USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 90 THR OG1 : rot 180:sc= -0.305 USER MOD Set 1.2: A 93 GLN : amide:sc= -1.86 X(o=-2.2,f=-2.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= -0.947 (180deg=-1.35) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 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 49 TYR OH : rot 73:sc= -9.82! USER MOD Single : A 53 SER OG : rot 180:sc= -4.23! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0718) USER MOD Single : A 69 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.54) USER MOD Single : A 81 ASN :FLIP amide:sc= -1.7 F(o=-2.2!,f=-1.7) USER MOD Single : A 82 ASN : amide:sc= -2.89! C(o=-2.9!,f=-9.5!) USER MOD Single : A 87 THR OG1 : rot -92:sc= 0.146 USER MOD Single : A 88 SER OG : rot -54:sc= 0.398 USER MOD Single : A 91 MET CE :methyl -164:sc= -16.3! (180deg=-19.8!) USER MOD Single : A 95 TYR OH : rot -130:sc= -1.72! USER MOD Single : A 96 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.0098) USER MOD Single : A 98 HIS : no HD1:sc= -7.93! C(o=-7.9!,f=-7.5!) USER MOD Single : A 99 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-7.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -151:sc= -2.64! USER MOD Single : A 110 SER OG : rot -148:sc= -5.34! USER MOD Single : A 113 SER OG : rot -37:sc= 0.6 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -2.471 13.324 12.527 1.00 0.00 N ATOM 2 CA GLY A 18 -3.077 13.911 11.298 1.00 0.00 C ATOM 3 C GLY A 18 -2.667 15.380 11.172 1.00 0.00 C ATOM 4 O GLY A 18 -2.162 15.806 10.154 1.00 0.00 O ATOM 0 HA2 GLY A 18 -2.750 13.356 10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.163 13.829 11.342 1.00 0.00 H new ATOM 8 N GLU A 19 -2.879 16.155 12.199 1.00 0.00 N ATOM 9 CA GLU A 19 -2.501 17.593 12.136 1.00 0.00 C ATOM 10 C GLU A 19 -0.999 17.727 11.861 1.00 0.00 C ATOM 11 O GLU A 19 -0.581 18.458 10.986 1.00 0.00 O ATOM 12 CB GLU A 19 -2.867 18.147 13.518 1.00 0.00 C ATOM 13 CG GLU A 19 -2.026 19.387 13.823 1.00 0.00 C ATOM 14 CD GLU A 19 -2.805 20.318 14.754 1.00 0.00 C ATOM 15 OE1 GLU A 19 -3.256 19.851 15.787 1.00 0.00 O ATOM 16 OE2 GLU A 19 -2.936 21.484 14.419 1.00 0.00 O ATOM 0 H GLU A 19 -3.298 15.854 13.079 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.010 18.133 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.927 18.400 13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.698 17.386 14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.085 19.095 14.288 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.777 19.906 12.898 1.00 0.00 H new ATOM 23 N LYS A 20 -0.187 17.030 12.605 1.00 0.00 N ATOM 24 CA LYS A 20 1.286 17.121 12.389 1.00 0.00 C ATOM 25 C LYS A 20 1.705 16.299 11.166 1.00 0.00 C ATOM 26 O LYS A 20 2.770 16.492 10.615 1.00 0.00 O ATOM 27 CB LYS A 20 1.911 16.544 13.660 1.00 0.00 C ATOM 28 CG LYS A 20 3.193 17.310 13.990 1.00 0.00 C ATOM 29 CD LYS A 20 2.869 18.459 14.944 1.00 0.00 C ATOM 30 CE LYS A 20 3.010 19.792 14.207 1.00 0.00 C ATOM 31 NZ LYS A 20 2.407 20.801 15.121 1.00 0.00 N ATOM 0 H LYS A 20 -0.478 16.401 13.353 1.00 0.00 H new ATOM 0 HA LYS A 20 1.607 18.146 12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.207 16.617 14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.132 15.486 13.521 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.923 16.640 14.445 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.643 17.698 13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.855 18.350 15.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.541 18.433 15.802 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.056 20.021 14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.493 19.769 13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.466 21.743 14.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.410 20.561 15.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.924 20.804 16.024 1.00 0.00 H new ATOM 45 N ILE A 21 0.881 15.383 10.734 1.00 0.00 N ATOM 46 CA ILE A 21 1.247 14.558 9.548 1.00 0.00 C ATOM 47 C ILE A 21 1.166 15.403 8.273 1.00 0.00 C ATOM 48 O ILE A 21 1.811 15.115 7.284 1.00 0.00 O ATOM 49 CB ILE A 21 0.219 13.419 9.524 1.00 0.00 C ATOM 50 CG1 ILE A 21 0.658 12.307 10.485 1.00 0.00 C ATOM 51 CG2 ILE A 21 0.112 12.842 8.109 1.00 0.00 C ATOM 52 CD1 ILE A 21 1.130 12.915 11.809 1.00 0.00 C ATOM 0 H ILE A 21 -0.026 15.171 11.149 1.00 0.00 H new ATOM 0 HA ILE A 21 2.266 14.176 9.603 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.750 13.812 9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.171 11.622 10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.462 11.724 10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.620 12.034 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.204 13.625 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.083 12.456 7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.440 12.118 12.485 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.972 13.582 11.624 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.314 13.479 12.262 1.00 0.00 H new ATOM 64 N ARG A 22 0.382 16.445 8.286 1.00 0.00 N ATOM 65 CA ARG A 22 0.268 17.303 7.073 1.00 0.00 C ATOM 66 C ARG A 22 1.258 18.464 7.158 1.00 0.00 C ATOM 67 O ARG A 22 2.003 18.722 6.235 1.00 0.00 O ATOM 68 CB ARG A 22 -1.175 17.812 7.074 1.00 0.00 C ATOM 69 CG ARG A 22 -2.146 16.623 7.096 1.00 0.00 C ATOM 70 CD ARG A 22 -1.642 15.515 6.164 1.00 0.00 C ATOM 71 NE ARG A 22 -1.712 16.103 4.797 1.00 0.00 N ATOM 72 CZ ARG A 22 -2.175 15.394 3.805 1.00 0.00 C ATOM 73 NH1 ARG A 22 -3.443 15.087 3.755 1.00 0.00 N ATOM 74 NH2 ARG A 22 -1.369 14.990 2.860 1.00 0.00 N ATOM 0 H ARG A 22 -0.184 16.739 9.082 1.00 0.00 H new ATOM 0 HA ARG A 22 0.498 16.759 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.345 18.448 7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.355 18.424 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.241 16.239 8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.139 16.948 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.623 15.220 6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.261 14.621 6.242 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.398 17.060 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.073 15.402 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.803 14.532 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.378 15.229 2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.730 14.435 2.084 1.00 0.00 H new ATOM 86 N LYS A 23 1.287 19.159 8.260 1.00 0.00 N ATOM 87 CA LYS A 23 2.248 20.287 8.390 1.00 0.00 C ATOM 88 C LYS A 23 3.659 19.779 8.094 1.00 0.00 C ATOM 89 O LYS A 23 4.465 20.458 7.489 1.00 0.00 O ATOM 90 CB LYS A 23 2.133 20.747 9.844 1.00 0.00 C ATOM 91 CG LYS A 23 0.963 21.722 9.981 1.00 0.00 C ATOM 92 CD LYS A 23 1.114 22.523 11.275 1.00 0.00 C ATOM 93 CE LYS A 23 0.393 23.866 11.133 1.00 0.00 C ATOM 94 NZ LYS A 23 1.431 24.809 10.635 1.00 0.00 N ATOM 0 H LYS A 23 0.691 18.996 9.071 1.00 0.00 H new ATOM 0 HA LYS A 23 2.039 21.103 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.982 19.888 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.059 21.228 10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.936 22.396 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.020 21.176 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.699 21.962 12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.169 22.686 11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.442 23.794 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.016 24.197 12.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.012 25.753 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.210 24.862 11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.797 24.472 9.722 1.00 0.00 H new ATOM 108 N LYS A 24 3.957 18.576 8.508 1.00 0.00 N ATOM 109 CA LYS A 24 5.305 18.006 8.244 1.00 0.00 C ATOM 110 C LYS A 24 5.316 17.344 6.869 1.00 0.00 C ATOM 111 O LYS A 24 6.189 17.579 6.057 1.00 0.00 O ATOM 112 CB LYS A 24 5.544 16.955 9.335 1.00 0.00 C ATOM 113 CG LYS A 24 5.128 17.501 10.701 1.00 0.00 C ATOM 114 CD LYS A 24 6.314 18.213 11.353 1.00 0.00 C ATOM 115 CE LYS A 24 6.460 17.741 12.802 1.00 0.00 C ATOM 116 NZ LYS A 24 7.185 16.444 12.710 1.00 0.00 N ATOM 0 H LYS A 24 3.321 17.964 9.019 1.00 0.00 H new ATOM 0 HA LYS A 24 6.080 18.773 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.977 16.052 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.597 16.674 9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.293 18.193 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.784 16.687 11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.228 18.003 10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.164 19.292 11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.017 18.464 13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.487 17.617 13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.324 16.056 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.628 15.775 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.110 16.595 12.259 1.00 0.00 H new ATOM 130 N TYR A 25 4.349 16.506 6.607 1.00 0.00 N ATOM 131 CA TYR A 25 4.300 15.815 5.288 1.00 0.00 C ATOM 132 C TYR A 25 3.070 16.268 4.493 1.00 0.00 C ATOM 133 O TYR A 25 2.211 15.470 4.172 1.00 0.00 O ATOM 134 CB TYR A 25 4.197 14.328 5.631 1.00 0.00 C ATOM 135 CG TYR A 25 5.130 13.995 6.774 1.00 0.00 C ATOM 136 CD1 TYR A 25 6.509 14.187 6.631 1.00 0.00 C ATOM 137 CD2 TYR A 25 4.613 13.495 7.974 1.00 0.00 C ATOM 138 CE1 TYR A 25 7.372 13.878 7.690 1.00 0.00 C ATOM 139 CE2 TYR A 25 5.475 13.186 9.033 1.00 0.00 C ATOM 140 CZ TYR A 25 6.854 13.378 8.891 1.00 0.00 C ATOM 141 OH TYR A 25 7.705 13.074 9.935 1.00 0.00 O ATOM 0 H TYR A 25 3.592 16.271 7.249 1.00 0.00 H new ATOM 0 HA TYR A 25 5.172 16.037 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.171 14.079 5.904 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.449 13.727 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.907 14.573 5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.549 13.347 8.083 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.436 14.025 7.580 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.076 12.800 9.959 1.00 0.00 H new ATOM 0 HH TYR A 25 7.184 12.739 10.695 1.00 0.00 H new ATOM 151 N PRO A 26 3.027 17.541 4.201 1.00 0.00 N ATOM 152 CA PRO A 26 1.886 18.110 3.439 1.00 0.00 C ATOM 153 C PRO A 26 1.902 17.611 1.993 1.00 0.00 C ATOM 154 O PRO A 26 0.871 17.454 1.369 1.00 0.00 O ATOM 155 CB PRO A 26 2.129 19.616 3.504 1.00 0.00 C ATOM 156 CG PRO A 26 3.599 19.757 3.729 1.00 0.00 C ATOM 157 CD PRO A 26 4.027 18.560 4.537 1.00 0.00 C ATOM 0 HA PRO A 26 0.915 17.823 3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.822 20.106 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.559 20.074 4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.134 19.796 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.823 20.683 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.034 18.237 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.033 18.779 5.605 1.00 0.00 H new ATOM 165 N ASP A 27 3.062 17.356 1.457 1.00 0.00 N ATOM 166 CA ASP A 27 3.141 16.863 0.053 1.00 0.00 C ATOM 167 C ASP A 27 3.435 15.362 0.040 1.00 0.00 C ATOM 168 O ASP A 27 3.928 14.825 -0.932 1.00 0.00 O ATOM 169 CB ASP A 27 4.296 17.643 -0.578 1.00 0.00 C ATOM 170 CG ASP A 27 3.897 18.098 -1.983 1.00 0.00 C ATOM 171 OD1 ASP A 27 2.801 17.766 -2.403 1.00 0.00 O ATOM 172 OD2 ASP A 27 4.696 18.770 -2.616 1.00 0.00 O ATOM 0 H ASP A 27 3.959 17.467 1.930 1.00 0.00 H new ATOM 0 HA ASP A 27 2.208 17.010 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.545 18.507 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.188 17.018 -0.626 1.00 0.00 H new ATOM 177 N ARG A 28 3.142 14.679 1.115 1.00 0.00 N ATOM 178 CA ARG A 28 3.414 13.212 1.160 1.00 0.00 C ATOM 179 C ARG A 28 2.134 12.422 0.870 1.00 0.00 C ATOM 180 O ARG A 28 1.153 12.961 0.398 1.00 0.00 O ATOM 181 CB ARG A 28 3.894 12.946 2.585 1.00 0.00 C ATOM 182 CG ARG A 28 5.416 13.101 2.650 1.00 0.00 C ATOM 183 CD ARG A 28 5.803 14.524 2.243 1.00 0.00 C ATOM 184 NE ARG A 28 7.284 14.488 2.084 1.00 0.00 N ATOM 185 CZ ARG A 28 7.844 15.070 1.059 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.775 14.520 -0.122 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.475 16.202 1.215 1.00 0.00 N ATOM 0 H ARG A 28 2.728 15.071 1.961 1.00 0.00 H new ATOM 0 HA ARG A 28 4.148 12.906 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.417 13.641 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.607 11.941 2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.771 12.891 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.894 12.379 1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.313 14.816 1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.505 15.247 3.002 1.00 0.00 H new ATOM 0 HE ARG A 28 7.860 14.009 2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.283 13.635 -0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.213 14.975 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.530 16.632 2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.913 16.657 0.414 1.00 0.00 H new ATOM 199 N VAL A 29 2.138 11.147 1.155 1.00 0.00 N ATOM 200 CA VAL A 29 0.924 10.321 0.899 1.00 0.00 C ATOM 201 C VAL A 29 0.755 9.268 2.001 1.00 0.00 C ATOM 202 O VAL A 29 1.455 8.272 2.025 1.00 0.00 O ATOM 203 CB VAL A 29 1.177 9.650 -0.457 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.272 8.424 -0.608 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.871 10.643 -1.581 1.00 0.00 C ATOM 0 H VAL A 29 2.930 10.643 1.554 1.00 0.00 H new ATOM 0 HA VAL A 29 0.012 10.919 0.892 1.00 0.00 H new ATOM 0 HB VAL A 29 2.220 9.338 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.457 7.952 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.486 7.713 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.772 8.733 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.050 10.168 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.172 10.954 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.516 11.516 -1.481 1.00 0.00 H new ATOM 215 N PRO A 30 -0.182 9.528 2.875 1.00 0.00 N ATOM 216 CA PRO A 30 -0.471 8.596 3.988 1.00 0.00 C ATOM 217 C PRO A 30 -1.311 7.421 3.480 1.00 0.00 C ATOM 218 O PRO A 30 -2.529 7.454 3.504 1.00 0.00 O ATOM 219 CB PRO A 30 -1.270 9.447 4.968 1.00 0.00 C ATOM 220 CG PRO A 30 -1.898 10.524 4.137 1.00 0.00 C ATOM 221 CD PRO A 30 -1.046 10.711 2.905 1.00 0.00 C ATOM 0 HA PRO A 30 0.424 8.167 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.027 8.852 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.625 9.870 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.915 10.248 3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.962 11.454 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.658 10.779 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.461 11.629 2.962 1.00 0.00 H new ATOM 229 N VAL A 31 -0.674 6.390 3.000 1.00 0.00 N ATOM 230 CA VAL A 31 -1.430 5.227 2.473 1.00 0.00 C ATOM 231 C VAL A 31 -1.837 4.280 3.608 1.00 0.00 C ATOM 232 O VAL A 31 -1.100 4.070 4.553 1.00 0.00 O ATOM 233 CB VAL A 31 -0.466 4.530 1.500 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.395 5.563 0.767 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.448 3.557 2.251 1.00 0.00 C ATOM 0 H VAL A 31 0.341 6.305 2.951 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.354 5.532 1.983 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.063 3.976 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.072 5.052 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.248 6.239 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.975 6.134 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.123 3.073 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.030 4.104 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.158 2.801 2.750 1.00 0.00 H new ATOM 245 N ILE A 32 -2.995 3.689 3.506 1.00 0.00 N ATOM 246 CA ILE A 32 -3.443 2.734 4.558 1.00 0.00 C ATOM 247 C ILE A 32 -3.137 1.310 4.091 1.00 0.00 C ATOM 248 O ILE A 32 -2.899 1.075 2.924 1.00 0.00 O ATOM 249 CB ILE A 32 -4.949 2.955 4.692 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.208 4.351 5.263 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.538 1.903 5.635 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.505 4.491 6.614 1.00 0.00 C ATOM 0 H ILE A 32 -3.652 3.827 2.738 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.941 2.884 5.514 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.418 2.868 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.844 5.111 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.279 4.514 5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.612 2.061 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.352 0.908 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.070 1.990 6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.690 5.486 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.890 3.740 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.433 4.347 6.483 1.00 0.00 H new ATOM 264 N VAL A 33 -3.125 0.358 4.982 1.00 0.00 N ATOM 265 CA VAL A 33 -2.809 -1.031 4.551 1.00 0.00 C ATOM 266 C VAL A 33 -3.755 -2.044 5.206 1.00 0.00 C ATOM 267 O VAL A 33 -4.085 -1.955 6.371 1.00 0.00 O ATOM 268 CB VAL A 33 -1.356 -1.248 4.994 1.00 0.00 C ATOM 269 CG1 VAL A 33 -1.094 -2.731 5.273 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.418 -0.770 3.884 1.00 0.00 C ATOM 0 H VAL A 33 -3.317 0.479 5.976 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.934 -1.171 3.477 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.177 -0.683 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.058 -2.865 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.760 -3.075 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.277 -3.309 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.617 -0.921 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.612 -1.337 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.589 0.290 3.694 1.00 0.00 H new ATOM 280 N GLU A 34 -4.171 -3.013 4.443 1.00 0.00 N ATOM 281 CA GLU A 34 -5.081 -4.070 4.961 1.00 0.00 C ATOM 282 C GLU A 34 -4.887 -5.347 4.134 1.00 0.00 C ATOM 283 O GLU A 34 -4.314 -5.320 3.060 1.00 0.00 O ATOM 284 CB GLU A 34 -6.492 -3.512 4.774 1.00 0.00 C ATOM 285 CG GLU A 34 -7.379 -3.969 5.934 1.00 0.00 C ATOM 286 CD GLU A 34 -8.345 -5.048 5.443 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.756 -4.971 4.297 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.657 -5.936 6.220 1.00 0.00 O ATOM 0 H GLU A 34 -3.913 -3.119 3.462 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.890 -4.321 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.461 -2.423 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.908 -3.856 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.763 -4.359 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.936 -3.122 6.335 1.00 0.00 H new ATOM 295 N LYS A 35 -5.346 -6.467 4.620 1.00 0.00 N ATOM 296 CA LYS A 35 -5.166 -7.729 3.847 1.00 0.00 C ATOM 297 C LYS A 35 -6.443 -8.094 3.095 1.00 0.00 C ATOM 298 O LYS A 35 -7.528 -7.669 3.440 1.00 0.00 O ATOM 299 CB LYS A 35 -4.847 -8.800 4.887 1.00 0.00 C ATOM 300 CG LYS A 35 -3.548 -9.511 4.506 1.00 0.00 C ATOM 301 CD LYS A 35 -2.411 -8.489 4.438 1.00 0.00 C ATOM 302 CE LYS A 35 -2.432 -7.621 5.697 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.344 -8.585 6.829 1.00 0.00 N ATOM 0 H LYS A 35 -5.834 -6.564 5.511 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.377 -7.630 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.750 -8.346 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.664 -9.519 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.314 -10.283 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.662 -10.009 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.452 -9.000 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.521 -7.865 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.596 -6.921 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.345 -7.028 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.678 -8.224 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.283 -8.701 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.009 -9.505 6.477 1.00 0.00 H new ATOM 317 N ALA A 36 -6.317 -8.894 2.074 1.00 0.00 N ATOM 318 CA ALA A 36 -7.520 -9.312 1.299 1.00 0.00 C ATOM 319 C ALA A 36 -8.432 -10.151 2.199 1.00 0.00 C ATOM 320 O ALA A 36 -8.175 -10.281 3.379 1.00 0.00 O ATOM 321 CB ALA A 36 -6.969 -10.149 0.142 1.00 0.00 C ATOM 0 H ALA A 36 -5.432 -9.277 1.741 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.110 -8.471 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.794 -10.497 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.294 -9.540 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.427 -11.007 0.540 1.00 0.00 H new ATOM 327 N PRO A 37 -9.468 -10.701 1.621 1.00 0.00 N ATOM 328 CA PRO A 37 -10.403 -11.535 2.410 1.00 0.00 C ATOM 329 C PRO A 37 -9.744 -12.868 2.769 1.00 0.00 C ATOM 330 O PRO A 37 -9.533 -13.717 1.926 1.00 0.00 O ATOM 331 CB PRO A 37 -11.590 -11.736 1.470 1.00 0.00 C ATOM 332 CG PRO A 37 -11.028 -11.560 0.095 1.00 0.00 C ATOM 333 CD PRO A 37 -9.864 -10.609 0.210 1.00 0.00 C ATOM 0 HA PRO A 37 -10.698 -11.080 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.028 -12.726 1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.379 -11.011 1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.704 -12.517 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.784 -11.163 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.048 -10.895 -0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.151 -9.592 -0.058 1.00 0.00 H new ATOM 341 N LYS A 38 -9.414 -13.054 4.018 1.00 0.00 N ATOM 342 CA LYS A 38 -8.765 -14.325 4.438 1.00 0.00 C ATOM 343 C LYS A 38 -7.417 -14.493 3.729 1.00 0.00 C ATOM 344 O LYS A 38 -7.076 -15.565 3.269 1.00 0.00 O ATOM 345 CB LYS A 38 -9.743 -15.419 4.016 1.00 0.00 C ATOM 346 CG LYS A 38 -10.382 -16.036 5.262 1.00 0.00 C ATOM 347 CD LYS A 38 -11.906 -15.945 5.154 1.00 0.00 C ATOM 348 CE LYS A 38 -12.535 -16.282 6.508 1.00 0.00 C ATOM 349 NZ LYS A 38 -12.657 -14.975 7.212 1.00 0.00 N ATOM 0 H LYS A 38 -9.567 -12.378 4.766 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.559 -14.355 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.513 -15.003 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.223 -16.186 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.076 -17.077 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.039 -15.515 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.200 -14.942 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.269 -16.634 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.509 -16.756 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.912 -16.977 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.081 -15.124 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.714 -14.551 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.261 -14.337 6.656 1.00 0.00 H new ATOM 363 N ALA A 39 -6.646 -13.441 3.640 1.00 0.00 N ATOM 364 CA ALA A 39 -5.319 -13.542 2.963 1.00 0.00 C ATOM 365 C ALA A 39 -4.407 -14.498 3.738 1.00 0.00 C ATOM 366 O ALA A 39 -4.790 -15.049 4.750 1.00 0.00 O ATOM 367 CB ALA A 39 -4.752 -12.122 2.987 1.00 0.00 C ATOM 0 H ALA A 39 -6.877 -12.517 4.006 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.400 -13.930 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.774 -12.113 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.426 -11.452 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.652 -11.788 4.020 1.00 0.00 H new ATOM 373 N ARG A 40 -3.202 -14.699 3.273 1.00 0.00 N ATOM 374 CA ARG A 40 -2.275 -15.621 3.993 1.00 0.00 C ATOM 375 C ARG A 40 -0.817 -15.188 3.800 1.00 0.00 C ATOM 376 O ARG A 40 0.083 -16.005 3.792 1.00 0.00 O ATOM 377 CB ARG A 40 -2.517 -16.994 3.363 1.00 0.00 C ATOM 378 CG ARG A 40 -2.174 -16.941 1.874 1.00 0.00 C ATOM 379 CD ARG A 40 -1.415 -18.210 1.477 1.00 0.00 C ATOM 380 NE ARG A 40 -2.293 -19.334 1.907 1.00 0.00 N ATOM 381 CZ ARG A 40 -1.869 -20.564 1.819 1.00 0.00 C ATOM 382 NH1 ARG A 40 -0.940 -20.994 2.629 1.00 0.00 N ATOM 383 NH2 ARG A 40 -2.373 -21.366 0.922 1.00 0.00 N ATOM 0 H ARG A 40 -2.821 -14.267 2.431 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.456 -15.624 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.906 -17.747 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.558 -17.289 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.086 -16.850 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.568 -16.061 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.232 -18.241 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.443 -18.258 1.968 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.226 -19.141 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.546 -20.368 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.609 -21.956 2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.099 -21.031 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.041 -22.328 0.854 1.00 0.00 H new ATOM 395 N ILE A 41 -0.572 -13.914 3.645 1.00 0.00 N ATOM 396 CA ILE A 41 0.829 -13.443 3.454 1.00 0.00 C ATOM 397 C ILE A 41 1.505 -13.247 4.817 1.00 0.00 C ATOM 398 O ILE A 41 0.909 -13.477 5.851 1.00 0.00 O ATOM 399 CB ILE A 41 0.711 -12.105 2.695 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.528 -10.938 3.678 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.478 -12.145 1.732 1.00 0.00 C ATOM 402 CD1 ILE A 41 -0.658 -11.190 4.609 1.00 0.00 C ATOM 0 H ILE A 41 -1.281 -13.181 3.643 1.00 0.00 H new ATOM 0 HA ILE A 41 1.436 -14.159 2.901 1.00 0.00 H new ATOM 0 HB ILE A 41 1.631 -11.954 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.436 -10.807 4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.371 -10.012 