USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 68 LYS NZ :NH3+ 171:sc= 0.00486 (180deg=0.00239) USER MOD Set 1.2: A 84 SER OG : rot -100:sc= -0.189 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -164:sc= 1.55 (180deg=1.28) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0.279 USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= -2.01! (180deg=-2.77!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 164:sc= 0.646 USER MOD Single : A 14 MET CE :methyl 179:sc= -3.96! (180deg=-4.22!) USER MOD Single : A 15 MET CE :methyl -139:sc= -1.51 (180deg=-5.07!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0.0202 (180deg=0.0079) USER MOD Single : A 34 ASN : amide:sc= -1.69 K(o=-1.7,f=-4.6!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.16 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 14:sc= 0.625 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= -0.11 (180deg=-0.688) USER MOD Single : A 70 CYS SG : rot 120:sc= -1.96 USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0916 (180deg=-0.514) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -158:sc= -0.109 (180deg=-0.804) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.2) USER MOD Single : A 99 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 100 SER OG : rot 85:sc= 0.415 USER MOD Single : A 101 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.59 F(o=-2!,f=-0.59) USER MOD Single : A 106 LYS NZ :NH3+ -130:sc= -1.66 (180deg=-3.16!) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -12.152 8.460 -1.589 1.00 0.00 N ATOM 67 CA VAL A 8 -10.775 8.776 -1.229 1.00 0.00 C ATOM 68 C VAL A 8 -10.636 8.997 0.273 1.00 0.00 C ATOM 69 O VAL A 8 -11.057 10.026 0.802 1.00 0.00 O ATOM 70 CB VAL A 8 -10.275 10.031 -1.970 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.854 10.371 -1.546 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.358 9.829 -3.475 1.00 0.00 C ATOM 0 HA VAL A 8 -10.167 7.921 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.918 10.870 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.518 11.260 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.830 10.561 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.194 9.536 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.001 10.725 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.740 8.978 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.393 9.638 -3.760 1.00 0.00 H new ATOM 82 N LEU A 9 -10.042 8.024 0.955 1.00 0.00 N ATOM 83 CA LEU A 9 -9.847 8.111 2.398 1.00 0.00 C ATOM 84 C LEU A 9 -8.664 9.013 2.734 1.00 0.00 C ATOM 85 O LEU A 9 -8.805 9.998 3.460 1.00 0.00 O ATOM 86 CB LEU A 9 -9.623 6.717 2.988 1.00 0.00 C ATOM 87 CG LEU A 9 -10.662 5.658 2.618 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.235 4.290 3.129 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.028 6.034 3.171 1.00 0.00 C ATOM 0 H LEU A 9 -9.687 7.166 0.532 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.747 8.544 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.643 6.363 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.593 6.804 4.074 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.734 5.611 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.986 3.549 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.278 4.017 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.134 4.322 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.754 5.269 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.972 6.110 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.337 6.993 2.755 1.00 0.00 H new ATOM 101 N LYS A 10 -7.496 8.672 2.200 1.00 0.00 N ATOM 102 CA LYS A 10 -6.287 9.452 2.439 1.00 0.00 C ATOM 103 C LYS A 10 -5.607 9.819 1.123 1.00 0.00 C ATOM 104 O LYS A 10 -5.801 9.151 0.108 1.00 0.00 O ATOM 105 CB LYS A 10 -5.317 8.669 3.326 1.00 0.00 C ATOM 106 CG LYS A 10 -4.461 9.551 4.218 1.00 0.00 C ATOM 107 CD LYS A 10 -3.472 8.731 5.029 1.00 0.00 C ATOM 108 CE LYS A 10 -3.146 9.403 6.354 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.316 9.410 7.275 1.00 0.00 N ATOM 0 H LYS A 10 -7.361 7.860 1.598 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.573 10.372 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.885 7.978 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.666 8.066 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.921 10.273 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.102 10.120 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.885 7.740 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.556 8.592 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.313 8.884 6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.821 10.427 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.267 10.246 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.195 9.440 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.304 8.549 7.858 1.00 0.00 H new ATOM 123 N GLN A 11 -4.811 10.882 1.151 1.00 0.00 N ATOM 124 CA GLN A 11 -4.102 11.336 -0.040 1.00 0.00 C ATOM 125 C GLN A 11 -2.897 12.191 0.336 1.00 0.00 C ATOM 126 O GLN A 11 -2.980 13.045 1.218 1.00 0.00 O ATOM 127 CB GLN A 11 -5.043 12.130 -0.948 1.00 0.00 C ATOM 128 CG GLN A 11 -5.706 13.309 -0.254 1.00 0.00 C ATOM 129 CD GLN A 11 -6.979 13.753 -0.947 1.00 0.00 C ATOM 130 OE1 GLN A 11 -8.046 13.809 -0.335 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.873 14.073 -2.231 1.00 0.00 N ATOM 0 H GLN A 11 -4.640 11.445 1.984 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.746 10.457 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.482 12.494 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.815 11.462 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.934 13.038 0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.007 14.144 -0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.969 14.012 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.696 14.380 -2.750 1.00 0.00 H new ATOM 140 N GLY A 12 -1.776 11.956 -0.338 1.00 0.00 N ATOM 141 CA GLY A 12 -0.569 12.712 -0.060 1.00 0.00 C ATOM 142 C GLY A 12 0.631 12.194 -0.827 1.00 0.00 C ATOM 143 O GLY A 12 0.638 11.050 -1.283 1.00 0.00 O ATOM 0 H GLY A 12 -1.682 11.255 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.734 13.759 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.358 12.672 1.009 1.00 0.00 H new ATOM 147 N TYR A 13 1.647 13.036 -0.972 1.00 0.00 N ATOM 148 CA TYR A 13 2.857 12.658 -1.693 1.00 0.00 C ATOM 149 C TYR A 13 3.712 11.707 -0.862 1.00 0.00 C ATOM 150 O TYR A 13 4.127 12.037 0.249 1.00 0.00 O ATOM 151 CB TYR A 13 3.667 13.902 -2.060 1.00 0.00 C ATOM 152 CG TYR A 13 3.173 14.601 -3.306 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.979 13.900 -4.489 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.900 15.964 -3.300 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.528 14.535 -5.630 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.448 16.607 -4.436 1.00 0.00 C ATOM 157 CZ TYR A 13 2.264 15.888 -5.599 1.00 0.00 C ATOM 158 OH TYR A 13 1.813 16.524 -6.733 1.00 0.00 O ATOM 0 H TYR A 13 1.657 13.986 -0.600 1.00 0.00 H new ATOM 0 HA TYR A 13 2.559 12.144 -2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.639 14.603 -1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.709 13.617 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.184 12.840 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.044 16.530 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.383 13.974 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.240 17.667 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 13 1.435 17.395 -6.491 1.00 0.00 H new ATOM 168 N MET A 14 3.972 10.524 -1.409 1.00 0.00 N ATOM 169 CA MET A 14 4.779 9.524 -0.719 1.00 0.00 C ATOM 170 C MET A 14 5.854 8.961 -1.644 1.00 0.00 C ATOM 171 O MET A 14 5.659 8.873 -2.855 1.00 0.00 O ATOM 172 CB MET A 14 3.892 8.391 -0.199 1.00 0.00 C ATOM 173 CG MET A 14 2.862 8.845 0.822 1.00 0.00 C ATOM 174 SD MET A 14 2.164 7.473 1.761 1.00 0.00 S ATOM 175 CE MET A 14 1.313 6.575 0.466 1.00 0.00 C ATOM 0 H MET A 14 3.636 10.234 -2.327 1.00 0.00 H new ATOM 0 HA MET A 14 5.269 10.008 0.126 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.377 7.928 -1.041 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.523 7.624 0.250 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.325 9.553 1.510 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.059 9.376 0.311 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.844 5.686 0.888 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.549 7.213 0.023 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.028 6.279 -0.301 1.00 0.00 H new ATOM 185 N MET A 15 6.988 8.582 -1.064 1.00 0.00 N ATOM 186 CA MET A 15 8.093 8.027 -1.837 1.00 0.00 C ATOM 187 C MET A 15 8.005 6.505 -1.894 1.00 0.00 C ATOM 188 O MET A 15 8.142 5.826 -0.877 1.00 0.00 O ATOM 189 CB MET A 15 9.432 8.450 -1.229 1.00 0.00 C ATOM 190 CG MET A 15 9.615 9.957 -1.152 1.00 0.00 C ATOM 191 SD MET A 15 11.325 10.433 -0.833 1.00 0.00 S ATOM 192 CE MET A 15 11.960 10.554 -2.503 1.00 0.00 C ATOM 0 H MET A 15 7.166 8.649 -0.062 1.00 0.00 H new ATOM 0 HA MET A 15 8.025 8.416 -2.853 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.515 8.030 -0.226 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.242 8.024 -1.821 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.285 10.408 -2.088 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.977 10.357 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.962 10.127 -2.543 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.305 10.008 -3.182 1.00 0.00 H new ATOM 0 HE3 MET A 15 12.000 11.601 -2.802 1.00 0.00 H new ATOM 202 N LYS A 16 7.777 5.975 -3.091 1.00 0.00 N ATOM 203 CA LYS A 16 7.672 4.534 -3.283 1.00 0.00 C ATOM 204 C LYS A 16 8.952 3.971 -3.893 1.00 0.00 C ATOM 205 O LYS A 16 9.441 4.471 -4.907 1.00 0.00 O ATOM 206 CB LYS A 16 6.478 4.204 -4.182 1.00 0.00 C ATOM 207 CG LYS A 16 6.501 2.786 -4.727 1.00 0.00 C ATOM 208 CD LYS A 16 5.294 2.507 -5.607 1.00 0.00 C ATOM 209 CE LYS A 16 5.598 1.443 -6.650 1.00 0.00 C ATOM 210 NZ LYS A 16 4.380 0.674 -7.029 1.00 0.00 N ATOM 0 H LYS A 16 7.661 6.523 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 16 7.523 4.073 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.557 4.353 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.457 4.905 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.415 2.631 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.520 2.077 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.458 2.182 -4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.984 3.427 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.021 1.914 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.353 0.759 -6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.659 -0.199 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.842 0.432 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.787 1.251 -7.659 1.00 0.00 H new ATOM 224 N LYS A 17 9.490 2.929 -3.270 1.00 0.00 N ATOM 225 CA LYS A 17 10.712 2.296 -3.752 1.00 0.00 C ATOM 226 C LYS A 17 10.436 1.456 -4.995 1.00 0.00 C ATOM 227 O LYS A 17 9.717 0.459 -4.935 1.00 0.00 O ATOM 228 CB LYS A 17 11.323 1.419 -2.657 1.00 0.00 C ATOM 229 CG LYS A 17 12.777 1.056 -2.908 1.00 0.00 C ATOM 230 CD LYS A 17 13.431 0.480 -1.664 1.00 0.00 C ATOM 231 CE LYS A 17 14.945 0.431 -1.803 1.00 0.00 C ATOM 232 NZ LYS A 17 15.396 -0.795 -2.518 1.00 0.00 N ATOM 0 H LYS A 17 9.099 2.504 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 17 11.419 3.083 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.247 1.939 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.739 0.503 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.837 0.332 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.324 1.942 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.163 1.085 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.048 -0.524 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.289 1.313 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.402 0.464 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.433 -0.792 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.090 -1.637 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.980 -0.814 -3.471 1.00 0.00 H new ATOM 355 N TRP A 24 14.217 6.486 -4.431 1.00 0.00 N ATOM 356 CA TRP A 24 12.968 6.980 -3.863 1.00 0.00 C ATOM 357 C TRP A 24 12.446 8.175 -4.653 1.00 0.00 C ATOM 358 O TRP A 24 13.136 9.185 -4.800 1.00 0.00 O ATOM 359 CB TRP A 24 13.170 7.371 -2.398 1.00 0.00 C ATOM 360 CG TRP A 24 13.530 6.212 -1.518 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.779 5.868 -1.086 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.631 5.243 -0.966 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.711 4.744 -0.298 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.405 4.342 -0.208 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.249 5.051 -1.036 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.840 3.266 0.471 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.690 3.983 -0.361 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.484 3.102 0.385 1.00 0.00 C ATOM 0 HA TRP A 24 12.230 6.180 -3.920 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.956 8.123 -2.335 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.256 7.832 -2.023 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.687 6.401 -1.328 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.505 4.284 0.148 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.629 5.725 -1.