 -8.791 -7.860 1.00 0.00 C ATOM 691 CD GLN A 45 -11.628 -9.980 -8.669 1.00 0.00 C ATOM 692 OE1 GLN A 45 -10.932 -10.562 -9.485 1.00 0.00 O ATOM 693 NE2 GLN A 45 -12.889 -10.306 -8.400 1.00 0.00 N ATOM 0 H GLN A 45 -10.388 -6.130 -8.968 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.088 -7.952 -9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.156 -9.689 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.186 -8.274 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.406 -8.897 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.558 -7.870 -8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.415 -9.777 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.330 -11.085 -8.889 1.00 0.00 H new ATOM 702 N ASN A 46 -9.134 -8.944 -11.267 1.00 0.00 N ATOM 703 CA ASN A 46 -9.683 -9.419 -12.526 1.00 0.00 C ATOM 704 C ASN A 46 -8.903 -10.653 -12.984 1.00 0.00 C ATOM 705 O ASN A 46 -7.983 -10.544 -13.794 1.00 0.00 O ATOM 706 CB ASN A 46 -9.562 -8.351 -13.616 1.00 0.00 C ATOM 707 CG ASN A 46 -10.753 -7.391 -13.576 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.666 -6.274 -13.093 1.00 0.00 O ATOM 709 ND2 ASN A 46 -11.866 -7.887 -14.109 1.00 0.00 N ATOM 0 H ASN A 46 -8.157 -9.189 -11.109 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.735 -9.656 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.635 -7.793 -13.482 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.508 -8.829 -14.594 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.716 -7.324 -14.131 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.869 -8.831 -14.496 1.00 0.00 H new ATOM 716 N GLY A 47 -9.299 -11.797 -12.446 1.00 0.00 N ATOM 717 CA GLY A 47 -8.649 -13.050 -12.790 1.00 0.00 C ATOM 718 C GLY A 47 -7.307 -13.187 -12.069 1.00 0.00 C ATOM 719 O GLY A 47 -7.264 -13.303 -10.845 1.00 0.00 O ATOM 0 H GLY A 47 -10.062 -11.882 -11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.296 -13.885 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.494 -13.099 -13.868 1.00 0.00 H new ATOM 723 N LYS A 48 -6.242 -13.170 -12.858 1.00 0.00 N ATOM 724 CA LYS A 48 -4.902 -13.291 -12.311 1.00 0.00 C ATOM 725 C LYS A 48 -4.255 -11.906 -12.246 1.00 0.00 C ATOM 726 O LYS A 48 -3.310 -11.693 -11.489 1.00 0.00 O ATOM 727 CB LYS A 48 -4.089 -14.314 -13.105 1.00 0.00 C ATOM 728 CG LYS A 48 -4.673 -15.719 -12.952 1.00 0.00 C ATOM 729 CD LYS A 48 -3.844 -16.746 -13.725 1.00 0.00 C ATOM 730 CE LYS A 48 -4.676 -17.987 -14.054 1.00 0.00 C ATOM 731 NZ LYS A 48 -4.102 -19.185 -13.400 1.00 0.00 N ATOM 0 H LYS A 48 -6.281 -13.074 -13.873 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.940 -13.673 -11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.077 -14.035 -14.159 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.055 -14.307 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.703 -15.991 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.701 -15.730 -13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.472 -16.299 -14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.973 -17.033 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.704 -17.841 -13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.708 -18.135 -15.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.679 -20.018 -13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.129 -19.332 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.094 -19.048 -12.369 1.00 0.00 H new ATOM 744 N HIS A 49 -4.791 -11.000 -13.051 1.00 0.00 N ATOM 745 CA HIS A 49 -4.277 -9.641 -13.095 1.00 0.00 C ATOM 746 C HIS A 49 -5.114 -8.747 -12.177 1.00 0.00 C ATOM 747 O HIS A 49 -6.342 -8.760 -12.243 1.00 0.00 O ATOM 748 CB HIS A 49 -4.223 -9.128 -14.535 1.00 0.00 C ATOM 749 CG HIS A 49 -5.559 -8.687 -15.081 1.00 0.00 C ATOM 750 ND1 HIS A 49 -5.949 -7.360 -15.127 1.00 0.00 N ATOM 751 CD2 HIS A 49 -6.591 -9.410 -15.605 1.00 0.00 C ATOM 752 CE1 HIS A 49 -7.163 -7.298 -15.655 1.00 0.00 C ATOM 753 NE2 HIS A 49 -7.559 -8.570 -15.950 1.00 0.00 N ATOM 0 H HIS A 49 -5.575 -11.180 -13.678 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.252 -9.623 -12.726 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.527 -8.290 -14.585 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.822 -9.914 -15.175 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.616 -10.484 -15.720 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.738 -6.399 -15.822 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.452 -8.832 -16.367 1.00 0.00 H new ATOM 761 N PHE A 50 -4.416 -7.990 -11.344 1.00 0.00 N ATOM 762 CA PHE A 50 -5.078 -7.090 -10.415 1.00 0.00 C ATOM 763 C PHE A 50 -4.581 -5.655 -10.593 1.00 0.00 C ATOM 764 O PHE A 50 -3.425 -5.434 -10.952 1.00 0.00 O ATOM 765 CB PHE A 50 -4.729 -7.568 -9.004 1.00 0.00 C ATOM 766 CG PHE A 50 -3.263 -7.356 -8.621 1.00 0.00 C ATOM 767 CD1 PHE A 50 -2.338 -8.307 -8.919 1.00 0.00 C ATOM 768 CD2 PHE A 50 -2.885 -6.216 -7.981 1.00 0.00 C ATOM 769 CE1 PHE A 50 -0.977 -8.111 -8.563 1.00 0.00 C ATOM 770 CE2 PHE A 50 -1.524 -6.020 -7.625 1.00 0.00 C ATOM 771 CZ PHE A 50 -0.599 -6.971 -7.923 1.00 0.00 C ATOM 0 H PHE A 50 -3.397 -7.981 -11.293 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.153 -7.097 -10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.361 -7.044 -8.287 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.966 -8.629 -8.922 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.638 -9.212 -9.427 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.620 -5.461 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.242 -8.866 -8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.224 -5.115 -7.117 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.436 -6.822 -7.652 1.00 0.00 H new ATOM 781 N LYS A 51 -5.478 -4.715 -10.333 1.00 0.00 N ATOM 782 CA LYS A 51 -5.144 -3.306 -10.460 1.00 0.00 C ATOM 783 C LYS A 51 -5.107 -2.669 -9.069 1.00 0.00 C ATOM 784 O LYS A 51 -5.770 -3.142 -8.148 1.00 0.00 O ATOM 785 CB LYS A 51 -6.104 -2.614 -11.429 1.00 0.00 C ATOM 786 CG LYS A 51 -5.430 -2.358 -12.779 1.00 0.00 C ATOM 787 CD LYS A 51 -6.457 -1.935 -13.832 1.00 0.00 C ATOM 788 CE LYS A 51 -7.268 -3.137 -14.318 1.00 0.00 C ATOM 789 NZ LYS A 51 -6.705 -3.666 -15.580 1.00 0.00 N ATOM 0 H LYS A 51 -6.436 -4.901 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.151 -3.186 -10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.990 -3.232 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.440 -1.669 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.674 -1.581 -12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.915 -3.260 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.127 -1.185 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.948 -1.470 -14.676 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.265 -3.917 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.307 -2.844 -14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.388 -4.316 -16.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.509 -2.878 -16.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.821 -4.176 -15.379 1.00 0.00 H new ATOM 802 N PHE A 52 -4.325 -1.604 -8.963 1.00 0.00 N ATOM 803 CA PHE A 52 -4.193 -0.897 -7.700 1.00 0.00 C ATOM 804 C PHE A 52 -4.226 0.618 -7.914 1.00 0.00 C ATOM 805 O PHE A 52 -3.950 1.099 -9.013 1.00 0.00 O ATOM 806 CB PHE A 52 -2.837 -1.287 -7.108 1.00 0.00 C ATOM 807 CG PHE A 52 -1.641 -0.854 -7.957 1.00 0.00 C ATOM 808 CD1 PHE A 52 -1.238 0.445 -7.953 1.00 0.00 C ATOM 809 CD2 PHE A 52 -0.978 -1.768 -8.715 1.00 0.00 C ATOM 810 CE1 PHE A 52 -0.127 0.848 -8.741 1.00 0.00 C ATOM 811 CE2 PHE A 52 0.133 -1.365 -9.503 1.00 0.00 C ATOM 812 CZ PHE A 52 0.535 -0.066 -9.499 1.00 0.00 C ATOM 0 H PHE A 52 -3.777 -1.214 -9.730 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.017 -1.162 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.744 -0.845 -6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.806 -2.369 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.763 1.171 -7.350 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.296 -2.800 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.192 1.880 -8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.659 -2.091 -10.106 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.380 0.240 -10.098 1.00 0.00 H new ATOM 822 N THR A 53 -4.566 1.327 -6.849 1.00 0.00 N ATOM 823 CA THR A 53 -4.639 2.777 -6.906 1.00 0.00 C ATOM 824 C THR A 53 -3.972 3.394 -5.675 1.00 0.00 C ATOM 825 O THR A 53 -4.072 2.853 -4.574 1.00 0.00 O ATOM 826 CB THR A 53 -6.108 3.171 -7.063 1.00 0.00 C ATOM 827 OG1 THR A 53 -6.451 2.720 -8.371 1.00 0.00 O ATOM 828 CG2 THR A 53 -6.304 4.687 -7.129 1.00 0.00 C ATOM 0 H THR A 53 -4.794 0.924 -5.940 1.00 0.00 H new ATOM 0 HA THR A 53 -4.090 3.167 -7.763 1.00 0.00 H new ATOM 0 HB THR A 53 -6.683 2.766 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.389 2.934 -8.555 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.365 4.912 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.931 5.142 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.756 5.088 -7.982 1.00 0.00 H new ATOM 836 N ILE A 54 -3.308 4.517 -5.900 1.00 0.00 N ATOM 837 CA ILE A 54 -2.626 5.213 -4.823 1.00 0.00 C ATOM 838 C ILE A 54 -3.397 6.489 -4.477 1.00 0.00 C ATOM 839 O ILE A 54 -3.501 7.399 -5.298 1.00 0.00 O ATOM 840 CB ILE A 54 -1.161 5.462 -5.188 1.00 0.00 C ATOM 841 CG1 ILE A 54 -0.407 4.140 -5.358 1.00 0.00 C ATOM 842 CG2 ILE A 54 -0.488 6.378 -4.164 1.00 0.00 C ATOM 843 CD1 ILE A 54 -0.226 3.798 -6.838 1.00 0.00 C ATOM 0 H ILE A 54 -3.228 4.963 -6.814 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.607 4.596 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.131 5.977 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.568 4.209 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.954 3.339 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.552 6.538 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.008 7.336 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.528 5.914 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.312 2.855 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.203 3.706 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.342 4.589 -7.327 1.00 0.00 H new ATOM 855 N THR A 55 -3.919 6.514 -3.258 1.00 0.00 N ATOM 856 CA THR A 55 -4.677 7.662 -2.793 1.00 0.00 C ATOM 857 C THR A 55 -3.866 8.459 -1.770 1.00 0.00 C ATOM 858 O THR A 55 -4.228 8.519 -0.596 1.00 0.00 O ATOM 859 CB THR A 55 -6.014 7.157 -2.248 1.00 0.00 C ATOM 860 OG1 THR A 55 -6.677 6.626 -3.392 1.00 0.00 O ATOM 861 CG2 THR A 55 -6.925 8.295 -1.783 1.00 0.00 C ATOM 0 H THR A 55 -3.831 5.757 -2.580 1.00 0.00 H new ATOM 0 HA THR A 55 -4.883 8.356 -3.608 1.00 0.00 H new ATOM 0 HB THR A 55 -5.833 6.476 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.553 6.275 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.860 7.881 -1.406 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.430 8.856 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.134 8.959 -2.621 1.00 0.00 H new ATOM 869 N ALA A 56 -2.782 9.050 -2.252 1.00 0.00 N ATOM 870 CA ALA A 56 -1.916 9.841 -1.394 1.00 0.00 C ATOM 871 C ALA A 56 -2.085 11.324 -1.731 1.00 0.00 C ATOM 872 O ALA A 56 -2.141 11.695 -2.903 1.00 0.00 O ATOM 873 CB ALA A 56 -0.470 9.367 -1.552 1.00 0.00 C ATOM 0 H ALA A 56 -2.484 8.997 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.190 9.709 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.180 9.960 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.399 8.316 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.159 9.486 -2.590 1.00 0.00 H new ATOM 879 N GLY A 57 -2.162 12.131 -0.684 1.00 0.00 N ATOM 880 CA GLY A 57 -2.323 13.565 -0.856 1.00 0.00 C ATOM 881 C GLY A 57 -3.352 13.875 -1.945 1.00 0.00 C ATOM 882 O GLY A 57 -4.556 13.845 -1.695 1.00 0.00 O ATOM 0 H GLY A 57 -2.116 11.820 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.638 14.015 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.365 14.013 -1.118 1.00 0.00 H new ATOM 886 N SER A 58 -2.839 14.166 -3.133 1.00 0.00 N ATOM 887 CA SER A 58 -3.697 14.480 -4.261 1.00 0.00 C ATOM 888 C SER A 58 -3.042 14.016 -5.563 1.00 0.00 C ATOM 889 O SER A 58 -2.888 14.799 -6.499 1.00 0.00 O ATOM 890 CB SER A 58 -3.998 15.979 -4.324 1.00 0.00 C ATOM 891 OG SER A 58 -2.811 16.758 -4.444 1.00 0.00 O ATOM 0 H SER A 58 -1.840 14.190 -3.337 1.00 0.00 H new ATOM 0 HA SER A 58 -4.641 13.952 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.652 16.182 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.539 16.278 -3.426 1.00 0.00 H new ATOM 0 HG SER A 58 -2.327 16.494 -5.254 1.00 0.00 H new ATOM 897 N LYS A 59 -2.673 12.744 -5.581 1.00 0.00 N ATOM 898 CA LYS A 59 -2.036 12.165 -6.753 1.00 0.00 C ATOM 899 C LYS A 59 -2.421 10.688 -6.860 1.00 0.00 C ATOM 900 O LYS A 59 -1.980 9.869 -6.056 1.00 0.00 O ATOM 901 CB LYS A 59 -0.525 12.407 -6.716 1.00 0.00 C ATOM 902 CG LYS A 59 0.165 11.414 -5.780 1.00 0.00 C ATOM 903 CD LYS A 59 1.450 12.009 -5.200 1.00 0.00 C ATOM 904 CE LYS A 59 2.636 11.772 -6.138 1.00 0.00 C ATOM 905 NZ LYS A 59 2.775 12.894 -7.092 1.00 0.00 N ATOM 0 H LYS A 59 -2.803 12.097 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.391 12.653 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.113 12.312 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.324 13.426 -6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.512 11.142 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.397 10.498 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.319 13.079 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.656 11.562 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.552 11.666 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.495 10.839 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.659 12.786 -7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.969 12.893 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.795 13.793 -6.570 1.00 0.00 H new ATOM 918 N VAL A 60 -3.239 10.394 -7.860 1.00 0.00 N ATOM 919 CA VAL A 60 -3.688 9.031 -8.083 1.00 0.00 C ATOM 920 C VAL A 60 -3.030 8.482 -9.350 1.00 0.00 C ATOM 921 O VAL A 60 -2.771 9.229 -10.292 1.00 0.00 O ATOM 922 CB VAL A 60 -5.216 8.985 -8.134 1.00 0.00 C ATOM 923 CG1 VAL A 60 -5.780 8.146 -6.986 1.00 0.00 C ATOM 924 CG2 VAL A 60 -5.808 10.396 -8.126 1.00 0.00 C ATOM 0 H VAL A 60 -3.602 11.077 -8.525 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.385 8.389 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.505 8.506 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.868 8.131 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.398 7.128 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.476 8.581 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.896 10.334 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.504 10.913 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.446 10.947 -8.994 1.00 0.00 H new ATOM 934 N ILE A 61 -2.778 7.182 -9.333 1.00 0.00 N ATOM 935 CA ILE A 61 -2.156 6.525 -10.469 1.00 0.00 C ATOM 936 C ILE A 61 -2.889 5.214 -10.760 1.00 0.00 C ATOM 937 O ILE A 61 -3.143 4.425 -9.851 1.00 0.00 O ATOM 938 CB ILE A 61 -0.654 6.349 -10.230 1.00 0.00 C ATOM 939 CG1 ILE A 61 0.044 7.705 -10.111 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.025 5.475 -11.316 1.00 0.00 C ATOM 941 CD1 ILE A 61 1.119 7.675 -9.023 1.00 0.00 C ATOM 0 H ILE A 61 -2.994 6.565 -8.550 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.244 7.145 -11.361 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.517 5.831 -9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.496 7.970 -11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.690 8.477 -9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.042 5.366 -11.123 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.497 4.492 -11.311 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.171 5.943 -12.290 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.600 8.651 -8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.660 7.433 -8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.865 6.919 -9.269 1.00 0.00 H new ATOM 953 N GLN A 62 -3.208 5.021 -12.032 1.00 0.00 N ATOM 954 CA GLN A 62 -3.908 3.820 -12.454 1.00 0.00 C ATOM 955 C GLN A 62 -2.974 2.920 -13.266 1.00 0.00 C ATOM 956 O GLN A 62 -2.486 3.318 -14.323 1.00 0.00 O ATOM 957 CB GLN A 62 -5.166 4.169 -13.253 1.00 0.00 C ATOM 958 CG GLN A 62 -6.250 3.109 -13.058 1.00 0.00 C ATOM 959 CD GLN A 62 -6.879 2.715 -14.396 1.00 0.00 C ATOM 960 OE1 GLN A 62 -6.378 1.874 -15.123 1.00 0.00 O ATOM 961 NE2 GLN A 62 -8.002 3.368 -14.679 1.00 0.00 N ATOM 0 H GLN A 62 -2.994 5.677 -12.784 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.224 3.275 -11.564 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.543 5.142 -12.938 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.918 4.250 -14.311 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.821 2.228 -12.581 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.021 3.491 -12.388 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.368 4.061 -14.026 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.498 3.176 -15.549 1.00 0.00 H new ATOM 970 N ASN A 63 -2.754 1.724 -12.742 1.00 0.00 N ATOM 971 CA ASN A 63 -1.887 0.764 -13.405 1.00 0.00 C ATOM 972 C ASN A 63 -2.254 -0.650 -12.949 1.00 0.00 C ATOM 973 O ASN A 63 -2.711 -0.843 -11.823 1.00 0.00 O ATOM 974 CB ASN A 63 -0.420 1.009 -13.049 1.00 0.00 C ATOM 975 CG ASN A 63 0.375 1.458 -14.278 1.00 0.00 C ATOM 976 OD1 ASN A 63 0.574 0.716 -15.226 1.00 0.00 O ATOM 977 ND2 ASN A 63 0.816 2.711 -14.208 1.00 0.00 N ATOM 0 H ASN A 63 -3.161 1.397 -11.866 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.021 0.877 -14.481 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.353 1.769 -12.271 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.017 0.097 -12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.357 3.105 -14.978 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.613 3.278 -13.384 1.00 0.00 H new ATOM 984 N GLU A 64 -2.041 -1.602 -13.846 1.00 0.00 N ATOM 985 CA GLU A 64 -2.344 -2.991 -13.549 1.00 0.00 C ATOM 986 C GLU A 64 -1.054 -3.769 -13.280 1.00 0.00 C ATOM 987 O GLU A 64 0.003 -3.428 -13.808 1.00 0.00 O ATOM 988 CB GLU A 64 -3.145 -3.631 -14.684 1.00 0.00 C ATOM 989 CG GLU A 64 -2.299 -3.751 -15.953 1.00 0.00 C ATOM 990 CD GLU A 64 -2.490 -2.531 -16.856 1.00 0.00 C ATOM 991 OE1 GLU A 64 -3.546 -2.389 -17.492 1.00 0.00 O ATOM 992 OE2 GLU A 64 -1.495 -1.710 -16.882 1.00 0.00 O ATOM 0 H GLU A 64 -1.662 -1.438 -14.779 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.960 -3.025 -12.650 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.490 -4.619 -14.378 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.033 -3.033 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.247 -3.849 -15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.575 -4.656 -16.495 1.00 0.00 H new ATOM 1000 N PHE A 65 -1.184 -4.802 -12.460 1.00 0.00 N ATOM 1001 CA PHE A 65 -0.042 -5.632 -12.115 1.00 0.00 C ATOM 1002 C PHE A 65 -0.386 -7.117 -12.244 1.00 0.00 C ATOM 1003 O PHE A 65 -1.528 -7.515 -12.026 1.00 0.00 O ATOM 1004 CB PHE A 65 0.309 -5.326 -10.657 1.00 0.00 C ATOM 1005 CG PHE A 65 1.751 -5.671 -10.279 1.00 0.00 C ATOM 1006 CD1 PHE A 65 2.140 -6.972 -10.199 1.00 0.00 C ATOM 1007 CD2 PHE A 65 2.643 -4.677 -10.024 1.00 0.00 C ATOM 1008 CE1 PHE A 65 3.479 -7.291 -9.848 1.00 0.00 C ATOM 1009 CE2 PHE A 65 3.981 -4.998 -9.672 1.00 0.00 C ATOM 1010 CZ PHE A 65 4.371 -6.298 -9.592 1.00 0.00 C ATOM 0 H PHE A 65 -2.063 -5.083 -12.025 1.00 0.00 H new ATOM 0 HA PHE A 65 0.790 -5.419 -12.787 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.138 -4.266 -10.467 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.369 -5.879 -10.007 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.432 -7.762 -10.402 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.334 -3.644 -10.089 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.789 -8.324 -9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.689 -4.209 -9.468 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.389 -6.541 -9.325 1.00 0.00 H new ATOM 1020 N THR A 66 0.626 -7.897 -12.597 1.00 0.00 N ATOM 1021 CA THR A 66 0.446 -9.329 -12.756 1.00 0.00 C ATOM 1022 C THR A 66 1.337 -10.093 -11.773 1.00 0.00 C ATOM 1023 O THR A 66 2.374 -9.585 -11.348 1.00 0.00 O ATOM 1024 CB THR A 66 0.718 -9.680 -14.221 1.00 0.00 C ATOM 1025 OG1 THR A 66 -0.202 -8.870 -14.948 1.00 0.00 O ATOM 