USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 41 TYR OH : rot -130:sc= 0.277 USER MOD Set 1.2: A 67 TYR OH : rot 165:sc= 0.269 USER MOD Set 2.1: A 62 GLN : amide:sc= -1.47 K(o=-0.98,f=0.77) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.486 K(o=-0.98,f=-8.3!) USER MOD Set 3.1: A 46 MET CE :methyl -150:sc= -2.17 (180deg=-3.02!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 7 GLN : amide:sc= -0.0544 K(o=0.18,f=-1.1) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.232 K(o=0.18,f=-3.3!) USER MOD Set 5.1: A 10 GLN : amide:sc= 0 K(o=-4.6,f=-2.9) USER MOD Set 5.2: A 25 HIS : no HD1:sc= -4.46! C(o=-4.6!,f=-2.9!) USER MOD Set 5.3: A 26 CYS SG : rot 160:sc= -0.107 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 1.73 (180deg=1.4) USER MOD Single : A 12 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.52) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.926 K(o=-0.93,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 59:sc= 0.764 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.9! K(o=-2.9!,f=-0.58) USER MOD Single : A 36 GLN : amide:sc= -0.821 K(o=-0.82,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.114 K(o=-0.11,f=-5!) USER MOD Single : A 42 SER OG : rot 41:sc= -0.154 USER MOD Single : A 43 ASN : amide:sc= -1.28 K(o=-1.3,f=-4!) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.19) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 56 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.08) USER MOD Single : A 59 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.18) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.262 (180deg=-1.87) USER MOD Single : A 61 CYS SG : rot 77:sc= -0.689 USER MOD Single : A 68 THR OG1 : rot 80:sc=-0.00859 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 73 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=-3.9) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -136:sc= -1.7 (180deg=-2.28!) USER MOD Single : A 81 GLN : amide:sc= -9.82! C(o=-9.8!,f=-9.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 20.221 -6.713 -6.645 1.00 0.00 N ATOM 32 CA PHE A 4 19.199 -5.868 -7.260 1.00 0.00 C ATOM 33 C PHE A 4 19.878 -4.597 -7.723 1.00 0.00 C ATOM 34 O PHE A 4 19.589 -4.055 -8.784 1.00 0.00 O ATOM 35 CB PHE A 4 18.156 -5.523 -6.191 1.00 0.00 C ATOM 36 CG PHE A 4 17.173 -4.432 -6.563 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.502 -3.074 -6.401 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.904 -4.783 -7.048 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.556 -2.083 -6.681 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.966 -3.787 -7.339 1.00 0.00 C ATOM 41 CZ PHE A 4 15.288 -2.434 -7.159 1.00 0.00 C ATOM 0 HA PHE A 4 18.717 -6.370 -8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.595 -6.426 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.679 -5.222 -5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.488 -2.796 -6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.651 -5.822 -7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.805 -1.043 -6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.988 -4.062 -7.705 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.562 -1.668 -7.388 1.00 0.00 H new ATOM 51 N GLU A 5 20.800 -4.139 -6.884 1.00 0.00 N ATOM 52 CA GLU A 5 21.621 -2.984 -7.124 1.00 0.00 C ATOM 53 C GLU A 5 22.290 -3.011 -8.486 1.00 0.00 C ATOM 54 O GLU A 5 22.305 -1.993 -9.165 1.00 0.00 O ATOM 55 CB GLU A 5 22.701 -2.999 -6.062 1.00 0.00 C ATOM 56 CG GLU A 5 22.090 -2.798 -4.680 1.00 0.00 C ATOM 57 CD GLU A 5 23.162 -2.822 -3.593 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.755 -1.751 -3.332 1.00 0.00 O ATOM 59 OE2 GLU A 5 23.378 -3.917 -3.027 1.00 0.00 O ATOM 0 H GLU A 5 20.994 -4.587 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 5 20.996 -2.092 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.239 -3.947 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.428 -2.213 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.559 -1.847 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.355 -3.580 -4.487 1.00 0.00 H new ATOM 66 N LYS A 6 22.855 -4.140 -8.919 1.00 0.00 N ATOM 67 CA LYS A 6 23.658 -4.085 -10.122 1.00 0.00 C ATOM 68 C LYS A 6 22.746 -3.987 -11.326 1.00 0.00 C ATOM 69 O LYS A 6 23.032 -3.274 -12.276 1.00 0.00 O ATOM 70 CB LYS A 6 24.524 -5.327 -10.218 1.00 0.00 C ATOM 71 CG LYS A 6 25.914 -5.060 -9.652 1.00 0.00 C ATOM 72 CD LYS A 6 25.862 -4.739 -8.157 1.00 0.00 C ATOM 73 CE LYS A 6 27.297 -4.619 -7.646 1.00 0.00 C ATOM 74 NZ LYS A 6 27.324 -4.344 -6.198 1.00 0.00 N ATOM 0 H LYS A 6 22.774 -5.055 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 6 24.306 -3.209 -10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.055 -6.146 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.604 -5.641 -11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.548 -5.932 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.372 -4.228 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.318 -3.810 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.330 -5.523 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.839 -5.542 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.811 -3.820 -8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.310 -4.267 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.827 -3.451 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.854 -5.119 -5.689 1.00 0.00 H new ATOM 88 N GLN A 7 21.632 -4.708 -11.278 1.00 0.00 N ATOM 89 CA GLN A 7 20.604 -4.660 -12.293 1.00 0.00 C ATOM 90 C GLN A 7 20.005 -3.261 -12.408 1.00 0.00 C ATOM 91 O GLN A 7 19.294 -2.968 -13.366 1.00 0.00 O ATOM 92 CB GLN A 7 19.544 -5.664 -11.868 1.00 0.00 C ATOM 93 CG GLN A 7 20.160 -7.055 -11.720 1.00 0.00 C ATOM 94 CD GLN A 7 20.308 -7.729 -13.071 1.00 0.00 C ATOM 95 OE1 GLN A 7 21.106 -7.316 -13.907 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.532 -8.782 -13.291 1.00 0.00 N ATOM 0 H GLN A 7 21.421 -5.352 -10.516 1.00 0.00 H new ATOM 0 HA GLN A 7 21.013 -4.902 -13.274 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.098 -5.354 -10.923 