USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 51 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.5!) USER MOD Set 1.2: B -1 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= -1.17 (180deg=-2.93!) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 0.714 (180deg=0.401) USER MOD Single : A 26 GLN : amide:sc=-0.00881 X(o=-0.0088,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 57:sc= 0.771 USER MOD Single : A 42 SER OG : rot 85:sc= -0.275! USER MOD Single : A 46 THR OG1 : rot -167:sc= -2.85! USER MOD Single : A 52 MET CE :methyl 147:sc= -3.46! (180deg=-3.86!) USER MOD Single : A 53 MET CE :methyl -157:sc= -3.04! (180deg=-5.06!) USER MOD Single : A 54 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -120:sc= -0.198 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.0046) USER MOD Single : A 69 GLN : amide:sc= -6.99 K(o=-7,f=-17!) USER MOD Single : A 71 MET CE :methyl -140:sc= -8.45! (180deg=-16.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.26) USER MOD Single : A 76 THR OG1 : rot 86:sc= 0.139 USER MOD Single : A 77 SER OG : rot 19:sc= 0.0831 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -140:sc= -0.754 USER MOD Single : A 86 CYS SG : rot 87:sc= -0.0525 USER MOD Single : A 87 GLN : amide:sc= -4.4! K(o=-4.4!,f=-1.4) USER MOD Single : A 88 SER OG : rot 74:sc= 0.203 USER MOD Single : A 91 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0738) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.4!) USER MOD Single : A 96 GLN : amide:sc= -1.83 K(o=-1.8,f=-5.8!) USER MOD Single : A 97 SER OG : rot -5:sc= 1.23 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -2.54 K(o=-2.5,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.307 -9.309 -9.029 1.00 0.00 N ATOM 2 CA GLU A 17 -14.064 -9.261 -9.794 1.00 0.00 C ATOM 3 C GLU A 17 -13.231 -8.038 -9.424 1.00 0.00 C ATOM 4 O GLU A 17 -13.760 -7.026 -8.965 1.00 0.00 O ATOM 5 CB GLU A 17 -14.367 -9.246 -11.292 1.00 0.00 C ATOM 6 CG GLU A 17 -15.444 -8.250 -11.687 1.00 0.00 C ATOM 7 CD GLU A 17 -15.181 -7.609 -13.037 1.00 0.00 C ATOM 8 OE1 GLU A 17 -14.716 -8.323 -13.950 1.00 0.00 O ATOM 9 OE2 GLU A 17 -15.440 -6.397 -13.179 1.00 0.00 O ATOM 0 HA GLU A 17 -13.487 -10.153 -9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.452 -9.013 -11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.677 -10.244 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.409 -8.755 -11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.510 -7.472 -10.927 1.00 0.00 H new ATOM 16 N PHE A 18 -11.921 -8.141 -9.634 1.00 0.00 N ATOM 17 CA PHE A 18 -11.006 -7.046 -9.333 1.00 0.00 C ATOM 18 C PHE A 18 -11.358 -5.807 -10.143 1.00 0.00 C ATOM 19 O PHE A 18 -11.897 -5.907 -11.245 1.00 0.00 O ATOM 20 CB PHE A 18 -9.566 -7.453 -9.645 1.00 0.00 C ATOM 21 CG PHE A 18 -8.864 -8.130 -8.505 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.175 -9.434 -8.167 1.00 0.00 C ATOM 23 CD2 PHE A 18 -7.890 -7.465 -7.779 1.00 0.00 C ATOM 24 CE1 PHE A 18 -8.528 -10.068 -7.124 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.239 -8.092 -6.734 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.559 -9.396 -6.407 1.00 0.00 C ATOM 0 H PHE A 18 -11.470 -8.974 -10.012 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.100 -6.818 -8.271 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.566 -8.121 -10.506 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.002 -6.565 -9.930 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.933 -9.963 -8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.637 -6.446 -8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.780 -11.087 -6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.482 -7.564 -6.174 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.051 -9.889 -5.591 1.00 0.00 H new ATOM 36 N LYS A 19 -11.036 -4.639 -9.600 1.00 0.00 N ATOM 37 CA LYS A 19 -11.306 -3.390 -10.290 1.00 0.00 C ATOM 38 C LYS A 19 -10.485 -2.248 -9.703 1.00 0.00 C ATOM 39 O LYS A 19 -10.540 -1.975 -8.502 1.00 0.00 O ATOM 40 CB LYS A 19 -12.797 -3.052 -10.224 1.00 0.00 C ATOM 41 CG LYS A 19 -13.364 -3.073 -8.815 1.00 0.00 C ATOM 42 CD LYS A 19 -14.338 -1.928 -8.590 1.00 0.00 C ATOM 43 CE LYS A 19 -13.633 -0.582 -8.615 1.00 0.00 C ATOM 44 NZ LYS A 19 -13.695 0.054 -9.961 1.00 0.00 N ATOM 0 H LYS A 19 -10.590 -4.534 -8.689 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.018 -3.517 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.956 -2.064 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.349 -3.762 -10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.870 -4.022 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.550 -3.007 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.110 -1.950 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.840 -2.059 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.089 0.080 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.591 -0.713 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.745 0.063 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.341 -0.486 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.042 1.030 -9.868 1.00 0.00 H new ATOM 58 N ASP A 20 -9.728 -1.588 -10.569 1.00 0.00 N ATOM 59 CA ASP A 20 -8.890 -0.464 -10.170 1.00 0.00 C ATOM 60 C ASP A 20 -9.744 0.734 -9.774 1.00 0.00 C ATOM 61 O ASP A 20 -10.523 1.246 -10.578 1.00 0.00 O ATOM 62 CB ASP A 20 -7.945 -0.077 -11.309 1.00 0.00 C ATOM 63 CG ASP A 20 -7.164 -1.262 -11.840 1.00 0.00 C ATOM 64 OD1 ASP A 20 -7.797 -2.217 -12.336 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.918 -1.236 -11.760 1.00 0.00 O ATOM 0 H ASP A 20 -9.677 -1.814 -11.562 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.300 -0.770 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.521 0.368 -12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.249 0.685 -10.957 1.00 0.00 H new ATOM 70 N VAL A 21 -9.587 1.180 -8.534 1.00 0.00 N ATOM 71 CA VAL A 21 -10.338 2.321 -8.034 1.00 0.00 C ATOM 72 C VAL A 21 -9.462 3.561 -7.997 1.00 0.00 C ATOM 73 O VAL A 21 -8.258 3.473 -7.767 1.00 0.00 O ATOM 74 CB VAL A 21 -10.894 2.065 -6.618 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.871 3.163 -6.225 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.558 0.698 -6.537 1.00 0.00 C ATOM 0 H VAL A 21 -8.945 0.768 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.174 2.474 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.061 2.077 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.254 2.968 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.360 4.126 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.700 3.183 -6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.943 0.539 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.380 0.650 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.827 -0.076 -6.772 1.00 0.00 H new ATOM 86 N PHE A 22 -10.069 4.718 -8.226 1.00 0.00 N ATOM 87 CA PHE A 22 -9.334 5.971 -8.215 1.00 0.00 C ATOM 88 C PHE A 22 -10.150 7.072 -7.548 1.00 0.00 C ATOM 89 O PHE A 22 -11.097 7.597 -8.133 1.00 0.00 O ATOM 90 CB PHE A 22 -8.960 6.384 -9.640 1.00 0.00 C ATOM 91 CG PHE A 22 -7.528 6.812 -9.776 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.519 6.099 -9.151 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.191 7.930 -10.523 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.202 6.490 -9.268 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.872 8.325 -10.642 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.877 7.602 -10.012 1.00 0.00 C ATOM 0 H PHE A 22 -11.066 4.813 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.420 5.822 -7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.148 5.549 -10.314 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.608 7.201 -9.956 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.766 5.226 -8.565 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.966 8.497 -11.016 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.425 5.924 -8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.619 9.197 -11.226 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.846 7.909 -10.103 1.00 0.00 H new ATOM 106 N ILE A 23 -9.778 7.413 -6.322 1.00 0.00 N ATOM 107 CA ILE A 23 -10.475 8.447 -5.573 1.00 0.00 C ATOM 108 C ILE A 23 -9.634 9.715 -5.479 1.00 0.00 C ATOM 109 O ILE A 23 -8.733 9.817 -4.648 1.00 0.00 O ATOM 110 CB ILE A 23 -10.829 7.963 -4.154 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.611 6.647 -4.225 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.624 9.024 -3.405 1.00 0.00 C ATOM 113 CD1 ILE A 23 -13.051 6.817 -4.662 1.00 0.00 C ATOM 0 H ILE A 23 -8.996 6.987 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.396 8.669 -6.111 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.904 7.787 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.108 5.973 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.592 6.170 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.863 8.661 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.032 9.936 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.547 9.236 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.540 5.843 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.571 7.465 -3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.079 7.265 -5.655 1.00 0.00 H new ATOM 125 N GLU A 24 -9.940 10.682 -6.337 1.00 0.00 N ATOM 126 CA GLU A 24 -9.219 11.947 -6.352 1.00 0.00 C ATOM 127 C GLU A 24 -9.794 12.899 -5.309 1.00 0.00 C ATOM 128 O GLU A 24 -10.913 13.391 -5.454 1.00 0.00 O ATOM 129 CB GLU A 24 -9.293 12.586 -7.741 1.00 0.00 C ATOM 130 CG GLU A 24 -8.697 11.723 -8.840 1.00 0.00 C ATOM 131 CD GLU A 24 -8.393 12.513 -10.099 1.00 0.00 C ATOM 132 OE1 GLU A 24 -7.975 13.684 -9.979 1.00 0.00 O ATOM 133 OE2 GLU A 24 -8.571 11.959 -11.204 1.00 0.00 O ATOM 0 H GLU A 24 -10.684 10.613 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.174 11.751 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.336 12.796 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.772 13.543 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.780 11.259 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.390 10.916 -9.080 1.00 0.00 H new ATOM 140 N LYS A 25 -9.028 13.146 -4.256 1.00 0.00 N ATOM 141 CA LYS A 25 -9.467 14.032 -3.183 1.00 0.00 C ATOM 142 C LYS A 25 -8.380 15.037 -2.823 1.00 0.00 C ATOM 143 O LYS A 25 -7.329 15.089 -3.462 1.00 0.00 O ATOM 144 CB LYS A 25 -9.855 13.221 -1.941 1.00 0.00 C ATOM 145 CG LYS A 25 -9.126 11.892 -1.815 1.00 0.00 C ATOM 146 CD LYS A 25 -7.660 12.088 -1.462 1.00 0.00 C ATOM 147 CE LYS A 25 -7.465 12.253 0.036 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.109 11.821 0.472 1.00 0.00 N ATOM 0 H LYS A 25 -8.099 12.746 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.340 14.578 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.654 13.819 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.929 13.034 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.607 11.284 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.204 11.343 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.083 11.233 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.274 12.967 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.618 13.297 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.219 11.671 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.805 12.397 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.136 10.819 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.437 11.945 -0.312 