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.550 -11.195 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.336 -12.951 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.396 -12.318 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.767 -10.350 5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.568 -11.296 4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.486 -12.104 5.178 1.00 0.00 H new ATOM 414 N GLY A 42 2.741 -12.828 4.832 1.00 0.00 N ATOM 415 CA GLY A 42 3.435 -12.625 6.137 1.00 0.00 C ATOM 416 C GLY A 42 2.672 -11.587 6.962 1.00 0.00 C ATOM 417 O GLY A 42 1.797 -10.905 6.467 1.00 0.00 O ATOM 0 H GLY A 42 3.298 -12.618 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.492 -13.568 6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.459 -12.291 5.969 1.00 0.00 H new ATOM 421 N ASP A 43 2.999 -11.463 8.219 1.00 0.00 N ATOM 422 CA ASP A 43 2.293 -10.469 9.079 1.00 0.00 C ATOM 423 C ASP A 43 2.976 -9.102 8.983 1.00 0.00 C ATOM 424 O ASP A 43 4.036 -8.966 8.406 1.00 0.00 O ATOM 425 CB ASP A 43 2.402 -11.023 10.499 1.00 0.00 C ATOM 426 CG ASP A 43 1.071 -10.824 11.229 1.00 0.00 C ATOM 427 OD1 ASP A 43 0.109 -10.459 10.574 1.00 0.00 O ATOM 428 OD2 ASP A 43 1.038 -11.042 12.429 1.00 0.00 O ATOM 0 H ASP A 43 3.724 -12.006 8.688 1.00 0.00 H new ATOM 0 HA ASP A 43 1.256 -10.327 8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.657 -12.082 10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.203 -10.517 11.038 1.00 0.00 H new ATOM 433 N LEU A 44 2.376 -8.091 9.547 1.00 0.00 N ATOM 434 CA LEU A 44 2.980 -6.742 9.496 1.00 0.00 C ATOM 435 C LEU A 44 2.873 -6.065 10.866 1.00 0.00 C ATOM 436 O LEU A 44 1.918 -6.257 11.592 1.00 0.00 O ATOM 437 CB LEU A 44 2.154 -5.977 8.460 1.00 0.00 C ATOM 438 CG LEU A 44 3.078 -5.238 7.488 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.320 -4.072 6.861 1.00 0.00 C ATOM 440 CD2 LEU A 44 4.281 -4.690 8.247 1.00 0.00 C ATOM 0 H LEU A 44 1.487 -8.148 10.043 1.00 0.00 H new ATOM 0 HA LEU A 44 4.038 -6.773 9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.515 -6.669 7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.497 -5.266 8.961 1.00 0.00 H new ATOM 0 HG LEU A 44 3.412 -5.927 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.974 -3.543 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.451 -4.450 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.992 -3.388 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.939 -4.164 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.941 -4.000 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.825 -5.513 8.710 1.00 0.00 H new ATOM 452 N ASP A 45 3.842 -5.270 11.218 1.00 0.00 N ATOM 453 CA ASP A 45 3.798 -4.572 12.538 1.00 0.00 C ATOM 454 C ASP A 45 3.029 -3.253 12.413 1.00 0.00 C ATOM 455 O ASP A 45 2.757 -2.586 13.392 1.00 0.00 O ATOM 456 CB ASP A 45 5.258 -4.309 12.909 1.00 0.00 C ATOM 457 CG ASP A 45 5.641 -5.168 14.116 1.00 0.00 C ATOM 458 OD1 ASP A 45 4.819 -5.300 15.008 1.00 0.00 O ATOM 459 OD2 ASP A 45 6.749 -5.677 14.128 1.00 0.00 O ATOM 0 H ASP A 45 4.665 -5.071 10.650 1.00 0.00 H new ATOM 0 HA ASP A 45 3.291 -5.167 13.298 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.906 -4.541 12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.401 -3.253 13.140 1.00 0.00 H new ATOM 464 N LYS A 46 2.680 -2.872 11.215 1.00 0.00 N ATOM 465 CA LYS A 46 1.933 -1.596 11.023 1.00 0.00 C ATOM 466 C LYS A 46 1.103 -1.663 9.737 1.00 0.00 C ATOM 467 O LYS A 46 1.415 -2.403 8.826 1.00 0.00 O ATOM 468 CB LYS A 46 3.013 -0.520 10.907 1.00 0.00 C ATOM 469 CG LYS A 46 3.476 -0.109 12.307 1.00 0.00 C ATOM 470 CD LYS A 46 4.749 -0.877 12.670 1.00 0.00 C ATOM 471 CE LYS A 46 5.972 0.003 12.403 1.00 0.00 C ATOM 472 NZ LYS A 46 6.998 -0.459 13.378 1.00 0.00 N ATOM 0 H LYS A 46 2.880 -3.390 10.359 1.00 0.00 H new ATOM 0 HA LYS A 46 1.241 -1.393 11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.857 -0.897 10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.623 0.346 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.665 0.964 12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.693 -0.317 13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.722 -1.171 13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.813 -1.794 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.323 -0.110 11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.738 1.058 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.868 0.098 13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.639 -0.334 14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.205 -1.465 13.213 1.00 0.00 H new ATOM 486 N LYS A 47 0.053 -0.892 9.650 1.00 0.00 N ATOM 487 CA LYS A 47 -0.783 -0.915 8.416 1.00 0.00 C ATOM 488 C LYS A 47 -0.936 0.503 7.871 1.00 0.00 C ATOM 489 O LYS A 47 -2.011 0.929 7.503 1.00 0.00 O ATOM 490 CB LYS A 47 -2.136 -1.487 8.848 1.00 0.00 C ATOM 491 CG LYS A 47 -2.849 -0.501 9.777 1.00 0.00 C ATOM 492 CD LYS A 47 -2.336 -0.683 11.208 1.00 0.00 C ATOM 493 CE LYS A 47 -3.522 -0.846 12.161 1.00 0.00 C ATOM 494 NZ LYS A 47 -2.973 -0.542 13.512 1.00 0.00 N ATOM 0 H LYS A 47 -0.261 -0.249 10.377 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.338 -1.516 7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.753 -1.685 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.991 -2.440 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.672 0.522 9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.926 -0.666 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.688 -1.558 11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.736 0.178 11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.333 -0.166 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.928 -1.857 12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.728 -0.633 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.207 -1.210 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.600 0.429 13.525 1.00 0.00 H new ATOM 508 N LYS A 48 0.138 1.234 7.818 1.00 0.00 N ATOM 509 CA LYS A 48 0.068 2.627 7.294 1.00 0.00 C ATOM 510 C LYS A 48 1.455 3.081 6.837 1.00 0.00 C ATOM 511 O LYS A 48 2.349 3.267 7.638 1.00 0.00 O ATOM 512 CB LYS A 48 -0.410 3.471 8.477 1.00 0.00 C ATOM 513 CG LYS A 48 0.490 3.208 9.686 1.00 0.00 C ATOM 514 CD LYS A 48 -0.192 3.730 10.953 1.00 0.00 C ATOM 515 CE LYS A 48 0.474 5.037 11.391 1.00 0.00 C ATOM 516 NZ LYS A 48 -0.394 6.114 10.841 1.00 0.00 N ATOM 0 H LYS A 48 1.065 0.928 8.115 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.598 2.717 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.387 4.529 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.444 3.225 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.688 2.140 9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.453 3.700 9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.253 3.895 10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.120 2.989 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.542 5.101 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.490 5.112 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.002 7.042 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.435 6.032 9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.353 6.021 11.233 1.00 0.00 H new ATOM 530 N TYR A 49 1.646 3.262 5.558 1.00 0.00 N ATOM 531 CA TYR A 49 2.984 3.705 5.075 1.00 0.00 C ATOM 532 C TYR A 49 2.940 5.181 4.686 1.00 0.00 C ATOM 533 O TYR A 49 1.972 5.663 4.132 1.00 0.00 O ATOM 534 CB TYR A 49 3.289 2.847 3.846 1.00 0.00 C ATOM 535 CG TYR A 49 3.514 1.411 4.259 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.469 0.667 4.819 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.771 0.826 4.080 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.682 -0.662 5.204 1.00 0.00 C ATOM 539 CE2 TYR A 49 4.985 -0.504 4.462 1.00 0.00 C ATOM 540 CZ TYR A 49 3.940 -1.249 5.026 1.00 0.00 C ATOM 541 OH TYR A 49 4.153 -2.558 5.403 1.00 0.00 O ATOM 0 H TYR A 49 0.941 3.124 4.834 1.00 0.00 H new ATOM 0 HA TYR A 49 3.747 3.591 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.462 2.905 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.173 3.230 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.497 1.119 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.577 1.400 3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.876 -1.234 5.638 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.956 -0.956 4.322 1.00 0.00 H new ATOM 0 HH TYR A 49 3.706 -3.158 4.770 1.00 0.00 H new ATOM 551 N LEU A 50 3.989 5.896 4.965 1.00 0.00 N ATOM 552 CA LEU A 50 4.030 7.340 4.606 1.00 0.00 C ATOM 553 C LEU A 50 5.094 7.559 3.533 1.00 0.00 C ATOM 554 O LEU A 50 6.274 7.606 3.818 1.00 0.00 O ATOM 555 CB LEU A 50 4.407 8.066 5.898 1.00 0.00 C ATOM 556 CG LEU A 50 3.609 9.367 6.003 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.505 9.209 7.048 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.543 10.506 6.418 1.00 0.00 C ATOM 0 H LEU A 50 4.826 5.542 5.429 1.00 0.00 H new ATOM 0 HA LEU A 50 3.082 7.704 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.201 7.430 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.476 8.280 5.909 1.00 0.00 H new ATOM 0 HG LEU A 50 3.162 9.596 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.938 10.137 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.838 8.399 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.950 8.979 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.975 11.433 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.991 10.276 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.330 10.622 5.672 1.00 0.00 H new ATOM 570 N VAL A 51 4.694 7.675 2.299 1.00 0.00 N ATOM 571 CA VAL A 51 5.697 7.869 1.215 1.00 0.00 C ATOM 572 C VAL A 51 5.352 9.098 0.370 1.00 0.00 C ATOM 573 O VAL A 51 4.228 9.556 0.366 1.00 0.00 O ATOM 574 CB VAL A 51 5.617 6.590 0.381 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.610 5.371 1.310 1.00 0.00 C ATOM 576 CG2 VAL A 51 4.334 6.602 -0.452 1.00 0.00 C ATOM 0 H VAL A 51 3.721 7.644 1.994 1.00 0.00 H new ATOM 0 HA VAL A 51 6.700 8.042 1.605 1.00 0.00 H new ATOM 0 HB VAL A 51 6.481 6.536 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.553 4.460 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.525 5.360 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.748 5.425 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.278 5.690 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.470 6.657 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.339 7.467 -1.115 1.00 0.00 H new ATOM 586 N PRO A 52 6.349 9.593 -0.314 1.00 0.00 N ATOM 587 CA PRO A 52 6.170 10.791 -1.173 1.00 0.00 C ATOM 588 C PRO A 52 5.340 10.444 -2.418 1.00 0.00 C ATOM 589 O PRO A 52 5.382 9.338 -2.919 1.00 0.00 O ATOM 590 CB PRO A 52 7.602 11.179 -1.542 1.00 0.00 C ATOM 591 CG PRO A 52 8.390 9.917 -1.418 1.00 0.00 C ATOM 592 CD PRO A 52 7.724 9.086 -0.352 1.00 0.00 C ATOM 0 HA PRO A 52 5.632 11.601 -0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.654 11.578 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.986 11.951 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.412 9.381 -2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.424 10.133 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.751 8.025 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.219 9.202 0.612 1.00 0.00 H new ATOM 600 N SER A 53 4.572 11.384 -2.904 1.00 0.00 N ATOM 601 CA SER A 53 3.715 11.124 -4.098 1.00 0.00 C ATOM 602 C SER A 53 4.559 10.840 -5.345 1.00 0.00 C ATOM 603 O SER A 53 4.060 10.362 -6.344 1.00 0.00 O ATOM 604 CB SER A 53 2.915 12.415 -4.282 1.00 0.00 C ATOM 605 OG SER A 53 1.667 12.296 -3.611 1.00 0.00 O ATOM 0 H SER A 53 4.502 12.327 -2.522 1.00 0.00 H new ATOM 0 HA SER A 53 3.082 10.248 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.474 13.262 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.753 12.608 -5.343 1.00 0.00 H new ATOM 0 HG SER A 53 1.154 13.123 -3.726 1.00 0.00 H new ATOM 611 N ASP A 54 5.827 11.136 -5.307 1.00 0.00 N ATOM 612 CA ASP A 54 6.684 10.887 -6.502 1.00 0.00 C ATOM 613 C ASP A 54 7.159 9.430 -6.536 1.00 0.00 C ATOM 614 O ASP A 54 7.706 8.972 -7.519 1.00 0.00 O ATOM 615 CB ASP A 54 7.874 11.834 -6.340 1.00 0.00 C ATOM 616 CG ASP A 54 8.592 11.986 -7.682 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.208 11.303 -8.619 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.514 12.782 -7.753 1.00 0.00 O ATOM 0 H ASP A 54 6.308 11.539 -4.503 1.00 0.00 H new ATOM 0 HA ASP A 54 6.144 11.060 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.533 12.807 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.562 11.445 -5.589 1.00 0.00 H new ATOM 623 N LEU A 55 6.962 8.699 -5.472 1.00 0.00 N ATOM 624 CA LEU A 55 7.415 7.276 -5.459 1.00 0.00 C ATOM 625 C LEU A 55 6.686 6.459 -6.523 1.00 0.00 C ATOM 626 O LEU A 55 5.510 6.642 -6.772 1.00 0.00 O ATOM 627 CB LEU A 55 7.051 6.731 -4.076 1.00 0.00 C ATOM 628 CG LEU A 55 8.303 6.632 -3.208 