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.742 -5.691 -12.606 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.135 -6.976 -11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 7 19.534 -7.667 -11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.881 -9.095 -12.571 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.586 -9.279 -14.180 1.00 0.00 H new ATOM 105 N LYS A 8 20.290 -2.388 -11.434 1.00 0.00 N ATOM 106 CA LYS A 8 19.763 -1.037 -11.374 1.00 0.00 C ATOM 107 C LYS A 8 20.845 -0.032 -11.731 1.00 0.00 C ATOM 108 O LYS A 8 20.566 0.969 -12.386 1.00 0.00 O ATOM 109 CB LYS A 8 19.306 -0.848 -9.936 1.00 0.00 C ATOM 110 CG LYS A 8 18.781 0.556 -9.670 1.00 0.00 C ATOM 111 CD LYS A 8 18.343 0.545 -8.214 1.00 0.00 C ATOM 112 CE LYS A 8 19.536 0.438 -7.270 1.00 0.00 C ATOM 113 NZ LYS A 8 20.347 1.674 -7.258 1.00 0.00 N ATOM 0 H LYS A 8 20.907 -2.615 -10.654 1.00 0.00 H new ATOM 0 HA LYS A 8 18.946 -0.884 -12.080 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.525 -1.573 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.139 -1.054 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.553 1.305 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.948 0.797 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.785 1.455 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.667 -0.293 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.182 0.227 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.161 -0.403 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.054 1.618 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.831 1.781 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.728 2.494 -7.096 1.00 0.00 H new ATOM 127 N GLU A 9 22.073 -0.313 -11.292 1.00 0.00 N ATOM 128 CA GLU A 9 23.244 0.531 -11.490 1.00 0.00 C ATOM 129 C GLU A 9 23.904 0.278 -12.841 1.00 0.00 C ATOM 130 O GLU A 9 24.560 1.160 -13.384 1.00 0.00 O ATOM 131 CB GLU A 9 24.234 0.233 -10.375 1.00 0.00 C ATOM 132 CG GLU A 9 23.554 0.584 -9.057 1.00 0.00 C ATOM 133 CD GLU A 9 23.596 2.078 -8.758 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.712 2.606 -8.556 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.498 2.676 -8.741 1.00 0.00 O ATOM 0 H GLU A 9 22.283 -1.165 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 9 22.933 1.576 -11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.524 -0.818 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.145 0.817 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.516 0.252 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.039 0.041 -8.246 1.00 0.00 H new ATOM 142 N GLN A 10 23.729 -0.927 -13.386 1.00 0.00 N ATOM 143 CA GLN A 10 24.241 -1.238 -14.713 1.00 0.00 C ATOM 144 C GLN A 10 23.426 -0.530 -15.786 1.00 0.00 C ATOM 145 O GLN A 10 23.990 0.118 -16.666 1.00 0.00 O ATOM 146 CB GLN A 10 24.178 -2.750 -14.950 1.00 0.00 C ATOM 147 CG GLN A 10 25.089 -3.124 -16.121 1.00 0.00 C ATOM 148 CD GLN A 10 24.605 -4.395 -16.806 1.00 0.00 C ATOM 149 OE1 GLN A 10 25.050 -5.497 -16.489 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.681 -4.245 -17.750 1.00 0.00 N ATOM 0 H GLN A 10 23.239 -1.696 -12.929 1.00 0.00 H new ATOM 0 HA GLN A 10 25.274 -0.895 -14.771 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.488 -3.283 -14.051 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.153 -3.053 -15.163 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.115 -2.306 -16.841 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.108 -3.266 -15.762 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.337 -3.314 -17.984 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.316 -5.061 -18.240 1.00 0.00 H new ATOM 159 N GLY A 11 22.094 -0.647 -15.718 1.00 0.00 N ATOM 160 CA GLY A 11 21.223 0.016 -16.672 1.00 0.00 C ATOM 161 C GLY A 11 21.224 1.522 -16.423 1.00 0.00 C ATOM 162 O GLY A 11 20.775 2.293 -17.264 1.00 0.00 O ATOM 0 H GLY A 11 21.605 -1.195 -15.010 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.558 -0.193 -17.688 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.209 -0.375 -16.584 1.00 0.00 H new ATOM 166 N ASN A 12 21.740 1.931 -15.257 1.00 0.00 N ATOM 167 CA ASN A 12 21.809 3.313 -14.812 1.00 0.00 C ATOM 168 C ASN A 12 22.647 4.151 -15.767 1.00 0.00 C ATOM 169 O ASN A 12 22.610 5.374 -15.698 1.00 0.00 O ATOM 170 CB ASN A 12 22.460 3.327 -13.432 1.00 0.00 C ATOM 171 CG ASN A 12 21.967 4.400 -12.475 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.575 5.492 -12.879 1.00 0.00 O ATOM 173 ND2 ASN A 12 21.993 4.069 -11.186 1.00 0.00 N ATOM 0 H ASN A 12 22.133 1.278 -14.579 1.00 0.00 H new ATOM 0 HA ASN A 12 20.805 3.735 -14.780 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.303 2.354 -12.968 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.536 3.449 -13.560 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.678 4.736 -10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.328 3.148 -10.903 1.00 0.00 H new ATOM 180 N SER A 13 23.409 3.504 -16.657 1.00 0.00 N ATOM 181 CA SER A 13 24.148 4.235 -17.670 1.00 0.00 C ATOM 182 C SER A 13 23.728 3.819 -19.073 1.00 0.00 C ATOM 183 O SER A 13 23.759 4.642 -19.980 1.00 0.00 O ATOM 184 CB SER A 13 25.645 4.057 -17.445 1.00 0.00 C ATOM 185 OG SER A 13 26.005 2.704 -17.628 1.00 0.00 O ATOM 0 H SER A 13 23.524 2.491 -16.690 1.00 0.00 H new ATOM 0 HA SER A 13 23.914 5.296 -17.580 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.202 4.687 -18.138 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.910 4.379 -16.438 1.00 0.00 H new ATOM 0 HG SER A 13 26.969 2.599 -17.483 1.00 0.00 H new ATOM 191 N LEU A 14 23.325 2.562 -19.278 1.00 0.00 N ATOM 192 CA LEU A 14 22.796 2.118 -20.555 1.00 0.00 C ATOM 193 C LEU A 14 21.597 2.967 -20.977 1.00 0.00 C ATOM 194 O LEU A 14 21.382 3.197 -22.162 1.00 0.00 O ATOM 195 CB LEU A 14 22.422 0.651 -20.406 1.00 0.00 C ATOM 196 CG LEU A 14 23.655 -0.192 -20.055 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.510 -1.469 -20.846 1.00 0.00 C ATOM 198 CD2 LEU A 14 25.021 0.376 -20.461 1.00 0.00 C ATOM 0 H LEU A 14 23.359 1.834 -18.564 1.00 0.00 H new ATOM 0 HA LEU A 14 23.542 2.234 -21.341 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.667 0.541 -19.628 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.979 0.288 -21.333 1.00 0.00 H new ATOM 0 HG LEU A 14 23.665 -0.271 -18.968 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.359 -2.121 -20.643 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.588 -1.973 -20.