1.00 0.00 H new ATOM 162 N GLN A 26 -8.641 15.830 -1.790 1.00 0.00 N ATOM 163 CA GLN A 26 -7.687 16.830 -1.334 1.00 0.00 C ATOM 164 C GLN A 26 -7.005 16.367 -0.054 1.00 0.00 C ATOM 165 O GLN A 26 -7.622 15.717 0.790 1.00 0.00 O ATOM 166 CB GLN A 26 -8.389 18.169 -1.099 1.00 0.00 C ATOM 167 CG GLN A 26 -8.380 19.082 -2.314 1.00 0.00 C ATOM 168 CD GLN A 26 -9.364 18.643 -3.380 1.00 0.00 C ATOM 169 OE1 GLN A 26 -8.973 18.259 -4.482 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.651 18.697 -3.055 1.00 0.00 N ATOM 0 H GLN A 26 -9.507 15.798 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.930 16.962 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.421 17.982 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.907 18.681 -0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.618 20.099 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.376 19.106 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.930 19.022 -2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.360 18.413 -3.731 1.00 0.00 H new ATOM 179 N LYS A 27 -5.727 16.701 0.086 1.00 0.00 N ATOM 180 CA LYS A 27 -4.962 16.315 1.266 1.00 0.00 C ATOM 181 C LYS A 27 -5.704 16.681 2.543 1.00 0.00 C ATOM 182 O LYS A 27 -6.386 17.703 2.610 1.00 0.00 O ATOM 183 CB LYS A 27 -3.587 16.986 1.246 1.00 0.00 C ATOM 184 CG LYS A 27 -2.470 16.064 0.794 1.00 0.00 C ATOM 185 CD LYS A 27 -1.429 16.807 -0.025 1.00 0.00 C ATOM 186 CE LYS A 27 -0.269 15.901 -0.398 1.00 0.00 C ATOM 187 NZ LYS A 27 0.714 16.588 -1.281 1.00 0.00 N ATOM 0 H LYS A 27 -5.199 17.238 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.832 15.233 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.623 17.851 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.359 17.358 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.995 15.613 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.887 15.250 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.890 17.202 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.058 17.661 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.233 15.563 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.650 15.013 -0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.489 15.934 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.242 16.889 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.098 17.421 -0.791 1.00 0.00 H new ATOM 201 N GLY A 28 -5.567 15.833 3.554 1.00 0.00 N ATOM 202 CA GLY A 28 -6.232 16.078 4.818 1.00 0.00 C ATOM 203 C GLY A 28 -7.668 15.587 4.827 1.00 0.00 C ATOM 204 O GLY A 28 -8.423 15.887 5.752 1.00 0.00 O ATOM 0 H GLY A 28 -5.008 14.981 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.678 15.585 5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.216 17.147 5.032 1.00 0.00 H new ATOM 208 N GLU A 29 -8.050 14.823 3.803 1.00 0.00 N ATOM 209 CA GLU A 29 -9.403 14.290 3.718 1.00 0.00 C ATOM 210 C GLU A 29 -9.368 12.780 3.569 1.00 0.00 C ATOM 211 O GLU A 29 -10.251 12.185 2.954 1.00 0.00 O ATOM 212 CB GLU A 29 -10.163 14.923 2.551 1.00 0.00 C ATOM 213 CG GLU A 29 -10.699 16.311 2.855 1.00 0.00 C ATOM 214 CD GLU A 29 -12.016 16.277 3.606 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.836 15.377 3.324 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.227 17.148 4.475 1.00 0.00 O ATOM 0 H GLU A 29 -7.442 14.562 3.026 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.927 14.538 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.502 14.979 1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.994 14.274 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.964 16.859 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.832 16.858 1.921 1.00 0.00 H new ATOM 223 N ILE A 30 -8.336 12.180 4.160 1.00 0.00 N ATOM 224 CA ILE A 30 -8.125 10.727 4.146 1.00 0.00 C ATOM 225 C ILE A 30 -8.776 10.038 2.946 1.00 0.00 C ATOM 226 O ILE A 30 -8.117 9.755 1.945 1.00 0.00 O ATOM 227 CB ILE A 30 -8.638 10.061 5.443 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.459 11.038 6.280 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.478 9.516 6.262 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.414 10.349 7.222 1.00 0.00 C ATOM 0 H ILE A 30 -7.614 12.691 4.668 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.045 10.597 4.069 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.285 9.232 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.784 11.672 6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.022 11.693 5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.861 9.051 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.936 8.774 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.805 10.331 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.969 11.097 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.111 9.737 6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.853 9.715 7.909 1.00 0.00 H new ATOM 242 N LEU A 31 -10.069 9.770 3.067 1.00 0.00 N ATOM 243 CA LEU A 31 -10.832 9.109 2.017 1.00 0.00 C ATOM 244 C LEU A 31 -12.266 8.891 2.481 1.00 0.00 C ATOM 245 O LEU A 31 -13.217 9.100 1.728 1.00 0.00 O ATOM 246 CB LEU A 31 -10.193 7.767 1.650 1.00 0.00 C ATOM 247 CG LEU A 31 -10.931 6.970 0.575 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.869 7.695 -0.760 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.347 5.573 0.456 1.00 0.00 C ATOM 0 H LEU A 31 -10.618 10.004 3.894 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.832 9.746 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.173 7.949 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.125 7.156 2.550 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.977 6.879 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.399 7.114 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.335 8.676 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.828 7.816 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.884 5.019 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.293 5.641 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.444 5.055 1.410 1.00 0.00 H new ATOM 261 N GLY A 32 -12.408 8.485 3.739 1.00 0.00 N ATOM 262 CA GLY A 32 -13.724 8.265 4.307 1.00 0.00 C ATOM 263 C GLY A 32 -14.285 6.881 4.038 1.00 0.00 C ATOM 264 O GLY A 32 -15.316 6.744 3.376 1.00 0.00 O ATOM 0 H GLY A 32 -11.632 8.304 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.675 8.424 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.412 9.010 3.906 1.00 0.00 H new ATOM 268 N VAL A 33 -13.627 5.853 4.567 1.00 0.00 N ATOM 269 CA VAL A 33 -14.098 4.478 4.390 1.00 0.00 C ATOM 270 C VAL A 33 -13.687 3.597 5.568 1.00 0.00 C ATOM 271 O VAL A 33 -12.722 3.892 6.270 1.00 0.00 O ATOM 272 CB VAL A 33 -13.613 3.846 3.053 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.457 4.911 1.977 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.314 3.066 3.226 1.00 0.00 C ATOM 0 H VAL A 33 -12.773 5.942 5.118 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.186 4.531 4.350 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.379 3.138 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.117 4.446 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.416 5.399 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.725 5.651 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.013 2.643 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.533 3.735 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.466 2.262 3.946 1.00 0.00 H new ATOM 284 N VAL A 34 -14.431 2.517 5.778 1.00 0.00 N ATOM 285 CA VAL A 34 -14.144 1.593 6.869 1.00 0.00 C ATOM 286 C VAL A 34 -13.895 0.188 6.339 1.00 0.00 C ATOM 287 O VAL A 34 -14.679 -0.338 5.550 1.00 0.00 O ATOM 288 CB VAL A 34 -15.291 1.553 7.891 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.918 0.687 9.086 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.646 2.962 8.337 1.00 0.00 C ATOM 0 H VAL A 34 -15.237 2.260 5.208 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.245 1.957 7.366 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.165 1.110 7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.744 0.673 9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.712 -0.329 8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.031 1.096 9.569 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.460 2.920 9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.775 3.428 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.958 3.549 7.473 1.00 0.00 H new ATOM 300 N ILE A 35 -12.795 -0.407 6.774 1.00 0.00 N ATOM 301 CA ILE A 35 -12.426 -1.745 6.345 1.00 0.00 C ATOM 302 C ILE A 35 -12.338 -2.704 7.526 1.00 0.00 C ATOM 303 O ILE A 35 -11.856 -2.346 8.600 1.00 0.00 O ATOM 304 CB ILE A 35 -11.081 -1.745 5.603 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.120 -0.734 6.223 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.290 -1.451 4.126 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.680 -1.175 6.157 1.00 0.00 C ATOM 0 H ILE A 35 -12.139 0.020 7.428 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.210 -2.082 5.667 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.637 -2.736 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.226 0.222 5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.397 -0.569 7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.327 -1.455 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.935 -2.214 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.758 -0.473 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.046 -0.415 6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.563 -2.116 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.389 -1.313 5.116 1.00 0.00 H new ATOM 319 N VAL A 36 -12.802 -3.931 7.314 1.00 0.00 N ATOM 320 CA VAL A 36 -12.774 -4.953 8.351 1.00 0.00 C ATOM 321 C VAL A 36 -12.196 -6.253 7.805 1.00 0.00 C ATOM 322 O VAL A 36 -12.030 -6.405 6.597 1.00 0.00 O ATOM 323 CB VAL A 36 -14.182 -5.225 8.914 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.721 -3.994 9.625 1.00 0.00 C ATOM 325 CG2 VAL A 36 -15.125 -5.665 7.805 1.00 0.00 C ATOM 0 H VAL A 36 -13.203 -4.242 6.429 1.00 0.00 H new ATOM 0 HA VAL A 36 -12.142 -4.579 9.156 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.112 -6.034 9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.716 -4.206 10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.057 -3.729 10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.777 -3.163 8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.115 -5.853 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.191 -4.880 7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.746 -6.578 7.346 1.00 0.00 H new ATOM 335 N GLU A 37 -11.888 -7.188 8.697 1.00 0.00 N ATOM 336 CA GLU A 37 -11.326 -8.471 8.288 1.00 0.00 C ATOM 337 C GLU A 37 -12.268 -9.199 7.336 1.00 0.00 C ATOM 338 O GLU A 37 -13.468 -9.301 7.587 1.00 0.00 O ATOM 339 CB GLU A 37 -11.036 -9.341 9.515 1.00 0.00 C ATOM 340 CG GLU A 37 -9.555 -9.603 9.739 1.00 0.00 C ATOM 341 CD GLU A 37 -9.199 -9.712 11.209 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.799 -10.558 11.904 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.321 -8.949 11.666 1.00 0.00 O ATOM 0 H GLU A 37 -12.017 -7.083 9.703 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.390 -8.280 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.448 -8.856 10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.552 -10.294 9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.272 -10.525 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.975 -8.799 9.287 1.00 0.00 H new ATOM 350 N SER A 38 -11.713 -9.701 6.237 1.00 0.00 N ATOM 351 CA SER A 38 -12.497 -10.417 5.239 1.00 0.00 C ATOM 352 C SER A 38 -12.880 -11.813 5.730 1.00 0.00 C ATOM 353 O SER A 38 -12.209 -12.798 5.425 1.00 0.00 O ATOM 354 CB SER A 38 -11.715 -10.510 3.927 1.00 0.00 C ATOM 355 OG SER A 38 -10.740 -11.536 3.978 1.00 0.00 O ATOM 0 H SER A 38 -10.720 -9.624 6.016 1.00 0.00 H new ATOM 0 HA SER A 38 -13.418 -9.860 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.404 -10.701 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.230 -9.555 3.722 1.00 0.00 H new ATOM 0 HG SER A 38 -11.175 -12.391 4.181 1.00 0.00 H new ATOM 361 N GLY A 39 -13.966 -11.886 6.493 1.00 0.00 N ATOM 362 CA GLY A 39 -14.423 -13.163 7.016 1.00 0.00 C ATOM 363 C GLY A 39 -15.184 -13.985 5.995 1.00 0.00 C ATOM 364 O GLY A 39 -15.500 -15.149 6.240 1.00 0.00 O ATOM 0 H GLY A 39 -14.538 -11.085 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.563 -13.734 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.062 -12.987 7.881 1.00 0.00 H new ATOM 368 N TRP A 40 -15.467 -13.383 4.844 1.00 0.00 N ATOM 369 CA TRP A 40 -16.179 -14.065 3.769 1.00 0.00 C ATOM 370 C TRP A 40 -15.451 -15.355 3.384 1.00 0.00 C ATOM 371 O TRP A 40 -14.605 -15.845 4.132 1.00 0.00 O ATOM 372 CB TRP A 40 -16.265 -13.137 2.558 1.00 0.00 C ATOM 373 CG TRP A 40 -14.921 -12.829 1.973 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.724 -12.819 2.633 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.629 -12.492 0.612 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.711 -12.508 1.765 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.239 -12.298 0.523 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.408 -12.336 -0.537 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.609 -11.960 -0.665 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.781 -11.996 -1.721 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.393 -11.813 -1.779 1.00 0.00 C ATOM 0 H TRP A 40 -15.212 -12.418 4.631 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.183 -14.321 4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -16.892 -13.598 1.795 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.752 -12.207 2.851 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.596 -13.026 3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.722 -12.444 2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.478 -12.478 -0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.539 -11.818 -0.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.371 -11.869 -2.617 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -12.932 -11.551 -2.720 1.00 0.00 H new ATOM 392 N GLY A 41 -15.762 -15.895 2.207 1.00 0.00 N ATOM 393 CA GLY A 41 -15.100 -17.108 1.755 1.00 0.00 C ATOM 394 C GLY A 41 -13.591 -17.011 1.890 1.00 0.00 C ATOM 395 O GLY A 41 -12.900 -18.019 2.036 1.00 0.00 O ATOM 0 H GLY A 41 -16.456 -15.517 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.463 -17.957 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.360 -17.298 0.714 1.00 0.00 H new ATOM 399 N SER A 42 -13.086 -15.779 1.844 1.00 0.00 N ATOM 400 CA SER A 42 -11.659 -15.504 1.964 1.00 0.00 C ATOM 401 C SER A 42 -10.944 -15.740 0.655 1.00 0.00 C ATOM 402 O SER A 42 -9.870 -16.338 0.607 1.00 0.00 O ATOM 403 CB SER A 42 -11.015 -16.328 3.077 1.00 0.00 C ATOM 404 OG SER A 42 -11.973 -16.737 4.039 1.00 0.00 O ATOM 0 H SER A 42 -13.658 -14.943 1.722 1.00 0.00 H new ATOM 0 HA SER A 42 -11.560 -14.451 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.530 -17.205 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.237 -15.740 3.564 1.00 0.00 H new ATOM 0 HG SER A 42 -12.406 -17.564 3.739 1.00 0.00 H new ATOM 410 N ILE A 43 -11.543 -15.231 -0.401 1.00 0.00 N ATOM 411 CA ILE A 43 -10.978 -15.333 -1.723 1.00 0.00 C ATOM 412 C ILE A 43 -9.602 -14.679 -1.752 1.00 0.00 C ATOM 413 O ILE A 43 -8.666 -15.175 -2.378 1.00 0.00 O ATOM 414 CB ILE A 43 -11.897 -14.638 -2.720 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.270 -15.303 -2.704 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.295 -14.654 -4.104 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.323 -14.518 -3.442 1.00 0.00 C ATOM 0 H ILE A 43 -12.434 -14.736 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.877 -16.385 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.015 -13.594 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.190 -16.296 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.587 -15.440 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.968 -14.153 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.336 -14.136 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.145 -15.685 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.274 -15.048 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.430 -13.534 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.027 -14.403 -4.485 1.00 0.00 H new ATOM 429 N LEU A 44 -9.505 -13.559 -1.047 1.00 0.00 N ATOM 430 CA LEU A 44 -8.274 -12.795 -0.942 1.00 0.00 C ATOM 431 C LEU A 44 -8.190 -12.158 0.441 1.00 0.00 C ATOM 432 O LEU A 44 -8.527 -10.989 0.613 1.00 0.00 O ATOM 433 CB LEU A 44 -8.231 -11.707 -2.015 1.00 0.00 C ATOM 434 CG LEU A 44 -8.289 -12.209 -3.460 1.00 0.00 C ATOM 435 CD1 LEU A 44 -9.258 -11.368 -4.278 1.00 0.00 C ATOM 436 CD2 LEU A 44 -6.903 -12.190 -4.086 1.00 0.00 C ATOM 0 H LEU A 44 -10.285 -13.155 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.426 -13.464 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.066 -11.025 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.316 -11.128 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.649 -13.238 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.287 -11.739 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.254 -11.433 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.928 -10.329 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.963 -12.550 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.515 -11.171 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.236 -12.835 -3.514 1.00 0.00 H new ATOM 448 N PRO A 45 -7.763 -12.928 1.453 1.00 0.00 N ATOM 449 CA PRO A 45 -7.660 -12.445 2.832 1.00 0.00 C ATOM 450 C PRO A 45 -7.071 -11.041 2.945 1.00 0.00 C ATOM 451 O PRO A 45 -5.858 -10.881 3.049 1.00 0.00 O ATOM 452 CB PRO A 45 -6.731 -13.467 3.480 1.00 0.00 C ATOM 453 CG PRO A 45 -7.005 -14.737 2.748 1.00 0.00 C ATOM 454 CD PRO A 45 -7.360 -14.344 1.336 1.00 0.00 C ATOM 0 HA PRO A 45 -8.640 -12.360 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.686 -13.171 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.936 -13.571 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.132 -15.390 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.822 -15.287 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.511 -14.464 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.169 -14.959 0.942 1.00 0.00 H new ATOM 462 N THR A 46 -7.934 -10.026 2.942 1.00 0.00 N ATOM 463 CA THR A 46 -7.473 -8.646 3.065 1.00 0.00 C ATOM 464 C THR A 46 -8.390 -7.831 3.984 1.00 0.00 C ATOM 465 O THR A 46 -8.157 -7.766 5.190 1.00 0.00 O ATOM 466 CB THR A 46 -7.347 -7.986 1.685 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.288 -6.574 1.809 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.478 -8.331 0.738 1.00 0.00 C ATOM 0 H THR A 46 -8.945 -10.132 2.857 1.00 0.00 H new ATOM 0 HA THR A 46 -6.483 -8.666 3.522 1.00 0.00 H new ATOM 0 HB THR A 46 -6.424 -8.382 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.415 -6.163 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.320 -7.828 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.504 -9.409 0.580 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.425 -8.004 1.168 1.00 0.00 H new ATOM 476 N VAL A 47 -9.427 -7.210 3.421 1.00 0.00 N ATOM 477 CA VAL A 47 -10.361 -6.410 4.209 1.00 0.00 C ATOM 478 C VAL A 47 -11.679 -6.209 3.466 1.00 0.00 C ATOM 479 O VAL A 47 -11.777 -6.496 2.274 1.00 0.00 O ATOM 480 CB VAL A 47 -9.778 -5.027 4.573 1.00 0.00 C ATOM 481 CG1 VAL A 47 -9.112 -5.064 5.940 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.801 -4.546 3.507 1.00 0.00 C ATOM 0 H VAL A 47 -9.640 -7.246 2.424 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.539 -6.968 5.128 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.603 -4.316 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.709 -4.079 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.846 -5.345 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.303 -5.794 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.406 -3.570 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.980 -5.258 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.317 -4.466 2.550 1.00 0.00 H new ATOM 492 N ILE A 48 -12.691 -5.717 4.177 1.00 0.00 N ATOM 493 CA ILE A 48 -14.003 -5.483 3.575 1.00 0.00 C ATOM 494 C ILE A 48 -14.540 -4.095 3.900 1.00 0.00 C ATOM 495 O ILE A 48 -14.605 -3.705 5.065 1.00 0.00 O ATOM 496 CB ILE A 48 -15.057 -6.511 4.053 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.418 -7.649 4.843 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.828 -7.064 2.872 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.435 -8.548 5.515 1.00 0.00 C ATOM 0 H ILE A 48 -12.629 -5.473 5.166 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.846 -5.583 2.501 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.746 -5.990 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.800 -8.247 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.755 -7.231 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.565 -7.785 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.336 -6.249 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.139 -7.556 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.918 -9.338 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -16.037 -7.961 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -16.083 -8.993 4.760 1.00 0.00 H new ATOM 511 N ILE A 49 -14.968 -3.367 2.871 1.00 0.00 N ATOM 512 CA ILE A 49 -15.538 -2.058 3.067 1.00 0.00 C ATOM 513 C ILE A 49 -16.866 -2.199 3.775 1.00 0.00 C ATOM 514 O ILE A 49 -17.908 -2.396 3.151 1.00 0.00 O ATOM 515 CB ILE A 49 -15.731 -1.339 1.730 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.394 -1.256 1.007 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.318 0.043 1.946 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.468 -0.529 -0.311 1.00 0.00 C ATOM 0 H ILE A 49 -14.926 -3.671 1.898 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.856 -1.462 3.673 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.433 -1.902 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.672 -0.753 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.019 -2.265 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.448 0.538 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.285 -0.046 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.644 0.631 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.480 -0.508 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.165 -1.044 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.813 0.492 -0.145 1.00 0.00 H new ATOM 530 N ALA A 50 -16.805 -2.135 5.088 1.00 0.00 N ATOM 531 CA ALA A 50 -17.981 -2.287 5.919 1.00 0.00 C ATOM 532 C ALA A 50 -18.686 -0.955 6.150 1.00 0.00 C ATOM 533 O ALA A 50 -19.826 -0.922 6.615 1.00 0.00 O ATOM 534 CB ALA A 50 -17.574 -2.920 7.231 1.00 0.00 C ATOM 0 