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.450 2.585 1.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.623 3.825 -0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.017 2.277 0.902 1.00 0.00 H new ATOM 379 N THR A 25 11.223 8.056 -5.160 1.00 0.00 N ATOM 380 CA THR A 25 10.609 9.126 -5.936 1.00 0.00 C ATOM 381 C THR A 25 9.266 9.535 -5.341 1.00 0.00 C ATOM 382 O THR A 25 8.452 8.686 -4.982 1.00 0.00 O ATOM 383 CB THR A 25 10.401 8.707 -7.403 1.00 0.00 C ATOM 384 OG1 THR A 25 11.627 8.206 -7.948 1.00 0.00 O ATOM 385 CG2 THR A 25 9.913 9.883 -8.237 1.00 0.00 C ATOM 0 H THR A 25 10.638 7.228 -5.047 1.00 0.00 H new ATOM 0 HA THR A 25 11.292 9.974 -5.901 1.00 0.00 H new ATOM 0 HB THR A 25 9.644 7.923 -7.430 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.486 7.940 -8.881 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.773 9.563 -9.270 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.965 10.244 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.651 10.685 -8.202 1.00 0.00 H new ATOM 393 N GLU A 26 9.042 10.842 -5.242 1.00 0.00 N ATOM 394 CA GLU A 26 7.797 11.362 -4.690 1.00 0.00 C ATOM 395 C GLU A 26 6.651 11.202 -5.686 1.00 0.00 C ATOM 396 O GLU A 26 6.795 11.510 -6.869 1.00 0.00 O ATOM 397 CB GLU A 26 7.957 12.837 -4.314 1.00 0.00 C ATOM 398 CG GLU A 26 6.714 13.443 -3.684 1.00 0.00 C ATOM 399 CD GLU A 26 6.690 14.956 -3.778 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.379 15.507 -4.662 1.00 0.00 O ATOM 401 OE2 GLU A 26 5.982 15.589 -2.968 1.00 0.00 O ATOM 0 H GLU A 26 9.706 11.559 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 26 7.560 10.789 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.792 12.938 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.215 13.405 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.829 13.038 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.661 13.147 -2.636 1.00 0.00 H new ATOM 408 N ARG A 27 5.515 10.715 -5.198 1.00 0.00 N ATOM 409 CA ARG A 27 4.345 10.511 -6.044 1.00 0.00 C ATOM 410 C ARG A 27 3.060 10.606 -5.227 1.00 0.00 C ATOM 411 O ARG A 27 3.076 10.450 -4.006 1.00 0.00 O ATOM 412 CB ARG A 27 4.422 9.150 -6.737 1.00 0.00 C ATOM 413 CG ARG A 27 5.618 9.005 -7.664 1.00 0.00 C ATOM 414 CD ARG A 27 5.358 7.976 -8.753 1.00 0.00 C ATOM 415 NE ARG A 27 6.598 7.438 -9.306 1.00 0.00 N ATOM 416 CZ ARG A 27 7.395 8.118 -10.123 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.082 9.356 -10.480 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.507 7.560 -10.584 1.00 0.00 N ATOM 0 H ARG A 27 5.380 10.454 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 27 4.333 11.296 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.464 8.368 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.508 8.991 -7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.845 9.969 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.494 8.711 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.759 7.161 -8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.774 8.433 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 27 6.867 6.488 -9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.228 9.788 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.695 9.876 -11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.751 6.608 -10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.118 8.083 -11.211 1.00 0.00 H new ATOM 432 N TRP A 28 1.950 10.863 -5.909 1.00 0.00 N ATOM 433 CA TRP A 28 0.656 10.979 -5.246 1.00 0.00 C ATOM 434 C TRP A 28 0.042 9.605 -5.005 1.00 0.00 C ATOM 435 O TRP A 28 0.075 8.738 -5.879 1.00 0.00 O ATOM 436 CB TRP A 28 -0.295 11.836 -6.085 1.00 0.00 C ATOM 437 CG TRP A 28 -1.458 12.370 -5.305 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.773 12.041 -5.466 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.409 13.329 -4.243 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.546 12.737 -4.568 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.733 13.534 -3.806 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.377 14.033 -3.617 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -3.048 14.414 -2.774 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.691 14.906 -2.593 1.00 0.00 C ATOM 445 CH2 TRP A 28 -2.017 15.090 -2.179 1.00 0.00 C ATOM 0 H TRP A 28 1.920 10.995 -6.920 1.00 0.00 H new ATOM 0 HA TRP A 28 0.813 11.460 -4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.261 12.671 -6.512 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.668 11.242 -6.919 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.151 11.337 -6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.560 12.671 -4.483 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.648 13.897 -3.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.069 14.558 -2.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.099 15.456 -2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.230 15.779 -1.375 1.00 0.00 H new ATOM 456 N PHE A 29 -0.517 9.411 -3.816 1.00 0.00 N ATOM 457 CA PHE A 29 -1.138 8.140 -3.460 1.00 0.00 C ATOM 458 C PHE A 29 -2.577 8.349 -2.996 1.00 0.00 C ATOM 459 O PHE A 29 -2.844 9.162 -2.111 1.00 0.00 O ATOM 460 CB PHE A 29 -0.332 7.444 -2.362 1.00 0.00 C ATOM 461 CG PHE A 29 0.735 6.528 -2.890 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.961 7.031 -3.293 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.510 5.164 -2.985 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.945 6.190 -3.780 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.490 4.319 -3.471 1.00 0.00 C ATOM 466 CZ PHE A 29 2.708 4.833 -3.870 1.00 0.00 C ATOM 0 H PHE A 29 -0.553 10.118 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.149 7.508 -4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.131 8.200 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.012 6.871 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.151 8.092 -3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.441 4.757 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.897 6.594 -4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.303 3.257 -3.539 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.474 4.174 -4.252 1.00 0.00 H new ATOM 476 N VAL A 30 -3.500 7.608 -3.600 1.00 0.00 N ATOM 477 CA VAL A 30 -4.912 7.711 -3.249 1.00 0.00 C ATOM 478 C VAL A 30 -5.410 6.427 -2.594 1.00 0.00 C ATOM 479 O VAL A 30 -5.665 5.430 -3.270 1.00 0.00 O ATOM 480 CB VAL A 30 -5.778 8.011 -4.487 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.253 8.027 -4.116 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.363 9.331 -5.119 1.00 0.00 C ATOM 0 H VAL A 30 -3.296 6.930 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.003 8.536 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.622 7.219 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.849 8.241 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.537 7.055 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.431 8.797 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.985 9.528 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.489 10.136 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.318 9.276 -5.423 1.00 0.00 H new ATOM 492 N LEU A 31 -5.546 6.459 -1.273 1.00 0.00 N ATOM 493 CA LEU A 31 -6.014 5.298 -0.524 1.00 0.00 C ATOM 494 C LEU A 31 -7.532 5.172 -0.607 1.00 0.00 C ATOM 495 O LEU A 31 -8.263 5.860 0.107 1.00 0.00 O ATOM 496 CB LEU A 31 -5.578 5.400 0.939 1.00 0.00 C ATOM 497 CG LEU A 31 -6.313 4.489 1.923 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.013 3.029 1.626 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.931 4.834 3.355 1.00 0.00 C ATOM 0 H LEU A 31 -5.339 7.276 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.569 4.407 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.512 5.178 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.707 6.432 1.265 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.385 4.648 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.545 2.396 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.338 2.790 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.941 2.852 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.463 4.176 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.857 4.704 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.199 5.870 3.564 1.00 0.00 H new ATOM 511 N LYS A 32 -8.001 4.289 -1.481 1.00 0.00 N ATOM 512 CA LYS A 32 -9.431 4.069 -1.656 1.00 0.00 C ATOM 513 C LYS A 32 -9.968 3.112 -0.597 1.00 0.00 C ATOM 514 O LYS A 32 -9.217 2.397 0.066 1.00 0.00 O ATOM 515 CB LYS A 32 -9.716 3.514 -3.053 1.00 0.00 C ATOM 516 CG LYS A 32 -9.943 4.589 -4.101 1.00 0.00 C ATOM 517 CD LYS A 32 -11.278 5.288 -3.903 1.00 0.00 C ATOM 518 CE LYS A 32 -11.424 6.485 -4.830 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.768 7.115 -4.715 1.00 0.00 N ATOM 0 H LYS A 32 -7.410 3.713 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.937 5.028 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.880 2.887 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.596 2.872 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.137 5.321 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.909 4.143 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.089 4.584 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.368 5.616 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.656 7.222 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.258 6.169 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.890 7.814 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.503 6.383 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.852 7.588 -3.793 1.00 0.00 H new ATOM 533 N PRO A 33 -11.300 3.094 -0.435 1.00 0.00 N ATOM 534 CA PRO A 33 -11.966 2.226 0.541 1.00 0.00 C ATOM 535 C PRO A 33 -11.896 0.754 0.151 1.00 0.00 C ATOM 536 O PRO A 33 -11.979 -0.129 1.004 1.00 0.00 O ATOM 537 CB PRO A 33 -13.416 2.716 0.519 1.00 0.00 C ATOM 538 CG PRO A 33 -13.590 3.325 -0.830 1.00 0.00 C ATOM 539 CD PRO A 33 -12.257 3.919 -1.191 1.00 0.00 C ATOM 0 HA PRO A 33 -11.497 2.282 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.114 1.894 0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.600 3.444 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.894 2.575 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.367 4.089 -0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.072 3.868 -2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.195 4.969 -0.906 1.00 0.00 H new ATOM 547 N ASN A 34 -11.742 0.496 -1.144 1.00 0.00 N ATOM 548 CA ASN A 34 -11.660 -0.870 -1.647 1.00 0.00 C ATOM 549 C ASN A 34 -10.526 -1.011 -2.658 1.00 0.00 C ATOM 550 O ASN A 34 -10.547 -1.900 -3.510 1.00 0.00 O ATOM 551 CB ASN A 34 -12.986 -1.279 -2.292 1.00 0.00 C ATOM 552 CG ASN A 34 -14.076 -1.524 -1.266 1.00 0.00 C ATOM 553 