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.979 5.818 -1.954 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.423 5.930 -3.979 1.00 0.00 C ATOM 0 H LEU A 55 6.510 9.022 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 55 8.483 7.211 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.319 7.384 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.587 5.749 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 55 8.628 7.636 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.869 5.743 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.184 6.311 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.653 4.819 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.311 5.865 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.100 4.927 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.656 6.498 -4.879 1.00 0.00 H new ATOM 642 N THR A 56 7.375 5.538 -7.133 1.00 0.00 N ATOM 643 CA THR A 56 6.728 4.679 -8.160 1.00 0.00 C ATOM 644 C THR A 56 6.158 3.428 -7.484 1.00 0.00 C ATOM 645 O THR A 56 6.577 3.049 -6.408 1.00 0.00 O ATOM 646 CB THR A 56 7.847 4.306 -9.133 1.00 0.00 C ATOM 647 OG1 THR A 56 9.049 4.084 -8.409 1.00 0.00 O ATOM 648 CG2 THR A 56 8.055 5.445 -10.133 1.00 0.00 C ATOM 0 H THR A 56 8.362 5.343 -6.964 1.00 0.00 H new ATOM 0 HA THR A 56 5.906 5.178 -8.673 1.00 0.00 H new ATOM 0 HB THR A 56 7.574 3.398 -9.670 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.766 3.843 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.853 5.179 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.133 5.614 -10.689 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.328 6.354 -9.597 1.00 0.00 H new ATOM 656 N VAL A 57 5.208 2.785 -8.100 1.00 0.00 N ATOM 657 CA VAL A 57 4.622 1.564 -7.480 1.00 0.00 C ATOM 658 C VAL A 57 5.722 0.532 -7.212 1.00 0.00 C ATOM 659 O VAL A 57 5.584 -0.330 -6.369 1.00 0.00 O ATOM 660 CB VAL A 57 3.624 1.041 -8.512 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.117 -0.336 -8.083 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.444 2.011 -8.611 1.00 0.00 C ATOM 0 H VAL A 57 4.812 3.050 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 57 4.143 1.769 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 57 4.113 0.959 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.405 -0.708 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.957 -1.026 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.627 -0.257 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.730 1.641 -9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.956 2.091 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.805 2.993 -8.918 1.00 0.00 H new ATOM 672 N GLY A 58 6.814 0.618 -7.923 1.00 0.00 N ATOM 673 CA GLY A 58 7.924 -0.355 -7.708 1.00 0.00 C ATOM 674 C GLY A 58 8.634 -0.048 -6.387 1.00 0.00 C ATOM 675 O GLY A 58 9.101 -0.936 -5.703 1.00 0.00 O ATOM 0 H GLY A 58 6.986 1.320 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.531 -1.372 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.633 -0.300 -8.534 1.00 0.00 H new ATOM 679 N GLN A 59 8.718 1.203 -6.020 1.00 0.00 N ATOM 680 CA GLN A 59 9.399 1.562 -4.739 1.00 0.00 C ATOM 681 C GLN A 59 8.525 1.147 -3.555 1.00 0.00 C ATOM 682 O GLN A 59 8.971 0.483 -2.628 1.00 0.00 O ATOM 683 CB GLN A 59 9.552 3.081 -4.779 1.00 0.00 C ATOM 684 CG GLN A 59 10.418 3.476 -5.974 1.00 0.00 C ATOM 685 CD GLN A 59 11.893 3.445 -5.569 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.390 4.377 -4.970 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.617 2.403 -5.874 1.00 0.00 N ATOM 0 H GLN A 59 8.346 1.991 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 59 10.360 1.061 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.573 3.554 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.007 3.436 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.244 2.792 -6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.146 4.473 -6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.198 1.621 -6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.601 2.371 -5.609 1.00 0.00 H new ATOM 696 N PHE A 60 7.278 1.530 -3.575 1.00 0.00 N ATOM 697 CA PHE A 60 6.391 1.144 -2.450 1.00 0.00 C ATOM 698 C PHE A 60 6.316 -0.378 -2.367 1.00 0.00 C ATOM 699 O PHE A 60 6.196 -0.941 -1.304 1.00 0.00 O ATOM 700 CB PHE A 60 5.015 1.735 -2.762 1.00 0.00 C ATOM 701 CG PHE A 60 4.092 1.403 -1.615 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.402 1.846 -0.324 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.947 0.630 -1.833 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.567 1.519 0.749 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.115 0.297 -0.758 1.00 0.00 C ATOM 706 CZ PHE A 60 2.427 0.743 0.533 1.00 0.00 C ATOM 0 H PHE A 60 6.843 2.085 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 60 6.761 1.514 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.085 2.815 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.627 1.325 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.287 2.441 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.705 0.291 -2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.804 1.866 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.233 -0.304 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.785 0.486 1.362 1.00 0.00 H new ATOM 716 N TYR A 61 6.408 -1.054 -3.480 1.00 0.00 N ATOM 717 CA TYR A 61 6.363 -2.542 -3.450 1.00 0.00 C ATOM 718 C TYR A 61 7.563 -3.072 -2.672 1.00 0.00 C ATOM 719 O TYR A 61 7.511 -4.121 -2.059 1.00 0.00 O ATOM 720 CB TYR A 61 6.444 -2.965 -4.916 1.00 0.00 C ATOM 721 CG TYR A 61 5.306 -3.900 -5.242 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.312 -5.212 -4.753 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.244 -3.453 -6.037 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.255 -6.078 -5.061 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.187 -4.318 -6.342 1.00 0.00 C ATOM 726 CZ TYR A 61 3.193 -5.630 -5.855 1.00 0.00 C ATOM 727 OH TYR A 61 2.151 -6.482 -6.158 1.00 0.00 O ATOM 0 H TYR A 61 6.512 -0.640 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 61 5.466 -2.929 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.401 -2.087 -5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.397 -3.456 -5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.131 -5.556 -4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.240 -2.441 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.259 -7.091 -4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.366 -3.973 -6.953 1.00 0.00 H new ATOM 0 HH TYR A 61 1.497 -6.013 -6.717 1.00 0.00 H new ATOM 737 N PHE A 62 8.645 -2.348 -2.689 1.00 0.00 N ATOM 738 CA PHE A 62 9.852 -2.798 -1.951 1.00 0.00 C ATOM 739 C PHE A 62 9.613 -2.702 -0.442 1.00 0.00 C ATOM 740 O PHE A 62 9.818 -3.650 0.286 1.00 0.00 O ATOM 741 CB PHE A 62 10.960 -1.838 -2.383 1.00 0.00 C ATOM 742 CG PHE A 62 12.253 -2.601 -2.545 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.409 -3.495 -3.612 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.295 -2.415 -1.629 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.608 -4.202 -3.762 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.494 -3.123 -1.779 1.00 0.00 C ATOM 747 CZ PHE A 62 14.650 -4.017 -2.846 1.00 0.00 C ATOM 0 H PHE A 62 8.744 -1.462 -3.184 1.00 0.00 H new ATOM 0 HA PHE A 62 10.107 -3.836 -2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.691 -1.354 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.082 -1.049 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.605 -3.639 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.174 -1.725 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.729 -4.891 -4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.298 -2.980 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.574 -4.564 -2.962 1.00 0.00 H new ATOM 757 N LEU A 63 9.207 -1.558 0.042 1.00 0.00 N ATOM 758 CA LEU A 63 8.994 -1.435 1.524 1.00 0.00 C ATOM 759 C LEU A 63 7.936 -2.427 2.051 1.00 0.00 C ATOM 760 O LEU A 63 8.060 -2.911 3.157 1.00 0.00 O ATOM 761 CB LEU A 63 8.598 0.021 1.828 1.00 0.00 C ATOM 762 CG LEU A 63 7.527 0.541 0.868 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.166 0.543 1.563 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.892 1.972 0.462 1.00 0.00 C ATOM 0 H LEU A 63 9.016 -0.719 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 63 9.919 -1.690 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.230 0.089 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.481 0.657 1.764 1.00 0.00 H new ATOM 0 HG LEU A 63 7.475 -0.100 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.407 0.914 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.913 -0.472 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.207 1.188 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.138 2.359 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.933 2.603 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.865 1.974 -0.030 1.00 0.00 H new ATOM 776 N ILE A 64 6.907 -2.763 1.302 1.00 0.00 N ATOM 777 CA ILE A 64 5.921 -3.750 1.867 1.00 0.00 C ATOM 778 C ILE A 64 6.519 -5.155 1.828 1.00 0.00 C ATOM 779 O ILE A 64 6.244 -5.977 2.677 1.00 0.00 O ATOM 780 CB ILE A 64 4.639 -3.741 1.014 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.465 -2.422 0.253 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.438 -3.958 1.940 1.00 0.00 C ATOM 783 CD1 ILE A 64 3.007 -2.278 -0.195 1.00 0.00 C ATOM 0 H ILE A 64 6.710 -2.415 0.364 1.00 0.00 H new ATOM 0 HA ILE A 64 5.690 -3.472 2.895 1.00 0.00 H new ATOM 0 HB ILE A 64 4.712 -4.538 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.745 -1.583 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.126 -2.400 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.520 -3.955 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.539 -4.917 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.399 -3.157 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.884 -1.340 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.743 -3.111 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.356 -2.281 0.679 1.00 0.00 H new ATOM 795 N ARG A 65 7.319 -5.439 0.833 1.00 0.00 N ATOM 796 CA ARG A 65 7.927 -6.801 0.719 1.00 0.00 C ATOM 797 C ARG A 65 8.313 -7.340 2.101 1.00 0.00 C ATOM 798 O ARG A 65 7.777 -8.330 2.560 1.00 0.00 O ATOM 799 CB ARG A 65 9.174 -6.615 -0.147 1.00 0.00 C ATOM 800 CG ARG A 65 8.763 -6.482 -1.616 1.00 0.00 C ATOM 801 CD ARG A 65 9.324 -7.662 -2.413 1.00 0.00 C ATOM 802 NE ARG A 65 9.657 -7.097 -3.750 1.00 0.00 N ATOM 803 CZ ARG A 65 9.741 -7.884 -4.788 1.00 0.00 C ATOM 804 NH1 ARG A 65 10.153 -9.113 -4.644 1.00 0.00 N ATOM 805 NH2 ARG A 65 9.411 -7.440 -5.970 1.00 0.00 N ATOM 0 H ARG A 65 7.579 -4.787 0.093 1.00 0.00 H new ATOM 0 HA ARG A 65 7.230 -7.518 0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.720 -5.727 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.846 -7.464 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.677 -6.457 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.136 -5.543 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.207 -8.081 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.593 -8.467 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 65 9.819 -6.095 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.410 -9.460 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.218 -9.727 -5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.088 -6.479 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.476 -8.054 -6.782 1.00 0.00 H new ATOM 817 N LYS A 66 9.233 -6.701 2.770 1.00 0.00 N ATOM 818 CA LYS A 66 9.638 -7.188 4.119 1.00 0.00 C ATOM 819 C LYS A 66 8.453 -7.112 5.084 1.00 0.00 C ATOM 820 O LYS A 66 8.332 -7.902 6.000 1.00 0.00 O ATOM 821 CB LYS A 66 10.755 -6.244 4.567 1.00 0.00 C ATOM 822 CG LYS A 66 12.109 -6.929 4.380 1.00 0.00 C ATOM 823 CD LYS A 66 12.898 -6.212 3.283 1.00 0.00 C ATOM 824 CE LYS A 66 13.590 -4.980 3.873 1.00 0.00 C ATOM 825 NZ LYS A 66 14.847 -5.499 4.479 1.00 0.00 N ATOM 0 H LYS A 66 9.720 -5.867 2.443 1.00 0.00 H new ATOM 0 HA LYS A 66 9.968 -8.227 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.720 -5.321 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.616 -5.970 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.669 -6.912 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.965 -7.976 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.638 -6.887 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.230 -5.915 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.800 -4.238 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.962 -4.495 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.048 -4.982 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.738 -6.512 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.634 -5.367 3.812 1.00 0.00 H new ATOM 839 N ARG A 67 7.575 -6.170 4.883 1.00 0.00 N ATOM 840 CA ARG A 67 6.395 -6.044 5.784 1.00 0.00 C ATOM 841 C ARG A 67 5.478 -7.261 5.628 1.00 0.00 