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.478 -1.236 -21.910 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.807 -0.315 -20.156 1.00 0.00 H new ATOM 0 HD22 LEU A 14 25.053 0.508 -21.542 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.174 1.339 -19.973 1.00 0.00 H new ATOM 210 N PHE A 15 20.816 3.439 -20.002 1.00 0.00 N ATOM 211 CA PHE A 15 19.672 4.301 -20.249 1.00 0.00 C ATOM 212 C PHE A 15 20.139 5.681 -20.686 1.00 0.00 C ATOM 213 O PHE A 15 19.501 6.324 -21.514 1.00 0.00 O ATOM 214 CB PHE A 15 18.888 4.399 -18.942 1.00 0.00 C ATOM 215 CG PHE A 15 18.031 5.631 -18.771 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.874 5.815 -19.537 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.394 6.588 -17.815 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.071 6.946 -19.333 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.558 7.678 -17.557 1.00 0.00 C ATOM 220 CZ PHE A 15 16.406 7.871 -18.334 1.00 0.00 C ATOM 0 H PHE A 15 20.966 3.229 -19.015 1.00 0.00 H new ATOM 0 HA PHE A 15 19.047 3.894 -21.044 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.247 3.521 -18.860 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.595 4.356 -18.114 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.600 5.086 -20.285 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.323 6.483 -17.275 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.195 7.105 -19.945 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.798 8.369 -16.762 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.777 8.732 -18.163 1.00 0.00 H new ATOM 230 N LYS A 16 21.261 6.142 -20.131 1.00 0.00 N ATOM 231 CA LYS A 16 21.744 7.486 -20.381 1.00 0.00 C ATOM 232 C LYS A 16 22.598 7.580 -21.652 1.00 0.00 C ATOM 233 O LYS A 16 23.005 8.680 -22.030 1.00 0.00 O ATOM 234 CB LYS A 16 22.549 7.942 -19.166 1.00 0.00 C ATOM 235 CG LYS A 16 21.792 7.556 -17.904 1.00 0.00 C ATOM 236 CD LYS A 16 22.449 8.163 -16.673 1.00 0.00 C ATOM 237 CE LYS A 16 22.111 9.649 -16.574 1.00 0.00 C ATOM 238 NZ LYS A 16 22.661 10.239 -15.342 1.00 0.00 N ATOM 0 H LYS A 16 21.850 5.595 -19.503 1.00 0.00 H new ATOM 0 HA LYS A 16 20.884 8.136 -20.541 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.535 7.478 -19.171 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.703 9.021 -19.199 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.759 7.896 -17.976 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.764 6.471 -17.809 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.108 7.645 -15.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.530 8.031 -16.726 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.510 10.174 -17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.029 9.781 -16.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.416 11.249 -15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.260 9.752 -14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.696 10.133 -15.338 1.00 0.00 H new ATOM 252 N GLN A 17 22.876 6.450 -22.311 1.00 0.00 N ATOM 253 CA GLN A 17 23.755 6.379 -23.466 1.00 0.00 C ATOM 254 C GLN A 17 22.997 6.403 -24.787 1.00 0.00 C ATOM 255 O GLN A 17 23.580 6.749 -25.813 1.00 0.00 O ATOM 256 CB GLN A 17 24.550 5.075 -23.399 1.00 0.00 C ATOM 257 CG GLN A 17 25.719 5.240 -22.431 1.00 0.00 C ATOM 258 CD GLN A 17 26.655 4.042 -22.510 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.785 4.148 -22.979 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.184 2.889 -22.047 1.00 0.00 N ATOM 0 H GLN A 17 22.485 5.546 -22.045 1.00 0.00 H new ATOM 0 HA GLN A 17 24.402 7.255 -23.434 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.905 4.260 -23.071 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.919 4.810 -24.390 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.267 6.152 -22.667 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.343 5.348 -21.414 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.240 2.841 -21.665 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.767 2.052 -22.074 1.00 0.00 H new ATOM 269 N GLY A 18 21.714 6.039 -24.776 1.00 0.00 N ATOM 270 CA GLY A 18 20.953 5.962 -26.013 1.00 0.00 C ATOM 271 C GLY A 18 20.136 4.701 -26.139 1.00 0.00 C ATOM 272 O GLY A 18 19.215 4.615 -26.953 1.00 0.00 O ATOM 0 H GLY A 18 21.190 5.797 -23.935 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.289 6.824 -26.076 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.639 6.027 -26.857 1.00 0.00 H new ATOM 276 N LEU A 19 20.493 3.718 -25.324 1.00 0.00 N ATOM 277 CA LEU A 19 20.011 2.370 -25.471 1.00 0.00 C ATOM 278 C LEU A 19 19.108 2.018 -24.314 1.00 0.00 C ATOM 279 O LEU A 19 19.363 1.129 -23.505 1.00 0.00 O ATOM 280 CB LEU A 19 21.183 1.438 -25.734 1.00 0.00 C ATOM 281 CG LEU A 19 22.500 1.739 -25.004 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.628 0.832 -23.789 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.696 1.454 -25.909 1.00 0.00 C ATOM 0 H LEU A 19 21.131 3.845 -24.538 1.00 0.00 H new ATOM 0 HA LEU A 19 19.372 2.256 -26.347 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.875 0.426 -25.471 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.383 1.442 -26.806 1.00 0.00 H new ATOM 0 HG LEU A 19 22.489 2.790 -24.714 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.563 1.047 -23.272 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.791 1.008 -23.114 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.622 -0.210 -24.110 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.619 1.674 -25.372 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.688 0.404 -26.203 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.636 2.080 -26.799 1.00 0.00 H new ATOM 295 N TYR A 20 18.019 2.778 -24.288 1.00 0.00 N ATOM 296 CA TYR A 20 16.972 2.726 -23.297 1.00 