H ALA A 50 -15.942 -1.977 5.608 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.694 -2.932 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.452 -3.039 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.128 -3.896 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.848 -2.281 7.733 1.00 0.00 H new ATOM 540 N ASN A 51 -18.012 0.141 5.818 1.00 0.00 N ATOM 541 CA ASN A 51 -18.592 1.467 5.989 1.00 0.00 C ATOM 542 C ASN A 51 -17.907 2.483 5.083 1.00 0.00 C ATOM 543 O ASN A 51 -16.785 2.267 4.625 1.00 0.00 O ATOM 544 CB ASN A 51 -18.490 1.909 7.451 1.00 0.00 C ATOM 545 CG ASN A 51 -19.848 2.085 8.103 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.870 1.674 7.555 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.861 2.700 9.280 1.00 0.00 N ATOM 0 H ASN A 51 -17.068 0.137 5.431 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.644 1.415 5.709 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.915 1.171 8.011 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.940 2.849 7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.744 2.849 9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.988 3.024 9.696 1.00 0.00 H new ATOM 554 N MET A 52 -18.594 3.591 4.822 1.00 0.00 N ATOM 555 CA MET A 52 -18.052 4.639 3.966 1.00 0.00 C ATOM 556 C MET A 52 -18.643 6.000 4.321 1.00 0.00 C ATOM 557 O MET A 52 -19.863 6.155 4.406 1.00 0.00 O ATOM 558 CB MET A 52 -18.334 4.317 2.499 1.00 0.00 C ATOM 559 CG MET A 52 -17.254 4.804 1.546 1.00 0.00 C ATOM 560 SD MET A 52 -16.947 3.652 0.192 1.00 0.00 S ATOM 561 CE MET A 52 -18.591 2.992 -0.083 1.00 0.00 C ATOM 0 H MET A 52 -19.525 3.785 5.190 1.00 0.00 H new ATOM 0 HA MET A 52 -16.975 4.682 4.126 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.444 3.238 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.286 4.766 2.215 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.547 5.771 1.136 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.329 4.960 2.101 1.00 0.00 H new ATOM 0 HE1 MET A 52 -18.721 2.767 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.719 2.080 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.334 3.727 0.226 1.00 0.00 H new ATOM 571 N MET A 53 -17.772 6.984 4.521 1.00 0.00 N ATOM 572 CA MET A 53 -18.209 8.333 4.861 1.00 0.00 C ATOM 573 C MET A 53 -19.171 8.867 3.806 1.00 0.00 C ATOM 574 O MET A 53 -18.754 9.286 2.727 1.00 0.00 O ATOM 575 CB MET A 53 -17.004 9.269 4.985 1.00 0.00 C ATOM 576 CG MET A 53 -16.261 9.138 6.307 1.00 0.00 C ATOM 577 SD MET A 53 -15.580 10.708 6.879 1.00 0.00 S ATOM 578 CE MET A 53 -13.821 10.371 6.810 1.00 0.00 C ATOM 0 H MET A 53 -16.760 6.872 4.454 1.00 0.00 H new ATOM 0 HA MET A 53 -18.726 8.291 5.819 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.312 9.066 4.168 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.342 10.299 4.869 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.940 8.743 7.063 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.453 8.415 6.195 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.295 11.043 7.488 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.636 9.339 7.107 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.461 10.526 5.793 1.00 0.00 H new ATOM 588 N HIS A 54 -20.461 8.843 4.123 1.00 0.00 N ATOM 589 CA HIS A 54 -21.485 9.320 3.202 1.00 0.00 C ATOM 590 C HIS A 54 -21.368 10.828 2.996 1.00 0.00 C ATOM 591 O HIS A 54 -22.210 11.596 3.463 1.00 0.00 O ATOM 592 CB HIS A 54 -22.879 8.962 3.725 1.00 0.00 C ATOM 593 CG HIS A 54 -23.580 7.925 2.904 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.955 8.130 1.592 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.973 6.666 3.212 1.00 0.00 C ATOM 596 CE1 HIS A 54 -24.550 7.044 1.131 1.00 0.00 C ATOM 597 NE2 HIS A 54 -24.573 6.142 2.095 1.00 0.00 N ATOM 0 H HIS A 54 -20.822 8.498 5.012 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.335 8.830 2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.792 8.603 4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.490 9.864 3.754 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.839 6.167 4.161 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.949 6.916 0.136 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.972 5.206 2.021 1.00 0.00 H new ATOM 606 N GLY A 55 -20.319 11.246 2.297 1.00 0.00 N ATOM 607 CA GLY A 55 -20.113 12.660 2.045 1.00 0.00 C ATOM 608 C GLY A 55 -18.709 12.953 1.566 1.00 0.00 C ATOM 609 O GLY A 55 -18.498 13.845 0.744 1.00 0.00 O ATOM 0 H GLY A 55 -19.608 10.632 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.829 13.003 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.309 13.223 2.958 1.00 0.00 H new ATOM 613 N GLY A 56 -17.747 12.192 2.074 1.00 0.00 N ATOM 614 CA GLY A 56 -16.369 12.381 1.680 1.00 0.00 C ATOM 615 C GLY A 56 -16.131 11.993 0.233 1.00 0.00 C ATOM 616 O GLY A 56 -17.083 11.788 -0.520 1.00 0.00 O ATOM 0 H GLY A 56 -17.900 11.446 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.091 13.425 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.723 11.786 2.325 1.00 0.00 H new ATOM 620 N PRO A 57 -14.863 11.883 -0.187 1.00 0.00 N ATOM 621 CA PRO A 57 -14.514 11.513 -1.561 1.00 0.00 C ATOM 622 C PRO A 57 -14.853 10.062 -1.887 1.00 0.00 C ATOM 623 O PRO A 57 -14.898 9.677 -3.055 1.00 0.00 O ATOM 624 CB PRO A 57 -13.005 11.739 -1.619 1.00 0.00 C ATOM 625 CG PRO A 57 -12.545 11.591 -0.211 1.00 0.00 C ATOM 626 CD PRO A 57 -13.666 12.110 0.646 1.00 0.00 C ATOM 0 HA PRO A 57 -15.075 12.098 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.521 11.013 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.768 12.728 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.327 10.549 0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.628 12.155 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.728 11.576 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.535 13.166 0.883 1.00 0.00 H new ATOM 634 N ALA A 58 -15.088 9.256 -0.854 1.00 0.00 N ATOM 635 CA ALA A 58 -15.413 7.853 -1.050 1.00 0.00 C ATOM 636 C ALA A 58 -16.784 7.699 -1.696 1.00 0.00 C ATOM 637 O ALA A 58 -16.941 6.982 -2.686 1.00 0.00 O ATOM 638 CB ALA A 58 -15.365 7.109 0.275 1.00 0.00 C ATOM 0 H ALA A 58 -15.059 9.552 0.122 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.670 7.421 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.611 6.060 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.364 7.186 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.086 7.548 0.965 1.00 0.00 H new ATOM 644 N GLU A 59 -17.772 8.382 -1.132 1.00 0.00 N ATOM 645 CA GLU A 59 -19.133 8.334 -1.651 1.00 0.00 C ATOM 646 C GLU A 59 -19.272 9.213 -2.891 1.00 0.00 C ATOM 647 O GLU A 59 -19.994 8.871 -3.829 1.00 0.00 O ATOM 648 CB GLU A 59 -20.126 8.785 -0.577 1.00 0.00 C ATOM 649 CG GLU A 59 -21.408 7.969 -0.554 1.00 0.00 C ATOM 650 CD GLU A 59 -22.261 8.189 -1.788 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.060 7.466 -2.786 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.131 9.084 -1.757 1.00 0.00 O ATOM 0 H GLU A 59 -17.656 8.978 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.354 7.304 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.646 8.721 0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.375 9.833 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.159 6.911 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.985 8.230 0.333 1.00 0.00 H new ATOM 659 N LYS A 60 -18.582 10.349 -2.883 1.00 0.00 N ATOM 660 CA LYS A 60 -18.631 11.286 -3.997 1.00 0.00 C ATOM 661 C LYS A 60 -18.223 10.617 -5.306 1.00 0.00 C ATOM 662 O LYS A 60 -18.895 10.766 -6.327 1.00 0.00 O ATOM 663 CB LYS A 60 -17.723 12.484 -3.722 1.00 0.00 C ATOM 664 CG LYS A 60 -18.375 13.561 -2.869 1.00 0.00 C ATOM 665 CD LYS A 60 -17.611 14.872 -2.943 1.00 0.00 C ATOM 666 CE LYS A 60 -16.722 15.068 -1.726 1.00 0.00 C ATOM 667 NZ LYS A 60 -15.925 16.323 -1.815 1.00 0.00 N ATOM 0 H LYS A 60 -17.980 10.643 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.661 11.629 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.818 12.136 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.416 12.922 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.401 13.718 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.424 13.226 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.002 14.889 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.315 15.701 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.338 15.092 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.048 14.217 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.332 16.419 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.318 16.290 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.567 17.138 -1.883 1.00 0.00 H new ATOM 681 N SER A 61 -17.117 9.881 -5.270 1.00 0.00 N ATOM 682 CA SER A 61 -16.617 9.193 -6.455 1.00 0.00 C ATOM 683 C SER A 61 -17.654 8.213 -6.993 1.00 0.00 C ATOM 684 O SER A 61 -18.279 8.458 -8.025 1.00 0.00 O ATOM 685 CB SER A 61 -15.317 8.456 -6.131 1.00 0.00 C ATOM 686 OG SER A 61 -14.291 8.808 -7.044 1.00 0.00 O ATOM 0 H SER A 61 -16.550 9.746 -4.433 1.00 0.00 H new ATOM 0 HA SER A 61 -16.419 9.940 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.003 8.696 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.487 7.380 -6.167 1.00 0.00 H new ATOM 0 HG SER A 61 -13.982 8.006 -7.514 1.00 0.00 H new ATOM 692 N GLY A 62 -17.825 7.097 -6.292 1.00 0.00 N ATOM 693 CA GLY A 62 -18.780 6.091 -6.718 1.00 0.00 C ATOM 694 C GLY A 62 -18.108 4.793 -7.119 1.00 0.00 C ATOM 695 O GLY A 62 -18.779 3.810 -7.434 1.00 0.00 O ATOM 0 H GLY A 62 -17.319 6.871 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.485 5.898 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.357 6.474 -7.560 1.00 0.00 H new ATOM 699 N LYS A 63 -16.778 4.789 -7.106 1.00 0.00 N ATOM 700 CA LYS A 63 -16.010 3.606 -7.468 1.00 0.00 C ATOM 701 C LYS A 63 -16.037 2.584 -6.337 1.00 0.00 C ATOM 702 O LYS A 63 -16.099 1.378 -6.574 1.00 0.00 O ATOM 703 CB LYS A 63 -14.563 3.989 -7.785 1.00 0.00 C ATOM 704 CG LYS A 63 -14.430 5.231 -8.652 1.00 0.00 C ATOM 705 CD LYS A 63 -14.588 4.903 -10.126 1.00 0.00 C ATOM 706 CE LYS A 63 -13.382 4.146 -10.658 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.479 3.904 -12.125 1.00 0.00 N ATOM 0 H LYS A 63 -16.210 5.596 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.463 3.162 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.027 4.152 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.078 3.153 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.183 5.963 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.456 5.691 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.488 4.306 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.720 5.824 -10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.475 4.711 -10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.294 3.192 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.637 3.385 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.331 3.343 -12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.537 4.815 -12.624 1.00 0.00 H new ATOM 721 N LEU A 64 -15.990 3.081 -5.106 1.00 0.00 N ATOM 722 CA LEU A 64 -16.007 2.220 -3.931 1.00 0.00 C ATOM 723 C LEU A 64 -17.431 1.999 -3.436 1.00 0.00 C ATOM 724 O LEU A 64 -18.171 2.951 -3.192 1.00 0.00 O ATOM 725 CB LEU A 64 -15.160 2.831 -2.813 1.00 0.00 C ATOM 726 CG LEU A 64 -13.678 3.002 -3.144 1.00 0.00 C ATOM 727 CD1 LEU A 64 -13.011 3.923 -2.136 1.00 0.00 C ATOM 728 CD2 LEU A 64 -12.981 