C ATOM 842 O ARG A 67 4.675 -7.561 6.487 1.00 0.00 O ATOM 843 CB ARG A 67 5.682 -4.772 5.323 1.00 0.00 C ATOM 844 CG ARG A 67 6.640 -3.582 5.424 1.00 0.00 C ATOM 845 CD ARG A 67 6.810 -3.184 6.892 1.00 0.00 C ATOM 846 NE ARG A 67 8.111 -2.461 6.947 1.00 0.00 N ATOM 847 CZ ARG A 67 8.740 -2.338 8.084 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.114 -3.401 8.741 1.00 0.00 N ATOM 849 NH2 ARG A 67 8.994 -1.152 8.565 1.00 0.00 N ATOM 0 H ARG A 67 7.623 -5.481 4.133 1.00 0.00 H new ATOM 0 HA ARG A 67 6.680 -5.995 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.337 -4.888 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.799 -4.595 5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.607 -3.843 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.252 -2.740 4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.990 -2.548 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.818 -4.060 7.540 1.00 0.00 H new ATOM 0 HE ARG A 67 8.510 -2.062 6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.915 -4.329 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.606 -3.305 9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.701 -0.320 8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.486 -1.057 9.454 1.00 0.00 H new ATOM 861 N ILE A 68 5.594 -7.965 4.534 1.00 0.00 N ATOM 862 CA ILE A 68 4.731 -9.161 4.318 1.00 0.00 C ATOM 863 C ILE A 68 5.540 -10.437 4.548 1.00 0.00 C ATOM 864 O ILE A 68 5.145 -11.517 4.156 1.00 0.00 O ATOM 865 CB ILE A 68 4.291 -9.062 2.861 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.299 -7.907 2.706 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.617 -10.367 2.436 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.960 -7.720 1.227 1.00 0.00 C ATOM 0 H ILE A 68 6.250 -7.763 3.780 1.00 0.00 H new ATOM 0 HA ILE A 68 3.882 -9.194 5.001 1.00 0.00 H new ATOM 0 HB ILE A 68 5.164 -8.884 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.392 -8.114 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.727 -6.990 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.304 -10.292 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.321 -11.192 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.745 -10.548 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.253 -6.897 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.870 -7.494 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.515 -8.635 0.837 1.00 0.00 H new ATOM 880 N HIS A 69 6.675 -10.316 5.173 1.00 0.00 N ATOM 881 CA HIS A 69 7.520 -11.515 5.430 1.00 0.00 C ATOM 882 C HIS A 69 7.699 -12.319 4.147 1.00 0.00 C ATOM 883 O HIS A 69 7.895 -13.519 4.171 1.00 0.00 O ATOM 884 CB HIS A 69 6.758 -12.326 6.479 1.00 0.00 C ATOM 885 CG HIS A 69 7.697 -12.732 7.579 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.644 -11.863 8.101 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.848 -13.908 8.271 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.314 -12.524 9.062 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.870 -13.774 9.207 1.00 0.00 N ATOM 0 H HIS A 69 7.057 -9.436 5.519 1.00 0.00 H new ATOM 0 HA HIS A 69 8.519 -11.249 5.776 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.938 -11.734 6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.316 -13.210 6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.263 -14.802 8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.115 -12.095 9.646 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.207 -14.479 9.862 1.00 0.00 H new ATOM 897 N LEU A 70 7.647 -11.663 3.026 1.00 0.00 N ATOM 898 CA LEU A 70 7.829 -12.381 1.733 1.00 0.00 C ATOM 899 C LEU A 70 9.169 -11.981 1.110 1.00 0.00 C ATOM 900 O LEU A 70 9.743 -10.969 1.456 1.00 0.00 O ATOM 901 CB LEU A 70 6.652 -11.942 0.853 1.00 0.00 C ATOM 902 CG LEU A 70 6.796 -10.463 0.475 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.815 -10.314 -0.656 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.444 -9.927 0.002 1.00 0.00 C ATOM 0 H LEU A 70 7.486 -10.659 2.946 1.00 0.00 H new ATOM 0 HA LEU A 70 7.844 -13.464 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.615 -12.553 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.713 -12.099 1.384 1.00 0.00 H new ATOM 0 HG LEU A 70 7.135 -9.902 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.913 -9.261 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.781 -10.698 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.478 -10.877 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.544 -8.876 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.112 -10.494 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.712 -10.029 0.803 1.00 0.00 H new ATOM 916 N ARG A 71 9.680 -12.768 0.203 1.00 0.00 N ATOM 917 CA ARG A 71 10.991 -12.415 -0.419 1.00 0.00 C ATOM 918 C ARG A 71 11.233 -13.242 -1.686 1.00 0.00 C ATOM 919 O ARG A 71 10.368 -13.956 -2.151 1.00 0.00 O ATOM 920 CB ARG A 71 12.030 -12.762 0.650 1.00 0.00 C ATOM 921 CG ARG A 71 12.208 -14.281 0.721 1.00 0.00 C ATOM 922 CD ARG A 71 13.394 -14.614 1.628 1.00 0.00 C ATOM 923 NE ARG A 71 14.084 -15.750 0.959 1.00 0.00 N ATOM 924 CZ ARG A 71 15.360 -15.942 1.150 1.00 0.00 C ATOM 925 NH1 ARG A 71 15.806 -16.216 2.346 1.00 0.00 N ATOM 926 NH2 ARG A 71 16.191 -15.860 0.147 1.00 0.00 N ATOM 0 H ARG A 71 9.253 -13.632 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 71 11.034 -11.368 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.981 -12.285 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.712 -12.378 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.301 -14.747 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.375 -14.685 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.059 -13.758 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.061 -14.889 2.629 1.00 0.00 H new ATOM 0 HE ARG A 71 13.559 -16.379 0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.157 -16.280 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.804 -16.366 2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.843 -15.646 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 71 17.189 -16.010 0.298 1.00 0.00 H new ATOM 938 N ALA A 72 12.411 -13.152 -2.239 1.00 0.00 N ATOM 939 CA ALA A 72 12.727 -13.932 -3.469 1.00 0.00 C ATOM 940 C ALA A 72 11.663 -13.694 -4.542 1.00 0.00 C ATOM 941 O ALA A 72 11.779 -12.795 -5.353 1.00 0.00 O ATOM 942 CB ALA A 72 12.724 -15.394 -3.023 1.00 0.00 C ATOM 0 H ALA A 72 13.172 -12.569 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 72 13.682 -13.641 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.949 -16.035 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.478 -15.540 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.742 -15.651 -2.625 1.00 0.00 H new ATOM 948 N GLU A 73 10.629 -14.490 -4.559 1.00 0.00 N ATOM 949 CA GLU A 73 9.566 -14.303 -5.589 1.00 0.00 C ATOM 950 C GLU A 73 8.243 -14.912 -5.118 1.00 0.00 C ATOM 951 O GLU A 73 7.433 -15.343 -5.914 1.00 0.00 O ATOM 952 CB GLU A 73 10.080 -15.045 -6.825 1.00 0.00 C ATOM 953 CG GLU A 73 11.361 -14.376 -7.327 1.00 0.00 C ATOM 954 CD GLU A 73 11.677 -14.873 -8.738 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.143 -14.307 -9.678 1.00 0.00 O ATOM 956 OE2 GLU A 73 12.448 -15.812 -8.855 1.00 0.00 O ATOM 0 H GLU A 73 10.474 -15.259 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 73 9.374 -13.249 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.274 -16.089 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.322 -15.037 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.241 -13.293 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.189 -14.603 -6.656 1.00 0.00 H new ATOM 963 N ASP A 74 8.012 -14.948 -3.835 1.00 0.00 N ATOM 964 CA ASP A 74 6.733 -15.525 -3.334 1.00 0.00 C ATOM 965 C ASP A 74 5.563 -14.938 -4.109 1.00 0.00 C ATOM 966 O ASP A 74 5.716 -14.080 -4.955 1.00 0.00 O ATOM 967 CB ASP A 74 6.674 -15.150 -1.844 1.00 0.00 C ATOM 968 CG ASP A 74 5.237 -14.860 -1.390 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.572 -15.791 -0.969 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.830 -13.713 -1.473 1.00 0.00 O ATOM 0 H ASP A 74 8.649 -14.605 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 74 6.679 -16.606 -3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.087 -15.963 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.297 -14.274 -1.664 1.00 0.00 H new ATOM 975 N ALA A 75 4.399 -15.408 -3.814 1.00 0.00 N ATOM 976 CA ALA A 75 3.186 -14.901 -4.515 1.00 0.00 C ATOM 977 C ALA A 75 2.634 -13.668 -3.799 1.00 0.00 C ATOM 978 O ALA A 75 2.563 -13.619 -2.587 1.00 0.00 O ATOM 979 CB ALA A 75 2.176 -16.045 -4.458 1.00 0.00 C ATOM 0 H ALA A 75 4.224 -16.128 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 75 3.405 -14.604 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.255 -15.742 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.589 -16.920 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.962 -16.290 -3.418 1.00 0.00 H new ATOM 985 N LEU A 76 2.238 -12.676 -4.543 1.00 0.00 N ATOM 986 CA LEU A 76 1.684 -11.444 -3.912 1.00 0.00 C ATOM 987 C LEU A 76 0.954 -10.596 -4.950 1.00 0.00 C ATOM 988 O LEU A 76 1.262 -10.629 -6.125 1.00 0.00 O ATOM 989 CB LEU A 76 2.891 -10.684 -3.371 1.00 0.00 C ATOM 990 CG LEU A 76 2.422 -9.399 -2.687 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.643 -9.749 -1.418 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.637 -8.545 -2.318 1.00 0.00 C ATOM 0 H LEU A 76 2.273 -12.663 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 76 0.966 -11.683 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.438 -11.306 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.578 -10.446 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 76 1.777 -8.842 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.309 -8.832 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.777 -10.357 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.287 -10.307 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.303 -7.629 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.282 -9.103 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.193 -8.293 -3.221 1.00 0.00 H new ATOM 1004 N PHE A 77 -0.004 -9.830 -4.519 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.763 -8.965 -5.460 1.00 0.00 C ATOM 1006 C PHE A 77 -1.430 -7.821 -4.697 1.00 0.00 C ATOM 1007 O PHE A 77 -2.253 -8.041 -3.830 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.827 -9.872 -6.068 1.00 0.00 C ATOM 1009 CG PHE A 77 -1.171 -11.028 -6.785 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.596 -10.835 -8.047 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -1.142 -12.294 -6.188 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.012 -11.907 -8.710 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.534 -13.367 -6.852 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.042 -13.173 -8.113 1.00 0.00 C ATOM 0 H PHE A 77 -0.297 -9.765 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.118 -8.522 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.488 -10.246 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.445 -9.305 -6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.622 -9.859 -8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.588 -12.443 -5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.458 -11.758 -9.682 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.510 -14.344 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.510 -14.000 -8.626 1.00 0.00 H new ATOM 1024 N PHE A 78 -1.084 -6.602 -5.000 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.706 -5.461 -4.280 1.00 0.00 C ATOM 1026 C PHE A 78 -3.038 -5.068 -4.920 1.00 0.00 C ATOM 1027 O PHE A 78 -3.141 -4.905 -6.119 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.703 -4.326 -4.426 1.00 0.00 C ATOM 1029 CG PHE A 78 0.588 -4.680 -3.726 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.654 -5.763 -2.840 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.717 -3.903 -3.958 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.856 -6.059 -2.185 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.919 -4.197 -3.309 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.991 -5.274 -2.420 1.00 0.00 C ATOM 0 H PHE A 78 -0.400 -6.348 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.921 -5.706 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.512 -4.133 -5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.115 -3.410 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.222 -6.370 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.665 -3.069 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.907 -6.892 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.794 -3.591 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.919 -5.499 -1.916 1.00 0.00 H new ATOM 1044 N PHE A 79 -4.052 -4.892 -4.121 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.373 -4.484 -4.668 1.00 0.00 C ATOM 1046 C PHE A 79 -5.752 -3.120 -4.096 1.00 0.00 C ATOM 1047 O PHE