1026 CG2 THR A 66 0.307 -11.112 -14.567 1.00 0.00 C ATOM 0 H THR A 66 1.573 -7.563 -12.777 1.00 0.00 H new ATOM 0 HA THR A 66 -0.575 -9.627 -12.519 1.00 0.00 H new ATOM 0 HB THR A 66 1.778 -9.545 -14.435 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.093 -9.033 -15.908 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.522 -11.308 -15.617 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.866 -11.811 -13.946 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.760 -11.238 -14.385 1.00 0.00 H new ATOM 1034 N VAL A 67 0.901 -11.299 -11.442 1.00 0.00 N ATOM 1035 CA VAL A 67 1.646 -12.136 -10.518 1.00 0.00 C ATOM 1036 C VAL A 67 2.876 -12.703 -11.229 1.00 0.00 C ATOM 1037 O VAL A 67 2.913 -12.771 -12.456 1.00 0.00 O ATOM 1038 CB VAL A 67 0.733 -13.223 -9.945 1.00 0.00 C ATOM 1039 CG1 VAL A 67 1.276 -13.750 -8.615 1.00 0.00 C ATOM 1040 CG2 VAL A 67 -0.700 -12.709 -9.786 1.00 0.00 C ATOM 0 H VAL A 67 0.041 -11.717 -11.797 1.00 0.00 H new ATOM 0 HA VAL A 67 2.002 -11.548 -9.672 1.00 0.00 H new ATOM 0 HB VAL A 67 0.715 -14.052 -10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.609 -14.521 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.269 -14.173 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.338 -12.932 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.327 -13.501 -9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.707 -11.855 -9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.087 -12.405 -10.758 1.00 0.00 H new ATOM 1050 N GLY A 68 3.855 -13.095 -10.426 1.00 0.00 N ATOM 1051 CA GLY A 68 5.085 -13.653 -10.962 1.00 0.00 C ATOM 1052 C GLY A 68 5.655 -12.762 -12.067 1.00 0.00 C ATOM 1053 O GLY A 68 6.428 -13.224 -12.904 1.00 0.00 O ATOM 0 H GLY A 68 3.821 -13.037 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.818 -13.761 -10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.894 -14.651 -11.357 1.00 0.00 H new ATOM 1057 N GLU A 69 5.251 -11.500 -12.034 1.00 0.00 N ATOM 1058 CA GLU A 69 5.712 -10.540 -13.022 1.00 0.00 C ATOM 1059 C GLU A 69 6.366 -9.341 -12.332 1.00 0.00 C ATOM 1060 O GLU A 69 6.176 -9.130 -11.135 1.00 0.00 O ATOM 1061 CB GLU A 69 4.565 -10.092 -13.929 1.00 0.00 C ATOM 1062 CG GLU A 69 4.452 -10.996 -15.158 1.00 0.00 C ATOM 1063 CD GLU A 69 5.105 -10.344 -16.378 1.00 0.00 C ATOM 1064 OE1 GLU A 69 5.993 -10.946 -17.002 1.00 0.00 O ATOM 1065 OE2 GLU A 69 4.659 -9.171 -16.674 1.00 0.00 O ATOM 0 H GLU A 69 4.609 -11.120 -11.338 1.00 0.00 H new ATOM 0 HA GLU A 69 6.459 -11.025 -13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.628 -10.111 -13.372 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.728 -9.062 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.929 -11.955 -14.954 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.402 -11.201 -15.368 1.00 0.00 H new ATOM 1073 N GLU A 70 7.122 -8.587 -13.116 1.00 0.00 N ATOM 1074 CA GLU A 70 7.805 -7.415 -12.596 1.00 0.00 C ATOM 1075 C GLU A 70 7.301 -6.153 -13.297 1.00 0.00 C ATOM 1076 O GLU A 70 7.510 -5.979 -14.497 1.00 0.00 O ATOM 1077 CB GLU A 70 9.322 -7.555 -12.741 1.00 0.00 C ATOM 1078 CG GLU A 70 10.010 -6.192 -12.642 1.00 0.00 C ATOM 1079 CD GLU A 70 11.425 -6.331 -12.079 1.00 0.00 C ATOM 1080 OE1 GLU A 70 11.593 -6.712 -10.910 1.00 0.00 O ATOM 1081 OE2 GLU A 70 12.371 -6.029 -12.902 1.00 0.00 O ATOM 0 H GLU A 70 7.277 -8.765 -14.108 1.00 0.00 H new ATOM 0 HA GLU A 70 7.581 -7.330 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.706 -8.217 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.558 -8.017 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.051 -5.729 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.424 -5.531 -12.004 1.00 0.00 H new ATOM 1089 N CYS A 71 6.646 -5.303 -12.519 1.00 0.00 N ATOM 1090 CA CYS A 71 6.110 -4.061 -13.050 1.00 0.00 C ATOM 1091 C CYS A 71 6.860 -2.898 -12.399 1.00 0.00 C ATOM 1092 O CYS A 71 7.477 -3.062 -11.348 1.00 0.00 O ATOM 1093 CB CYS A 71 4.599 -3.959 -12.835 1.00 0.00 C ATOM 1094 SG CYS A 71 3.748 -5.315 -13.722 1.00 0.00 S ATOM 0 H CYS A 71 6.474 -5.450 -11.524 1.00 0.00 H new ATOM 0 HA CYS A 71 6.259 -4.029 -14.129 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.371 -4.010 -11.770 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.237 -2.995 -13.193 1.00 0.00 H new ATOM 0 HG CYS A 71 2.562 -4.921 -14.082 1.00 0.00 H new ATOM 1100 N GLU A 72 6.781 -1.746 -13.050 1.00 0.00 N ATOM 1101 CA GLU A 72 7.444 -0.555 -12.547 1.00 0.00 C ATOM 1102 C GLU A 72 6.420 0.551 -12.284 1.00 0.00 C ATOM 1103 O GLU A 72 5.532 0.788 -13.102 1.00 0.00 O ATOM 1104 CB GLU A 72 8.528 -0.079 -13.517 1.00 0.00 C ATOM 1105 CG GLU A 72 8.048 -0.180 -14.966 1.00 0.00 C ATOM 1106 CD GLU A 72 8.980 0.587 -15.907 1.00 0.00 C ATOM 1107 OE1 GLU A 72 9.821 -0.026 -16.580 1.00 0.00 O ATOM 1108 OE2 GLU A 72 8.807 1.865 -15.923 1.00 0.00 O ATOM 0 H GLU A 72 6.268 -1.613 -13.921 1.00 0.00 H new ATOM 0 HA GLU A 72 7.931 -0.805 -11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.797 0.953 -13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.428 -0.679 -13.385 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.004 -1.227 -15.266 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.036 0.218 -15.046 1.00 0.00 H new ATOM 1116 N LEU A 73 6.579 1.200 -11.140 1.00 0.00 N ATOM 1117 CA LEU A 73 5.679 2.276 -10.758 1.00 0.00 C ATOM 1118 C LEU A 73 6.494 3.435 -10.181 1.00 0.00 C ATOM 1119 O LEU A 73 7.420 3.220 -9.401 1.00 0.00 O ATOM 1120 CB LEU A 73 4.592 1.757 -9.814 1.00 0.00 C ATOM 1121 CG LEU A 73 5.027 1.496 -8.371 1.00 0.00 C ATOM 1122 CD1 LEU A 73 4.277 2.409 -7.399 1.00 0.00 C ATOM 1123 CD2 LEU A 73 4.867 0.018 -8.009 1.00 0.00 C ATOM 0 H LEU A 73 7.317 1.002 -10.465 1.00 0.00 H new ATOM 0 HA LEU A 73 5.152 2.660 -11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.775 2.478 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.193 0.830 -10.226 1.00 0.00 H new ATOM 0 HG LEU A 73 6.087 1.735 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.605 2.203 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.485 3.451 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.206 2.225 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.183 -0.140 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.822 -0.272 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.482 -0.588 -8.674 1.00 0.00 H new ATOM 1135 N GLU A 74 6.118 4.640 -10.586 1.00 0.00 N ATOM 1136 CA GLU A 74 6.802 5.833 -10.118 1.00 0.00 C ATOM 1137 C GLU A 74 6.419 6.129 -8.666 1.00 0.00 C ATOM 1138 O GLU A 74 5.274 6.475 -8.381 1.00 0.00 O ATOM 1139 CB GLU A 74 6.496 7.030 -11.021 1.00 0.00 C ATOM 1140 CG GLU A 74 5.040 7.475 -10.867 1.00 0.00 C ATOM 1141 CD GLU A 74 4.580 8.277 -12.086 1.00 0.00 C ATOM 1142 OE1 GLU A 74 4.817 9.493 -12.153 1.00 0.00 O ATOM 1143 OE2 GLU A 74 3.958 7.594 -12.985 1.00 0.00 O ATOM 0 H GLU A 74 5.349 4.815 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 74 7.876 5.653 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.161 7.857 -10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.691 6.765 -12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.401 6.602 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.934 8.081 -9.967 1.00 0.00 H new ATOM 1151 N THR A 75 7.401 5.985 -7.788 1.00 0.00 N ATOM 1152 CA THR A 75 7.181 6.233 -6.373 1.00 0.00 C ATOM 1153 C THR A 75 6.743 7.681 -6.148 1.00 0.00 C ATOM 1154 O THR A 75 6.836 8.510 -7.051 1.00 0.00 O ATOM 1155 CB THR A 75 8.463 5.862 -5.625 1.00 0.00 C ATOM 1156 OG1 THR A 75 8.800 4.573 -6.130 1.00 0.00 O ATOM 1157 CG2 THR A 75 8.220 5.624 -4.132 1.00 0.00 C ATOM 0 H THR A 75 8.350 5.700 -8.029 1.00 0.00 H new ATOM 0 HA THR A 75 6.370 5.617 -5.984 1.00 0.00 H new ATOM 0 HB THR A 75 9.200 6.655 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.622 4.257 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.161 5.364 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.817 6.530 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.508 4.808 -4.005 1.00 0.00 H new ATOM 1165 N MET A 76 6.274 7.941 -4.936 1.00 0.00 N ATOM 1166 CA MET A 76 5.821 9.275 -4.580 1.00 0.00 C ATOM 1167 C MET A 76 6.924 10.309 -4.810 1.00 0.00 C ATOM 1168 O MET A 76 6.654 11.507 -4.879 1.00 0.00 O ATOM 1169 CB MET A 76 5.400 9.296 -3.109 1.00 0.00 C ATOM 1170 CG MET A 76 3.910 9.611 -2.969 1.00 0.00 C ATOM 1171 SD MET A 76 2.974 8.094 -2.862 1.00 0.00 S ATOM 1172 CE MET A 76 3.032 7.817 -1.099 1.00 0.00 C ATOM 0 H MET A 76 6.198 7.251 -4.189 1.00 0.00 H new ATOM 0 HA MET A 76 4.972 9.531 -5.214 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.616 8.330 -2.652 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.985 10.041 -2.570 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.740 10.217 -2.079 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.572 10.197 -3.823 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.491 6.902 -0.856 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.070 7.720 -0.780 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.571 8.659 -0.583 1.00 0.00 H new ATOM 1182 N THR A 77 8.147 9.808 -4.923 1.00 0.00 N ATOM 1183 CA THR A 77 9.292 10.673 -5.145 1.00 0.00 C ATOM 1184 C THR A 77 9.556 10.835 -6.643 1.00 0.00 C ATOM 1185 O THR A 77 10.539 11.462 -7.039 1.00 0.00 O ATOM 1186 CB THR A 77 10.481 10.089 -4.378 1.00 0.00 C ATOM 1187 OG1 THR A 77 9.944 9.772 -3.096 1.00 0.00 O ATOM 1188 CG2 THR A 77 11.557 11.136 -4.082 1.00 0.00 C ATOM 0 H THR A 77 8.368 8.814 -4.865 1.00 0.00 H new ATOM 0 HA THR A 77 9.106 11.679 -4.769 1.00 0.00 H new ATOM 0 HB THR A 77 10.918 9.271 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.647 9.386 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.378 10.670 -3.537 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.932 11.548 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.129 11.937 -3.479 1.00 0.00 H new ATOM 1196 N GLY A 78 8.663 10.261 -7.434 1.00 0.00 N ATOM 1197 CA GLY A 78 8.788 10.333 -8.880 1.00 0.00 C ATOM 1198 C GLY A 78 9.593 9.150 -9.422 1.00 0.00 C ATOM 1199 O GLY A 78 9.221 8.549 -10.428 1.00 0.00 O ATOM 0 H GLY A 78 7.849 9.744 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.797 10.341 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.275 11.267 -9.160 