OD1 ASN A 34 -13.930 -1.178 -0.094 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.177 -2.125 -1.704 1.00 0.00 N ATOM 0 H ASN A 34 -11.672 1.215 -1.864 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.455 -1.529 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.308 -0.498 -2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.836 -2.183 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.944 -2.317 -1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.255 -2.395 -2.685 1.00 0.00 H new ATOM 561 N ILE A 35 -9.537 -0.129 -2.556 1.00 0.00 N ATOM 562 CA ILE A 35 -8.394 -0.157 -3.460 1.00 0.00 C ATOM 563 C ILE A 35 -7.395 0.942 -3.115 1.00 0.00 C ATOM 564 O ILE A 35 -7.613 1.726 -2.191 1.00 0.00 O ATOM 565 CB ILE A 35 -8.832 0.006 -4.927 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.782 -0.593 -5.865 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.065 1.474 -5.251 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.372 -1.231 -7.104 1.00 0.00 C ATOM 0 H ILE A 35 -9.504 0.613 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.918 -1.130 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.770 -0.530 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.086 0.190 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.205 -1.341 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.374 1.572 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.846 1.870 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.143 2.033 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.570 -1.634 -7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.046 -2.037 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.925 -0.482 -7.671 1.00 0.00 H new ATOM 580 N ILE A 36 -6.299 0.994 -3.865 1.00 0.00 N ATOM 581 CA ILE A 36 -5.267 1.999 -3.641 1.00 0.00 C ATOM 582 C ILE A 36 -4.575 2.378 -4.946 1.00 0.00 C ATOM 583 O ILE A 36 -3.760 1.619 -5.470 1.00 0.00 O ATOM 584 CB ILE A 36 -4.209 1.506 -2.636 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.835 1.321 -1.252 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.045 2.482 -2.571 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.856 0.840 -0.205 1.00 0.00 C ATOM 0 H ILE A 36 -6.103 0.352 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.766 2.876 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.830 0.541 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.265 2.268 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.655 0.607 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.306 2.120 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.586 2.567 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.407 3.460 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.369 0.731 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.444 -0.123 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.048 1.564 -0.102 1.00 0.00 H new ATOM 599 N SER A 37 -4.905 3.556 -5.464 1.00 0.00 N ATOM 600 CA SER A 37 -4.317 4.036 -6.709 1.00 0.00 C ATOM 601 C SER A 37 -3.423 5.246 -6.458 1.00 0.00 C ATOM 602 O SER A 37 -3.809 6.182 -5.756 1.00 0.00 O ATOM 603 CB SER A 37 -5.415 4.398 -7.711 1.00 0.00 C ATOM 604 OG SER A 37 -5.998 3.234 -8.272 1.00 0.00 O ATOM 0 H SER A 37 -5.577 4.196 -5.041 1.00 0.00 H new ATOM 0 HA SER A 37 -3.706 3.235 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.184 4.990 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.998 5.018 -8.504 1.00 0.00 H new ATOM 0 HG SER A 37 -6.698 3.492 -8.908 1.00 0.00 H new ATOM 610 N TYR A 38 -2.227 5.221 -7.035 1.00 0.00 N ATOM 611 CA TYR A 38 -1.277 6.314 -6.872 1.00 0.00 C ATOM 612 C TYR A 38 -0.992 6.993 -8.209 1.00 0.00 C ATOM 613 O TYR A 38 -0.459 6.374 -9.130 1.00 0.00 O ATOM 614 CB TYR A 38 0.027 5.798 -6.262 1.00 0.00 C ATOM 615 CG TYR A 38 0.631 4.636 -7.018 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.003 3.397 -7.044 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.829 4.777 -7.707 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.551 2.332 -7.732 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.384 3.718 -8.399 1.00 0.00 C ATOM 620 CZ TYR A 38 1.742 2.498 -8.409 1.00 0.00 C ATOM 621 OH TYR A 38 2.290 1.440 -9.097 1.00 0.00 O ATOM 0 H TYR A 38 -1.893 4.455 -7.620 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.720 7.048 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.750 6.613 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.159 5.493 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.930 3.264 -6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.335 5.731 -7.702 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.050 1.375 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.316 3.845 -8.929 1.00 0.00 H new ATOM 0 HH TYR A 38 3.128 1.723 -9.519 1.00 0.00 H new ATOM 631 N TYR A 39 -1.351 8.268 -8.306 1.00 0.00 N ATOM 632 CA TYR A 39 -1.137 9.031 -9.529 1.00 0.00 C ATOM 633 C TYR A 39 0.200 9.765 -9.486 1.00 0.00 C ATOM 634 O TYR A 39 0.605 10.281 -8.445 1.00 0.00 O ATOM 635 CB TYR A 39 -2.274 10.032 -9.736 1.00 0.00 C ATOM 636 CG TYR A 39 -3.645 9.394 -9.770 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.272 8.988 -8.599 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.311 9.196 -10.973 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.523 8.403 -8.625 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.563 8.614 -11.008 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.165 8.219 -9.831 1.00 0.00 C ATOM 642 OH TYR A 39 -7.412 7.637 -9.862 1.00 0.00 O ATOM 0 H TYR A 39 -1.792 8.795 -7.552 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.121 8.332 -10.365 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.246 10.771 -8.935 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.109 10.568 -10.670 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.773 9.132 -7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.842 9.502 -11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.996 8.091 -7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.068 8.469 -11.952 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.724 7.582 -10.789 1.00 0.00 H new ATOM 652 N VAL A 40 0.881 9.807 -10.627 1.00 0.00 N ATOM 653 CA VAL A 40 2.172 10.479 -10.722 1.00 0.00 C ATOM 654 C VAL A 40 2.094 11.900 -10.174 1.00 0.00 C ATOM 655 O VAL A 40 3.098 12.465 -9.742 1.00 0.00 O ATOM 656 CB VAL A 40 2.672 10.529 -12.178 1.00 0.00 C ATOM 657 CG1 VAL A 40 1.573 11.027 -13.104 1.00 0.00 C ATOM 658 CG2 VAL A 40 3.910 11.407 -12.286 1.00 0.00 C ATOM 0 H VAL A 40 0.560 9.384 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 40 2.875 9.900 -10.123 1.00 0.00 H new ATOM 0 HB VAL A 40 2.943 9.519 -12.486 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.945 11.055 -14.128 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.717 10.354 -13.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.268 12.029 -12.801 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.250 11.431 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.668 12.419 -11.960 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.700 11.001 -11.654 1.00 0.00 H new ATOM 668 N SER A 41 0.894 12.471 -10.195 1.00 0.00 N ATOM 669 CA SER A 41 0.685 13.828 -9.703 1.00 0.00 C ATOM 670 C SER A 41 -0.497 13.880 -8.739 1.00 0.00 C ATOM 671 O SER A 41 -1.248 12.914 -8.609 1.00 0.00 O ATOM 672 CB SER A 41 0.447 14.786 -10.872 1.00 0.00 C ATOM 673 OG SER A 41 1.480 14.680 -11.836 1.00 0.00 O ATOM 0 H SER A 41 0.052 12.015 -10.547 1.00 0.00 H new ATOM 0 HA SER A 41 1.583 14.136 -9.167 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.513 14.565 -11.338 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.394 15.810 -10.502 1.00 0.00 H new ATOM 0 HG SER A 41 1.304 15.301 -12.574 1.00 0.00 H new ATOM 679 N GLU A 42 -0.653 15.015 -8.066 1.00 0.00 N ATOM 680 CA GLU A 42 -1.743 15.194 -7.113 1.00 0.00 C ATOM 681 C GLU A 42 -2.977 15.772 -7.799 1.00 0.00 C ATOM 682 O GLU A 42 -3.763 16.492 -7.183 1.00 0.00 O ATOM 683 CB GLU A 42 -1.304 16.110 -5.969 1.00 0.00 C ATOM 684 CG GLU A 42 -1.280 17.583 -6.344 1.00 0.00 C ATOM 685 CD GLU A 42 -0.549 18.433 -5.323 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.101 18.646 -4.224 1.00 0.00 O ATOM 687 OE2 GLU A 42 0.575 18.885 -5.625 1.00 0.00 O ATOM 0 H GLU A 42 -0.039 15.824 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.001 14.216 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.978 15.970 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.309 15.812 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.802 17.699 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.303 17.945 -6.447 1.00 0.00 H new ATOM 694 N ASP A 43 -3.139 15.454 -9.079 1.00 0.00 N ATOM 695 CA ASP A 43 -4.277 15.941 -9.850 1.00 0.00 C ATOM 696 C ASP A 43 -5.200 14.791 -10.241 1.00 0.00 C ATOM 697 O ASP A 43 -6.342 15.009 -10.649 1.00 0.00 O ATOM 698 CB ASP A 43 -3.795 16.674 -11.102 1.00 0.00 C ATOM 699 CG ASP A 43 -2.716 15.908 -11.842 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.803 14.663 -11.897 1.00 0.00 O ATOM 701 OD2 ASP A 43 -1.785 16.553 -12.368 1.00 0.00 O ATOM 0 H ASP A 43 -2.497 14.861 -9.604 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.838 16.636 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.640 16.841 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.412 17.655 -10.820 1.00 0.00 H new ATOM 706 N LEU A 44 -4.698 13.568 -10.117 1.00 0.00 N ATOM 707 CA LEU A 44 -5.477 12.383 -10.459 1.00 0.00 C ATOM 708 C LEU A 44 -5.733 12.314 -11.961 1.00 0.00 C ATOM 709 O LEU A 44 -6.745 11.772 -12.405 1.00 0.00 O ATOM 710 CB LEU A 44 -6.807 12.387 -9.703 1.00 0.00 C ATOM 711 CG LEU A 44 -6.730 12.708 -8.210 1.00 0.00 C ATOM 712 CD1 LEU A 44 -8.125 12.788 -7.608 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.893 11.665 -7.484 1.00 0.00 C ATOM 0 H LEU A 44 -3.755 13.370 -9.782 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.902 11.504 -10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.469 13.112 -10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.271 11.408 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.249 13.679 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.050 13.017 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.693 13.572 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.633 11.832 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.849 11.909 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.346 10.682 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.884 11.656 -7.897 1.00 0.00 H new ATOM 725 N LYS A 45 -4.808 12.865 -12.739 1.00 0.00 N ATOM 726 CA LYS A 45 -4.929 12.864 -14.192 1.00 0.00 C ATOM 727 C LYS A 45 -4.201 11.669 -14.798 1.00 0.00 C ATOM 728 O LYS A 45 -4.708 11.020 -15.713 1.00 0.00 O ATOM 729 CB LYS A 45 -4.369 14.164 -14.772 1.00 0.00 C ATOM 730 CG LYS A 45 -5.217 15.385 -14.460 1.00 0.00 C ATOM 731 CD LYS A 45 -6.268 15.623 -15.532 1.00 0.00 C ATOM 732 CE LYS A 45 -7.328 16.609 -15.064 1.00 0.00 C ATOM 733 NZ LYS A 45 -6.909 18.021 -15.286 1.00 0.00 N ATOM 0 H LYS A 45 -3.965 13.319 -12.387 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.987 12.788 -14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.363 14.322 -14.383 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.280 14.061 -15.853 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.705 15.253 -13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.576 16.263 -14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.789 16.003 -16.434 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.741 14.677 -15.796 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.261 16.419 -15.595 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.528 16.452 -14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.658 18.662 -14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.033 18.210 -14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.743 18.178 -16.301 1.00 0.00 H new ATOM 747 N ASP A 46 -3.011 11.383 -14.282 1.00 0.00 N ATOM 748 CA ASP A 46 -2.214 10.264 -14.770 1.00 0.00 C ATOM 749 C ASP A 46 -2.006 9.225 -13.673 1.00 0.00 C ATOM 750 O ASP A 46 -1.252 9.448 -12.726 1.00 0.00 O ATOM 751 CB