1.650 -3.181 1.00 0.00 C ATOM 0 H LEU A 64 -15.940 4.078 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.586 1.256 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.574 3.806 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.249 2.203 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.594 3.457 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.956 4.034 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.494 4.900 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.104 3.497 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.926 1.791 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.073 1.167 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.444 1.023 -3.943 1.00 0.00 H new ATOM 740 N ASN A 65 -17.807 0.735 -3.287 1.00 0.00 N ATOM 741 CA ASN A 65 -19.138 0.382 -2.816 1.00 0.00 C ATOM 742 C ASN A 65 -19.053 -0.662 -1.711 1.00 0.00 C ATOM 743 O ASN A 65 -18.400 -1.694 -1.870 1.00 0.00 O ATOM 744 CB ASN A 65 -19.991 -0.144 -3.971 1.00 0.00 C ATOM 745 CG ASN A 65 -20.151 0.876 -5.082 1.00 0.00 C ATOM 746 OD1 ASN A 65 -21.195 1.515 -5.208 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.111 1.035 -5.893 1.00 0.00 N ATOM 0 H ASN A 65 -17.206 -0.064 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.608 1.279 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.534 -1.048 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.975 -0.425 -3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.159 1.709 -6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.265 0.483 -5.751 1.00 0.00 H new ATOM 754 N ILE A 66 -19.708 -0.387 -0.586 1.00 0.00 N ATOM 755 CA ILE A 66 -19.701 -1.297 0.550 1.00 0.00 C ATOM 756 C ILE A 66 -19.908 -2.745 0.121 1.00 0.00 C ATOM 757 O ILE A 66 -20.678 -3.034 -0.796 1.00 0.00 O ATOM 758 CB ILE A 66 -20.771 -0.888 1.566 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.426 0.492 2.105 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.875 -1.903 2.701 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.114 0.533 2.852 1.00 0.00 C ATOM 0 H ILE A 66 -20.252 0.463 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.718 -1.230 1.016 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.743 -0.860 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.386 1.198 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.224 0.825 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.643 -1.584 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.139 -2.879 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.917 -1.972 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.930 1.546 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.158 -0.149 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.306 0.231 2.185 1.00 0.00 H new ATOM 773 N GLY A 67 -19.206 -3.647 0.792 1.00 0.00 N ATOM 774 CA GLY A 67 -19.305 -5.056 0.472 1.00 0.00 C ATOM 775 C GLY A 67 -18.246 -5.504 -0.518 1.00 0.00 C ATOM 776 O GLY A 67 -18.333 -6.598 -1.075 1.00 0.00 O ATOM 0 H GLY A 67 -18.567 -3.426 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.212 -5.640 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.293 -5.263 0.061 1.00 0.00 H new ATOM 780 N ASP A 68 -17.237 -4.660 -0.737 1.00 0.00 N ATOM 781 CA ASP A 68 -16.161 -4.984 -1.665 1.00 0.00 C ATOM 782 C ASP A 68 -14.914 -5.424 -0.908 1.00 0.00 C ATOM 783 O ASP A 68 -14.820 -5.248 0.306 1.00 0.00 O ATOM 784 CB ASP A 68 -15.837 -3.780 -2.550 1.00 0.00 C ATOM 785 CG ASP A 68 -16.983 -3.411 -3.470 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.814 -4.295 -3.767 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.051 -2.239 -3.895 1.00 0.00 O ATOM 0 H ASP A 68 -17.145 -3.751 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.494 -5.807 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.592 -2.925 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.952 -4.000 -3.147 1.00 0.00 H new ATOM 792 N GLN A 69 -13.956 -6.000 -1.628 1.00 0.00 N ATOM 793 CA GLN A 69 -12.719 -6.465 -1.009 1.00 0.00 C ATOM 794 C GLN A 69 -11.503 -5.765 -1.615 1.00 0.00 C ATOM 795 O GLN A 69 -11.100 -6.064 -2.738 1.00 0.00 O ATOM 796 CB GLN A 69 -12.584 -7.980 -1.169 1.00 0.00 C ATOM 797 CG GLN A 69 -13.348 -8.771 -0.119 1.00 0.00 C ATOM 798 CD GLN A 69 -12.507 -9.082 1.102 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.866 -8.722 2.223 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.379 -9.750 0.892 1.00 0.00 N ATOM 0 H GLN A 69 -14.011 -6.155 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.761 -6.220 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.940 -8.266 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.529 -8.250 -1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.229 -8.207 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.703 -9.703 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.120 -10.029 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.771 -9.984 1.677 1.00 0.00 H new ATOM 809 N ILE A 70 -10.925 -4.834 -0.861 1.00 0.00 N ATOM 810 CA ILE A 70 -9.754 -4.093 -1.321 1.00 0.00 C ATOM 811 C ILE A 70 -8.485 -4.926 -1.172 1.00 0.00 C ATOM 812 O ILE A 70 -8.221 -5.476 -0.106 1.00 0.00 O ATOM 813 CB ILE A 70 -9.582 -2.777 -0.534 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.886 -1.977 -0.540 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.440 -1.953 -1.115 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.199 -1.322 0.788 1.00 0.00 C ATOM 0 H ILE A 70 -11.248 -4.575 0.071 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.915 -3.864 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.335 -3.020 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.828 -1.208 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.708 -2.639 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.333 -1.028 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.513 -2.524 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.655 -1.716 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.137 -0.772 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.290 -2.087 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.396 -0.634 1.053 1.00 0.00 H new ATOM 828 N MET A 71 -7.701 -5.017 -2.243 1.00 0.00 N ATOM 829 CA MET A 71 -6.464 -5.793 -2.213 1.00 0.00 C ATOM 830 C MET A 71 -5.254 -4.915 -1.908 1.00 0.00 C ATOM 831 O MET A 71 -4.617 -5.064 -0.866 1.00 0.00 O ATOM 832 CB MET A 71 -6.251 -6.515 -3.544 1.00 0.00 C ATOM 833 CG MET A 71 -6.915 -7.880 -3.606 1.00 0.00 C ATOM 834 SD MET A 71 -8.686 -7.774 -3.931 1.00 0.00 S ATOM 835 CE MET A 71 -9.330 -8.721 -2.556 1.00 0.00 C ATOM 0 H MET A 71 -7.898 -4.567 -3.137 1.00 0.00 H new ATOM 0 HA MET A 71 -6.563 -6.527 -1.413 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.639 -5.894 -4.351 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.181 -6.632 -3.718 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.441 -8.476 -4.386 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.753 -8.402 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.160 -9.339 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.543 -9.360 -2.154 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.679 -8.042 -1.778 1.00 0.00 H new ATOM 845 N SER A 72 -4.930 -4.011 -2.827 1.00 0.00 N ATOM 846 CA SER A 72 -3.782 -3.128 -2.649 1.00 0.00 C ATOM 847 C SER A 72 -4.171 -1.662 -2.810 1.00 0.00 C ATOM 848 O SER A 72 -4.994 -1.314 -3.658 1.00 0.00 O ATOM 849 CB SER A 72 -2.682 -3.483 -3.651 1.00 0.00 C ATOM 850 OG SER A 72 -3.002 -3.013 -4.948 1.00 0.00 O ATOM 0 H SER A 72 -5.442 -3.871 -3.698 1.00 0.00 H new ATOM 0 HA SER A 72 -3.411 -3.271 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.736 -3.049 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.544 -4.564 -3.676 1.00 0.00 H new ATOM 0 HG SER A 72 -2.282 -3.251 -5.569 1.00 0.00 H new ATOM 856 N ILE A 73 -3.566 -0.808 -1.991 1.00 0.00 N ATOM 857 CA ILE A 73 -3.833 0.620 -2.032 1.00 0.00 C ATOM 858 C ILE A 73 -2.552 1.396 -2.339 1.00 0.00 C ATOM 859 O ILE A 73 -1.559 1.281 -1.621 1.00 0.00 O ATOM 860 CB ILE A 73 -4.419 1.107 -0.695 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.730 0.376 -0.389 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.637 2.608 -0.728 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.685 -0.434 0.888 1.00 0.00 C ATOM 0 H ILE A 73 -2.883 -1.086 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.561 0.800 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.707 0.882 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.536 1.106 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.971 -0.285 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.052 2.936 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.685 3.110 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.331 2.857 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.646 -0.924 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.901 -1.188 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.475 0.226 1.730 1.00 0.00 H new ATOM 875 N ASN A 74 -2.583 2.186 -3.408 1.00 0.00 N ATOM 876 CA ASN A 74 -1.424 2.978 -3.809 1.00 0.00 C ATOM 877 C ASN A 74 -0.230 2.073 -4.101 1.00 0.00 C ATOM 878 O ASN A 74 0.920 2.459 -3.894 1.00 0.00 O ATOM 879 CB ASN A 74 -1.063 3.983 -2.712 1.00 0.00 C ATOM 880 CG ASN A 74 -1.300 5.418 -3.141 1.00 0.00 C ATOM 881 OD1 ASN A 74 -0.831 5.850 -4.194 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.031 6.163 -2.322 1.00 0.00 N ATOM 0 H ASN A 74 -3.398 2.295 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.679 3.522 -4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.653 3.771 -1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.016 3.857 -2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.225 7.137 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.399 5.762 -1.459 1.00 0.00 H new ATOM 889 N GLY A 75 -0.513 0.867 -4.578 1.00 0.00 N ATOM 890 CA GLY A 75 0.544 -0.076 -4.885 1.00 0.00 C ATOM 891 C GLY A 75 0.987 -0.870 -3.668 1.00 0.00 C ATOM 892 O GLY A 75 2.037 -1.514 -3.690 1.00 0.00 O ATOM 0 H GLY A 75 -1.457 0.525 -4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.200 -0.763 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.399 0.462 -5.295 1.00 0.00 H new ATOM 896 N THR A 76 0.185 -0.827 -2.607 1.00 0.00 N ATOM 897 CA THR A 76 0.503 -1.551 -1.381 1.00 0.00 C ATOM 898 C THR A 76 -0.437 -2.733 -1.189 1.00 0.00 C ATOM 899 O THR A 76 -1.539 -2.585 -0.659 1.00 0.00 O ATOM 900 CB THR A 76 0.414 -0.620 -0.176 1.00 0.00 C ATOM 901 OG1 THR A 76 1.104 0.593 -0.424 1.00 0.00 O ATOM 902 CG2 THR A 76 0.983 -1.224 1.090 1.00 0.00 C ATOM 0 H THR A 76 -0.687 -0.300 -2.572 1.00 0.00 H new ATOM 0 HA THR A 76 1.522 -1.928 -1.467 1.00 0.00 H new ATOM 0 HB THR A 76 -0.651 -0.442 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.508 1.220 -0.884 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.888 -0.510 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.436 -2.134 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.035 -1.464 0.938 1.00 0.00 H new ATOM 910 N SER A 77 0.006 -3.909 -1.620 1.00 0.00 N ATOM 911 CA SER A 77 -0.796 -5.119 -1.492 1.00 0.00 C ATOM 912 C SER A 77 -0.828 -5.590 -0.043 1.00 0.00 C ATOM 913 O SER A 77 0.212 -5.695 0.608 1.00 0.00 O ATOM 914 CB SER A 77 -0.237 -6.225 -2.389 1.00 0.00 C ATOM 915 OG SER A 77 1.042 -6.645 -1.945 1.00 0.00 O ATOM 0 H SER A 77 0.915 -4.050 -2.061 1.00 0.00 H new ATOM 0 HA SER A 77 -1.814 -4.889 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.921 -7.074 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.169 -5.865 -3.416 1.00 0.00 H new ATOM 0 HG SER A 77 1.172 -6.368 -1.014 1.00 0.00 H new ATOM 921 N LEU A 78 -2.025 -5.874 0.458 1.00 0.00 N ATOM 922 CA LEU A 78 -2.183 -6.334 1.833 1.00 0.00 C ATOM 923 C LEU A 78 -2.943 -7.657 1.887 1.00 0.00 C ATOM 924 O LEU A 78 -3.426 -8.058 2.945 1.00 0.00 O ATOM 925 CB LEU A 78 -2.903 -5.279 2.685 1.00 0.00 C ATOM 926 CG LEU A 78 -3.806 -4.307 1.920 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.249 -4.782 1.956 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.687 -2.906 2.503 1.00 0.00 C ATOM 0 H LEU A 78 -2.897 -5.794 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.185 -6.492 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.506 -5.793 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.152 -4.701 3.224 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.482 -4.276 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.877 -4.080 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.319 -5.768 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.587 -4.840 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.334 -2.225 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.988 -2.921 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.654 -2.567 2.427 1.00 0.00 H new ATOM 940 N VAL A 79 -3.037 -8.335 0.747 1.00 0.00 N ATOM 941 CA VAL A 79 -3.728 -9.616 0.686 1.00 0.00 C ATOM 942 C VAL A 79 -3.019 -10.642 1.566 1.00 0.00 C ATOM 943 O VAL A 79 -2.124 -11.355 1.113 1.00 0.00 O ATOM 944 CB VAL A 79 -3.813 -10.143 -0.762 1.00 0.00 C ATOM 945 CG1 VAL A 79 -2.424 -10.301 -1.361 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.577 -11.458 -0.813 1.00 0.00 C ATOM 0 H VAL A 79 -2.646 -8.020 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.743 -9.462 1.053 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.358 -9.411 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.508 -10.674 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.919 -9.335 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.848 -11.008 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.625 -11.811 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.067 -12.199 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.588 -11.306 -0.434 1.00 0.00 H new ATOM 956 N GLY A 80 -3.424 -10.704 2.830 1.00 0.00 N ATOM 957 CA GLY A 80 -2.818 -11.636 3.760 1.00 0.00 C ATOM 958 C GLY A 80 -2.495 -10.993 5.098 1.00 0.00 C ATOM 959 O GLY A 80 -2.363 -11.687 6.108 1.00 0.00 O ATOM 0 H GLY A 80 -4.163 -10.124 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.493 -12.477 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.904 -12.038 3.323 1.00 0.00 H new ATOM 963 N LEU A 81 -2.365 -9.668 5.110 1.00 0.00 N ATOM 964 CA LEU A 81 -2.055 -8.944 6.339 1.00 0.00 C ATOM 965 C LEU A 81 -3.265 -8.877 7.261 1.00 0.00 C ATOM 966 O LEU A 81 -4.390 -9.171 6.852 1.00 0.00 O ATOM 967 CB LEU A 81 -1.589 -7.516 6.037 1.00 0.00 C ATOM 968 CG LEU A 81 -0.820 -7.327 4.732 1.00 0.00 C ATOM 969 CD1 LEU A 81 -0.298 -5.903 4.633 1.00 0.00 C ATOM 970 CD2 LEU A 81 0.323 -8.326 4.642 1.00 0.00 C ATOM 0 H LEU A 81 -2.469 -9.077 4.286 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.253 -9.492 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.463 -6.866 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.959 -7.179 6.860 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.496 -7.506 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.249 -5.780 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.136 -5.206 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.368 -5.700 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.862 -8.179 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.004 -8.177 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.076 -9.340 4.675 1.00 0.00 H new ATOM 982 N PRO A 82 -3.048 -8.466 8.520 1.00 0.00 N ATOM 983 CA PRO A 82 -4.120 -8.333 9.504 1.00 0.00 C ATOM 984 C PRO A 82 -5.058 -7.184 9.154 1.00 0.00 C ATOM 985 O PRO A 82 -4.891 -6.526 8.127 1.00 0.00 O ATOM 986 CB PRO A 82 -3.391 -8.039 10.823 1.00 0.00 C ATOM 987 CG PRO A 82 -1.938 -8.268 10.552 1.00 0.00 C ATOM 988 CD PRO A 82 -1.746 -8.082 9.075 1.00 0.00 C ATOM 0 HA PRO A 82 -4.741 -9.228 9.550 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.570 -7.014 11.148 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.747 -8.693 11.619 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.323 -7.566 11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.639 -9.270 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.491 -7.051 8.828 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.943 -8.710 8.691 1.00 0.00 H new ATOM 996 N LEU A 83 -6.036 -6.941 10.015 1.00 0.00 N ATOM 997 CA LEU A 83 -6.992 -5.864 9.796 1.00 0.00 C ATOM 998 C LEU A 83 -6.384 -4.517 10.172 1.00 0.00 C ATOM 999 O LEU A 83 -6.384 -3.580 9.373 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.265 -6.123 10.604 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.343 -5.036 10.523 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.234 -4.092 11.710 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -9.257 -4.260 9.215 1.00 0.00 C ATOM 0 H LEU A 83 -6.189 -7.474 10.871 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.247 -5.835 8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.700 -7.064 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.988 -6.255 11.650 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.315 -5.528 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.006 -3.326 11.638 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.365 -4.654 12.635 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.252 -3.619 11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.036 -3.498 9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.280 -3.783 9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.393 -4.943 8.377 1.00 0.00 H new ATOM 1015 N SER A 84 -5.857 -4.429 11.388 1.00 0.00 N ATOM 1016 CA SER A 84 -5.237 -3.198 11.861 1.00 0.00 C ATOM 1017 C SER A 84 -4.164 -2.725 10.886 1.00 0.00 C ATOM 1018 O SER A 84 -4.019 -1.528 10.635 1.00 0.00 O ATOM 1019 CB SER A 84 -4.627 -3.409 13.248 1.00 0.00 C ATOM 1020 OG SER A 84 -4.764 -2.248 14.049 1.00 0.00 O ATOM 0 H SER A 84 -5.847 -5.194 12.063 1.00 0.00 H new ATOM 0 HA SER A 84 -6.009 -2.431 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.114 -4.252 13.738 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.572 -3.664 13.149 1.00 0.00 H new ATOM 0 HG SER A 84 -4.368 -2.410 14.930 1.00 0.00 H new ATOM 1026 N THR A 85 -3.413 -3.677 10.333 1.00 0.00 N ATOM 1027 CA THR A 85 -2.359 -3.353 9.387 1.00 0.00 C ATOM 1028 C THR A 85 -2.927 -2.688 8.140 1.00 0.00 C ATOM 1029 O THR A 85 -2.368 -1.710 7.648 1.00 0.00 O ATOM 1030 CB THR A 85 -1.588 -4.609 8.998 1.00 0.00 C ATOM 1031 OG1 THR A 85 -1.113 -5.283 10.150 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.399 -4.331 8.105 1.00 0.00 C ATOM 0 H THR A 85 -3.518 -4.673 10.526 1.00 0.00 H new ATOM 0 HA THR A 85 -1.679 -2.653 9.872 1.00 0.00 H new ATOM 0 HB THR A 85 -2.299 -5.224 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.209 -5.621 9.982 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.104 -5.268 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.739 -3.857 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.295 -3.667 8.620 1.00 0.00 H new ATOM 1040 N CYS A 86 -4.041 -3.216 7.630 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.663 -2.654 6.436 1.00 0.00 C ATOM 1042 C CYS A 86 -5.034 -1.192 6.657 1.00 0.00 C ATOM 1043 O CYS A 86 -4.673 -0.322 5.860 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.902 -3.463 6.052 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.546 -5.174 5.589 1.00 0.00 S ATOM 0 H CYS A 86 -4.525 -4.024 8.022 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.943 -2.705 5.619 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.599 -3.461 6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.403 -2.969 5.220 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.533 -5.918 6.655 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.746 -0.918 7.746 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.142 0.448 8.060 1.00 0.00 C ATOM 1053 C GLN A 87 -4.933 1.373 8.009 1.00 0.00 C ATOM 1054 O GLN A 87 -4.997 2.467 7.451 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.797 0.511 9.438 1.00 0.00 C ATOM 1056 CG GLN A 87 -8.272 0.158 9.412 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.743 -0.464 10.709 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -8.259 -0.123 11.789 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -9.691 -1.386 10.607 1.00 0.00 N ATOM 0 H GLN A 87 -6.058 -1.618 8.420 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.867 0.778 7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.278 -0.171 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.677 1.515 9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.854 1.058 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.462 -0.534 8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.062 -1.636 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.049 -1.845 11.445 1.00 0.00 H new ATOM 1068 N SER A 88 -3.825 0.918 8.587 1.00 0.00 N ATOM 1069 CA SER A 88 -2.598 1.694 8.596 1.00 0.00 C ATOM 1070 C SER A 88 -2.130 1.965 7.168 1.00 0.00 C ATOM 1071 O SER A 88 -1.588 3.030 6.869 1.00 0.00 O ATOM 1072 CB SER A 88 -1.506 0.961 9.376 1.00 0.00 C ATOM 1073 OG SER A 88 -1.890 0.763 10.726 1.00 0.00 O ATOM 0 H SER A 88 -3.756 0.014 9.055 1.00 0.00 H new ATOM 0 HA SER A 88 -2.798 2.646 9.087 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.304 -0.002 8.907 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.580 1.535 9.338 1.00 0.00 H new ATOM 0 HG SER A 88 -2.564 0.053 10.774 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.353 0.992 6.285 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.964 1.125 4.885 1.00 0.00 C ATOM 1081 C ILE A 89 -2.640 2.340 4.263 1.00 0.00 C ATOM 1082 O ILE A 89 -1.988 3.172 3.632 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.344 -0.132 4.072 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.759 -1.389 4.729 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.881 0.003 2.628 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.378 -1.767 4.240 1.00 0.00 C ATOM 0 H ILE A 89 -2.800 0.105 6.516 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.881 1.247 4.857 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.430 -0.229 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.719 -1.235 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.435 -2.225 4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.158 -0.893 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.355 0.873 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.798 0.125 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.042 -2.666 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.411 -1.956 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.316 -0.951 4.443 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.949 2.440 4.458 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.717 3.550 3.933 1.00 0.00 C ATOM 1100 C ILE A 90 -4.404 4.832 4.695 1.00 0.00 C ATOM 1101 O ILE A 90 -4.233 5.896 4.102 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.219 3.258 4.026 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.549 