1.00 0.00 H new ATOM 1203 N GLU A 79 10.683 8.850 -8.729 1.00 0.00 N ATOM 1204 CA GLU A 79 11.544 7.751 -9.128 1.00 0.00 C ATOM 1205 C GLU A 79 10.703 6.537 -9.531 1.00 0.00 C ATOM 1206 O GLU A 79 9.607 6.336 -9.010 1.00 0.00 O ATOM 1207 CB GLU A 79 12.525 7.390 -8.011 1.00 0.00 C ATOM 1208 CG GLU A 79 11.782 7.038 -6.720 1.00 0.00 C ATOM 1209 CD GLU A 79 12.760 6.622 -5.619 1.00 0.00 C ATOM 1210 OE1 GLU A 79 12.863 7.306 -4.591 1.00 0.00 O ATOM 1211 OE2 GLU A 79 13.427 5.544 -5.861 1.00 0.00 O ATOM 0 H GLU A 79 10.989 9.350 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 79 12.128 8.068 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.141 6.546 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.199 8.227 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.198 7.896 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.078 6.228 -6.911 1.00 0.00 H new ATOM 1219 N LYS A 80 11.249 5.762 -10.456 1.00 0.00 N ATOM 1220 CA LYS A 80 10.562 4.574 -10.937 1.00 0.00 C ATOM 1221 C LYS A 80 11.283 3.328 -10.416 1.00 0.00 C ATOM 1222 O LYS A 80 12.481 3.161 -10.641 1.00 0.00 O ATOM 1223 CB LYS A 80 10.424 4.614 -12.459 1.00 0.00 C ATOM 1224 CG LYS A 80 11.796 4.573 -13.135 1.00 0.00 C ATOM 1225 CD LYS A 80 11.913 5.661 -14.205 1.00 0.00 C ATOM 1226 CE LYS A 80 13.376 6.027 -14.457 1.00 0.00 C ATOM 1227 NZ LYS A 80 13.553 6.542 -15.833 1.00 0.00 N ATOM 0 H LYS A 80 12.158 5.933 -10.885 1.00 0.00 H new ATOM 0 HA LYS A 80 9.544 4.539 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.823 3.769 -12.796 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.895 5.520 -12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.578 4.708 -12.387 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.953 3.594 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.456 5.315 -15.132 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.362 6.547 -13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.698 6.779 -13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.007 5.151 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.552 6.786 -15.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.265 5.813 -16.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.966 7.390 -15.964 1.00 0.00 H new ATOM 1240 N VAL A 81 10.523 2.486 -9.732 1.00 0.00 N ATOM 1241 CA VAL A 81 11.074 1.262 -9.178 1.00 0.00 C ATOM 1242 C VAL A 81 10.319 0.062 -9.753 1.00 0.00 C ATOM 1243 O VAL A 81 9.149 0.176 -10.114 1.00 0.00 O ATOM 1244 CB VAL A 81 11.036 1.315 -7.649 1.00 0.00 C ATOM 1245 CG1 VAL A 81 12.005 2.371 -7.113 1.00 0.00 C ATOM 1246 CG2 VAL A 81 9.615 1.567 -7.145 1.00 0.00 C ATOM 0 H VAL A 81 9.530 2.628 -9.549 1.00 0.00 H new ATOM 0 HA VAL A 81 12.121 1.153 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 81 11.357 0.344 -7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.958 2.388 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.019 2.128 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.728 3.350 -7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.616 1.600 -6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.253 2.518 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.961 0.763 -7.483 1.00 0.00 H new ATOM 1256 N LYS A 82 11.019 -1.061 -9.821 1.00 0.00 N ATOM 1257 CA LYS A 82 10.430 -2.280 -10.346 1.00 0.00 C ATOM 1258 C LYS A 82 9.987 -3.169 -9.183 1.00 0.00 C ATOM 1259 O LYS A 82 10.819 -3.680 -8.435 1.00 0.00 O ATOM 1260 CB LYS A 82 11.394 -2.968 -11.314 1.00 0.00 C ATOM 1261 CG LYS A 82 11.711 -2.065 -12.508 1.00 0.00 C ATOM 1262 CD LYS A 82 11.282 -2.721 -13.821 1.00 0.00 C ATOM 1263 CE LYS A 82 12.373 -2.582 -14.885 1.00 0.00 C ATOM 1264 NZ LYS A 82 12.068 -1.456 -15.795 1.00 0.00 N ATOM 0 H LYS A 82 11.990 -1.152 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 82 9.539 -2.051 -10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.316 -3.225 -10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.956 -3.902 -11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.200 -1.109 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.780 -1.854 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.067 -3.776 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.360 -2.261 -14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.338 -2.419 -14.406 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.453 -3.507 -15.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.400 -1.684 -16.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.041 -1.294 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.548 -0.597 -15.458 1.00 0.00 H new ATOM 1277 N THR A 83 8.676 -3.328 -9.066 1.00 0.00 N ATOM 1278 CA THR A 83 8.113 -4.147 -8.006 1.00 0.00 C ATOM 1279 C THR A 83 7.713 -5.521 -8.549 1.00 0.00 C ATOM 1280 O THR A 83 7.368 -5.652 -9.723 1.00 0.00 O ATOM 1281 CB THR A 83 6.948 -3.377 -7.382 1.00 0.00 C ATOM 1282 OG1 THR A 83 6.314 -2.747 -8.492 1.00 0.00 O ATOM 1283 CG2 THR A 83 7.417 -2.210 -6.510 1.00 0.00 C ATOM 0 H THR A 83 7.988 -2.903 -9.688 1.00 0.00 H new ATOM 0 HA THR A 83 8.847 -4.343 -7.225 1.00 0.00 H new ATOM 0 HB THR A 83 6.343 -4.058 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.346 -2.718 -8.343 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.551 -1.697 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.041 -2.589 -5.700 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.994 -1.512 -7.116 1.00 0.00 H new ATOM 1291 N VAL A 84 7.770 -6.509 -7.669 1.00 0.00 N ATOM 1292 CA VAL A 84 7.418 -7.868 -8.046 1.00 0.00 C ATOM 1293 C VAL A 84 6.427 -8.433 -7.026 1.00 0.00 C ATOM 1294 O VAL A 84 6.436 -8.039 -5.861 1.00 0.00 O ATOM 1295 CB VAL A 84 8.683 -8.717 -8.185 1.00 0.00 C ATOM 1296 CG1 VAL A 84 8.341 -10.208 -8.220 1.00 0.00 C ATOM 1297 CG2 VAL A 84 9.484 -8.308 -9.423 1.00 0.00 C ATOM 0 H VAL A 84 8.055 -6.396 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 84 6.927 -7.881 -9.019 1.00 0.00 H new ATOM 0 HB VAL A 84 9.306 -8.537 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.258 -10.789 -8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.833 -10.487 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.688 -10.412 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.378 -8.927 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.872 -8.445 -10.314 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.774 -7.261 -9.339 1.00 0.00 H new ATOM 1307 N VAL A 85 5.596 -9.349 -7.503 1.00 0.00 N ATOM 1308 CA VAL A 85 4.601 -9.973 -6.647 1.00 0.00 C ATOM 1309 C VAL A 85 4.912 -11.465 -6.514 1.00 0.00 C ATOM 1310 O VAL A 85 4.904 -12.196 -7.503 1.00 0.00 O ATOM 1311 CB VAL A 85 3.197 -9.702 -7.194 1.00 0.00 C ATOM 1312 CG1 VAL A 85 2.138 -10.446 -6.378 1.00 0.00 C ATOM 1313 CG2 VAL A 85 2.904 -8.201 -7.233 1.00 0.00 C ATOM 0 H VAL A 85 5.591 -9.674 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 85 4.635 -9.543 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 85 3.158 -10.078 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.150 -10.236 -6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.330 -11.518 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.179 -10.114 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.901 -8.036 -7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.971 -7.791 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.631 -7.705 -7.876 1.00 0.00 H new ATOM 1323 N GLN A 86 5.180 -11.872 -5.282 1.00 0.00 N ATOM 1324 CA GLN A 86 5.495 -13.265 -5.006 1.00 0.00 C ATOM 1325 C GLN A 86 4.383 -13.904 -4.171 1.00 0.00 C ATOM 1326 O GLN A 86 3.618 -13.204 -3.509 1.00 0.00 O ATOM 1327 CB GLN A 86 6.850 -13.392 -4.306 1.00 0.00 C ATOM 1328 CG GLN A 86 7.682 -14.516 -4.926 1.00 0.00 C ATOM 1329 CD GLN A 86 9.171 -14.160 -4.924 1.00 0.00 C ATOM 1330 OE1 GLN A 86 9.824 -14.118 -3.895 1.00 0.00 O ATOM 1331 NE2 GLN A 86 9.668 -13.907 -6.132 1.00 0.00 N ATOM 0 H GLN A 86 5.186 -11.263 -4.464 1.00 0.00 H new ATOM 0 HA GLN A 86 5.562 -13.798 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.392 -12.449 -4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.698 -13.589 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.524 -15.440 -4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.349 -14.699 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.065 -13.960 -6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.652 -13.660 -6.237 1.00 0.00 H new ATOM 1340 N LEU A 87 4.331 -15.227 -4.228 1.00 0.00 N ATOM 1341 CA LEU A 87 3.326 -15.968 -3.486 1.00 0.00 C ATOM 1342 C LEU A 87 4.013 -16.816 -2.413 1.00 0.00 C ATOM 1343 O LEU A 87 4.851 -17.661 -2.727 1.00 0.00 O ATOM 1344 CB LEU A 87 2.445 -16.779 -4.438 1.00 0.00 C ATOM 1345 CG LEU A 87 1.315 -16.008 -5.125 1.00 0.00 C ATOM 1346 CD1 LEU A 87 0.718 -16.821 -6.276 1.00 0.00 C ATOM 1347 CD2 LEU A 87 0.250 -15.580 -4.114 1.00 0.00 C ATOM 0 H LEU A 87 4.969 -15.804 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 87 2.652 -15.283 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.081 -17.215 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.007 -17.607 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 87 1.734 -15.099 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.083 -16.251 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.494 -17.034 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.317 -17.758 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.541 -15.034 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.171 -16.463 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.703 -14.937 -3.359 1.00 0.00 H new ATOM 1359 N GLU A 88 3.634 -16.562 -1.170 1.00 0.00 N ATOM 1360 CA GLU A 88 4.202 -17.291 -0.050 1.00 0.00 C ATOM 1361 C GLU A 88 3.131 -17.558 1.009 1.00 0.00 C ATOM 1362 O GLU A 88 2.739 -16.654 1.744 1.00 0.00 O ATOM 1363 CB GLU A 88 5.389 -16.533 0.551 1.00 0.00 C ATOM 1364 CG GLU A 88 6.569 -17.475 0.803 1.00 0.00 C ATOM 1365 CD GLU A 88 7.866 -16.688 0.998 1.00 0.00 C ATOM 1366 OE1 GLU A 88 8.452 -16.205 0.018 1.00 0.00 O ATOM 1367 OE2 GLU A 88 8.262 -16.583 2.222 1.00 0.00 O ATOM 0 H GLU A 88 2.939 -15.860 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 88 4.570 -18.250 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.695 -15.734 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.088 -16.062 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.372 -18.083 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.678 -18.160 -0.038 1.00 0.00 H new ATOM 1375 N GLY A 89 2.687 -18.806 1.053 1.00 0.00 N ATOM 1376 CA GLY A 89 1.668 -19.205 2.008 1.00 0.00 C ATOM 1377 C GLY A 89 0.482 -19.866 1.303 1.00 0.00 C ATOM 1378 O GLY A 89 0.477 -21.078 1.094 1.00 0.00 O ATOM 0 H GLY A 89 3.015 -19.554 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.096 -19.897 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.325 -18.333 2.564 1.00 0.00 H new ATOM 1382 N ASP A 90 -0.493 -19.041 0.954 1.00 0.00 N ATOM 1383 CA ASP A 90 -1.682 -19.530 0.276 1.00 0.00 C ATOM 1384 C ASP A 90 -2.504 -18.341 -0.224 1.00 0.00 C ATOM 1385 O ASP A 90 -2.628 -18.130 -1.430 1.00 0.00 O ATOM 1386 CB ASP A 90 -2.560 -20.347 1.225 1.00 0.00 C ATOM 1387 CG ASP A 90 -2.854 -21.776 0.765 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -2.639 -22.127 -0.405 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -3.331 -22.555 1.675 1.00 0.00 O ATOM 0 H ASP A 90 -0.485 -18.036 1.128 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.362 -20.162 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.075 -20.388 2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.506 -19.823 1.362 1.00 0.00 H new ATOM 1395 N ASN A 91 -3.045 -17.595 0.728 1.00 0.00 N ATOM 1396 CA ASN A 91 -3.853 -16.432 0.399 1.00 0.00 C ATOM 1397 C ASN A 91 -3.080 -15.161 0.759 1.00 0.00 C ATOM 1398 O ASN A 91 -3.668 -14.182 1.215 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.162 -16.429 1.191 1.00 0.00 C ATOM 1400 CG ASN A 91 -6.322 -15.921 0.332 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -6.215 -15.769 -0.875 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -7.432 -15.666 1.017 1.00 0.00 N ATOM 0 H ASN A 91 -2.940 -17.773 1.727 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.076 -16.467 -0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.380 -17.437 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.055 -15.799 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.262 -15.321 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.454 -15.815 2.026 1.00 0.00 H new ATOM 1409 N LYS A 92 -1.775 -15.220 0.540 1.00 0.00 N ATOM 1410 CA LYS A 92 -0.916 -14.086 0.835 1.00 0.00 C ATOM 1411 C LYS A 92 0.064 -13.878 -0.322 1.00 0.00 C ATOM 1412 O LYS A 92 0.428 -14.831 -1.009 1.00 0.00 O ATOM 1413 CB LYS A 92 -0.234 -14.269 2.192 1.00 0.00 C ATOM 1414 CG LYS A 92 -0.028 -15.752 2.506 1.00 0.00 C ATOM 1415 CD LYS A 92 0.761 -15.933 3.805 1.00 0.00 C ATOM 1416 CE LYS A 92 -0.131 -16.491 4.915 1.00 0.00 C ATOM 1417 NZ LYS A 92 0.434 -16.170 6.244 1.00 0.00 N ATOM 0 H LYS A 92 -1.292 -16.035 0.162 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.507 -13.174 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.728 -13.757 2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.840 -13.809 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.995 -16.247 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.503 -16.231 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.600 -16.608 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.180 -14.976 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.134 -16.072 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.226 -17.571 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.184 -16.556 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.382 -16.590 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.502 -15.138 6.352 1.00 0.00 H new ATOM 1430 N LEU A 93 0.462 -12.628 -0.501 1.00 0.00 N ATOM 1431 CA LEU A 93 1.392 -12.283 -1.563 1.00 0.00 C ATOM 1432 C LEU A 93 2.540 -11.456 -0.980 1.00 0.00 C ATOM 1433 O LEU A 93 2.333 -10.647 -0.078 1.00 0.00 O ATOM 1434 CB LEU A 93 0.659 -11.592 -2.714 1.00 0.00 C ATOM 1435 CG LEU A 93 -0.186 -10.374 -2.336 1.00 0.00 C ATOM 1436 CD1 LEU A 93 0.140 -9.180 -3.235 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -1.678 -10.714 -2.353 1.00 0.00 C ATOM 0 H LEU A 93 0.158 -11.841 0.072 1.00 0.00 H new ATOM 0 HA LEU A 93 1.832 -13.183 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.397 -11.282 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.011 -12.323 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 93 0.067 -10.087 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.475 -8.328 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.193 -8.921 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.066 -9.439 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.256 -9.831 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.965 -11.041 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.877 -11.512 -1.638 1.00 0.00 H new ATOM 1449 N VAL A 94 3.727 -11.688 -1.521 1.00 0.00 N ATOM 1450 CA VAL A 94 4.909 -10.976 -1.067 1.00 0.00 C ATOM 1451 C VAL A 94 5.457 -10.121 -2.212 1.00 0.00 C ATOM 1452 O VAL A 94 5.872 -10.650 -3.242 1.00 0.00 O ATOM 1453 CB VAL A 94 5.938 -11.965 -0.515 1.00 0.00 C ATOM 1454 CG1 VAL A 94 7.083 -11.231 0.186 1.00 0.00 C ATOM 1455 CG2 VAL A 94 5.276 -12.974 0.426 1.00 0.00 C ATOM 0 H VAL A 94 3.895 -12.360 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 94 4.656 -10.301 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 94 6.359 -12.516 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.800 -11.957 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.580 -10.570 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.686 -10.643 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.028 -13.666 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.816 -12.445 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.512 -13.530 -0.117 1.00 0.00 H new ATOM 1465 N THR A 95 5.438 -8.814 -1.995 1.00 0.00 N ATOM 1466 CA THR A 95 5.928 -7.882 -2.996 1.00 0.00 C ATOM 1467 C THR A 95 6.826 -6.827 -2.348 1.00 0.00 C ATOM 1468 O THR A 95 6.612 -6.444 -1.200 1.00 0.00 O ATOM 1469 CB THR A 95 4.717 -7.288 -3.720 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.023 -5.901 -3.825 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.448 -7.328 -2.868 1.00 0.00 C ATOM 0 H THR A 95 5.091 -8.379 -1.140 1.00 0.00 H new ATOM 0 HA THR A 95 6.552 -8.385 -3.734 1.00 0.00 H new ATOM 0 HB THR A 95 4.546 -7.832 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.291 -5.438 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.620 -6.895 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.213 -8.362 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.606 -6.756 -1.953 1.00 0.00 H new ATOM 1479 N THR A 96 7.814 -6.387 -3.114 1.00 0.00 N ATOM 1480 CA THR A 96 8.746 -5.383 -2.630 1.00 0.00 C ATOM 1481 C THR A 96 8.562 -4.070 -3.395 1.00 0.00 C ATOM 1482 O THR A 96 8.249 -4.080 -4.583 1.00 0.00 O ATOM 1483 CB THR A 96 10.160 -5.958 -2.741 1.00 0.00 C ATOM 1484 OG1 THR A 96 9.961 -7.369 -2.745 1.00 0.00 O ATOM 1485 CG2 THR A 96 10.996 -5.702 -1.485 1.00 0.00 C ATOM 0 H THR A 96 7.989 -6.708 -4.066 1.00 0.00 H new ATOM 0 HA THR A 96 8.559 -5.142 -1.584 1.00 0.00 H new ATOM 0 HB THR A 96 10.662 -5.524 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.827 -7.821 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.990 -6.130 -1.616 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.082 -4.628 -1.318 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.512 -6.165 -0.625 1.00 0.00 H new ATOM 1493 N PHE A 97 8.765 -2.973 -2.680 1.00 0.00 N ATOM 1494 CA PHE A 97 8.626 -1.656 -3.277 1.00 0.00 C ATOM 1495 C PHE A 97 9.656 -0.682 -2.702 1.00 0.00 C ATOM 1496 O PHE A 97 9.908 -0.678 -1.498 1.00 0.00 O ATOM 1497 CB PHE A 97 7.221 -1.155 -2.932 1.00 0.00 C ATOM 1498 CG PHE A 97 7.108 -0.527 -1.541 1.00 0.00 C ATOM 1499 CD1 PHE A 97 7.502 0.759 -1.342 1.00 0.00 C ATOM 1500 CD2 PHE A 97 6.614 -1.255 -0.505 1.00 0.00 C ATOM 1501 CE1 PHE A 97 7.397 1.342 -0.052 1.00 0.00 C ATOM 1502 CE2 PHE A 97 6.509 -0.673 0.786 1.00 0.00 C ATOM 1503 CZ PHE A 97 6.902 0.613 0.985 1.00 0.00 C ATOM 0 H PHE A 97 9.024 -2.969 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 97 8.784 -1.717 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.915 -0.420 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 97 6.522 -1.989 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.895 1.337 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.301 -2.276 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.710 2.364 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.117 -1.252 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.821 1.056 1.967 1.00 0.00 H new ATOM 1513 N LYS A 98 10.224 0.120 -3.591 1.00 0.00 N ATOM 1514 CA LYS A 98 11.221 1.097 -3.187 1.00 0.00 C ATOM 1515 C LYS A 98 12.342 0.388 -2.421 1.00 0.00 C ATOM 1516 O LYS A 98 13.002 0.995 -1.580 1.00 0.00 O ATOM 1517 CB LYS A 98 10.569 2.238 -2.405 1.00 0.00 C ATOM 1518 CG LYS A 98 11.527 3.423 -2.260 1.00 0.00 C ATOM 1519 CD LYS A 98 12.138 3.466 -0.858 1.00 0.00 C ATOM 1520 CE LYS A 98 13.630 3.798 -0.921 1.00 0.00 C ATOM 1521 NZ LYS A 98 14.309 3.370 0.322 1.00 0.00 N ATOM 0 H LYS A 98 10.013 0.113 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 98 11.675 1.561 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.661 2.560 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.272 1.884 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.320 3.347 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.993 4.353 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.621 4.212 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.996 2.504 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.083 3.302 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.764 4.870 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.486 4.199 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.705 2.694 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.214 2.915 0.084 1.00 0.00 H new ATOM 1534 N ASN A 99 12.519 -0.884 -2.741 1.00 0.00 N ATOM 1535 CA ASN A 99 13.548 -1.682 -2.094 1.00 0.00 C ATOM 1536 C ASN A 99 13.132 -1.968 -0.649 1.00 0.00 C ATOM 1537 O ASN A 99 13.941 -2.433 0.152 1.00 0.00 O ATOM 1538 CB ASN A 99 14.884 -0.937 -2.063 1.00 0.00 C ATOM 1539 CG ASN A 99 16.058 -1.913 -2.152 1.00 0.00 C ATOM 1540 