ASP A 46 -0.861 10.760 -15.284 1.00 0.00 C ATOM 752 CG ASP A 46 -0.926 11.237 -16.721 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.321 12.401 -16.943 1.00 0.00 O ATOM 754 OD2 ASP A 46 -0.582 10.447 -17.624 1.00 0.00 O ATOM 0 H ASP A 46 -2.577 11.911 -13.525 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.756 9.795 -15.591 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.511 11.574 -14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.129 9.957 -15.204 1.00 0.00 H new ATOM 759 N LYS A 47 -2.680 8.088 -13.807 1.00 0.00 N ATOM 760 CA LYS A 47 -2.570 7.013 -12.828 1.00 0.00 C ATOM 761 C LYS A 47 -1.396 6.096 -13.157 1.00 0.00 C ATOM 762 O LYS A 47 -1.251 5.637 -14.290 1.00 0.00 O ATOM 763 CB LYS A 47 -3.867 6.202 -12.783 1.00 0.00 C ATOM 764 CG LYS A 47 -3.839 5.066 -11.775 1.00 0.00 C ATOM 765 CD LYS A 47 -5.240 4.690 -11.320 1.00 0.00 C ATOM 766 CE LYS A 47 -5.914 3.750 -12.307 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.393 3.734 -12.137 1.00 0.00 N ATOM 0 H LYS A 47 -3.309 7.887 -14.585 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.395 7.462 -11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.695 6.869 -12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.064 5.793 -13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.354 4.197 -12.219 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.241 5.359 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.190 4.215 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.841 5.592 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.669 4.055 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.522 2.742 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.815 3.081 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.628 3.418 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.770 4.691 -12.290 1.00 0.00 H new ATOM 781 N LYS A 48 -0.560 5.831 -12.158 1.00 0.00 N ATOM 782 CA LYS A 48 0.600 4.967 -12.339 1.00 0.00 C ATOM 783 C LYS A 48 0.194 3.497 -12.300 1.00 0.00 C ATOM 784 O LYS A 48 0.654 2.694 -13.111 1.00 0.00 O ATOM 785 CB LYS A 48 1.645 5.248 -11.257 1.00 0.00 C ATOM 786 CG LYS A 48 2.549 6.425 -11.576 1.00 0.00 C ATOM 787 CD LYS A 48 3.455 6.128 -12.759 1.00 0.00 C ATOM 788 CE LYS A 48 4.770 6.885 -12.658 1.00 0.00 C ATOM 789 NZ LYS A 48 5.376 7.126 -13.997 1.00 0.00 N ATOM 0 H LYS A 48 -0.665 6.203 -11.214 1.00 0.00 H new ATOM 0 HA LYS A 48 1.032 5.181 -13.316 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.136 5.438 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.258 4.358 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.941 7.303 -11.794 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.156 6.666 -10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.653 5.057 -12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.948 6.400 -13.685 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.602 7.839 -12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.468 6.320 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.271 7.644 -13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.560 6.215 -14.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.721 7.687 -14.578 1.00 0.00 H new ATOM 803 N GLY A 49 -0.671 3.151 -11.352 1.00 0.00 N ATOM 804 CA GLY A 49 -1.125 1.778 -11.226 1.00 0.00 C ATOM 805 C GLY A 49 -2.266 1.633 -10.238 1.00 0.00 C ATOM 806 O GLY A 49 -2.944 2.608 -9.915 1.00 0.00 O ATOM 0 H GLY A 49 -1.066 3.797 -10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.445 1.413 -12.202 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.292 1.151 -10.909 1.00 0.00 H new ATOM 810 N ASP A 50 -2.479 0.413 -9.759 1.00 0.00 N ATOM 811 CA ASP A 50 -3.547 0.142 -8.803 1.00 0.00 C ATOM 812 C ASP A 50 -3.210 -1.070 -7.941 1.00 0.00 C ATOM 813 O ASP A 50 -2.503 -1.978 -8.379 1.00 0.00 O ATOM 814 CB ASP A 50 -4.870 -0.089 -9.535 1.00 0.00 C ATOM 815 CG ASP A 50 -4.693 -0.888 -10.811 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.173 -2.020 -10.734 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.076 -0.382 -11.887 1.00 0.00 O ATOM 0 H ASP A 50 -1.926 -0.405 -10.017 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.648 1.011 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.561 -0.613 -8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.324 0.873 -9.772 1.00 0.00 H new ATOM 822 N ILE A 51 -3.720 -1.077 -6.714 1.00 0.00 N ATOM 823 CA ILE A 51 -3.473 -2.177 -5.791 1.00 0.00 C ATOM 824 C ILE A 51 -4.781 -2.749 -5.254 1.00 0.00 C ATOM 825 O ILE A 51 -5.334 -2.248 -4.274 1.00 0.00 O ATOM 826 CB ILE A 51 -2.596 -1.732 -4.606 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.260 -1.181 -5.111 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.368 -2.893 -3.649 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.589 -0.239 -4.137 1.00 0.00 C ATOM 0 H ILE A 51 -4.307 -0.333 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.946 -2.948 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.115 -0.939 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.588 -2.014 -5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.424 -0.659 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.746 -2.562 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.327 -3.244 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.867 -3.705 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.352 0.112 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.242 0.613 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.393 -0.762 -3.201 1.00 0.00 H new ATOM 841 N LEU A 52 -5.270 -3.801 -5.900 1.00 0.00 N ATOM 842 CA LEU A 52 -6.513 -4.443 -5.487 1.00 0.00 C ATOM 843 C LEU A 52 -6.461 -4.832 -4.013 1.00 0.00 C ATOM 844 O LEU A 52 -5.802 -5.803 -3.639 1.00 0.00 O ATOM 845 CB LEU A 52 -6.780 -5.681 -6.344 1.00 0.00 C ATOM 846 CG LEU A 52 -6.663 -5.489 -7.857 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.889 -6.807 -8.581 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.652 -4.437 -8.338 1.00 0.00 C ATOM 0 H LEU A 52 -4.825 -4.228 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.325 -3.730 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.084 -6.464 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.783 -6.043 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.655 -5.142 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.802 -6.651 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.142 -7.532 -8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.885 -7.184 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.555 -4.313 -9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.667 -4.755 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.443 -3.488 -7.844 1.00 0.00 H new ATOM 860 N LEU A 53 -7.162 -4.070 -3.181 1.00 0.00 N ATOM 861 CA LEU A 53 -7.198 -4.336 -1.747 1.00 0.00 C ATOM 862 C LEU A 53 -8.118 -5.512 -1.434 1.00 0.00 C ATOM 863 O LEU A 53 -9.238 -5.588 -1.939 1.00 0.00 O ATOM 864 CB LEU A 53 -7.665 -3.092 -0.989 1.00 0.00 C ATOM 865 CG LEU A 53 -6.612 -2.006 -0.768 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.250 -0.756 -0.180 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.501 -2.516 0.136 1.00 0.00 C ATOM 0 H LEU A 53 -7.713 -3.263 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.189 -4.593 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.502 -2.653 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.045 -3.405 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.177 -1.747 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.486 0.006 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.009 -0.378 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.713 -0.999 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.761 -1.729 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.920 -2.804 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.025 -3.381 -0.325 1.00 0.00 H new ATOM 879 N ASP A 54 -7.638 -6.425 -0.597 1.00 0.00 N ATOM 880 CA ASP A 54 -8.419 -7.596 -0.214 1.00 0.00 C ATOM 881 C ASP A 54 -7.843 -8.247 1.040 1.00 0.00 C ATOM 882 O ASP A 54 -6.641 -8.172 1.292 1.00 0.00 O ATOM 883 CB ASP A 54 -8.455 -8.609 -1.359 1.00 0.00 C ATOM 884 CG ASP A 54 -9.318 -9.814 -1.040 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.559 -9.673 -1.049 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.753 -10.897 -0.781 1.00 0.00 O ATOM 0 H ASP A 54 -6.713 -6.377 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.436 -7.269 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.833 -8.123 -2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.440 -8.941 -1.579 1.00 0.00 H new ATOM 891 N GLU A 55 -8.709 -8.884 1.821 1.00 0.00 N ATOM 892 CA GLU A 55 -8.285 -9.546 3.049 1.00 0.00 C ATOM 893 C GLU A 55 -6.839 -10.021 2.940 1.00 0.00 C ATOM 894 O GLU A 55 -6.055 -9.877 3.877 1.00 0.00 O ATOM 895 CB GLU A 55 -9.201 -10.732 3.358 1.00 0.00 C ATOM 896 CG GLU A 55 -9.115 -11.851 2.333 1.00 0.00 C ATOM 897 CD GLU A 55 -9.975 -13.044 2.699 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.140 -12.837 3.099 1.00 0.00 O ATOM 899 OE2 GLU A 55 -9.483 -14.187 2.586 1.00 0.00 O ATOM 0 H GLU A 55 -9.708 -8.956 1.626 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.351 -8.823 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.947 -11.130 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.231 -10.380 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.423 -11.471 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.078 -12.171 2.237 1.00 0.00 H new ATOM 906 N ASN A 56 -6.494 -10.589 1.789 1.00 0.00 N ATOM 907 CA ASN A 56 -5.143 -11.087 1.557 1.00 0.00 C ATOM 908 C ASN A 56 -4.114 -9.976 1.744 1.00 0.00 C ATOM 909 O ASN A 56 -3.184 -10.104 2.540 1.00 0.00 O ATOM 910 CB ASN A 56 -5.028 -11.672 0.148 1.00 0.00 C ATOM 911 CG ASN A 56 -5.367 -13.149 0.106 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.480 -13.998 0.005 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.654 -13.464 0.183 1.00 0.00 N ATOM 0 H ASN A 56 -7.131 -10.716 1.003 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.941 -11.871 2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.694 -11.130 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.013 -11.524 -0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.942 -14.442 0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.355 -12.728 0.266 1.00 0.00 H new ATOM 920 N CYS A 57 -4.288 -8.885 1.004 1.00 0.00 N ATOM 921 CA CYS A 57 -3.376 -7.751 1.087 1.00 0.00 C ATOM 922 C CYS A 57 -3.303 -7.216 2.514 1.00 0.00 C ATOM 923 O CYS A 57 -4.280 -7.277 3.262 1.00 0.00 O ATOM 924 CB CYS A 57 -3.823 -6.640 0.136 1.00 0.00 C ATOM 925 SG CYS A 57 -3.561 -7.019 -1.626 1.00 0.00 S ATOM 0 H CYS A 57 -5.053 -8.763 0.340 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.383 -8.092 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.882 -6.440 0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.284 -5.726 0.384 1.00 0.00 H new ATOM 930 N CYS A 58 -2.140 -6.691 2.885 1.00 0.00 N ATOM 931 CA CYS A 58 -1.939 -6.145 4.222 1.00 0.00 C ATOM 932 C CYS A 58 -0.725 -5.222 4.255 1.00 0.00 C ATOM 933 O CYS A 58 0.087 -5.213 3.330 1.00 0.00 O ATOM 934 CB CYS A 58 -1.762 -7.276 5.236 1.00 0.00 C ATOM 935 SG CYS A 58 -0.271 -8.268 4.984 1.00 0.00 S ATOM 0 H CYS A 58 -1.322 -6.632 2.278 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.822 -5.564 4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.736 -6.850 6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.633 -7.930 5.190 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.209 -9.197 5.892 1.00 0.00 H new ATOM 941 N VAL A 59 -0.609 -4.444 5.327 1.00 0.00 N ATOM 942 CA VAL A 59 0.505 -3.516 5.481 1.00 0.00 C ATOM 943 C VAL A 59 1.422 -3.942 6.622 1.00 0.00 C ATOM 944 O VAL A 59 0.956 -4.357 7.683 1.00 0.00 O ATOM 945 CB VAL A 59 0.009 -2.082 5.744 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.869 -2.040 6.985 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.186 -1.128 5.881 1.00 0.00 C ATOM 0 H VAL A 59 -1.273 -4.438 6.101 1.00 0.00 H new ATOM 0 HA VAL A 59 1.063 -3.534 4.545 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.591 -1.762 