0.00 C ATOM 297 C TYR A 20 16.496 1.305 -23.072 1.00 0.00 C ATOM 298 O TYR A 20 16.195 0.940 -21.943 1.00 0.00 O ATOM 299 CB TYR A 20 15.847 3.611 -23.828 1.00 0.00 C ATOM 300 CG TYR A 20 16.386 4.943 -24.299 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.174 5.714 -23.434 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.125 5.384 -25.605 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.711 6.930 -23.879 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.664 6.599 -26.054 1.00 0.00 C ATOM 305 CZ TYR A 20 17.459 7.379 -25.190 1.00 0.00 C ATOM 306 OH TYR A 20 17.980 8.562 -25.623 1.00 0.00 O ATOM 0 H TYR A 20 17.841 3.484 -25.002 1.00 0.00 H new ATOM 0 HA TYR A 20 17.327 3.078 -22.328 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.340 3.107 -24.651 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.104 3.770 -23.046 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.367 5.372 -22.428 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.510 4.789 -26.264 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.320 7.525 -23.214 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.470 6.937 -27.061 1.00 0.00 H new ATOM 0 HH TYR A 20 17.709 8.719 -26.552 1.00 0.00 H new ATOM 316 N ARG A 21 16.428 0.494 -24.130 1.00 0.00 N ATOM 317 CA ARG A 21 15.914 -0.857 -24.015 1.00 0.00 C ATOM 318 C ARG A 21 16.969 -1.744 -23.384 1.00 0.00 C ATOM 319 O ARG A 21 16.649 -2.594 -22.558 1.00 0.00 O ATOM 320 CB ARG A 21 15.611 -1.353 -25.427 1.00 0.00 C ATOM 321 CG ARG A 21 14.450 -2.338 -25.442 1.00 0.00 C ATOM 322 CD ARG A 21 14.482 -3.332 -24.278 1.00 0.00 C ATOM 323 NE ARG A 21 13.405 -4.324 -24.402 1.00 0.00 N ATOM 324 CZ ARG A 21 13.568 -5.548 -24.914 1.00 0.00 C ATOM 325 NH1 ARG A 21 14.756 -5.955 -25.364 1.00 0.00 N ATOM 326 NH2 ARG A 21 12.536 -6.381 -24.982 1.00 0.00 N ATOM 0 H ARG A 21 16.724 0.756 -25.070 1.00 0.00 H new ATOM 0 HA ARG A 21 15.017 -0.880 -23.396 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.376 -0.504 -26.068 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.498 -1.830 -25.843 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.512 -1.783 -25.411 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.463 -2.890 -26.382 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.447 -3.839 -24.254 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.380 -2.796 -23.334 1.00 0.00 H new ATOM 0 HE ARG A 21 12.474 -4.062 -24.077 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.560 -5.328 -25.321 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.861 -6.893 -25.751 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.620 -6.087 -24.644 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.659 -7.315 -25.373 1.00 0.00 H new ATOM 340 N GLU A 22 18.229 -1.547 -23.765 1.00 0.00 N ATOM 341 CA GLU A 22 19.327 -2.280 -23.167 1.00 0.00 C ATOM 342 C GLU A 22 19.475 -1.864 -21.706 1.00 0.00 C ATOM 343 O GLU A 22 20.263 -2.449 -20.965 1.00 0.00 O ATOM 344 CB GLU A 22 20.621 -2.011 -23.926 1.00 0.00 C ATOM 345 CG GLU A 22 20.503 -2.434 -25.390 1.00 0.00 C ATOM 346 CD GLU A 22 21.820 -2.263 -26.140 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.843 -2.796 -25.656 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.798 -1.594 -27.198 1.00 0.00 O ATOM 0 H GLU A 22 18.509 -0.883 -24.487 1.00 0.00 H new ATOM 0 HA GLU A 22 19.116 -3.348 -23.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.864 -0.950 -23.870 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.441 -2.551 -23.454 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.188 -3.476 -25.442 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.728 -1.842 -25.877 1.00 0.00 H new ATOM 355 N ALA A 23 18.712 -0.849 -21.286 1.00 0.00 N ATOM 356 CA ALA A 23 18.631 -0.468 -19.898 1.00 0.00 C ATOM 357 C ALA A 23 17.436 -1.168 -19.235 1.00 0.00 C ATOM 358 O ALA A 23 17.584 -1.742 -18.159 1.00 0.00 O ATOM 359 CB ALA A 23 18.500 1.053 -19.824 1.00 0.00 C ATOM 0 H ALA A 23 18.140 -0.278 -21.908 1.00 0.00 H new ATOM 0 HA ALA A 23 19.529 -0.774 -19.361 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.437 1.362 -18.781 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.371 1.516 -20.288 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.599 1.367 -20.350 1.00 0.00 H new ATOM 365 N VAL A 24 16.250 -1.133 -19.861 1.00 0.00 N ATOM 366 CA VAL A 24 15.051 -1.730 -19.313 1.00 0.00 C ATOM 367 C VAL A 24 15.144 -3.232 -19.216 1.00 0.00 C ATOM 368 O VAL A 24 14.646 -3.842 -18.275 1.00 0.00 O ATOM 369 CB VAL A 24 13.807 -1.381 -20.124 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.842 -0.076 -20.888 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.140 -2.520 -20.870 1.00 0.00 C ATOM 0 H VAL A 24 16.109 -0.684 -20.766 1.00 0.00 H new ATOM 0 HA VAL A 24 14.963 -1.310 -18.311 1.00 0.00 H new ATOM 0 HB VAL A 24 13.111 -1.176 -19.311 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.902 0.058 -21.423 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.983 0.750 -20.191 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.666 -0.094 -21.601 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.269 -2.143 -21.406 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.845 -2.952 -21.580 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.826 -3.285 -20.160 1.00 0.00 H new ATOM 381 N HIS A 25 15.792 -3.833 -20.201 1.00 0.00 N ATOM 382 CA HIS A 25 15.927 -5.272 -20.247 1.00 0.00 C ATOM 383 C HIS A 25 16.831 -5.806 -19.131 1.00 0.00 C ATOM 384 O HIS A 25 17.090 -7.007 -19.063 1.00 0.00 O ATOM 385 CB HIS A 25 16.318 -5.711 -21.658 1.00 0.00 C ATOM 386 CG HIS A 25 17.790 -5.702 -21.972 1.00 0.00 C ATOM 387 ND1 HIS A 25 18.407 -6.549 -22.894 1.00 0.00 N ATOM 388 CD2 HIS A 25 18.722 -4.875 -21.425 1.00 0.00 C ATOM 389 CE1 HIS A 25 19.705 -6.209 -22.873 1.00 0.00 C ATOM 390 NE2 HIS A 25 19.926 -5.220 -21.991 1.00 0.00 N ATOM 0 H HIS A 25 16.232 -3.342 -20.979 1.00 0.00 H new ATOM 0 HA HIS A 25 14.962 -5.733 -20.038 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.939 -6.720 -21.820 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.811 -5.062 -22.372 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.550 -4.101 -20.692 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.469 -6.668 -23.483 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.830 -4.798 -21.778 1.00 0.00 H new ATOM 398 N CYS A 26 17.310 -4.909 -18.257 1.00 0.00 N ATOM 399 CA CYS A 26 18.033 -5.250 -17.037 1.00 0.00 C ATOM 400 C CYS A 26 17.271 -4.686 -15.838 1.00 0.00 C ATOM 401 O CYS A 26 17.304 -5.258 -14.753 1.00 0.00 O ATOM 402 CB CYS A 26 19.450 -4.678 -17.105 1.00 0.00 C ATOM 403 SG CYS A 26 20.343 -5.441 -18.481 1.00 0.00 S ATOM 0 H CYS A 26 17.199 -3.904 -18.388 1.00 0.00 H new ATOM 0 HA CYS A 26 18.108 -6.332 -16.930 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.411 -3.597 -17.238 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.975 -4.866 -16.168 1.00 0.00 H new ATOM 0 HG CYS A 26 21.352 -4.691 -18.813 1.00 0.00 H new ATOM 409 N TYR A 27 16.578 -3.563 -16.048 1.00 0.00 N ATOM 410 CA TYR A 27 15.626 -2.985 -15.109 1.00 0.00 C ATOM 411 C TYR A 27 14.482 -3.955 -14.846 1.00 0.00 C ATOM 412 O TYR A 27 13.931 -3.976 -13.754 1.00 0.00 O ATOM 413 CB TYR A 27 15.019 -1.759 -15.785 1.00 0.00 C ATOM 414 CG TYR A 27 15.902 -0.547 -15.960 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.145 -0.434 -15.321 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.426 0.491 -16.771 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.899 0.740 -15.478 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.164 1.665 -16.927 1.00 0.00 C ATOM 419 CZ TYR A 27 17.405 1.793 -16.275 1.00 0.00 C ATOM 420 OH TYR A 27 18.126 2.937 -16.411 1.00 0.00 O ATOM 0 H TYR A 27 16.671 -3.018 -16.905 1.00 0.00 H new ATOM 0 HA TYR A 27 16.133 -2.749 -14.173 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.664 -2.060 -16.770 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.144 -1.457 -15.209 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.520 -1.244 -14.713 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.480 0.382 -17.280 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.857 0.836 -14.989 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.786 2.468 -17.542 1.00 0.00 H new ATOM 0 HH TYR A 27 19.004 2.727 -16.793 1.00 0.00 H new ATOM 430 N ASP A 28 14.124 -4.761 -15.849 1.00 0.00 N ATOM 431 CA ASP A 28 13.020 -5.691 -15.751 1.00 0.00 C ATOM 432 C ASP A 28 13.279 -6.725 -14.662 1.00 0.00 C ATOM 433 O ASP A 28 12.333 -7.232 -14.061 1.00 0.00 O ATOM 434 CB ASP A 28 12.806 -6.349 -17.113 1.00 0.00 C ATOM 435 CG ASP A 28 11.533 -7.191 -17.126 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.441 -6.581 -17.161 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.662 -8.436 -17.104 1.00 0.00 O ATOM 0 H ASP A 28 14.600 -4.779 -16.751 1.00 0.00 H new ATOM 0 HA ASP A 28 12.112 -5.157 -15.471 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.745 -5.582 -17.885 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.663 -6.977 -17.355 1.00 0.00 H new ATOM 442 N GLN A 29 14.552 -7.044 -14.394 1.00 0.00 N ATOM 443 CA GLN A 29 14.864 -7.970 -13.325 1.00 0.00 C ATOM 444 C GLN A 29 14.772 -7.313 -11.952 1.00 0.00 C ATOM 445 O GLN A 29 14.778 -8.020 -10.948 1.00 0.00 O ATOM 446 CB GLN A 29 16.247 -8.585 -13.523 1.00 0.00 C ATOM 447 CG GLN A 29 16.251 -9.519 -14.733 1.00 0.00 C ATOM 448 CD GLN A 29 16.763 -8.838 -15.993 1.00 0.00 C ATOM 449 OE1 GLN A 29 17.941 -8.496 -16.085 1.00 0.00 O ATOM 450 NE2 GLN A 29 15.889 -8.629 -16.974 1.00 0.00 N ATOM 0 H GLN A 29 15.360 -6.677 -14.897 1.00 0.00 H new ATOM 0 HA GLN A 29 14.116 -8.762 -13.364 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.985 -7.796 -13.663 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.537 -9.137 -12.629 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.872 -10.388 -14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.240 -9.886 -14.908 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.919 -8.925 -16.865 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.189 -8.172 -17.835 1.00 0.00 H new ATOM 459 N LEU A 30 14.683 -5.981 -11.873 1.00 0.00 N ATOM 460 CA LEU A 30 14.431 -5.317 -10.599 1.00 0.00 C ATOM 461 C LEU A 30 13.035 -5.700 -10.137 1.00 0.00 C ATOM 462 O LEU A 30 12.793 -5.873 -8.947 1.00 0.00 O ATOM 463 CB LEU A 30 14.490 -3.802 -10.777 1.00 0.00 C ATOM 464 CG LEU A 30 15.826 -3.324 -11.324 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.918 -1.807 -11.257 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.991 -3.921 -10.547 1.00 0.00 C ATOM 0 H LEU A 30 14.781 -5.351 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 30 15.183 -5.620 -9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.693 -3.489 -11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.302 -3.321 -9.817 1.00 0.00 H new ATOM 0 HG LEU A 30 15.886 -3.654 -12.361 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.881 -1.483 -11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.116 -1.367 -11.850 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.824 -1.482 -10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.930 -3.559 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.920 -3.624 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.957 -5.008 -10.619 1.00 0.00 H new ATOM 478 N ILE A 31 12.113 -5.832 -11.094 1.00 0.00 N ATOM 479 CA ILE A 31 10.747 -6.196 -10.776 1.00 0.00 C ATOM 480 C ILE A 31 10.650 -7.692 -10.508 1.00 0.00 C ATOM 481 O ILE A 31 9.870 -8.121 -9.675 1.00 0.00 O ATOM 482 CB ILE A 31 9.808 -5.788 -11.919 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.957 -4.315 -12.306 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.407 -5.949 -11.367 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.666 -4.153 -13.640 1.00 0.00 C ATOM 0 H ILE A 31 12.295 -5.691 -12.088 1.00 0.00 H new ATOM 0 HA ILE A 31 10.442 -5.664 -9.875 1.00 0.00 H new ATOM 0 HB ILE A 31 10.029 -6.394 -12.798 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.972 -3.851 -12.359 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.515 -3.790 -11.531 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.681 -5.674 -12.132 