OD1 ASN A 99 15.913 -3.068 -2.518 1.00 0.00 O ATOM 1541 ND2 ASN A 99 17.228 -1.387 -1.800 1.00 0.00 N ATOM 0 H ASN A 99 11.968 -1.383 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 99 13.664 -2.607 -2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.930 -0.231 -2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.959 -0.355 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.073 -1.958 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.280 -0.413 -1.503 1.00 0.00 H new ATOM 1548 N ILE A 100 11.871 -1.680 -0.362 1.00 0.00 N ATOM 1549 CA ILE A 100 11.338 -1.901 0.970 1.00 0.00 C ATOM 1550 C ILE A 100 10.544 -3.208 0.988 1.00 0.00 C ATOM 1551 O ILE A 100 9.732 -3.457 0.098 1.00 0.00 O ATOM 1552 CB ILE A 100 10.532 -0.686 1.433 1.00 0.00 C ATOM 1553 CG1 ILE A 100 11.412 0.564 1.499 1.00 0.00 C ATOM 1554 CG2 ILE A 100 9.833 -0.967 2.766 1.00 0.00 C ATOM 1555 CD1 ILE A 100 10.561 1.827 1.647 1.00 0.00 C ATOM 0 H ILE A 100 11.203 -1.295 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 100 12.149 -2.011 1.690 1.00 0.00 H new ATOM 0 HB ILE A 100 9.753 -0.492 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.100 0.484 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.019 0.634 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.267 -0.087 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.155 -1.812 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.579 -1.201 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.211 2.701 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.891 1.917 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.974 1.765 2.563 1.00 0.00 H new ATOM 1567 N LYS A 101 10.807 -4.009 2.009 1.00 0.00 N ATOM 1568 CA LYS A 101 10.127 -5.286 2.154 1.00 0.00 C ATOM 1569 C LYS A 101 8.783 -5.066 2.851 1.00 0.00 C ATOM 1570 O LYS A 101 8.734 -4.538 3.961 1.00 0.00 O ATOM 1571 CB LYS A 101 11.030 -6.297 2.864 1.00 0.00 C ATOM 1572 CG LYS A 101 10.201 -7.328 3.632 1.00 0.00 C ATOM 1573 CD LYS A 101 10.957 -8.652 3.763 1.00 0.00 C ATOM 1574 CE LYS A 101 10.748 -9.528 2.526 1.00 0.00 C ATOM 1575 NZ LYS A 101 11.981 -9.571 1.707 1.00 0.00 N ATOM 0 H LYS A 101 11.482 -3.799 2.745 1.00 0.00 H new ATOM 0 HA LYS A 101 9.913 -5.717 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.660 -6.803 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.696 -5.775 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.962 -6.942 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.255 -7.495 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.021 -8.456 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.615 -9.183 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.471 -10.537 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.923 -9.137 1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.939 -10.383 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.063 -8.692 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.808 -9.668 2.330 1.00 0.00 H new ATOM 1588 N SER A 102 7.725 -5.484 2.172 1.00 0.00 N ATOM 1589 CA SER A 102 6.383 -5.340 2.712 1.00 0.00 C ATOM 1590 C SER A 102 5.716 -6.711 2.825 1.00 0.00 C ATOM 1591 O SER A 102 5.954 -7.593 2.002 1.00 0.00 O ATOM 1592 CB SER A 102 5.537 -4.407 1.844 1.00 0.00 C ATOM 1593 OG SER A 102 4.150 -4.500 2.156 1.00 0.00 O ATOM 0 H SER A 102 7.770 -5.923 1.252 1.00 0.00 H new ATOM 0 HA SER A 102 6.459 -4.897 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.872 -3.379 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.689 -4.652 0.793 1.00 0.00 H new ATOM 0 HG SER A 102 3.881 -3.720 2.685 1.00 0.00 H new ATOM 1599 N VAL A 103 4.889 -6.849 3.853 1.00 0.00 N ATOM 1600 CA VAL A 103 4.185 -8.098 4.085 1.00 0.00 C ATOM 1601 C VAL A 103 2.683 -7.873 3.899 1.00 0.00 C ATOM 1602 O VAL A 103 2.085 -7.046 4.587 1.00 0.00 O ATOM 1603 CB VAL A 103 4.540 -8.651 5.467 1.00 0.00 C ATOM 1604 CG1 VAL A 103 3.694 -9.882 5.799 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.033 -8.969 5.562 1.00 0.00 C ATOM 0 H VAL A 103 4.692 -6.116 4.534 1.00 0.00 H new ATOM 0 HA VAL A 103 4.494 -8.851 3.360 1.00 0.00 H new ATOM 0 HB VAL A 103 4.314 -7.881 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.966 -10.255 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.638 -9.611 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.874 -10.658 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.259 -9.360 6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.295 -9.713 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.610 -8.060 5.390 1.00 0.00 H new ATOM 1615 N THR A 104 2.116 -8.623 2.965 1.00 0.00 N ATOM 1616 CA THR A 104 0.695 -8.516 2.681 1.00 0.00 C ATOM 1617 C THR A 104 -0.026 -9.808 3.069 1.00 0.00 C ATOM 1618 O THR A 104 0.484 -10.902 2.835 1.00 0.00 O ATOM 1619 CB THR A 104 0.535 -8.152 1.203 1.00 0.00 C ATOM 1620 OG1 THR A 104 1.812 -7.642 0.831 1.00 0.00 O ATOM 1621 CG2 THR A 104 -0.414 -6.972 0.990 1.00 0.00 C ATOM 0 H THR A 104 2.615 -9.307 2.396 1.00 0.00 H new ATOM 0 HA THR A 104 0.231 -7.730 3.277 1.00 0.00 H new ATOM 0 HB THR A 104 0.166 -9.018 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.344 -8.357 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.492 -6.755 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.400 -7.222 1.382 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.028 -6.096 1.511 1.00 0.00 H new ATOM 1629 N GLU A 105 -1.201 -9.639 3.657 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.998 -10.777 4.081 1.00 0.00 C ATOM 1631 C GLU A 105 -3.488 -10.472 3.923 1.00 0.00 C ATOM 1632 O GLU A 105 -3.903 -9.318 4.029 1.00 0.00 O ATOM 1633 CB GLU A 105 -1.668 -11.171 5.523 1.00 0.00 C ATOM 1634 CG GLU A 105 -1.921 -10.005 6.480 1.00 0.00 C ATOM 1635 CD GLU A 105 -2.131 -10.506 7.911 1.00 0.00 C ATOM 1636 OE1 GLU A 105 -1.227 -10.385 8.749 1.00 0.00 O ATOM 1637 OE2 GLU A 105 -3.284 -11.036 8.138 1.00 0.00 O ATOM 0 H GLU A 105 -1.621 -8.730 3.850 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.752 -11.625 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.275 -12.027 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.625 -11.481 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.076 -9.317 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.798 -9.446 6.154 1.00 0.00 H new ATOM 1645 N LEU A 106 -4.253 -11.524 3.673 1.00 0.00 N ATOM 1646 CA LEU A 106 -5.688 -11.383 3.499 1.00 0.00 C ATOM 1647 C LEU A 106 -6.402 -11.897 4.751 1.00 0.00 C ATOM 1648 O LEU A 106 -6.279 -13.070 5.102 1.00 0.00 O ATOM 1649 CB LEU A 106 -6.141 -12.066 2.208 1.00 0.00 C ATOM 1650 CG LEU A 106 -5.877 -11.296 0.913 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -5.845 -12.240 -0.291 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -6.895 -10.168 0.729 1.00 0.00 C ATOM 0 H LEU A 106 -3.905 -12.479 3.587 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.957 -10.333 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.645 -13.034 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.211 -12.261 2.280 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.892 -10.834 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.656 -11.666 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.053 -12.976 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.804 -12.751 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.685 -9.636 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.900 -10.588 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.826 -9.475 1.568 1.00 0.00 H new ATOM 1664 N ASN A 107 -7.133 -10.995 5.389 1.00 0.00 N ATOM 1665 CA ASN A 107 -7.866 -11.343 6.595 1.00 0.00 C ATOM 1666 C ASN A 107 -9.232 -10.653 6.572 1.00 0.00 C ATOM 1667 O ASN A 107 -9.317 -9.432 6.697 1.00 0.00 O ATOM 1668 CB ASN A 107 -7.121 -10.878 7.847 1.00 0.00 C ATOM 1669 CG ASN A 107 -7.196 -11.931 8.953 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -6.635 -13.010 8.857 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -7.918 -11.560 10.007 1.00 0.00 N ATOM 0 H ASN A 107 -7.234 -10.024 5.094 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.974 -12.427 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.078 -10.678 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.550 -9.941 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.028 -12.194 10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.362 -10.642 10.024 1.00 0.00 H new ATOM 1678 N GLY A 108 -10.266 -11.464 6.413 1.00 0.00 N ATOM 1679 CA GLY A 108 -11.623 -10.948 6.373 1.00 0.00 C ATOM 1680 C GLY A 108 -11.703 -9.681 5.518 1.00 0.00 C ATOM 1681 O GLY A 108 -11.346 -9.699 4.340 1.00 0.00 O ATOM 0 H GLY A 108 -10.192 -12.476 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.293 -11.707 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.963 -10.730 7.385 1.00 0.00 H new ATOM 1685 N ASP A 109 -12.173 -8.612 6.142 1.00 0.00 N ATOM 1686 CA ASP A 109 -12.304 -7.339 5.453 1.00 0.00 C ATOM 1687 C ASP A 109 -11.181 -6.402 5.904 1.00 0.00 C ATOM 1688 O ASP A 109 -11.265 -5.190 5.710 1.00 0.00 O ATOM 1689 CB ASP A 109 -13.639 -6.669 5.782 1.00 0.00 C ATOM 1690 CG ASP A 109 -14.881 -7.472 5.389 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -15.844 -7.578 6.161 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -14.832 -8.010 4.217 1.00 0.00 O ATOM 0 H ASP A 109 -12.468 -8.601 7.118 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.251 -7.529 4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.676 -6.473 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.676 -5.702 5.280 1.00 0.00 H new ATOM 1698 N ILE A 110 -10.158 -6.999 6.496 1.00 0.00 N ATOM 1699 CA ILE A 110 -9.019 -6.234 6.975 1.00 0.00 C ATOM 1700 C ILE A 110 -7.755 -6.697 6.248 1.00 0.00 C ATOM 1701 O ILE A 110 -7.640 -7.865 5.878 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.919 -6.322 8.499 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -10.171 -5.750 9.165 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -7.643 -5.645 9.004 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -10.399 -6.382 10.539 1.00 0.00 C ATOM 0 H ILE A 110 -10.094 -8.004 6.655 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.148 -5.176 6.747 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.858 -7.374 