A 79 -5.872 -2.945 -2.900 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.361 -5.543 -4.197 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.867 -6.917 -4.585 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -6.185 -7.442 -5.843 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.095 -7.670 -3.689 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.734 -8.716 -6.206 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.645 -8.944 -4.052 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.965 -9.467 -5.311 1.00 0.00 C ATOM 0 H PHE A 79 -4.022 -5.014 -3.109 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.364 -4.405 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.483 -5.483 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.341 -5.361 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.779 -6.863 -6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.848 -7.266 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.980 -9.119 -7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.051 -9.524 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.618 -10.451 -5.591 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.930 -2.157 -4.944 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.295 -0.794 -4.461 1.00 0.00 C ATOM 1066 C VAL A 80 -7.630 -0.359 -5.067 1.00 0.00 C ATOM 1067 O VAL A 80 -7.794 -0.326 -6.270 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.163 0.119 -4.939 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.180 1.412 -4.124 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.815 -0.582 -4.746 1.00 0.00 C ATOM 0 H VAL A 80 -5.840 -2.249 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.412 -0.759 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.304 0.345 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.375 2.065 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.137 1.915 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.040 1.179 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.013 0.072 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.672 -0.811 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.800 -1.507 -5.323 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.586 -0.023 -4.245 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.910 0.410 -4.780 1.00 0.00 C ATOM 1082 C ASN A 81 -10.416 -0.593 -5.820 1.00 0.00 C ATOM 1083 O ASN A 81 -10.940 -0.222 -6.851 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.649 1.770 -5.428 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.065 2.882 -4.462 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -10.787 3.875 -4.903 1.00 0.00 O flip ATOM 1087 ND2 ASN A 81 -9.730 2.846 -3.295 1.00 0.00 N flip ATOM 0 H ASN A 81 -8.509 -0.029 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.671 0.468 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.593 1.868 -5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.208 1.855 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.165 2.070 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.013 3.592 -2.660 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.264 -1.862 -5.557 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.738 -2.891 -6.528 1.00 0.00 C ATOM 1096 C ASN A 82 -9.982 -2.761 -7.853 1.00 0.00 C ATOM 1097 O ASN A 82 -10.532 -2.971 -8.916 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.225 -2.592 -6.728 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.883 -2.338 -5.369 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.644 -1.323 -4.746 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.707 -3.224 -4.882 1.00 0.00 N ATOM 0 H ASN A 82 -9.831 -2.232 -4.711 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.570 -3.906 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.348 -1.721 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.711 -3.430 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.151 -3.065 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.907 -4.076 -5.406 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.725 -2.419 -7.797 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.933 -2.278 -9.055 1.00 0.00 C ATOM 1110 C VAL A 83 -6.568 -2.953 -8.891 1.00 0.00 C ATOM 1111 O VAL A 83 -6.161 -3.284 -7.795 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.763 -0.771 -9.268 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.442 -0.495 -10.738 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.056 -0.040 -8.891 1.00 0.00 C ATOM 0 H VAL A 83 -8.211 -2.231 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.428 -2.749 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.948 -0.414 -8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.321 0.578 -10.889 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.519 -1.006 -11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.257 -0.860 -11.363 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.927 1.031 -9.045 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.873 -0.401 -9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.289 -0.230 -7.843 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.856 -3.141 -9.972 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.514 -3.793 -9.900 1.00 0.00 C ATOM 1126 C ILE A 84 -3.666 -3.348 -11.095 1.00 0.00 C ATOM 1127 O ILE A 84 -3.373 -4.132 -11.975 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.771 -5.303 -10.017 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -6.032 -5.717 -9.247 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.571 -6.065 -9.453 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.276 -5.391 -10.077 1.00 0.00 C ATOM 0 H ILE A 84 -6.150 -2.868 -10.910 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.993 -3.532 -8.979 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.916 -5.542 -11.071 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.000 -6.784 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.074 -5.194 -8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.750 -7.137 -9.534 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.676 -5.803 -10.017 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.431 -5.799 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.169 -5.687 -9.526 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.310 -4.320 -10.276 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.236 -5.934 -11.021 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.304 -2.093 -11.085 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.486 -1.525 -12.185 1.00 0.00 C ATOM 1145 C PRO A 85 -1.035 -2.009 -12.093 1.00 0.00 C ATOM 1146 O PRO A 85 -0.602 -2.490 -11.064 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.570 -0.020 -11.951 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.862 0.133 -10.491 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.621 -1.095 -10.057 1.00 0.00 C ATOM 0 HA PRO A 85 -2.838 -1.823 -13.173 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.636 0.473 -12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.355 0.430 -12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.938 0.235 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.449 1.033 -10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.308 -1.428 -9.068 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.693 -0.903 -10.004 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.332 -1.854 -13.182 1.00 0.00 N ATOM 1158 CA PRO A 86 1.093 -2.269 -13.245 1.00 0.00 C ATOM 1159 C PRO A 86 1.965 -1.309 -12.433 1.00 0.00 C ATOM 1160 O PRO A 86 1.478 -0.379 -11.820 1.00 0.00 O ATOM 1161 CB PRO A 86 1.425 -2.179 -14.733 1.00 0.00 C ATOM 1162 CG PRO A 86 0.454 -1.187 -15.287 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.796 -1.280 -14.451 1.00 0.00 C ATOM 0 HA PRO A 86 1.270 -3.262 -12.832 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.454 -1.854 -14.889 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.320 -3.148 -15.220 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.869 -0.180 -15.250 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.236 -1.404 -16.333 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.251 -0.301 -14.303 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.547 -1.913 -14.924 1.00 0.00 H new ATOM 1171 N THR A 87 3.250 -1.529 -12.425 1.00 0.00 N ATOM 1172 CA THR A 87 4.157 -0.627 -11.651 1.00 0.00 C ATOM 1173 C THR A 87 4.534 0.605 -12.476 1.00 0.00 C ATOM 1174 O THR A 87 5.532 1.253 -12.226 1.00 0.00 O ATOM 1175 CB THR A 87 5.406 -1.453 -11.347 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.585 -2.443 -12.352 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.261 -2.127 -9.982 1.00 0.00 C ATOM 0 H THR A 87 3.713 -2.292 -12.919 1.00 0.00 H new ATOM 0 HA THR A 87 3.673 -0.268 -10.743 1.00 0.00 H new ATOM 0 HB THR A 87 6.274 -0.794 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.143 -3.273 -12.076 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.154 -2.715 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.136 -1.366 -9.212 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.389 -2.781 -9.990 1.00 0.00 H new ATOM 1185 N SER A 88 3.742 0.935 -13.450 1.00 0.00 N ATOM 1186 CA SER A 88 4.040 2.127 -14.293 1.00 0.00 C ATOM 1187 C SER A 88 3.294 3.345 -13.744 1.00 0.00 C ATOM 1188 O SER A 88 2.744 4.138 -14.482 1.00 0.00 O ATOM 1189 CB SER A 88 3.530 1.767 -15.688 1.00 0.00 C ATOM 1190 OG SER A 88 3.909 2.785 -16.604 1.00 0.00 O ATOM 0 H SER A 88 2.894 0.429 -13.703 1.00 0.00 H new ATOM 0 HA SER A 88 5.101 2.376 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.942 0.808 -16.002 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.445 1.659 -15.675 1.00 0.00 H new ATOM 0 HG SER A 88 3.602 3.655 -16.272 1.00 0.00 H new ATOM 1196 N ALA A 89 3.268 3.487 -12.449 1.00 0.00 N ATOM 1197 CA ALA A 89 2.554 4.642 -11.832 1.00 0.00 C ATOM 1198 C ALA A 89 3.285 5.106 -10.576 1.00 0.00 C ATOM 1199 O ALA A 89 4.371 4.658 -10.270 1.00 0.00 O ATOM 1200 CB ALA A 89 1.170 4.100 -11.473 1.00 0.00 C ATOM 0 H ALA A 89 3.712 2.851 -11.787 1.00 0.00 H new ATOM 0 HA ALA A 89 2.499 5.500 -12.502 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.578 4.891 -11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.670 3.752 -12.377 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.274 3.270 -10.774 1.00 0.00 H new ATOM 1206 N THR A 90 2.692 6.007 -9.855 1.00 0.00 N ATOM 1207 CA THR A 90 3.341 6.520 -8.613 1.00 0.00 C ATOM 1208 C THR A 90 2.298 6.696 -7.507 1.00 0.00 C ATOM 1209 O THR A 90 1.186 7.118 -7.749 1.00 0.00 O ATOM 1210 CB THR A 90 3.938 7.871 -9.009 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.893 8.754 -9.391 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.903 7.681 -10.180 1.00 0.00 C ATOM 0 H THR A 90 1.782 6.415 -10.068 1.00 0.00 H new ATOM 0 HA THR A 90 4.098 5.837 -8.229 1.00 0.00 H new ATOM 0 HB THR A 90 4.479 8.293 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.273 9.621 -9.644 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.328 8.645 -10.461 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.704 7.003 -9.885 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.366 7.259 -11.030 1.00 0.00 H new ATOM 1220 N MET A 91 2.646 6.368 -6.294 1.00 0.00 N ATOM 1221 CA MET A 91 1.666 6.509 -5.177 1.00 0.00 C ATOM 1222 C MET A 91 1.022 7.897 -5.209 1.00 0.00 C ATOM 1223 O MET A 91 -0.167 8.046 -5.006 1.00 0.00 O ATOM 1224 CB MET A 91 2.478 6.323 -3.892 1.00 0.00 C ATOM 1225 CG MET A 91 2.892 4.855 -3.757 1.00 0.00 C ATOM 1226 SD MET A 91 1.639 3.962 -2.803 1.00 0.00 S ATOM 1227 CE MET A 91 2.550 3.891 -1.241 1.00 0.00 C ATOM 0 H MET A 91 3.563 6.010 -6.027 1.00 0.00 H new ATOM 0 HA MET A 91 0.858 5.781 -5.251 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.362 6.961 -3.912 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.886 6.626 -3.028 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.003 4.405 -4.743 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.861 4.783 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.097 3.144 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.587 3.620 -1.437 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.515 4.866 -0.755 1.00 0.00 H new ATOM 1237 N GLY A 92 1.799 8.913 -5.458 1.00 0.00 N ATOM 1238 CA GLY A 92 1.232 10.290 -5.498 1.00 0.00 C ATOM 1239 C GLY A 92 0.025 10.335 -6.433 1.00 0.00 C ATOM 1240 O GLY A 92 -1.014 10.865 -6.094 1.00 0.00 O ATOM 0 H GLY A 92 2.801 8.850 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.937 10.599 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.991 10.994 -5.838 1.00 0.00 H new ATOM 1244 N GLN A 93 0.154 9.788 -7.606 1.00 0.00 N ATOM 1245 CA GLN A 93 -0.992 9.810 -8.559 1.00 0.00 C ATOM 1246 C GLN A 93 -2.154 8.984 -7.998 1.00 0.00 C ATOM 1247 O GLN A 93 -3.308 9.271 -8.247 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.442 9.217 -9.872 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.792 7.727 -9.992 