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.249 -6.987 -11.073 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.282 -5.302 -10.498 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.752 -3.093 -13.880 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.661 -4.594 -13.579 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.094 -4.656 -14.420 1.00 0.00 H new ATOM 497 N THR A 32 11.424 -8.522 -11.190 1.00 0.00 N ATOM 498 CA THR A 32 11.359 -9.950 -10.904 1.00 0.00 C ATOM 499 C THR A 32 12.124 -10.297 -9.630 1.00 0.00 C ATOM 500 O THR A 32 11.792 -11.280 -8.970 1.00 0.00 O ATOM 501 CB THR A 32 11.952 -10.687 -12.107 1.00 0.00 C ATOM 502 OG1 THR A 32 11.083 -10.545 -13.210 1.00 0.00 O ATOM 503 CG2 THR A 32 12.190 -12.173 -11.853 1.00 0.00 C ATOM 0 H THR A 32 12.082 -8.248 -11.920 1.00 0.00 H new ATOM 0 HA THR A 32 10.324 -10.250 -10.741 1.00 0.00 H new ATOM 0 HB THR A 32 12.925 -10.237 -12.303 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.458 -11.014 -13.985 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.611 -12.632 -12.747 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.885 -12.293 -11.022 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.244 -12.656 -11.608 1.00 0.00 H new ATOM 511 N ALA A 33 13.141 -9.512 -9.263 1.00 0.00 N ATOM 512 CA ALA A 33 13.882 -9.763 -8.042 1.00 0.00 C ATOM 513 C ALA A 33 13.148 -9.140 -6.863 1.00 0.00 C ATOM 514 O ALA A 33 13.268 -9.607 -5.731 1.00 0.00 O ATOM 515 CB ALA A 33 15.278 -9.150 -8.147 1.00 0.00 C ATOM 0 H ALA A 33 13.462 -8.704 -9.796 1.00 0.00 H new ATOM 0 HA ALA A 33 13.969 -10.839 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.830 -9.342 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.809 -9.596 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.192 -8.074 -8.301 1.00 0.00 H new ATOM 521 N GLN A 34 12.385 -8.080 -7.142 1.00 0.00 N ATOM 522 CA GLN A 34 11.613 -7.359 -6.157 1.00 0.00 C ATOM 523 C GLN A 34 10.334 -6.831 -6.797 1.00 0.00 C ATOM 524 O GLN A 34 10.175 -5.644 -7.060 1.00 0.00 O ATOM 525 CB GLN A 34 12.501 -6.233 -5.665 1.00 0.00 C ATOM 526 CG GLN A 34 12.376 -5.928 -4.179 1.00 0.00 C ATOM 527 CD GLN A 34 13.434 -4.880 -3.874 1.00 0.00 C ATOM 528 OE1 GLN A 34 13.179 -3.881 -3.206 1.00 0.00 O ATOM 529 NE2 GLN A 34 14.636 -5.124 -4.387 1.00 0.00 N ATOM 0 H GLN A 34 12.293 -7.700 -8.084 1.00 0.00 H new ATOM 0 HA GLN A 34 11.311 -7.992 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.539 -6.484 -5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.266 -5.330 -6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.379 -5.557 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.534 -6.826 -3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.795 -5.970 -4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.400 -4.466 -4.233 1.00 0.00 H new ATOM 538 N PRO A 35 9.402 -7.742 -7.057 1.00 0.00 N ATOM 539 CA PRO A 35 8.147 -7.453 -7.735 1.00 0.00 C ATOM 540 C PRO A 35 7.252 -6.606 -6.859 1.00 0.00 C ATOM 541 O PRO A 35 6.199 -6.124 -7.277 1.00 0.00 O ATOM 542 CB PRO A 35 7.565 -8.817 -8.057 1.00 0.00 C ATOM 543 CG PRO A 35 8.333 -9.835 -7.218 1.00 0.00 C ATOM 544 CD PRO A 35 9.542 -9.124 -6.663 1.00 0.00 C ATOM 0 HA PRO A 35 8.271 -6.866 -8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.501 -8.848 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.664 -9.038 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.708 -10.221 -6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.633 -10.689 -7.826 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.587 -9.218 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.463 -9.552 -7.059 1.00 0.00 H new ATOM 552 N GLN A 36 7.718 -6.447 -5.630 1.00 0.00 N ATOM 553 CA GLN A 36 7.179 -5.502 -4.671 1.00 0.00 C ATOM 554 C GLN A 36 8.092 -4.292 -4.467 1.00 0.00 C ATOM 555 O GLN A 36 8.306 -3.850 -3.339 1.00 0.00 O ATOM 556 CB GLN A 36 6.840 -6.192 -3.355 1.00 0.00 C ATOM 557 CG GLN A 36 5.920 -7.401 -3.535 1.00 0.00 C ATOM 558 CD GLN A 36 6.655 -8.680 -3.152 1.00 0.00 C ATOM 559 OE1 GLN A 36 6.460 -9.223 -2.069 1.00 0.00 O ATOM 560 NE2 GLN A 36 7.506 -9.171 -4.046 1.00 0.00 N ATOM 0 H GLN A 36 8.502 -6.987 -5.265 1.00 0.00 H new ATOM 0 HA GLN A 36 6.251 -5.112 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.762 -6.513 -2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.362 -5.475 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.029 -7.285 -2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.584 -7.461 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.643 -8.693 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.023 -10.027 -3.842 1.00 0.00 H new ATOM 569 N ASN A 37 8.631 -3.755 -5.562 1.00 0.00 N ATOM 570 CA ASN A 37 9.474 -2.573 -5.527 1.00 0.00 C ATOM 571 C ASN A 37 9.187 -1.679 -6.723 1.00 0.00 C ATOM 572 O ASN A 37 8.892 -2.162 -7.816 1.00 0.00 O ATOM 573 CB ASN A 37 10.940 -2.999 -5.510 1.00 0.00 C ATOM 574 CG ASN A 37 11.637 -2.606 -6.798 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.289 -1.574 -6.878 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.490 -3.438 -7.818 1.00 0.00 N ATOM 0 H ASN A 37 8.491 -4.134 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 37 9.258 -2.002 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.447 -2.537 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.007 -4.078 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.930 -3.229 -8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.937 -4.288 -7.707 1.00 0.00 H new ATOM 583 N PRO A 38 9.278 -0.368 -6.504 1.00 0.00 N ATOM 584 CA PRO A 38 8.942 0.627 -7.496 1.00 0.00 C ATOM 585 C PRO A 38 10.085 1.075 -8.400 1.00 0.00 C ATOM 586 O PRO A 38 9.812 1.259 -9.582 1.00 0.00 O ATOM 587 CB PRO A 38 8.472 1.774 -6.643 1.00 0.00 C ATOM 588 CG PRO A 38 9.343 1.720 -5.391 1.00 0.00 C ATOM 589 CD PRO A 38 9.641 0.241 -5.236 1.00 0.00 C ATOM 0 HA PRO A 38 8.219 0.231 -8.209 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.587 2.725 -7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.416 1.673 -6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.256 2.304 