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.210 -1.019 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.731 -2.692 6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.296 -2.379 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.817 -0.119 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.815 -1.443 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.771 -1.137 4.961 1.00 0.00 H new ATOM 957 N GLU A 60 2.728 -3.837 6.396 1.00 0.00 N ATOM 958 CA GLU A 60 3.710 -4.212 7.406 1.00 0.00 C ATOM 959 C GLU A 60 4.695 -3.074 7.656 1.00 0.00 C ATOM 960 O GLU A 60 5.075 -2.353 6.733 1.00 0.00 O ATOM 961 CB GLU A 60 4.466 -5.470 6.972 1.00 0.00 C ATOM 962 CG GLU A 60 3.562 -6.661 6.702 1.00 0.00 C ATOM 963 CD GLU A 60 3.291 -7.482 7.948 1.00 0.00 C ATOM 964 OE1 GLU A 60 2.368 -7.121 8.708 1.00 0.00 O ATOM 965 OE2 GLU A 60 4.002 -8.486 8.162 1.00 0.00 O ATOM 0 H GLU A 60 3.130 -3.496 5.523 1.00 0.00 H new ATOM 0 HA GLU A 60 3.178 -4.419 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.038 -5.247 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.184 -5.738 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.616 -6.309 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.021 -7.297 5.945 1.00 0.00 H new ATOM 972 N SER A 61 5.105 -2.919 8.911 1.00 0.00 N ATOM 973 CA SER A 61 6.042 -1.866 9.285 1.00 0.00 C ATOM 974 C SER A 61 7.479 -2.293 9.002 1.00 0.00 C ATOM 975 O SER A 61 7.950 -3.308 9.516 1.00 0.00 O ATOM 976 CB SER A 61 5.884 -1.515 10.766 1.00 0.00 C ATOM 977 OG SER A 61 6.428 -2.530 11.591 1.00 0.00 O ATOM 0 H SER A 61 4.803 -3.509 9.686 1.00 0.00 H new ATOM 0 HA SER A 61 5.818 -0.984 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.382 -0.568 10.974 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.828 -1.379 11.000 1.00 0.00 H new ATOM 0 HG SER A 61 6.986 -3.127 11.050 1.00 0.00 H new ATOM 983 N LEU A 62 8.171 -1.511 8.181 1.00 0.00 N ATOM 984 CA LEU A 62 9.556 -1.806 7.829 1.00 0.00 C ATOM 985 C LEU A 62 10.521 -1.000 8.692 1.00 0.00 C ATOM 986 O LEU A 62 10.195 0.078 9.190 1.00 0.00 O ATOM 987 CB LEU A 62 9.802 -1.504 6.350 1.00 0.00 C ATOM 988 CG LEU A 62 8.999 -2.339 5.351 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.186 -1.808 3.939 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.407 -3.803 5.431 1.00 0.00 C ATOM 0 H LEU A 62 7.796 -0.668 7.746 1.00 0.00 H new ATOM 0 HA LEU A 62 9.734 -2.866 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.581 -0.451 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.863 -1.646 6.142 1.00 0.00 H new ATOM 0 HG LEU A 62 7.943 -2.262 5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.607 -2.415 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.844 -0.774 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.241 -1.854 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.826 -4.382 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.468 -3.898 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.220 -4.178 6.437 1.00 0.00 H new ATOM 1002 N PRO A 63 11.739 -1.532 8.872 1.00 0.00 N ATOM 1003 CA PRO A 63 12.778 -0.877 9.672 1.00 0.00 C ATOM 1004 C PRO A 63 13.319 0.382 9.002 1.00 0.00 C ATOM 1005 O PRO A 63 12.846 0.782 7.939 1.00 0.00 O ATOM 1006 CB PRO A 63 13.873 -1.942 9.772 1.00 0.00 C ATOM 1007 CG PRO A 63 13.677 -2.801 8.570 1.00 0.00 C ATOM 1008 CD PRO A 63 12.196 -2.813 8.307 1.00 0.00 C ATOM 0 HA PRO A 63 12.399 -0.544 10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.865 -1.490 9.778 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.780 -2.520 10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.222 -2.404 7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.050 -3.810 8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.978 -2.883 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.709 -3.661 8.788 1.00 0.00 H new ATOM 1016 N ASP A 64 14.313 1.000 9.631 1.00 0.00 N ATOM 1017 CA ASP A 64 14.919 2.213 9.094 1.00 0.00 C ATOM 1018 C ASP A 64 16.189 1.887 8.314 1.00 0.00 C ATOM 1019 O ASP A 64 17.210 1.519 8.895 1.00 0.00 O ATOM 1020 CB ASP A 64 15.238 3.193 10.225 1.00 0.00 C ATOM 1021 CG ASP A 64 14.150 3.232 11.280 1.00 0.00 C ATOM 1022 OD1 ASP A 64 12.959 3.228 10.905 1.00 0.00 O ATOM 1023 OD2 ASP A 64 14.490 3.267 12.481 1.00 0.00 O ATOM 0 H ASP A 64 14.716 0.681 10.512 1.00 0.00 H new ATOM 0 HA ASP A 64 14.205 2.676 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.182 2.911 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.373 4.192 9.809 1.00 0.00 H new ATOM 1028 N LYS A 65 16.118 2.023 6.995 1.00 0.00 N ATOM 1029 CA LYS A 65 17.261 1.743 6.134 1.00 0.00 C ATOM 1030 C LYS A 65 17.327 2.735 4.978 1.00 0.00 C ATOM 1031 O LYS A 65 16.303 3.248 4.528 1.00 0.00 O ATOM 1032 CB LYS A 65 17.178 0.315 5.589 1.00 0.00 C ATOM 1033 CG LYS A 65 16.203 0.159 4.435 1.00 0.00 C ATOM 1034 CD LYS A 65 14.814 -0.213 4.925 1.00 0.00 C ATOM 1035 CE LYS A 65 14.066 -1.050 3.898 1.00 0.00 C ATOM 1036 NZ LYS A 65 14.395 -2.497 4.017 1.00 0.00 N ATOM 0 H LYS A 65 15.280 2.326 6.498 1.00 0.00 H new ATOM 0 HA LYS A 65 18.167 1.846 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.169 0.002 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.883 -0.356 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.153 1.090 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.566 -0.609 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.893 -0.768 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.248 0.693 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.993 -0.910 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.315 -0.702 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.866 -3.033 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.415 -2.634 3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.134 -2.835 4.965 1.00 0.00 H new ATOM 1050 N ASP A 66 18.539 3.001 4.501 1.00 0.00 N ATOM 1051 CA ASP A 66 18.738 3.930 3.395 1.00 0.00 C ATOM 1052 C ASP A 66 18.517 5.370 3.849 1.00 0.00 C ATOM 1053 O ASP A 66 18.025 6.203 3.088 1.00 0.00 O ATOM 1054 CB ASP A 66 17.791 3.595 2.241 1.00 0.00 C ATOM 1055 CG ASP A 66 18.304 4.099 0.906 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.508 3.921 0.627 1.00 0.00 O ATOM 1057 OD2 ASP A 66 17.500 4.670 0.140 1.00 0.00 O ATOM 0 H ASP A 66 19.398 2.586 4.863 1.00 0.00 H new ATOM 0 HA ASP A 66 19.767 3.830 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.653 2.515 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.812 4.032 2.439 1.00 0.00 H new ATOM 1062 N GLY A 67 18.884 5.656 5.094 1.00 0.00 N ATOM 1063 CA GLY A 67 18.717 6.994 5.628 1.00 0.00 C ATOM 1064 C GLY A 67 17.259 7.386 5.767 1.00 0.00 C ATOM 1065 O GLY A 67 16.854 8.466 5.337 1.00 0.00 O ATOM 0 H GLY A 67 19.294 4.984 5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.201 7.056 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.221 7.707 4.976 1.00 0.00 H new ATOM 1069 N LYS A 68 16.467 6.505 6.369 1.00 0.00 N ATOM 1070 CA LYS A 68 15.045 6.762 6.564 1.00 0.00 C ATOM 1071 C LYS A 68 14.708 6.859 8.049 1.00 0.00 C ATOM 1072 O LYS A 68 15.571 6.666 8.906 1.00 0.00 O ATOM 1073 CB LYS A 68 14.212 5.657 5.912 1.00 0.00 C ATOM 1074 CG LYS A 68 14.293 5.648 4.395 1.00 0.00 C ATOM 1075 CD LYS A 68 13.509 6.800 3.789 1.00 0.00 C ATOM 1076 CE LYS A 68 13.354 6.637 2.284 1.00 0.00 C ATOM 1077 NZ LYS A 68 12.869 7.888 1.638 1.00 0.00 N ATOM 0 H LYS A 68 16.786 5.606 6.730 1.00 0.00 H new ATOM 0 HA LYS A 68 14.806 7.715 6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.545 4.691 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.170 5.774 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.336 5.713 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.906 4.703 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.524 6.856 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.017 7.740 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.312 6.351 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.655 5.827 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.921 7.788 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.884 8.065 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.463 8.687 1.939 1.00 0.00 H new ATOM 1091 N LYS A 69 13.448 7.157 8.347 1.00 0.00 N ATOM 1092 CA LYS A 69 12.995 7.277 9.727 1.00 0.00 C ATOM 1093 C LYS A 69 11.720 6.471 9.954 1.00 0.00 C ATOM 1094 O LYS A 69 11.605 5.737 10.936 1.00 0.00 O ATOM 1095 CB LYS A 69 12.752 8.746 10.081 1.00 0.00 C ATOM 1096 CG LYS A 69 14.006 9.602 10.018 1.00 0.00 C ATOM 1097 CD LYS A 69 14.265 10.109 8.609 1.00 0.00 C ATOM 1098 CE LYS A 69 15.678 10.651 8.463 1.00 0.00 C ATOM 1099 NZ LYS A 69 16.704 9.612 8.755 1.00 0.00 N ATOM 0 H LYS A 69 12.722 7.320 7.650 1.00 0.00 H new ATOM 0 HA LYS A 69 13.776 6.878 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.007 9.157 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.332 8.805 11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.904 10.448 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.862 9.020 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.109 9.300 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.547 10.892 8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.820 11.027 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.814 11.496 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.229 9.874 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.237 8.694 8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.363 9.540 7.954 1.00 0.00 H new ATOM 1113 N CYS A 70 10.767 6.612 9.039 1.00 0.00 N ATOM 1114 CA CYS A 70 9.500 5.896 9.139 1.00 0.00 C ATOM 1115 C CYS A 70 9.118 5.277 7.799 1.00 0.00 C ATOM 1116 O CYS A 70 8.568 5.950 6.926 1.00 0.00 O ATOM 1117 CB CYS A 70 8.393 6.839 9.613 1.00 0.00 C ATOM 1118 SG CYS A 70 8.373 7.115 11.400 1.00 0.00 S ATOM 0 H CYS A 70 10.847 7.215 8.220 1.00 0.00 H new ATOM 0 HA CYS A 70 9.621 5.094 9.868 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.508 7.799 9.109 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.429 6.432 9.308 1.00 0.00 H new ATOM 0 HG CYS A 70 8.541 8.380 11.646 1.00 0.00 H new ATOM 1124 N LEU A 71 9.415 3.991 7.640 1.00 0.00 N ATOM 1125 CA LEU A 71 9.105 3.281 6.405 1.00 0.00 C ATOM 1126 C LEU A 71 7.930 2.329 6.605 1.00 0.00 C ATOM 1127 O LEU A 71 7.515 2.066 7.734 1.00 0.00 O ATOM 1128 CB LEU A 71 10.329 2.503 5.919 1.00 0.00 C ATOM 1129 CG LEU A 71 11.478 3.342 5.358 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.777 2.553 5.384 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.160 3.803 3.943 1.00 0.00 C ATOM 0 H LEU A 71 9.870 3.419 8.352 1.00 0.00 H new ATOM 0 HA LEU A 71 8.828 4.018 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.711 1.910 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.007 1.803 5.148 1.00 0.00 H new ATOM 0 HG LEU A 71 11.600 4.224 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.583 3.166 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.012 2.273 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.668 1.653 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.988 4.399 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.011 2.934 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.253 4.407 3.952 1.00 0.00 H new ATOM 1143 N PHE A 72 7.399 1.813 5.501 1.00 0.00 N ATOM 1144 CA PHE A 72 6.272 0.888 5.555 1.00 0.00 C ATOM 1145 C PHE A 72 5.938 0.356 4.165 1.00 0.00 C ATOM 1146 O PHE A 72 5.849 1.118 3.201 1.00 0.00 O ATOM 1147 CB PHE A 72 5.047 1.579 6.158 1.00 0.00 C ATOM 1148 CG PHE A 72 4.364 2.522 5.209 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.476 2.047 4.257 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.609 3.884 5.270 1.00 0.00 C ATOM 1151 CE1 PHE A 72 2.846 2.912 3.383 1.00 0.00 C ATOM 1152 CE2 PHE A 72 3.981 4.755 4.399 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.100 4.268 3.454 1.00 0.00 C ATOM 0 H PHE A 72 7.731 2.019 4.559 1.00 0.00 H new ATOM 0 HA PHE A 72 6.554 0.047 6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.334 0.820 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.351 2.129 7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.274 0.988 