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.381 7.217 -11.374 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -1.015 6.339 -11.924 1.00 0.00 O ATOM 1252 NE2 GLN A 93 0.662 7.734 -11.963 1.00 0.00 N ATOM 0 H GLN A 93 0.998 9.328 -7.948 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.384 10.813 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.855 9.761 -10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.640 9.344 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.280 7.158 -9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.862 7.580 -9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.195 8.471 -11.502 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.945 7.401 -12.885 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.859 7.964 -7.238 1.00 0.00 N ATOM 1262 CA LEU A 94 -2.951 7.133 -6.662 1.00 0.00 C ATOM 1263 C LEU A 94 -3.730 7.939 -5.624 1.00 0.00 C ATOM 1264 O LEU A 94 -4.875 7.664 -5.340 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.244 5.924 -6.031 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.173 6.050 -4.502 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.454 5.491 -3.884 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -0.973 5.257 -3.984 1.00 0.00 C ATOM 0 H LEU A 94 -0.913 7.672 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.678 6.815 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.775 5.010 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.236 5.837 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.065 7.099 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.404 5.580 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.312 6.052 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.562 4.441 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.920 5.345 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.084 4.208 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.058 5.652 -4.425 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.117 8.927 -5.046 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.840 9.724 -4.027 1.00 0.00 C ATOM 1282 C TYR A 95 -5.206 10.145 -4.573 1.00 0.00 C ATOM 1283 O TYR A 95 -6.227 9.859 -3.988 1.00 0.00 O ATOM 1284 CB TYR A 95 -2.950 10.940 -3.760 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.002 11.275 -2.293 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.797 10.269 -1.346 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.263 12.587 -1.880 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.853 10.573 0.020 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.318 12.892 -0.515 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.112 11.885 0.436 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.169 12.186 1.781 1.00 0.00 O ATOM 0 H TYR A 95 -2.156 9.215 -5.232 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.026 9.164 -3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.924 10.729 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.288 11.791 -4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.595 9.258 -1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.422 13.363 -2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.696 9.795 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.519 13.904 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.989 12.689 1.969 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.238 10.810 -5.693 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.547 11.237 -6.270 1.00 0.00 C ATOM 1303 C GLN A 96 -7.343 10.031 -6.788 1.00 0.00 C ATOM 1304 O GLN A 96 -8.532 10.122 -7.025 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.182 12.172 -7.423 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.436 12.900 -7.909 1.00 0.00 C ATOM 1307 CD GLN A 96 -7.050 14.285 -8.432 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -7.322 14.615 -9.569 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -6.425 15.115 -7.644 1.00 0.00 N ATOM 0 H GLN A 96 -4.416 11.077 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.177 11.723 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.434 12.894 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.740 11.603 -8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.922 12.324 -8.697 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.154 12.994 -7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.197 14.838 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.165 16.041 -7.982 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.699 8.915 -7.000 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.428 7.727 -7.539 1.00 0.00 C ATOM 1320 C GLU A 97 -8.059 6.873 -6.426 1.00 0.00 C ATOM 1321 O GLU A 97 -9.265 6.778 -6.324 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.368 6.926 -8.297 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.347 7.369 -9.762 1.00 0.00 C ATOM 1324 CD GLU A 97 -7.197 6.411 -10.598 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -7.644 5.416 -10.052 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -7.387 6.690 -11.770 1.00 0.00 O ATOM 0 H GLU A 97 -5.704 8.773 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.259 8.033 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.388 7.080 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.586 5.860 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.732 8.385 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.323 7.382 -10.134 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.264 6.219 -5.620 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.832 5.345 -4.563 1.00 0.00 C ATOM 1335 C HIS A 98 -7.848 6.037 -3.195 1.00 0.00 C ATOM 1336 O HIS A 98 -7.610 5.416 -2.175 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.883 4.159 -4.546 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.791 3.576 -5.926 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.838 3.637 -6.830 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.778 2.914 -6.566 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.434 3.027 -7.959 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -6.184 2.566 -7.852 1.00 0.00 N ATOM 0 H HIS A 98 -6.245 6.255 -5.652 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.869 5.075 -4.762 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.896 4.473 -4.205 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.238 3.405 -3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.811 2.695 -6.139 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.045 2.923 -8.843 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.644 2.067 -8.559 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.144 7.306 -3.158 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.195 8.012 -1.843 1.00 0.00 C ATOM 1352 C HIS A 99 -9.232 7.342 -0.948 1.00 0.00 C ATOM 1353 O HIS A 99 -9.221 7.482 0.258 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.607 9.447 -2.170 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.874 9.466 -2.966 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -11.061 8.914 -2.512 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -10.147 9.992 -4.192 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -11.990 9.120 -3.465 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -11.484 9.774 -4.515 1.00 0.00 N ATOM 0 H HIS A 99 -8.352 7.883 -3.973 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.242 7.984 -1.315 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.743 10.011 -1.247 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.812 9.940 -2.730 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.433 10.503 -4.821 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -13.018 8.796 -3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -11.971 10.053 -5.367 1.00 0.00 H new ATOM 1367 N GLU A 100 -10.125 6.613 -1.547 1.00 0.00 N ATOM 1368 CA GLU A 100 -11.191 5.908 -0.763 1.00 0.00 C ATOM 1369 C GLU A 100 -12.214 6.916 -0.229 1.00 0.00 C ATOM 1370 O GLU A 100 -13.280 7.083 -0.786 1.00 0.00 O ATOM 1371 CB GLU A 100 -10.461 5.214 0.390 1.00 0.00 C ATOM 1372 CG GLU A 100 -10.752 3.712 0.346 1.00 0.00 C ATOM 1373 CD GLU A 100 -12.263 3.482 0.409 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -12.885 4.005 1.319 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -12.772 2.785 -0.454 1.00 0.00 O ATOM 0 H GLU A 100 -10.169 6.469 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.741 5.194 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.388 5.390 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.785 5.631 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.345 3.279 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.262 3.211 1.181 1.00 0.00 H new ATOM 1382 N GLU A 101 -11.901 7.589 0.845 1.00 0.00 N ATOM 1383 CA GLU A 101 -12.859 8.583 1.405 1.00 0.00 C ATOM 1384 C GLU A 101 -12.207 9.966 1.464 1.00 0.00 C ATOM 1385 O GLU A 101 -12.633 10.892 0.804 1.00 0.00 O ATOM 1386 CB GLU A 101 -13.178 8.077 2.812 1.00 0.00 C ATOM 1387 CG GLU A 101 -14.494 7.297 2.787 1.00 0.00 C ATOM 1388 CD GLU A 101 -14.427 6.152 3.800 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -13.659 5.231 3.574 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -15.145 6.216 4.784 1.00 0.00 O ATOM 0 H GLU A 101 -11.024 7.493 1.358 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.758 8.682 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.371 7.439 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.253 8.916 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.326 7.959 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.676 6.902 1.787 1.00 0.00 H new ATOM 1397 N ASP A 102 -11.176 10.112 2.249 1.00 0.00 N ATOM 1398 CA ASP A 102 -10.497 11.436 2.348 1.00 0.00 C ATOM 1399 C ASP A 102 -9.445 11.410 3.459 1.00 0.00 C ATOM 1400 O ASP A 102 -9.510 10.601 4.364 1.00 0.00 O ATOM 1401 CB ASP A 102 -11.609 12.430 2.687 1.00 0.00 C ATOM 1402 CG ASP A 102 -11.630 13.550 1.644 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -10.665 13.662 0.906 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -12.609 14.274 1.601 1.00 0.00 O ATOM 0 H ASP A 102 -10.774 9.373 2.826 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.980 11.703 1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.572 11.921 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.447 12.847 3.681 1.00 0.00 H new ATOM 1409 N PHE A 103 -8.477 12.292 3.391 1.00 0.00 N ATOM 1410 CA PHE A 103 -7.401 12.348 4.436 1.00 0.00 C ATOM 1411 C PHE A 103 -6.353 11.244 4.223 1.00 0.00 C ATOM 1412 O PHE A 103 -5.241 11.340 4.701 1.00 0.00 O ATOM 1413 CB PHE A 103 -8.115 12.164 5.779 1.00 0.00 C ATOM 1414 CG PHE A 103 -7.308 12.821 6.871 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -6.074 12.282 7.246 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -7.796 13.968 7.508 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -5.323 12.891 8.259 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -7.047 14.577 8.522 1.00 0.00 C ATOM 1419 CZ PHE A 103 -5.811 14.039 8.897 1.00 0.00 C ATOM 0 H PHE A 103 -8.384 12.984 2.648 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.860 13.293 4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -9.112 12.601 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.241 11.103 5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.700 11.396 6.755 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.750 14.383 7.217 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.369 12.476 8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.423 15.462 9.014 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.233 14.509 9.679 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.688 10.198 3.513 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.694 9.107 3.286 1.00 0.00 C ATOM 1431 C PHE A 104 -6.178 8.164 2.180 1.00 0.00 C ATOM 1432 O PHE A 104 -7.299 8.254 1.720 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.610 8.366 4.621 1.00 0.00 C ATOM 1434 CG PHE A 104 -7.002 8.096 5.136 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -7.809 7.141 4.505 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -7.489 8.801 6.244 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -9.101 6.890 4.983 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -8.780 8.550 6.721 1.00 0.00 C ATOM 1439 CZ PHE A 104 -9.587 7.596 6.091 1.00 0.00 C ATOM 0 H PHE A 104 -7.601 10.052 3.083 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.725 9.493 2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.069 7.428 4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.052 8.961 5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.435 6.598 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.868 9.539 6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.723 6.152 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.154 9.093 7.576 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.584 7.404 6.459 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.338 