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.821 2.119 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.694 0.075 -5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.067 -0.190 -4.416 1.00 0.00 H new ATOM 597 N VAL A 39 11.335 1.260 -7.943 1.00 0.00 N ATOM 598 CA VAL A 39 12.424 1.534 -8.877 1.00 0.00 C ATOM 599 C VAL A 39 12.402 0.576 -10.053 1.00 0.00 C ATOM 600 O VAL A 39 12.786 0.914 -11.171 1.00 0.00 O ATOM 601 CB VAL A 39 13.790 1.509 -8.196 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.834 1.338 -6.689 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.825 0.637 -8.898 1.00 0.00 C ATOM 0 H VAL A 39 11.606 1.225 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 39 12.261 2.544 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 39 14.081 2.551 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.871 1.340 -6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.297 2.159 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.366 0.392 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.766 0.676 -8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.469 -0.392 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.982 1.003 -9.913 1.00 0.00 H new ATOM 613 N GLY A 40 11.933 -0.628 -9.767 1.00 0.00 N ATOM 614 CA GLY A 40 11.722 -1.645 -10.784 1.00 0.00 C ATOM 615 C GLY A 40 10.908 -1.064 -11.931 1.00 0.00 C ATOM 616 O GLY A 40 11.342 -1.088 -13.081 1.00 0.00 O ATOM 0 H GLY A 40 11.688 -0.928 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.681 -2.008 -11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.202 -2.501 -10.354 1.00 0.00 H new ATOM 620 N TYR A 41 9.727 -0.532 -11.624 1.00 0.00 N ATOM 621 CA TYR A 41 8.860 0.086 -12.600 1.00 0.00 C ATOM 622 C TYR A 41 9.407 1.445 -13.008 1.00 0.00 C ATOM 623 O TYR A 41 9.192 1.877 -14.131 1.00 0.00 O ATOM 624 CB TYR A 41 7.508 0.275 -11.924 1.00 0.00 C ATOM 625 CG TYR A 41 6.854 -1.020 -11.525 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.174 -1.788 -12.477 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.944 -1.450 -10.198 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.579 -3.002 -12.102 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.357 -2.663 -9.812 1.00 0.00 C ATOM 630 CZ TYR A 41 5.673 -3.446 -10.767 1.00 0.00 C ATOM 631 OH TYR A 41 5.102 -4.623 -10.397 1.00 0.00 O ATOM 0 H TYR A 41 9.349 -0.523 -10.677 1.00 0.00 H new ATOM 0 HA TYR A 41 8.784 -0.533 -13.494 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.637 0.897 -11.038 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.845 0.816 -12.599 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.107 -1.446 -13.499 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.466 -0.847 -9.470 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.050 -3.595 -12.834 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.428 -2.997 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 41 4.551 -4.483 -9.599 1.00 0.00 H new ATOM 641 N SER A 42 10.117 2.125 -12.102 1.00 0.00 N ATOM 642 CA SER A 42 10.505 3.515 -12.292 1.00 0.00 C ATOM 643 C SER A 42 11.623 3.645 -13.316 1.00 0.00 C ATOM 644 O SER A 42 11.667 4.622 -14.060 1.00 0.00 O ATOM 645 CB SER A 42 10.966 4.123 -10.964 1.00 0.00 C ATOM 646 OG SER A 42 10.049 3.828 -9.941 1.00 0.00 O ATOM 0 H SER A 42 10.435 1.723 -11.220 1.00 0.00 H new ATOM 0 HA SER A 42 9.631 4.052 -12.661 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.950 3.734 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.068 5.203 -11.068 1.00 0.00 H new ATOM 0 HG SER A 42 9.739 2.903 -10.037 1.00 0.00 H new ATOM 652 N ASN A 43 12.527 2.666 -13.364 1.00 0.00 N ATOM 653 CA ASN A 43 13.629 2.696 -14.308 1.00 0.00 C ATOM 654 C ASN A 43 13.127 2.251 -15.678 1.00 0.00 C ATOM 655 O ASN A 43 13.381 2.911 -16.685 1.00 0.00 O ATOM 656 CB ASN A 43 14.725 1.757 -13.802 1.00 0.00 C ATOM 657 CG ASN A 43 15.366 2.221 -12.502 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.787 2.978 -11.731 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.585 1.757 -12.253 1.00 0.00 N ATOM 0 H ASN A 43 12.512 1.846 -12.758 1.00 0.00 H new ATOM 0 HA ASN A 43 14.034 3.704 -14.399 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.302 0.763 -13.655 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.497 1.666 -14.567 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.069 2.029 -11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.037 1.128 -12.917 1.00 0.00 H new ATOM 666 N LYS A 44 12.409 1.123 -15.715 1.00 0.00 N ATOM 667 CA LYS A 44 11.763 0.596 -16.911 1.00 0.00 C ATOM 668 C LYS A 44 10.799 1.641 -17.475 1.00 0.00 C ATOM 669 O LYS A 44 10.585 1.682 -18.682 1.00 0.00 O ATOM 670 CB LYS A 44 11.045 -0.687 -16.496 1.00 0.00 C ATOM 671 CG LYS A 44 10.324 -1.358 -17.668 1.00 0.00 C ATOM 672 CD LYS A 44 9.746 -2.696 -17.202 1.00 0.00 C ATOM 673 CE LYS A 44 9.045 -3.396 -18.367 1.00 0.00 C ATOM 674 NZ LYS A 44 8.511 -4.710 -17.956 1.00 0.00 N ATOM 0 H LYS A 44 12.260 0.541 -14.891 1.00 0.00 H new ATOM 0 HA LYS A 44 12.480 0.372 -17.701 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.768 -1.383 -16.071 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.323 -0.459 -15.712 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.527 -0.713 -18.038 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.017 -1.515 -18.495 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.543 -3.330 -16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.041 -2.533 -16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.233 -2.769 -18.736 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.746 -3.527 -19.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.886 -5.079 -18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.298 -5.373 -17.