8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.070 -4.670 9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.039 -5.929 8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -7.596 -5.721 10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.773 -6.136 8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.649 -4.594 8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.296 -5.957 10.991 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.524 -7.459 10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.540 -6.181 11.179 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.840 -5.757 6.063 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.589 -6.055 5.387 1.00 0.00 C ATOM 1719 C ILE A 111 -4.423 -5.519 6.221 1.00 0.00 C ATOM 1720 O ILE A 111 -4.386 -4.335 6.554 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.615 -5.522 3.953 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -4.295 -5.812 3.235 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -5.964 -4.032 3.928 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -4.546 -6.381 1.836 1.00 0.00 C ATOM 0 H ILE A 111 -6.940 -4.789 6.369 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.450 -7.133 5.300 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.400 -6.047 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.709 -4.896 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.707 -6.520 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.976 -3.678 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -6.947 -3.881 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.218 -3.474 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.592 -6.578 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.111 -7.309 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.114 -5.661 1.247 1.00 0.00 H new ATOM 1736 N THR A 112 -3.499 -6.416 6.534 1.00 0.00 N ATOM 1737 CA THR A 112 -2.336 -6.049 7.322 1.00 0.00 C ATOM 1738 C THR A 112 -1.113 -5.877 6.420 1.00 0.00 C ATOM 1739 O THR A 112 -0.657 -6.836 5.797 1.00 0.00 O ATOM 1740 CB THR A 112 -2.146 -7.110 8.408 1.00 0.00 C ATOM 1741 OG1 THR A 112 -3.253 -6.913 9.283 1.00 0.00 O ATOM 1742 CG2 THR A 112 -0.924 -6.837 9.287 1.00 0.00 C ATOM 0 H THR A 112 -3.533 -7.397 6.255 1.00 0.00 H new ATOM 0 HA THR A 112 -2.478 -5.085 7.811 1.00 0.00 H new ATOM 0 HB THR A 112 -2.047 -8.091 7.943 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.210 -7.561 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.836 -7.620 10.041 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.026 -6.826 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.038 -5.871 9.779 1.00 0.00 H new ATOM 1750 N ASN A 113 -0.616 -4.650 6.377 1.00 0.00 N ATOM 1751 CA ASN A 113 0.546 -4.340 5.561 1.00 0.00 C ATOM 1752 C ASN A 113 1.660 -3.791 6.455 1.00 0.00 C ATOM 1753 O ASN A 113 1.431 -2.880 7.250 1.00 0.00 O ATOM 1754 CB ASN A 113 0.215 -3.277 4.512 1.00 0.00 C ATOM 1755 CG ASN A 113 1.276 -3.245 3.411 1.00 0.00 C ATOM 1756 OD1 ASN A 113 2.399 -2.809 3.607 1.00 0.00 O ATOM 1757 ND2 ASN A 113 0.861 -3.730 2.244 1.00 0.00 N ATOM 0 H ASN A 113 -0.997 -3.858 6.894 1.00 0.00 H new ATOM 0 HA ASN A 113 0.860 -5.256 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.762 -3.484 4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.150 -2.299 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.496 -3.752 1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.092 -4.080 2.147 1.00 0.00 H new ATOM 1764 N THR A 114 2.842 -4.368 6.295 1.00 0.00 N ATOM 1765 CA THR A 114 3.992 -3.947 7.077 1.00 0.00 C ATOM 1766 C THR A 114 4.986 -3.185 6.198 1.00 0.00 C ATOM 1767 O THR A 114 5.039 -3.398 4.987 1.00 0.00 O ATOM 1768 CB THR A 114 4.593 -5.188 7.740 1.00 0.00 C ATOM 1769 OG1 THR A 114 3.473 -6.040 7.962 1.00 0.00 O ATOM 1770 CG2 THR A 114 5.128 -4.902 9.144 1.00 0.00 C ATOM 0 H THR A 114 3.028 -5.123 5.635 1.00 0.00 H new ATOM 0 HA THR A 114 3.702 -3.250 7.863 1.00 0.00 H new ATOM 0 HB THR A 114 5.399 -5.577 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.773 -6.870 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.543 -5.816 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 114 5.907 -4.141 9.089 1.00 0.00 H new ATOM 0 HG23 THR A 114 4.316 -4.544 9.777 1.00 0.00 H new ATOM 1778 N MET A 115 5.750 -2.315 6.840 1.00 0.00 N ATOM 1779 CA MET A 115 6.739 -1.521 6.132 1.00 0.00 C ATOM 1780 C MET A 115 7.968 -1.266 7.008 1.00 0.00 C ATOM 1781 O MET A 115 7.860 -1.210 8.232 1.00 0.00 O ATOM 1782 CB MET A 115 6.120 -0.184 5.718 1.00 0.00 C ATOM 1783 CG MET A 115 5.433 -0.296 4.357 1.00 0.00 C ATOM 1784 SD MET A 115 3.756 0.306 4.467 1.00 0.00 S ATOM 1785 CE MET A 115 3.432 0.640 2.744 1.00 0.00 C ATOM 0 H MET A 115 5.704 -2.142 7.844 1.00 0.00 H new ATOM 0 HA MET A 115 7.055 -2.074 5.248 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.397 0.134 6.469 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.894 0.582 5.676 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.986 0.278 3.613 1.00 0.00 H new ATOM 0 HG3 MET A 115 5.434 -1.334 4.024 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.419 1.026 2.632 1.00 0.00 H new ATOM 0 HE2 MET A 115 4.144 1.379 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.535 -0.280 2.169 1.00 0.00 H new ATOM 1795 N THR A 116 9.106 -1.119 6.346 1.00 0.00 N ATOM 1796 CA THR A 116 10.353 -0.871 7.050 1.00 0.00 C ATOM 1797 C THR A 116 11.220 0.116 6.266 1.00 0.00 C ATOM 1798 O THR A 116 11.666 -0.185 5.160 1.00 0.00 O ATOM 1799 CB THR A 116 11.035 -2.219 7.292 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.366 -1.872 7.665 1.00 0.00 O ATOM 1801 CG2 THR A 116 11.207 -3.028 6.005 1.00 0.00 C ATOM 0 H THR A 116 9.191 -1.167 5.331 1.00 0.00 H new ATOM 0 HA THR A 116 10.175 -0.402 8.018 1.00 0.00 H new ATOM 0 HB THR A 116 10.452 -2.798 8.008 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.879 -2.688 7.842 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.696 -3.975 6.233 1.00 0.00 H new ATOM 0 HG22 THR A 116 10.229 -3.221 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.819 -2.465 5.300 1.00 0.00 H new ATOM 1809 N LEU A 117 11.433 1.276 6.870 1.00 0.00 N ATOM 1810 CA LEU A 117 12.238 2.310 6.243 1.00 0.00 C ATOM 1811 C LEU A 117 13.033 3.054 7.318 1.00 0.00 C ATOM 1812 O LEU A 117 12.510 3.344 8.393 1.00 0.00 O ATOM 1813 CB LEU A 117 11.363 3.224 5.383 1.00 0.00 C ATOM 1814 CG LEU A 117 12.106 4.237 4.510 1.00 0.00 C ATOM 1815 CD1 LEU A 117 12.947 3.531 3.445 1.00 0.00 C ATOM 1816 CD2 LEU A 117 11.135 5.249 3.897 1.00 0.00 C ATOM 0 H LEU A 117 11.062 1.522 7.787 1.00 0.00 H new ATOM 0 HA LEU A 117 12.962 1.866 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.746 2.600 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.685 3.769 6.040 1.00 0.00 H new ATOM 0 HG LEU A 117 12.794 4.795 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.465 4.274 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.679 2.884 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.298 2.931 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.689 5.958 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.405 4.725 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 117 10.619 5.786 4.693 1.00 0.00 H new ATOM 1828 N GLY A 118 14.285 3.342 6.991 1.00 0.00 N ATOM 1829 CA GLY A 118 15.156 4.047 7.915 1.00 0.00 C ATOM 1830 C GLY A 118 15.180 3.357 9.280 1.00 0.00 C ATOM 1831 O GLY A 118 15.287 4.017 10.312 1.00 0.00 O ATOM 0 H GLY A 118 14.716 3.100 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.166 4.090 7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.814 5.076 8.029 1.00 0.00 H new ATOM 1835 N ASP A 119 15.079 2.036 9.242 1.00 0.00 N ATOM 1836 CA ASP A 119 15.087 1.249 10.465 1.00 0.00 C ATOM 1837 C ASP A 119 13.795 1.510 11.242 1.00 0.00 C ATOM 1838 O ASP A 119 13.667 1.098 12.394 1.00 0.00 O ATOM 1839 CB ASP A 119 16.265 1.637 11.360 1.00 0.00 C ATOM 1840 CG ASP A 119 16.585 0.638 12.475 1.00 0.00 C ATOM 1841 OD1 ASP A 119 16.284 -0.559 12.365 1.00 0.00 O ATOM 1842 OD2 ASP A 119 17.177 1.142 13.504 1.00 0.00 O ATOM 0 H ASP A 119 14.991 1.491 8.384 1.00 0.00 H new ATOM 0 HA ASP A 119 15.174 0.198 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.151 1.759 10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.056 2.607 11.811 1.00 0.00 H new ATOM 1848 N ILE A 120 12.872 2.191 10.581 1.00 0.00 N ATOM 1849 CA ILE A 120 11.594 2.511 11.195 1.00 0.00 C ATOM 1850 C ILE A 120 10.501 1.640 10.574 1.00 0.00 C ATOM 1851 O ILE A 120 10.263 1.704 9.369 1.00 0.00 O ATOM 1852 CB ILE A 120 11.314 4.012 11.098 1.00 0.00 C ATOM 1853 CG1 ILE A 120 12.357 4.816 11.878 1.00 0.00 C ATOM 1854 CG2 ILE A 120 9.888 4.334 11.550 1.00 0.00 C ATOM 1855 CD1 ILE A 120 12.699 6.119 11.153 1.00 0.00 C ATOM 0 H ILE A 120 12.983 2.531 9.626 1.00 0.00 H new ATOM 0 HA ILE A 120 11.616 2.282 12.261 1.00 0.00 H new ATOM 0 HB ILE A 120 11.395 4.308 10.052 1.00 0.00 H new ATOM 0 HG12 ILE A 120 11.978 5.039 12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.260 4.219 12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.715 5.407 11.471 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.177 3.804 10.916 1.00 0.00 H new ATOM 0 HG23 ILE A 120 9.755 4.020 12.585 1.00 0.00 H new ATOM 0 HD11 ILE A 120 13.442 6.671 11.728 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.100 5.891 10.165 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.798 6.724 11.048 1.00 0.00 H new ATOM 1867 N VAL A 121 9.866 0.847 11.424 1.00 0.00 N ATOM 1868 CA VAL A 121 8.803 -0.036 10.973 1.00 0.00 C ATOM 1869 C VAL A 121 7.449 0.608 11.274 1.00 0.00 C ATOM 1870 O VAL A 121 7.216 1.082 12.386 1.00 0.00 O ATOM 1871 CB VAL A 121 8.965 -1.417 11.611 1.00 0.00 C ATOM 1872 CG1 VAL A 121 9.015 -1.313 13.137 1.00 0.00 C ATOM 1873 CG2 VAL A 121 7.848 -2.361 11.163 1.00 0.00 C ATOM 0 H VAL A 121 10.067 0.797 12.423 1.00 0.00 H new ATOM 0 HA VAL A 121 8.859 -0.183 9.894 1.00 0.00 H new ATOM 0 HB VAL A 121 9.913 -1.834 11.272 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.131 -2.308 13.566 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.860 -0.691 13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.090 -0.866 13.502 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.986 -3.336 11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.883 -1.950 11.460 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.878 -2.471 10.079 1.00 0.00 H new ATOM 1883 N PHE A 122 6.590 0.605 10.266 1.00 0.00 N ATOM 1884 CA PHE A 122 5.265 1.183 10.409 1.00 0.00 C ATOM 1885 C PHE A 122 4.180 0.122 10.213 1.00 0.00 C ATOM 1886 O PHE A 122 4.386 -0.856 9.496 1.00 0.00 O ATOM 1887 CB PHE A 122 5.122 2.249 9.320 1.00 0.00 C ATOM 1888 CG PHE A 122 3.672 2.602 8.983 1.00 0.00 C ATOM 1889 CD1 PHE A 122 2.949 1.794 8.161 1.00 0.00 C ATOM 1890 CD2 PHE A 122 3.106 3.724 9.503 1.00 0.00 C ATOM 1891 CE1 PHE A 122 1.603 2.122 7.847 1.00 0.00 C ATOM 1892 CE2 PHE A 122 1.761 4.052 9.189 1.00 0.00 C ATOM 1893 CZ PHE A 122 1.038 3.245 8.368 1.00 0.00 C ATOM 0 H PHE A 122 6.786 0.211 9.346 1.00 0.00 H new ATOM 0 HA PHE A 122 5.148 1.603 11.408 1.00 0.00 H new ATOM 0 HB2 PHE A 122 5.640 3.153 9.640 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.620 1.899 8.416 1.00 0.00 H new ATOM 0 HD1 PHE A 122 3.398 0.903 7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.680 4.366 10.155 1.00 0.00 H new ATOM 0 HE1 PHE A 122 1.028 1.481 7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 122 1.312 4.943 9.602 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.015 3.495 8.129 1.00 0.00 H new ATOM 1903 N LYS A 123 3.048 0.352 10.862 1.00 0.00 N ATOM 1904 CA LYS A 123 1.930 -0.572 10.769 1.00 0.00 C ATOM 1905 C LYS A 123 0.647 0.214 10.495 1.00 0.00 C ATOM 1906 O LYS A 123 0.556 1.395 10.825 1.00 0.00 O ATOM 1907 CB LYS A 123 1.858 -1.453 12.018 1.00 0.00 C ATOM 1908 CG LYS A 123 1.597 -2.913 11.643 1.00 0.00 C ATOM 1909 CD LYS A 123 0.437 -3.489 12.458 1.00 0.00 C ATOM 1910 CE LYS A 123 0.573 -5.006 12.609 1.00 0.00 C ATOM 1911 NZ LYS A 123 1.584 -5.336 13.639 1.00 0.00 N ATOM 0 H LYS A 123 2.881 1.165 11.455 1.00 0.00 H new ATOM 0 HA LYS A 123 2.069 -1.257 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 123 2.792 -1.378 12.575 1.00 0.00 H new ATOM 0 HB3 LYS A 123 1.065 -1.095 12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 123 1.370 -2.984 10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.497 -3.503 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.413 -3.023 13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -0.508 -3.252 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -0.389 -5.438 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.860 -5.448 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.545 -6.354 13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.531 -5.092 13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.387 -4.795 14.505 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.314 -0.474 9.895 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.588 0.144 9.573 1.00 0.00 C ATOM 1926 C ARG A 124 -2.678 -0.921 9.447 1.00 0.00 C ATOM 1927 O ARG A 124 -2.403 -2.052 9.049 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.503 0.934 8.265 1.00 0.00 C ATOM 1929 CG ARG A 124 -1.378 -0.007 7.064 1.00 0.00 C ATOM 1930 CD ARG A 124 -1.319 0.782 5.754 1.00 0.00 C ATOM 1931 NE ARG A 124 -2.682 1.199 5.354 1.00 0.00 N ATOM 1932 CZ ARG A 124 -3.531 0.427 4.642 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -3.165 -0.812 4.248 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -4.725 0.900 4.339 1.00 0.00 N ATOM 0 H ARG A 124 -0.235 -1.454 9.624 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.837 0.830 10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.391 1.556 8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -0.645 1.606 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -0.480 -0.616 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.227 -0.691 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.682 1.658 5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.872 0.170 4.971 1.00 0.00 H new ATOM 0 HE ARG A 124 -3.000 2.127 5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.241 -1.171 4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.813 -1.388 3.711 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.995 1.836 4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.378 0.330 3.802 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.894 -0.523 9.794 1.00 0.00 N ATOM 1948 CA ILE A 125 -5.027 -1.430 9.725 1.00 0.00 C ATOM 1949 C ILE A 125 -6.201 -0.721 9.047 1.00 0.00 C ATOM 1950 O ILE A 125 -6.440 0.461 9.286 1.00 0.00 O ATOM 1951 CB ILE A 125 -5.360 -1.979 11.114 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -4.105 -2.518 11.805 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -6.469 -3.029 11.037 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -3.640 -3.823 11.155 1.00 0.00 C ATOM 0 H ILE A 125 -4.119 0.416 10.124 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.782 -2.299 9.114 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.737 -1.159 11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.308 -1.776 11.751 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.311 -2.687 12.862 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.686 -3.403 12.038 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.367 -2.579 10.615 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.145 -3.855 10.404 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.747 -4.185 11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.430 -4.570 11.233 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.411 -3.645 10.104 1.00 0.00 H new ATOM 1966 N SER A 126 -6.903 -1.475 8.212 1.00 0.00 N ATOM 1967 CA SER A 126 -8.046 -0.933 7.497 1.00 0.00 C ATOM 1968 C SER A 126 -9.233 -1.892 7.606 1.00 0.00 C ATOM 1969 O SER A 126 -9.078 -3.029 8.049 1.00 0.00 O ATOM 1970 CB SER A 126 -7.706 -0.675 6.029 1.00 0.00 C ATOM 1971 OG SER A 126 -7.170 -1.832 5.393 1.00 0.00 O ATOM 0 H SER A 126 -6.702 -2.455 8.015 1.00 0.00 H new ATOM 0 HA SER A 126 -8.313 0.021 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.603 -0.354 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.987 0.141 5.962 1.00 0.00 H new ATOM 0 HG SER A 126 -6.195 -1.836 5.489 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.392 -1.398 7.195 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.605 -2.197 7.241 1.00 0.00 C ATOM 1979 C LYS A 127 -12.570 -1.713 6.157 1.00 0.00 C ATOM 1980 O LYS A 127 -12.521 -0.554 5.750 1.00 0.00 O ATOM 1981 CB LYS A 127 -12.203 -2.183 8.648 1.00 0.00 C ATOM 1982 CG LYS A 127 -12.901 -3.508 8.962 1.00 0.00 C ATOM 1983 CD LYS A 127 -13.506 -3.491 10.366 1.00 0.00 C ATOM 1984 CE LYS A 127 -15.019 -3.266 10.309 1.00 0.00 C ATOM 1985 NZ LYS A 127 -15.375 -1.975 10.940 1.00 0.00 N ATOM 0 H LYS A 127 -10.517 -0.454 6.829 1.00 0.00 H new ATOM 0 HA LYS A 127 -11.382 -3.242 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -11.416 -2.001 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.916 -1.363 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.684 -3.693 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.187 -4.327 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -13.294 -4.435 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.040 -2.703 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.355 -3.276 9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.533 -4.081 10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.405 -1.838 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.071 -1.979 11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -14.899 -1.199 10.436 1.00 0.00 H new ATOM 1998 N ARG A 128 -13.425 -2.626 5.721 1.00 0.00 N ATOM 1999 CA ARG A 128 -14.402 -2.306 4.693 1.00 0.00 C ATOM 2000 C ARG A 128 -15.447 -1.332 5.238 1.00 0.00 C ATOM 2001 O ARG A 128 -16.114 -1.622 6.229 1.00 0.00 O ATOM 2002 CB ARG A 128 -15.104 -3.569 4.189 1.00 0.00 C ATOM 2003 CG ARG A 128 -15.991 -3.258 2.982 1.00 0.00 C ATOM 2004 CD ARG A 128 -17.004 -4.380 2.741 1.00 0.00 C ATOM 2005 NE ARG A 128 -16.321 -5.565 2.175 1.00 0.00 N ATOM 2006 CZ ARG A 128 -16.961 -6.673 1.745 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -18.307 -6.758 1.815 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -16.252 -7.673 1.257 1.00 0.00 N ATOM 0 H ARG A 128 -13.462 -3.587 6.060 1.00 0.00 H new ATOM 0 HA ARG A 128 -13.870 -1.844 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -14.361 -4.318 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -15.709 -3.997 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.517 -2.317 3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -15.371 -3.126 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -17.495 -4.645 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.782 -4.038 2.059 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.304 -5.543 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -18.848 -5.981 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -18.783 -7.599 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.236 -7.602 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.720 -8.517 0.928 1.00 0.00 H new ATOM 2021 N ILE A 129 -15.558 -0.196 4.565 1.00 0.00 N ATOM 2022 CA ILE A 129 -16.511 0.823 4.970 1.00 0.00 C ATOM 2023 C ILE A 129 -16.244 1.217 6.424 1.00 0.00 C ATOM 2024 O ILE A 129 -16.173 2.402 6.748 1.00 0.00 O ATOM 2025 CB ILE A 129 -17.943 0.350 4.714 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -18.219 0.221 3.214 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -18.956 1.264 5.406 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -19.468 -0.624 2.956 1.00 0.00 C ATOM 0 H ILE A 129 -15.004 0.041 3.742 1.00 0.00 H new ATOM 0 HA ILE A 129 -16.385 1.723 4.368 1.00 0.00 H new ATOM 0 HB ILE A 129 -18.056 -0.643 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -18.350 1.212 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -17.360 -0.234 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -19.966 0.904 5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -18.775 1.260 6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -18.851 2.279 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -19.641 -0.699 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -19.325 -1.621 3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -20.330 -0.154 3.430 1.00 0.00 H new