7.260 1.750 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.749 6.308 0.673 1.00 0.00 C ATOM 1451 C LEU A 105 -5.856 4.886 1.251 1.00 0.00 C ATOM 1452 O LEU A 105 -5.457 4.640 2.372 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.640 6.433 -0.393 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.616 5.300 -0.259 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.013 4.143 -1.175 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.233 5.815 -0.663 1.00 0.00 C ATOM 0 H LEU A 105 -4.386 7.139 2.096 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.727 6.526 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.084 6.411 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.138 7.395 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.590 4.954 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.285 3.337 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.999 3.776 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.038 4.489 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.503 5.011 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.261 6.160 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.948 6.642 -0.012 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.402 3.951 0.515 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.529 2.567 1.063 1.00 0.00 C ATOM 1470 C TYR A 106 -5.908 1.536 0.105 1.00 0.00 C ATOM 1471 O TYR A 106 -6.251 1.467 -1.059 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.044 2.356 1.213 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.395 0.894 1.053 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.470 0.336 -0.227 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -8.641 0.102 2.179 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.794 -1.017 -0.382 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -8.965 -1.252 2.025 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.041 -1.811 0.744 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.360 -3.145 0.591 1.00 0.00 O ATOM 0 H TYR A 106 -6.761 4.083 -0.430 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.002 2.441 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.371 2.709 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.575 2.947 0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.278 0.949 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.581 0.534 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.853 -1.448 -1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.156 -1.864 2.894 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.500 -3.551 1.472 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.007 0.724 0.598 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.374 -0.318 -0.266 1.00 0.00 C ATOM 1491 C ILE A 107 -4.188 -1.611 0.538 1.00 0.00 C ATOM 1492 O ILE A 107 -3.968 -1.583 1.733 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.015 0.263 -0.680 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.199 1.171 -1.896 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.050 -0.870 -1.047 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.903 1.938 -2.161 1.00 0.00 C ATOM 0 H ILE A 107 -4.682 0.738 1.565 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.983 -0.561 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.605 0.833 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.467 0.577 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.018 1.869 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.088 -0.448 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.913 -1.524 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.462 -1.444 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.034 2.585 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.654 2.544 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.095 1.232 -2.354 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.271 -2.743 -0.106 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.092 -4.028 0.628 1.00 0.00 C ATOM 1510 C ALA A 108 -3.334 -5.030 -0.237 1.00 0.00 C ATOM 1511 O ALA A 108 -2.963 -4.737 -1.355 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.508 -4.526 0.914 1.00 0.00 C ATOM 0 H ALA A 108 -4.454 -2.834 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.515 -3.901 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.459 -5.471 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.037 -3.790 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.039 -4.673 -0.027 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.097 -6.210 0.264 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.361 -7.212 -0.558 1.00 0.00 C ATOM 1520 C TYR A 109 -2.780 -8.640 -0.214 1.00 0.00 C ATOM 1521 O TYR A 109 -3.362 -8.909 0.818 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.874 -7.011 -0.255 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.658 -6.668 1.202 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.921 -5.372 1.660 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.169 -7.638 2.086 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.696 -5.047 3.002 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.052 -7.312 3.428 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.209 -6.017 3.886 1.00 0.00 C ATOM 1529 OH TYR A 109 0.015 -5.692 5.210 1.00 0.00 O ATOM 0 H TYR A 109 -3.376 -6.522 1.194 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.582 -7.069 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.323 -7.918 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.476 -6.214 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.297 -4.624 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.037 -8.637 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.898 -4.047 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.425 -8.061 4.111 1.00 0.00 H new ATOM 0 HH TYR A 109 0.737 -6.250 5.566 1.00 0.00 H new ATOM 1539 N SER A 110 -2.471 -9.552 -1.090 1.00 0.00 N ATOM 1540 CA SER A 110 -2.822 -10.983 -0.860 1.00 0.00 C ATOM 1541 C SER A 110 -1.934 -11.875 -1.731 1.00 0.00 C ATOM 1542 O SER A 110 -1.248 -11.404 -2.617 1.00 0.00 O ATOM 1543 CB SER A 110 -4.285 -11.110 -1.281 1.00 0.00 C ATOM 1544 OG SER A 110 -5.011 -11.780 -0.259 1.00 0.00 O ATOM 0 H SER A 110 -1.984 -9.367 -1.967 1.00 0.00 H new ATOM 0 HA SER A 110 -2.675 -11.288 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.711 -10.123 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.359 -11.662 -2.218 1.00 0.00 H new ATOM 0 HG SER A 110 -5.736 -12.303 -0.662 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.940 -13.157 -1.494 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.094 -14.066 -2.319 1.00 0.00 C ATOM 1552 C ASP A 111 -1.945 -15.200 -2.897 1.00 0.00 C ATOM 1553 O ASP A 111 -1.463 -16.289 -3.140 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.040 -14.616 -1.354 1.00 0.00 C ATOM 1555 CG ASP A 111 -0.673 -15.672 -0.446 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -1.889 -15.714 -0.376 1.00 0.00 O ATOM 1557 OD2 ASP A 111 0.072 -16.421 0.165 1.00 0.00 O ATOM 0 H ASP A 111 -2.492 -13.614 -0.768 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.638 -13.552 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.787 -15.053 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.374 -13.807 -0.753 1.00 0.00 H new ATOM 1562 N GLU A 112 -3.207 -14.954 -3.118 1.00 0.00 N ATOM 1563 CA GLU A 112 -4.088 -16.017 -3.680 1.00 0.00 C ATOM 1564 C GLU A 112 -4.112 -17.230 -2.747 1.00 0.00 C ATOM 1565 O GLU A 112 -3.125 -17.564 -2.120 1.00 0.00 O ATOM 1566 CB GLU A 112 -3.457 -16.385 -5.024 1.00 0.00 C ATOM 1567 CG GLU A 112 -4.163 -15.620 -6.145 1.00 0.00 C ATOM 1568 CD GLU A 112 -4.405 -16.557 -7.330 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -3.443 -16.887 -8.004 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -5.548 -16.926 -7.542 1.00 0.00 O ATOM 0 H GLU A 112 -3.667 -14.062 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.119 -15.683 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.394 -16.143 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.538 -17.459 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.111 -15.220 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.556 -14.770 -6.458 1.00 0.00 H new ATOM 1577 N SER A 113 -5.230 -17.894 -2.649 1.00 0.00 N ATOM 1578 CA SER A 113 -5.315 -19.084 -1.756 1.00 0.00 C ATOM 1579 C SER A 113 -5.401 -20.364 -2.593 1.00 0.00 C ATOM 1580 O SER A 113 -5.709 -21.426 -2.091 1.00 0.00 O ATOM 1581 CB SER A 113 -6.596 -18.883 -0.948 1.00 0.00 C ATOM 1582 OG SER A 113 -6.711 -19.922 0.015 1.00 0.00 O ATOM 0 H SER A 113 -6.089 -17.664 -3.149 1.00 0.00 H new ATOM 0 HA SER A 113 -4.441 -19.183 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.579 -17.912 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.462 -18.887 -1.610 1.00 0.00 H new ATOM 0 HG SER A 113 -6.383 -20.762 -0.369 1.00 0.00 H new ATOM 1588 N VAL A 114 -5.132 -20.268 -3.866 1.00 0.00 N ATOM 1589 CA VAL A 114 -5.198 -21.479 -4.735 1.00 0.00 C ATOM 1590 C VAL A 114 -3.825 -22.152 -4.811 1.00 0.00 C ATOM 1591 O VAL A 114 -2.822 -21.586 -4.421 1.00 0.00 O ATOM 1592 CB VAL A 114 -5.620 -20.955 -6.109 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -4.443 -20.233 -6.768 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -6.055 -22.129 -6.989 1.00 0.00 C ATOM 0 H VAL A 114 -4.870 -19.405 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.894 -22.226 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 114 -6.450 -20.259 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.746 -19.861 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -4.133 -19.397 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.610 -20.927 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.356 -21.758 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.224 -22.825 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -6.895 -22.642 -6.522 1.00 0.00 H new ATOM 1604 N TYR A 115 -3.770 -23.358 -5.309 1.00 0.00 N ATOM 1605 CA TYR A 115 -2.463 -24.068 -5.407 1.00 0.00 C ATOM 1606 C TYR A 115 -1.684 -23.582 -6.632 1.00 0.00 C ATOM 1607 O TYR A 115 -1.932 -22.514 -7.155 1.00 0.00 O ATOM 1608 CB TYR A 115 -2.825 -25.546 -5.554 1.00 0.00 C ATOM 1609 CG TYR A 115 -1.916 -26.376 -4.679 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -0.615 -25.935 -4.405 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -2.372 -27.586 -4.144 1.00 0.00 C ATOM 1612 CE1 TYR A 115 0.229 -26.705 -3.595 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -1.529 -28.356 -3.334 1.00 0.00 C ATOM 1614 CZ TYR A 115 -0.229 -27.915 -3.059 1.00 0.00 C ATOM 1615 OH TYR A 115 0.603 -28.675 -2.260 1.00 0.00 O ATOM 0 H TYR A 115 -4.575 -23.882 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 115 -1.830 -23.887 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -3.865 -25.706 -5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -2.726 -25.854 -6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -0.263 -25.001 -4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -3.375 -27.926 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.232 -26.366 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.881 -29.290 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 115 0.130 -29.483 -1.970 1.00 0.00 H new ATOM 1625 N GLY A 116 -0.745 -24.361 -7.091 1.00 0.00 N ATOM 1626 CA GLY A 116 0.050 -23.952 -8.278 1.00 0.00 C ATOM 1627 C GLY A 116 1.160 -22.991 -7.848 1.00 0.00 C ATOM 1628 O GLY A 116 1.554 -22.958 -6.699 1.00 0.00 O ATOM 0 H GLY A 116 -0.494 -25.266 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.482 -24.830 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.596 -23.471 -9.013 1.00 0.00 H new ATOM 1632 N LEU A 117 1.667 -22.209 -8.760 1.00 0.00 N ATOM 1633 CA LEU A 117 2.752 -21.251 -8.402 1.00 0.00 C ATOM 1634 C LEU A 117 2.343 -20.420 -7.182 1.00 0.00 C ATOM 1635 O LEU A 117 2.916 -20.630 -6.127 1.00 0.00 O ATOM 1636 CB LEU A 117 2.914 -20.357 -9.632 1.00 0.00 C ATOM 1637 CG LEU A 117 3.396 -21.198 -10.814 1.00 0.00 C ATOM 1638 CD1 LEU A 117 2.799 -20.647 -12.110 1.00 0.00 C ATOM 1639 CD2 LEU A 117 4.923 -21.140 -10.892 1.00 0.00 C ATOM 1640 OXT LEU A 117 1.462 -19.588 -7.327 1.00 0.00 O ATOM 0 H LEU A 117 1.377 -22.191 -9.738 1.00 0.00 H new ATOM 0 HA LEU A 117 3.681 -21.758 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.965 -19.879 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.628 -19.560 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 117 3.077 -22.231 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.143 -21.247 -12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.711 -20.688 -12.056 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.117 -19.613 -12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.267 -21.740 -11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.241 -20.106 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.350 -21.533 -9.969 1.00 0.00 H new TER 1652 LEU A 117