1.948 3.310 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.005 4.407 3.437 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -8.008 1.561 3.394 1.00 0.00 C ATOM 0 H ILE A 90 -4.499 1.758 4.980 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.440 3.681 2.887 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.497 3.151 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.265 2.036 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.945 1.148 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.071 4.192 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.782 5.321 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.729 4.538 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.166 0.622 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.293 1.440 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.618 2.342 2.940 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.329 4.723 6.017 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.032 5.874 6.862 1.00 0.00 C ATOM 1119 C LYS A 91 -2.729 6.539 6.436 1.00 0.00 C ATOM 1120 O LYS A 91 -2.513 7.726 6.683 1.00 0.00 O ATOM 1121 CB LYS A 91 -3.944 5.453 8.328 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.295 5.371 9.017 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.322 4.251 10.041 1.00 0.00 C ATOM 1124 CE LYS A 91 -6.674 4.153 10.729 1.00 0.00 C ATOM 1125 NZ LYS A 91 -6.752 5.028 11.931 1.00 0.00 N ATOM 0 H LYS A 91 -4.470 3.850 6.526 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.843 6.593 6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.454 4.481 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.314 6.163 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.515 6.320 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.076 5.207 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.093 3.304 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.545 4.420 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.460 4.431 10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.859 3.119 11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.854 4.440 12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.884 5.596 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.573 5.661 11.847 1.00 0.00 H new ATOM 1139 N GLY A 92 -1.867 5.764 5.795 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.593 6.283 5.337 1.00 0.00 C ATOM 1141 C GLY A 92 -0.732 7.186 4.127 1.00 0.00 C ATOM 1142 O GLY A 92 -0.086 8.231 4.048 1.00 0.00 O ATOM 0 H GLY A 92 -2.028 4.779 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.118 6.837 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.067 5.451 5.091 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.574 6.784 3.178 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.788 7.568 1.966 1.00 0.00 C ATOM 1148 C LEU A 93 -2.915 8.581 2.157 1.00 0.00 C ATOM 1149 O LEU A 93 -3.840 8.657 1.348 1.00 0.00 O ATOM 1150 CB LEU A 93 -2.107 6.652 0.784 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.143 5.567 1.074 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.294 5.646 0.082 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.498 4.189 1.043 1.00 0.00 C ATOM 0 H LEU A 93 -2.118 5.922 3.225 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.867 8.112 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.464 7.263 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.185 6.175 0.453 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.544 5.733 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.021 4.865 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.774 6.622 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.913 5.508 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.252 3.430 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.067 4.011 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.713 4.138 1.797 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.828 9.359 3.230 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.837 10.370 3.525 1.00 0.00 C ATOM 1167 C LYS A 94 -3.512 11.689 2.828 1.00 0.00 C ATOM 1168 O LYS A 94 -4.400 12.508 2.585 1.00 0.00 O ATOM 1169 CB LYS A 94 -3.940 10.589 5.035 1.00 0.00 C ATOM 1170 CG LYS A 94 -4.985 11.620 5.432 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.344 12.882 5.989 1.00 0.00 C ATOM 1172 CE LYS A 94 -3.881 12.684 7.423 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.937 13.058 8.405 1.00 0.00 N ATOM 0 H LYS A 94 -2.069 9.309 3.910 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.795 10.011 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.177 9.640 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.968 10.904 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.595 11.873 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.654 11.192 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.495 13.165 5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.059 13.704 5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.599 11.642 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.989 13.285 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.582 12.908 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.189 14.059 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.779 12.468 8.251 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.235 11.893 2.515 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.795 13.116 1.854 1.00 0.00 C ATOM 1189 C ASN A 95 -1.231 12.821 0.465 1.00 0.00 C ATOM 1190 O ASN A 95 -0.051 13.053 0.201 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.737 13.819 2.708 1.00 0.00 C ATOM 1192 CG ASN A 95 -1.295 14.321 4.025 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -1.853 15.415 4.100 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -1.148 13.518 5.073 1.00 0.00 N ATOM 0 H ASN A 95 -1.488 11.227 2.709 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.660 13.769 1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.084 13.129 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.322 14.658 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.505 13.800 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.678 12.619 4.965 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.080 12.306 -0.421 1.00 0.00 N ATOM 1202 CA GLN A 96 -1.656 11.980 -1.783 1.00 0.00 C ATOM 1203 C GLN A 96 -2.522 12.684 -2.825 1.00 0.00 C ATOM 1204 O GLN A 96 -2.059 12.982 -3.926 1.00 0.00 O ATOM 1205 CB GLN A 96 -1.710 10.469 -2.020 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.399 9.639 -0.788 1.00 0.00 C ATOM 1207 CD GLN A 96 0.029 9.819 -0.307 1.00 0.00 C ATOM 1208 OE1 GLN A 96 0.287 10.553 0.647 1.00 0.00 O ATOM 1209 NE2 GLN A 96 0.963 9.146 -0.967 1.00 0.00 N ATOM 0 H GLN A 96 -3.060 12.106 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 96 -0.629 12.329 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.703 10.204 -2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.003 10.210 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.085 9.914 0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.573 8.586 -1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.703 8.549 -1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.941 9.226 -0.689 1.00 0.00 H new ATOM 1218 N SER A 97 -3.784 12.932 -2.477 1.00 0.00 N ATOM 1219 CA SER A 97 -4.729 13.588 -3.383 1.00 0.00 C ATOM 1220 C SER A 97 -5.338 12.588 -4.368 1.00 0.00 C ATOM 1221 O SER A 97 -6.195 12.947 -5.177 1.00 0.00 O ATOM 1222 CB SER A 97 -4.055 14.734 -4.147 1.00 0.00 C ATOM 1223 OG SER A 97 -5.013 15.662 -4.626 1.00 0.00 O ATOM 0 H SER A 97 -4.178 12.687 -1.569 1.00 0.00 H new ATOM 0 HA SER A 97 -5.531 14.002 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.346 15.243 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.485 14.331 -4.984 1.00 0.00 H new ATOM 0 HG SER A 97 -5.915 15.326 -4.441 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.903 11.331 -4.290 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.417 10.283 -5.165 1.00 0.00 C ATOM 1231 C ARG A 98 -5.255 8.919 -4.505 1.00 0.00 C ATOM 1232 O ARG A 98 -4.199 8.608 -3.955 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.701 10.299 -6.518 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.600 9.915 -7.681 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.362 10.802 -8.891 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.407 12.222 -8.550 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.080 13.198 -9.393 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.683 12.914 -10.627 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -5.149 14.462 -9.001 1.00 0.00 N ATOM 0 H ARG A 98 -4.194 11.015 -3.628 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.477 10.473 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.296 11.296 -6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.855 9.613 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.421 8.874 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.643 9.989 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.392 10.565 -9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.114 10.588 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.707 12.480 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.627 11.943 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.434 13.667 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.453 14.686 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.898 15.211 -9.647 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.308 8.110 -4.552 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.272 6.786 -3.943 1.00 0.00 C ATOM 1255 C VAL A 99 -6.508 5.686 -4.971 1.00 0.00 C ATOM 1256 O VAL A 99 -7.639 5.456 -5.403 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.324 6.660 -2.825 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -7.124 5.370 -2.045 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.267 7.865 -1.897 1.00 0.00 C ATOM 0 H VAL A 99 -7.192 8.346 -5.003 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.275 6.665 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.312 6.631 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.877 5.299 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.221 4.519 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.130 5.366 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.018 7.757 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.277 7.929 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.465 8.773 -2.467 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.436 4.997 -5.346 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.519 3.907 -6.304 1.00 0.00 C ATOM 1271 C LYS A 100 -5.744 2.592 -5.568 1.00 0.00 C ATOM 1272 O LYS A 100 -4.808 2.026 -5.004 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.229 3.829 -7.117 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.348 2.952 -8.348 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.638 3.564 -9.547 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.595 3.793 -10.709 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.233 2.972 -11.897 1.00 0.00 N ATOM 0 H LYS A 100 -4.495 5.178 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.355 4.089 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.939 4.834 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.430 3.446 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.925 1.970 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.401 