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.298 4.270 6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.156 2.529 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.179 5.815 4.458 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.610 4.946 2.771 1.00 0.00 H new ATOM 1163 N LEU A 73 5.755 -0.956 4.068 1.00 0.00 N ATOM 1164 CA LEU A 73 5.431 -1.591 2.796 1.00 0.00 C ATOM 1165 C LEU A 73 4.163 -2.431 2.913 1.00 0.00 C ATOM 1166 O LEU A 73 3.803 -2.882 4.001 1.00 0.00 O ATOM 1167 CB LEU A 73 6.595 -2.468 2.330 1.00 0.00 C ATOM 1168 CG LEU A 73 6.283 -3.457 1.206 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.515 -3.694 0.347 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.768 -4.770 1.779 1.00 0.00 C ATOM 0 H LEU A 73 5.826 -1.601 4.855 1.00 0.00 H new ATOM 0 HA LEU A 73 5.258 -0.805 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.404 -1.817 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.967 -3.029 3.187 1.00 0.00 H new ATOM 0 HG LEU A 73 5.504 -3.028 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.274 -4.400 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.839 -2.751 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.316 -4.101 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.551 -5.462 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.525 -5.204 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.858 -4.586 2.351 1.00 0.00 H new ATOM 1182 N VAL A 74 3.489 -2.637 1.786 1.00 0.00 N ATOM 1183 CA VAL A 74 2.263 -3.425 1.762 1.00 0.00 C ATOM 1184 C VAL A 74 2.471 -4.744 1.025 1.00 0.00 C ATOM 1185 O VAL A 74 2.963 -4.766 -0.104 1.00 0.00 O ATOM 1186 CB VAL A 74 1.112 -2.652 1.092 1.00 0.00 C ATOM 1187 CG1 VAL A 74 -0.087 -3.562 0.871 1.00 0.00 C ATOM 1188 CG2 VAL A 74 0.725 -1.442 1.929 1.00 0.00 C ATOM 0 H VAL A 74 3.772 -2.269 0.878 1.00 0.00 H new ATOM 0 HA VAL A 74 1.998 -3.630 2.799 1.00 0.00 H new ATOM 0 HB VAL A 74 1.454 -2.299 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.890 -2.997 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.201 -4.394 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.433 -3.948 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.090 -0.907 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.403 -1.771 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.585 -0.779 2.030 1.00 0.00 H new ATOM 1198 N LYS A 75 2.093 -5.842 1.670 1.00 0.00 N ATOM 1199 CA LYS A 75 2.236 -7.166 1.077 1.00 0.00 C ATOM 1200 C LYS A 75 0.905 -7.657 0.515 1.00 0.00 C ATOM 1201 O LYS A 75 -0.070 -7.816 1.250 1.00 0.00 O ATOM 1202 CB LYS A 75 2.760 -8.159 2.116 1.00 0.00 C ATOM 1203 CG LYS A 75 2.838 -9.588 1.607 1.00 0.00 C ATOM 1204 CD LYS A 75 4.053 -9.798 0.718 1.00 0.00 C ATOM 1205 CE LYS A 75 5.338 -9.829 1.530 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.351 -10.952 2.507 1.00 0.00 N ATOM 0 H LYS A 75 1.685 -5.841 2.605 1.00 0.00 H new ATOM 0 HA LYS A 75 2.952 -7.095 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.752 -7.843 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.113 -8.129 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.882 -10.274 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.932 -9.826 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.946 -10.733 0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.107 -8.998 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.190 -9.923 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.454 -8.884 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.331 -11.153 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.794 -10.689 3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.937 -11.799 2.068 1.00 0.00 H new ATOM 1220 N CYS A 76 0.872 -7.896 -0.792 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.338 -8.369 -1.453 1.00 0.00 C ATOM 1222 C CYS A 76 -0.157 -9.797 -1.960 1.00 0.00 C ATOM 1223 O CYS A 76 0.923 -10.377 -1.844 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.703 -7.445 -2.616 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.809 -6.073 -2.157 1.00 0.00 S ATOM 0 H CYS A 76 1.670 -7.770 -1.414 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.148 -8.361 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.213 -7.033 -3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.179 -8.035 -3.399 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.222 -10.358 -2.524 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.182 -11.718 -3.048 1.00 0.00 C ATOM 1232 C PHE A 77 0.229 -12.085 -3.500 1.00 0.00 C ATOM 1233 O PHE A 77 0.924 -12.855 -2.836 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.158 -11.865 -4.217 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.547 -12.248 -3.793 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.836 -13.549 -3.413 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.564 -11.307 -3.776 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.113 -13.904 -3.022 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.843 -11.657 -3.385 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.118 -12.957 -3.009 1.00 0.00 C ATOM 0 H PHE A 77 -2.123 -9.892 -2.630 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.477 -12.398 -2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.200 -10.924 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.776 -12.618 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.054 -14.294 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.355 -10.289 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.325 -14.921 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.627 -10.914 -3.374 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.117 -13.233 -2.705 1.00 0.00 H new ATOM 1250 N ASP A 78 0.644 -11.531 -4.634 1.00 0.00 N ATOM 1251 CA ASP A 78 1.971 -11.799 -5.175 1.00 0.00 C ATOM 1252 C ASP A 78 2.734 -10.499 -5.411 1.00 0.00 C ATOM 1253 O ASP A 78 3.965 -10.482 -5.422 1.00 0.00 O ATOM 1254 CB ASP A 78 1.863 -12.586 -6.482 1.00 0.00 C ATOM 1255 CG ASP A 78 3.112 -13.392 -6.777 1.00 0.00 C ATOM 1256 OD1 ASP A 78 4.159 -12.777 -7.070 1.00 0.00 O ATOM 1257 OD2 ASP A 78 3.044 -14.638 -6.717 1.00 0.00 O ATOM 0 H ASP A 78 0.080 -10.893 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 78 2.520 -12.395 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.005 -13.257 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.677 -11.895 -7.304 1.00 0.00 H new ATOM 1262 N LYS A 79 1.995 -9.411 -5.602 1.00 0.00 N ATOM 1263 CA LYS A 79 2.600 -8.106 -5.838 1.00 0.00 C ATOM 1264 C LYS A 79 2.885 -7.392 -4.521 1.00 0.00 C ATOM 1265 O LYS A 79 2.240 -7.658 -3.506 1.00 0.00 O ATOM 1266 CB LYS A 79 1.683 -7.246 -6.709 1.00 0.00 C ATOM 1267 CG LYS A 79 0.391 -6.843 -6.019 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.470 -5.967 -6.914 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.371 -6.803 -7.811 1.00 0.00 C ATOM 1270 NZ LYS A 79 -2.492 -6.001 -8.373 1.00 0.00 N ATOM 0 H LYS A 79 0.975 -9.408 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 79 3.545 -8.260 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.220 -6.347 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.443 -7.794 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.166 -7.737 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.621 -6.308 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.080 -5.305 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.169 -5.333 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.782 -7.225 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.774 -7.641 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.083 -6.606 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.069 -5.619 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.109 -5.216 -8.937 1.00 0.00 H new ATOM 1284 N THR A 80 3.854 -6.482 -4.544 1.00 0.00 N ATOM 1285 CA THR A 80 4.223 -5.729 -3.352 1.00 0.00 C ATOM 1286 C THR A 80 4.334 -4.239 -3.655 1.00 0.00 C ATOM 1287 O THR A 80 4.473 -3.839 -4.811 1.00 0.00 O ATOM 1288 CB THR A 80 5.560 -6.223 -2.767 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.590 -6.135 -3.758 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.440 -7.659 -2.279 1.00 0.00 C ATOM 0 H THR A 80 4.397 -6.249 -5.375 1.00 0.00 H new ATOM 0 HA THR A 80 3.432 -5.890 -2.619 1.00 0.00 H new ATOM 0 HB THR A 80 5.817 -5.588 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.437 -6.449 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.396 -7.986 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.675 -7.717 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.162 -8.304 -3.112 1.00 0.00 H new ATOM 1298 N PHE A 81 4.272 -3.421 -2.609 1.00 0.00 N ATOM 1299 CA PHE A 81 4.365 -1.974 -2.764 1.00 0.00 C ATOM 1300 C PHE A 81 5.056 -1.341 -1.560 1.00 0.00 C ATOM 1301 O PHE A 81 4.528 -1.358 -0.449 1.00 0.00 O ATOM 1302 CB PHE A 81 2.971 -1.368 -2.943 1.00 0.00 C ATOM 1303 CG PHE A 81 2.366 -1.643 -4.290 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.927 -2.914 -4.621 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.238 -0.629 -5.226 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.370 -3.171 -5.860 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.681 -0.879 -6.466 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.247 -2.152 -6.784 1.00 0.00 C ATOM 0 H PHE A 81 4.158 -3.736 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 81 4.961 -1.767 -3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.311 -1.761 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.030 -0.290 -2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.021 -3.715 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.577 0.367 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.032 -4.167 -6.105 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.585 -0.080 -7.186 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.813 -2.349 -7.753 1.00 0.00 H new ATOM 1318 N GLU A 82 6.241 -0.785 -1.790 1.00 0.00 N ATOM 1319 CA GLU A 82 7.006 -0.148 -0.724 1.00 0.00 C ATOM 1320 C GLU A 82 6.809 1.365 -0.743 1.00 0.00 C ATOM 1321 O GLU A 82 7.011 2.015 -1.770 1.00 0.00 O ATOM 1322 CB GLU A 82 8.492 -0.482 -0.862 1.00 0.00 C ATOM 1323 CG GLU A 82 9.265 -0.374 0.442 1.00 0.00 C ATOM 1324 CD GLU A 82 8.823 0.807 1.285 1.00 0.00 C ATOM 1325 OE1 GLU A 82 8.837 1.944 0.769 1.00 0.00 O ATOM 1326 OE2 GLU A 82 8.462 0.593 2.461 1.00 0.00 O ATOM 0 H GLU A 82 6.692 -0.763 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 82 6.642 -0.533 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.593 -1.495 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.939 0.188 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.136 -1.293 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.329 -0.282 0.223 1.00 0.00 H new ATOM 1333 N ILE A 83 6.415 1.919 0.399 1.00 0.00 N ATOM 1334 CA ILE A 83 6.193 3.355 0.514 1.00 0.00 C ATOM 1335 C ILE A 83 6.911 3.927 1.731 1.00 0.00 C ATOM 1336 O ILE A 83 6.982 3.287 2.780 1.00 0.00 O ATOM 1337 CB ILE A 83 4.692 3.685 0.615 1.00 0.00 C ATOM 1338 CG1 ILE A 83 3.929 3.058 -0.554 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.482 5.192 0.644 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.499 2.696 -0.217 1.00 0.00 C ATOM 0 H ILE A 83 6.243 1.395 1.257 1.00 0.00 H new ATOM 0 HA ILE A 83 6.597 3.811 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 83 4.305 3.265 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.931 3.753 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.455 2.161 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.416 5.410 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.997 5.615 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.882 5.633 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.019 2.257 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.489 1.977 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.957 3.593 0.082 1.00 0.00 H new ATOM 1352 N SER A 84 7.442 5.137 1.584 1.00 0.00 N ATOM 1353 CA SER A 84 8.157 5.795 2.670 1.00 0.00 C ATOM 1354 C SER A 84 7.409 7.040 3.137 1.00 0.00 C ATOM 1355 O SER A 84 6.767 7.726 2.342 1.00 0.00 O ATOM 1356 CB SER A 84 9.571 6.173 2.224 1.00 0.00 C ATOM 1357 OG