2.801 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.184 4.511 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.829 2.907 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.611 3.550 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.589 4.848 -10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.909 3.157 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.274 3.221 -12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.264 1.964 -11.644 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.983 2.114 -5.545 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.295 0.877 -4.837 1.00 0.00 C ATOM 1293 C LEU A 101 -7.771 -0.226 -5.766 1.00 0.00 C ATOM 1294 O LEU A 101 -8.797 -0.098 -6.431 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.362 1.113 -3.767 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.507 2.557 -3.290 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.850 3.126 -3.714 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -8.333 2.631 -1.784 1.00 0.00 C ATOM 0 H LEU A 101 -7.780 2.557 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.363 0.555 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.323 0.780 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -8.133 0.485 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.727 3.161 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.935 4.155 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.928 3.103 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.652 2.528 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.438 3.665 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.092 2.017 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.343 2.264 -1.514 1.00 0.00 H new ATOM 1310 N ASN A 102 -7.043 -1.329 -5.760 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.407 -2.486 -6.560 1.00 0.00 C ATOM 1312 C ASN A 102 -8.303 -3.390 -5.729 1.00 0.00 C ATOM 1313 O ASN A 102 -7.821 -4.245 -4.989 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.162 -3.246 -7.019 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.300 -3.756 -8.440 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -6.063 -4.930 -8.718 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.684 -2.866 -9.346 1.00 0.00 N ATOM 0 H ASN A 102 -6.193 -1.448 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.939 -2.155 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.293 -2.592 -6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.982 -4.086 -6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.794 -3.145 -10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.869 -1.902 -9.068 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.605 -3.167 -5.820 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.560 -3.937 -5.035 1.00 0.00 C ATOM 1326 C ILE A 103 -11.419 -4.850 -5.903 1.00 0.00 C ATOM 1327 O ILE A 103 -11.491 -4.685 -7.118 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.464 -3.002 -4.193 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.684 -2.525 -4.983 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.670 -1.799 -3.703 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.808 -2.055 -4.093 1.00 0.00 C ATOM 0 H ILE A 103 -10.024 -2.462 -6.427 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.978 -4.570 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.820 -3.579 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.387 -1.712 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.042 -3.337 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.318 -1.151 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.838 -2.139 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.284 -1.245 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.647 -1.728 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.128 -2.873 -3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.463 -1.223 -3.479 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.080 -5.802 -5.257 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.953 -6.735 -5.952 1.00 0.00 C ATOM 1345 C VAL A 104 -14.411 -6.351 -5.743 1.00 0.00 C ATOM 1346 O VAL A 104 -14.956 -6.513 -4.648 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.735 -8.185 -5.471 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.633 -9.150 -6.234 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.274 -8.581 -5.615 1.00 0.00 C ATOM 0 H VAL A 104 -12.027 -5.947 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.705 -6.682 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.002 -8.238 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.461 -10.166 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.677 -8.880 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.404 -9.096 -7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.139 -9.606 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.979 -8.508 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.655 -7.913 -5.016 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.036 -5.836 -6.796 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.431 -5.423 -6.732 1.00 0.00 C ATOM 1361 C ARG A 105 -17.341 -6.633 -6.560 1.00 0.00 C ATOM 1362 O ARG A 105 -16.964 -7.755 -6.900 1.00 0.00 O ATOM 1363 CB ARG A 105 -16.815 -4.651 -7.996 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.540 -3.345 -7.713 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.642 -3.088 -8.727 1.00 0.00 C ATOM 1366 NE ARG A 105 -19.791 -2.413 -8.126 1.00 0.00 N ATOM 1367 CZ ARG A 105 -20.911 -2.128 -8.785 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -21.037 -2.458 -10.065 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.907 -1.513 -8.165 1.00 0.00 N ATOM 0 H ARG A 105 -14.597 -5.695 -7.706 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.556 -4.769 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.913 -4.440 -8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.449 -5.282 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -17.967 -3.374 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -16.827 -2.521 -7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.250 -2.480 -9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -18.964 -4.035 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.730 -2.145 -7.144 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.273 -2.932 -10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.898 -2.237 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.816 -1.258 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -22.765 -1.295 -8.671 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.603 4.092 13.370 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.269 3.529 13.146 1.00 0.00 C ATOM 1386 C PRO B -3 -14.225 4.607 12.866 1.00 0.00 C ATOM 1387 O PRO B -3 -14.558 5.782 12.708 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.462 2.637 11.920 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.605 3.242 11.184 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.505 3.855 12.225 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.524 5.095 13.537 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.008 3.681 14.211 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.898 2.996 14.022 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.563 2.613 11.304 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.678 1.609 12.209 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.257 3.997 10.479 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.138 2.487 10.606 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -17.954 4.783 11.870 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.323 3.186 12.491 1.00 0.00 H new ATOM 1398 N VAL B -2 -12.960 4.200 12.808 1.00 0.00 N ATOM 1399 CA VAL B -2 -11.866 5.131 12.552 1.00 0.00 C ATOM 1400 C VAL B -2 -12.083 5.900 11.251 1.00 0.00 C ATOM 1401 O VAL B -2 -11.853 7.107 11.188 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.510 4.401 12.482 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.126 3.858 13.850 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.553 3.287 11.449 1.00 0.00 C ATOM 0 H VAL B -2 -12.667 3.231 12.935 1.00 0.00 H new ATOM 0 HA VAL B -2 -11.852 5.833 13.386 1.00 0.00 H new ATOM 0 HB VAL B -2 -9.748 5.117 12.174 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.166 3.346 13.782 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -10.048 4.682 14.560 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.888 3.157 14.190 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.586 2.784 11.415 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.326 2.568 11.721 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.777 3.708 10.469 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.529 5.193 10.218 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.781 5.810 8.919 1.00 0.00 C ATOM 1416 C TYR B -1 -11.486 6.326 8.297 1.00 0.00 C ATOM 1417 O TYR B -1 -11.094 7.472 8.517 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.783 6.959 9.062 1.00 0.00 C ATOM 1419 CG TYR B -1 -15.195 6.586 8.670 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.479 6.108 7.397 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -16.243 6.713 9.572 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.768 5.767 7.036 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.535 6.374 9.218 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.792 5.902 7.949 1.00 0.00 C ATOM 1425 OH TYR B -1 -19.077 5.564 7.593 1.00 0.00 O ATOM 0 H TYR B -1 -12.724 4.192 10.254 1.00 0.00 H new ATOM 0 HA TYR B -1 -13.200 5.049 8.261 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.781 7.304 10.096 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.453 7.796 8.446 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.680 6.001 6.679 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -16.045 7.083 10.567 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.973 5.396 6.043 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -18.339 6.478 9.932 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.678 5.717 8.352 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.828 5.474 7.514 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.582 5.850 6.857 1.00 0.00 C ATOM 1437 C ILE B 0 -9.835 6.847 5.735 1.00 0.00 C ATOM 1438 O ILE B 0 -11.006 7.247 5.553 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.843 4.620 6.291 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.707 3.882 5.265 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.446 3.682 7.420 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.935 4.648 3.978 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.862 7.212 5.042 1.00 0.00 O ATOM 0 H ILE B 0 -11.137 4.521 7.320 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.953 6.315 7.616 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.942 4.967 5.785 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.235 2.928 5.028 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.673 3.656 5.716 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.925 2.817 7.009 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.788 4.206 8.114 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.340 3.350 7.948 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.556 4.055 3.307 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.437 5.590 4.199 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -8.976 4.851 3.501 1.00 0.00 H new