SER A 84 10.286 6.801 3.273 1.00 0.00 O ATOM 0 H SER A 84 7.390 5.681 0.723 1.00 0.00 H new ATOM 0 HA SER A 84 8.222 5.097 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.105 5.279 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.518 6.842 1.365 1.00 0.00 H new ATOM 0 HG SER A 84 10.276 7.772 3.140 1.00 0.00 H new ATOM 1363 N ALA A 85 7.498 7.325 4.432 1.00 0.00 N ATOM 1364 CA ALA A 85 6.832 8.488 5.006 1.00 0.00 C ATOM 1365 C ALA A 85 7.846 9.492 5.543 1.00 0.00 C ATOM 1366 O ALA A 85 8.916 9.114 6.020 1.00 0.00 O ATOM 1367 CB ALA A 85 5.877 8.058 6.109 1.00 0.00 C ATOM 0 H ALA A 85 8.025 6.766 5.104 1.00 0.00 H new ATOM 0 HA ALA A 85 6.261 8.976 4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.387 8.936 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.125 7.385 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.434 7.544 6.893 1.00 0.00 H new ATOM 1373 N SER A 86 7.503 10.774 5.461 1.00 0.00 N ATOM 1374 CA SER A 86 8.386 11.833 5.934 1.00 0.00 C ATOM 1375 C SER A 86 8.378 11.907 7.458 1.00 0.00 C ATOM 1376 O SER A 86 9.418 11.769 8.103 1.00 0.00 O ATOM 1377 CB SER A 86 7.964 13.180 5.345 1.00 0.00 C ATOM 1378 OG SER A 86 8.612 13.423 4.109 1.00 0.00 O ATOM 0 H SER A 86 6.620 11.104 5.071 1.00 0.00 H new ATOM 0 HA SER A 86 9.399 11.602 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.884 13.195 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.203 13.978 6.047 1.00 0.00 H new ATOM 0 HG SER A 86 8.324 14.289 3.753 1.00 0.00 H new ATOM 1384 N ASP A 87 7.198 12.125 8.027 1.00 0.00 N ATOM 1385 CA ASP A 87 7.052 12.216 9.475 1.00 0.00 C ATOM 1386 C ASP A 87 6.232 11.047 10.013 1.00 0.00 C ATOM 1387 O ASP A 87 5.302 10.573 9.360 1.00 0.00 O ATOM 1388 CB ASP A 87 6.389 13.539 9.860 1.00 0.00 C ATOM 1389 CG ASP A 87 7.382 14.682 9.941 1.00 0.00 C ATOM 1390 OD1 ASP A 87 8.307 14.607 10.777 1.00 0.00 O ATOM 1391 OD2 ASP A 87 7.235 15.651 9.168 1.00 0.00 O ATOM 0 H ASP A 87 6.328 12.242 7.507 1.00 0.00 H new ATOM 0 HA ASP A 87 8.047 12.174 9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.618 13.782 9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.890 13.426 10.823 1.00 0.00 H new ATOM 1396 N LYS A 88 6.584 10.585 11.208 1.00 0.00 N ATOM 1397 CA LYS A 88 5.882 9.471 11.836 1.00 0.00 C ATOM 1398 C LYS A 88 4.375 9.602 11.645 1.00 0.00 C ATOM 1399 O LYS A 88 3.688 8.622 11.354 1.00 0.00 O ATOM 1400 CB LYS A 88 6.215 9.408 13.328 1.00 0.00 C ATOM 1401 CG LYS A 88 5.967 8.045 13.949 1.00 0.00 C ATOM 1402 CD LYS A 88 6.247 8.053 15.443 1.00 0.00 C ATOM 1403 CE LYS A 88 6.496 6.648 15.971 1.00 0.00 C ATOM 1404 NZ LYS A 88 5.226 5.893 16.159 1.00 0.00 N ATOM 0 H LYS A 88 7.352 10.965 11.762 1.00 0.00 H new ATOM 0 HA LYS A 88 6.212 8.549 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.262 9.678 13.470 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.620 10.153 13.856 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.933 7.747 13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.600 7.302 13.463 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.115 8.679 15.648 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.402 8.497 15.970 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.140 6.108 15.277 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.028 6.706 16.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.438 4.941 16.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.622 6.395 16.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.730 5.815 15.248 1.00 0.00 H new ATOM 1418 N LYS A 89 3.865 10.818 11.810 1.00 0.00 N ATOM 1419 CA LYS A 89 2.439 11.078 11.653 1.00 0.00 C ATOM 1420 C LYS A 89 1.892 10.382 10.411 1.00 0.00 C ATOM 1421 O LYS A 89 0.955 9.588 10.494 1.00 0.00 O ATOM 1422 CB LYS A 89 2.181 12.584 11.562 1.00 0.00 C ATOM 1423 CG LYS A 89 0.805 12.996 12.055 1.00 0.00 C ATOM 1424 CD LYS A 89 0.800 13.241 13.555 1.00 0.00 C ATOM 1425 CE LYS A 89 1.107 14.694 13.884 1.00 0.00 C ATOM 1426 NZ LYS A 89 2.573 14.946 13.967 1.00 0.00 N ATOM 0 H LYS A 89 4.419 11.640 12.053 1.00 0.00 H new ATOM 0 HA LYS A 89 1.924 10.679 12.527 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.938 13.110 12.143 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.297 12.902 10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.488 13.901 11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.082 12.218 11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.173 12.972 13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.537 12.595 14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.670 15.339 13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.639 14.959 14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.747 15.799 14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.041 14.131 14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.956 15.085 13.010 1.00 0.00 H new ATOM 1440 N LYS A 90 2.484 10.684 9.260 1.00 0.00 N ATOM 1441 CA LYS A 90 2.058 10.085 8.001 1.00 0.00 C ATOM 1442 C LYS A 90 2.117 8.563 8.074 1.00 0.00 C ATOM 1443 O LYS A 90 1.105 7.883 7.905 1.00 0.00 O ATOM 1444 CB LYS A 90 2.938 10.586 6.852 1.00 0.00 C ATOM 1445 CG LYS A 90 2.365 11.793 6.129 1.00 0.00 C ATOM 1446 CD LYS A 90 2.275 13.001 7.047 1.00 0.00 C ATOM 1447 CE LYS A 90 2.258 14.300 6.256 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.622 14.691 5.802 1.00 0.00 N ATOM 0 H LYS A 90 3.260 11.340 9.173 1.00 0.00 H new ATOM 0 HA LYS A 90 1.025 10.382 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.922 10.841 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.080 9.777 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.990 12.034 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.374 11.552 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.373 12.932 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.122 13.002 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.605 14.190 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.839 15.095 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.568 15.581 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.239 14.821 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.013 13.944 5.193 1.00 0.00 H new ATOM 1462 N LYS A 91 3.309 8.033 8.329 1.00 0.00 N ATOM 1463 CA LYS A 91 3.500 6.591 8.428 1.00 0.00 C ATOM 1464 C LYS A 91 2.360 5.943 9.206 1.00 0.00 C ATOM 1465 O LYS A 91 1.588 5.159 8.655 1.00 0.00 O ATOM 1466 CB LYS A 91 4.837 6.279 9.105 1.00 0.00 C ATOM 1467 CG LYS A 91 5.099 4.792 9.276 1.00 0.00 C ATOM 1468 CD LYS A 91 4.411 4.244 10.515 1.00 0.00 C ATOM 1469 CE LYS A 91 5.151 3.038 11.075 1.00 0.00 C ATOM 1470 NZ LYS A 91 4.483 2.493 12.289 1.00 0.00 N ATOM 0 H LYS A 91 4.157 8.581 8.471 1.00 0.00 H new ATOM 0 HA LYS A 91 3.506 6.180 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.644 6.716 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.860 6.759 10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.746 4.256 8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.172 4.616 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.354 5.023 11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.387 3.962 10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.209 2.261 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.175 3.321 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.017 1.673 12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.450 3.226 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.515 2.199 12.050 1.00 0.00 H new ATOM 1484 N GLN A 92 2.261 6.277 10.489 1.00 0.00 N ATOM 1485 CA GLN A 92 1.213 5.727 11.342 1.00 0.00 C ATOM 1486 C GLN A 92 -0.160 5.908 10.703 1.00 0.00 C ATOM 1487 O GLN A 92 -0.782 4.941 10.264 1.00 0.00 O ATOM 1488 CB GLN A 92 1.242 6.398 12.716 1.00 0.00 C ATOM 1489 CG GLN A 92 0.201 5.853 13.681 1.00 0.00 C ATOM 1490 CD GLN A 92 0.566 6.095 15.132 1.00 0.00 C ATOM 1491 OE1 GLN A 92 1.285 5.303 15.743 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.072 7.192 15.692 1.00 0.00 N ATOM 0 H GLN A 92 2.893 6.925 10.960 1.00 0.00 H new ATOM 0 HA GLN A 92 1.399 4.660 11.462 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.232 6.270 13.153 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.084 7.469 12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.762 6.318 13.470 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.082 4.782 13.514 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.519 7.820 15.148 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.284 7.407 16.666 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.626 7.152 10.656 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.927 7.458 10.072 1.00 0.00 C ATOM 1503 C GLU A 93 -2.197 6.578 8.855 1.00 0.00 C ATOM 1504 O GLU A 93 -3.199 5.865 8.802 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.997 8.933 9.673 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.184 9.874 10.852 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.645 10.113 11.181 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.327 10.799 10.392 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -4.105 9.614 12.230 1.00 0.00 O ATOM 0 H GLU A 93 -0.123 7.963 11.015 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.691 7.255 10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.082 9.202 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.821 9.073 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.682 9.460 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.704 10.828 10.631 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.297 6.634 7.880 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.438 5.842 6.663 1.00 0.00 C ATOM 1518 C TRP A 94 -1.708 4.379 6.994 1.00 0.00 C ATOM 1519 O TRP A 94 -2.796 3.864 6.735 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.178 5.960 5.804 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.225 7.103 4.835 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.329 8.340 4.999 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.862 7.113 3.553 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.075 9.119 3.896 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.654 8.389 2.994 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.587 6.168 2.822 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.145 8.742 1.740 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.074 6.519 1.577 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.851 7.797 1.046 1.00 0.00 C ATOM 0 H TRP A 94 -0.462 7.219 7.908 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.288 6.231 6.103 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.687 6.081 6.456 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.035 5.031 5.252 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.885 8.659 5.868 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.380 10.084 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.764 5.181 3.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.975 9.726 1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.636 5.796 1.004 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.244 8.041 0.070 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.711 3.713 7.568 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.842 2.309 7.935 1.00 0.00 C ATOM 1542 C ILE A 95 -2.177 2.043 8.623 1.00 0.00 C ATOM 1543 O ILE A 95 -2.884 1.096 8.280 1.00 0.00 O ATOM 1544 CB ILE A 95 0.300 1.861 8.865 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.651 2.019 8.164 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.091 0.419 9.304 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.800 1.387 8.916 1.00 0.00 C ATOM 0 H ILE A 95 0.196 4.124 7.789 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.792 1.735 7.010 1.00 0.00 H new ATOM 0 HB ILE A 95 0.296 2.495 9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.590 1.575 7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.858 3.080 8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.907 0.117 9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.855 0.335 9.838 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.072 -0.229 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.725 1.538 8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.888 1.848 9.900 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.616 0.319 9.031 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.515 2.886 9.593 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.766 2.742 10.328 1.00 0.00 C ATOM 1561 C GLN A 96 -4.961 2.773 9.381 1.00 0.00 C ATOM 1562 O GLN A 96 -5.879 1.963 9.498 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.899 3.853 11.372 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.037 3.635 12.605 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.139 4.776 13.597 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.113 5.948 13.218 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -3.257 4.440 14.876 1.00 0.00 N ATOM 0 H GLN A 96 -1.941 3.675 9.888 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.752 1.777 10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.630 4.805 10.914 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.942 3.930 11.677 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.335 2.707 13.093 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.997 3.515 12.300 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.274 3.456 15.145 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.330 5.165 15.589 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.941 3.713 8.442 1.00 0.00 N ATOM 1577 CA ALA A 97 -6.022 3.848 7.473 1.00 0.00 C ATOM 1578 C ALA A 97 -6.106 2.623 6.569 1.00 0.00 C ATOM 1579 O ALA A 97 -7.152 1.980 6.475 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.831 5.108 6.641 1.00 0.00 C ATOM 0 H ALA A 97 -4.188 4.392 8.332 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.960 3.927 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.645 5.196 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.829 5.980 7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.881 5.052 6.109 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.998 2.305 5.907 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.948 1.157 5.011 1.00 0.00 C ATOM 1588 C ILE A 98 -5.350 -0.123 5.735 1.00 0.00 C ATOM 1589 O ILE A 98 -6.234 -0.853 5.285 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.541 0.973 4.411 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.088 2.257 3.714 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.530 -0.196 3.437 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.586 2.374 3.578 1.00 0.00 C ATOM 0 H ILE A 98 -4.124 2.826 5.975 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.656 1.354 4.206 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.843 0.755 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.539 2.301 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.462 3.115 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.529 -0.314 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.815 -1.109 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.238 -0.004 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.338 3.309 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.129 2.362 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.207 1.536 2.994 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.697 -0.390 6.862 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.989 -1.581 7.651 1.00 0.00 C ATOM 1607 C HIS A 99 -6.488 -1.712 7.903 1.00 0.00 C ATOM 1608 O HIS A 99 -7.093 -2.736 7.586 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.238 -1.533 8.982 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.072 -2.876 9.625 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.984 -3.207 10.406 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.864 -3.974 9.600 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -3.114 -4.451 10.832 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.246 -4.938 10.358 1.00 0.00 N ATOM 0 H HIS A 99 -3.962 0.202 7.249 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.656 -2.452 7.086 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.254 -1.093 8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.772 -0.875 9.667 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.806 -4.073 9.081 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.413 -4.980 11.461 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.604 -5.878 10.527 1.00 0.00 H new ATOM 1623 N SER A 100 -7.080 -0.669 8.476 1.00 0.00 N ATOM 1624 CA SER A 100 -8.508 -0.670 8.775 1.00 0.00 C ATOM 1625 C SER A 100 -9.327 -0.909 7.511 1.00 0.00 C ATOM 1626 O SER A 100 -10.303 -1.659 7.521 1.00 0.00 O ATOM 1627 CB SER A 100 -8.916 0.657 9.419 1.00 0.00 C ATOM 1628 OG SER A 100 -8.320 0.809 10.695 1.00 0.00 O ATOM 0 H SER A 100 -6.594 0.187 8.742 1.00 0.00 H new ATOM 0 HA SER A 100 -8.708 -1.482 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.619 1.484 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.001 0.701 9.513 1.00 0.00 H new ATOM 0 HG SER A 100 -7.421 1.186 10.593 1.00 0.00 H new ATOM 1634 N THR A 101 -8.923 -0.264 6.421 1.00 0.00 N ATOM 1635 CA THR A 101 -9.620 -0.403 5.148 1.00 0.00 C ATOM 1636 C THR A 101 -9.764 -1.870 4.758 1.00 0.00 C ATOM 1637 O THR A 101 -10.818 -2.295 4.285 1.00 0.00 O ATOM 1638 CB THR A 101 -8.885 0.346 4.020 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.701 1.719 4.383 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.664 0.260 2.716 1.00 0.00 C ATOM 0 H THR A 101 -8.117 0.360 6.394 1.00 0.00 H new ATOM 0 HA THR A 101 -10.610 0.035 5.280 1.00 0.00 H new ATOM 0 HB THR A 101 -7.912 -0.124 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.916 1.801 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.126 0.796 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.777 -0.785 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.649 0.707 2.850 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.699 -2.638 4.959 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.708 -4.058 4.630 1.00 0.00 C ATOM 1650 C ILE A 102 -9.578 -4.843 5.606 1.00 0.00 C ATOM 1651 O ILE A 102 -10.220 -5.825 5.232 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.286 -4.648 4.640 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.363 -3.827 3.736 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.312 -6.103 4.197 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.893 -4.039 4.021 1.00 0.00 C ATOM 0 H ILE A 102 -7.819 -2.301 5.348 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.122 -4.146 3.625 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.899 -4.606 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.564 -4.084 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.599 -2.769 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.299 -6.505 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.940 -6.679 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.716 -6.169 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.299 -3.426 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.677 -3.754 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.642 -5.090 3.875 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.597 -4.402 6.860 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.391 -5.061 7.891 1.00 0.00 C ATOM 1669 C HIS A 103 -11.847 -5.194 7.453 1.00 0.00 C ATOM 1670 O HIS A 103 -12.509 -6.187 7.757 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.310 -4.282 9.204 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.226 -4.804 10.268 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.577 -4.879 10.314 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.773 -5.328 11.460 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.912 -5.442 11.521 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.805 -5.704 12.193 1.00 0.00 N flip ATOM 0 H HIS A 103 -9.072 -3.591 7.187 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.983 -6.060 8.045 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.284 -4.312 9.572 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.549 -3.236 9.012 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.736 -5.417 11.749 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.917 -5.639 11.865 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.756 -6.125 13.121 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.339 -4.188 6.739 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.717 -4.192 6.260 1.00 0.00 C ATOM 1687 C LEU A 104 -13.900 -5.208 5.137 1.00 0.00 C ATOM 1688 O LEU A 104 -14.953 -5.837 5.021 1.00 0.00 O ATOM 1689 CB LEU A 104 -14.111 -2.797 5.771 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.780 -1.638 6.711 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.998 -0.305 6.012 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.620 -1.722 7.978 1.00 0.00 C ATOM 0 H LEU A 104 -11.805 -3.359 6.479 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.364 -4.476 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.618 -2.616 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.184 -2.790 5.582 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.729 -1.711 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.757 0.508 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.353 -0.244 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -15.040 -0.223 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.371 -0.889 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.677 -1.675 7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.414 -2.662 8.490 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.869 -5.365 4.315 1.00 0.00 N ATOM 1705 CA LEU A 105 -12.915 -6.307 3.202 1.00 0.00 C ATOM 1706 C LEU A 105 -13.083 -7.737 3.705 1.00 0.00 C ATOM 1707 O LEU A 105 -13.600 -8.600 2.995 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.641 -6.196 2.362 1.00 0.00 C ATOM 1709 CG LEU A 105 -11.682 -5.191 1.210 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.281 -4.694 0.886 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -12.326 -5.814 -0.019 1.00 0.00 C ATOM 0 H LEU A 105 -11.991 -4.853 4.398 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.775 -6.057 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.816 -5.928 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.414 -7.180 1.952 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.286 -4.338 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.329 -3.980 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.855 -4.208 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.653 -5.537 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.346 -5.084 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.749 -6.685 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.345 -6.120 0.220 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.646 -7.980 4.936 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.751 -9.305 5.537 1.00 0.00 C ATOM 1725 C LYS A 106 -14.181 -9.586 5.987 1.00 0.00 C ATOM 1726 O LYS A 106 -14.708 -10.678 5.768 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.798 -9.423 6.729 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.351 -9.652 6.329 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.601 -8.340 6.172 1.00 0.00 C ATOM 1730 CE LYS A 106 -8.138 -8.484 6.563 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.586 -7.218 7.120 1.00 0.00 N ATOM 0 H LYS A 106 -12.216 -7.277 5.537 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.474 -10.042 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.862 -8.513 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.125 -10.245 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.857 -10.266 7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.315 -10.207 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.671 -8.001 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.070 -7.575 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.036 -9.280 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.556 -8.781 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.693 -6.988 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.268 -6.447 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.412 -7.334 8.139 1.00 0.00 H new