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.973 -4.605 -17.072 1.00 0.00 H new ATOM 688 N ALA A 45 10.221 2.486 -16.618 1.00 0.00 N ATOM 689 CA ALA A 45 9.273 3.503 -17.051 1.00 0.00 C ATOM 690 C ALA A 45 9.958 4.679 -17.737 1.00 0.00 C ATOM 691 O ALA A 45 9.557 5.068 -18.831 1.00 0.00 O ATOM 692 CB ALA A 45 8.499 4.040 -15.849 1.00 0.00 C ATOM 0 H ALA A 45 10.398 2.481 -15.613 1.00 0.00 H new ATOM 0 HA ALA A 45 8.604 3.024 -17.766 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.792 4.800 -16.182 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.956 3.224 -15.372 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.195 4.480 -15.135 1.00 0.00 H new ATOM 698 N MET A 46 10.992 5.255 -17.109 1.00 0.00 N ATOM 699 CA MET A 46 11.660 6.417 -17.678 1.00 0.00 C ATOM 700 C MET A 46 12.256 6.098 -19.045 1.00 0.00 C ATOM 701 O MET A 46 12.345 6.969 -19.908 1.00 0.00 O ATOM 702 CB MET A 46 12.749 6.889 -16.727 1.00 0.00 C ATOM 703 CG MET A 46 13.351 8.236 -17.149 1.00 0.00 C ATOM 704 SD MET A 46 12.278 9.694 -17.002 1.00 0.00 S ATOM 705 CE MET A 46 11.410 9.693 -18.594 1.00 0.00 C ATOM 0 H MET A 46 11.375 4.936 -16.219 1.00 0.00 H new ATOM 0 HA MET A 46 10.923 7.209 -17.814 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.337 6.977 -15.722 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.539 6.139 -16.683 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.245 8.411 -16.551 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.673 8.154 -18.187 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.161 10.717 -18.873 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.052 9.255 -19.358 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.495 9.107 -18.509 1.00 0.00 H new ATOM 715 N ALA A 47 12.665 4.843 -19.248 1.00 0.00 N ATOM 716 CA ALA A 47 13.201 4.412 -20.524 1.00 0.00 C ATOM 717 C ALA A 47 12.100 4.325 -21.579 1.00 0.00 C ATOM 718 O ALA A 47 12.350 4.624 -22.742 1.00 0.00 O ATOM 719 CB ALA A 47 13.855 3.052 -20.324 1.00 0.00 C ATOM 0 H ALA A 47 12.631 4.112 -18.537 1.00 0.00 H new ATOM 0 HA ALA A 47 13.934 5.136 -20.880 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.267 2.704 -21.271 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.656 3.138 -19.589 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.111 2.339 -19.968 1.00 0.00 H new ATOM 725 N LEU A 48 10.883 3.926 -21.189 1.00 0.00 N ATOM 726 CA LEU A 48 9.774 3.830 -22.130 1.00 0.00 C ATOM 727 C LEU A 48 9.413 5.196 -22.698 1.00 0.00 C ATOM 728 O LEU A 48 8.907 5.271 -23.812 1.00 0.00 O ATOM 729 CB LEU A 48 8.558 3.199 -21.454 1.00 0.00 C ATOM 730 CG LEU A 48 8.745 1.695 -21.242 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.633 1.183 -20.333 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.705 0.928 -22.558 1.00 0.00 C ATOM 0 H LEU A 48 10.648 3.667 -20.231 1.00 0.00 H new ATOM 0 HA LEU A 48 10.089 3.194 -22.957 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.384 3.683 -20.493 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.671 3.373 -22.064 1.00 0.00 H new ATOM 0 HG LEU A 48 9.724 1.535 -20.789 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.756 0.112 -20.175 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.680 1.699 -19.374 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.666 1.372 -20.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.842 -0.136 -22.363 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.742 1.088 -23.043 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.503 1.283 -23.210 1.00 0.00 H new ATOM 744 N ILE A 49 9.663 6.283 -21.962 1.00 0.00 N ATOM 745 CA ILE A 49 9.439 7.621 -22.495 1.00 0.00 C ATOM 746 C ILE A 49 10.475 7.900 -23.570 1.00 0.00 C ATOM 747 O ILE A 49 10.139 8.375 -24.651 1.00 0.00 O ATOM 748 CB ILE A 49 9.598 8.637 -21.356 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.312 8.812 -20.545 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.001 10.005 -21.909 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.042 7.637 -19.614 1.00 0.00 C ATOM 0 H ILE A 49 10.017 6.259 -21.006 1.00 0.00 H new ATOM 0 HA ILE A 49 8.439 7.698 -22.921 1.00 0.00 H new ATOM 0 HB ILE A 49 10.374 8.241 -20.701 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.379 9.728 -19.958 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.470 8.931 -21.227 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.109 10.712 -21.087 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.949 9.918 -22.440 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.232 10.361 -22.595 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.118 7.814 -19.063 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.946 6.723 -20.200 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.869 7.532 -18.911 1.00 0.00 H new ATOM 763 N LYS A 50 11.738 7.602 -23.265 1.00 0.00 N ATOM 764 CA LYS A 50 12.827 7.735 -24.206 1.00 0.00 C ATOM 765 C LYS A 50 12.701 6.756 -25.380 1.00 0.00 C ATOM 766 O LYS A 50 13.455 6.855 -26.347 1.00 0.00 O ATOM 767 CB LYS A 50 14.117 7.530 -23.425 1.00 0.00 C ATOM 768 CG LYS A 50 14.920 8.827 -23.401 1.00 0.00 C ATOM 769 CD LYS A 50 14.221 9.906 -22.580 1.00 0.00 C ATOM 770 CE LYS A 50 14.323 9.580 -21.096 1.00 0.00 C ATOM 771 NZ LYS A 50 14.150 10.797 -20.275 1.00 0.00 N ATOM 0 H LYS A 50 12.026 7.260 -22.348 1.00 0.00 H new ATOM 0 HA LYS A 50 12.813 8.725 -24.662 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.890 7.214 -22.407 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.707 6.735 -23.882 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.909 8.636 -22.984 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.067 9.183 -24.421 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.674 10.877 -22.779 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.174 9.977 -22.874 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.564 8.845 -20.828 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.292 9.129 -20.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.224 10.549 -19.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.890 11.487 -20.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.215 11.212 -20.462 1.00 0.00 H new ATOM 785 N LEU A 51 11.752 5.813 -25.303 1.00 0.00 N ATOM 786 CA LEU A 51 11.420 4.888 -26.369 1.00 0.00 C ATOM 787 C LEU A 51 10.097 5.328 -27.002 1.00 0.00 C ATOM 788 O LEU A 51 9.713 4.832 -28.059 1.00 0.00 O ATOM 789 CB LEU A 51 11.288 3.483 -25.772 1.00 0.00 C ATOM 790 CG LEU A 51 12.637 2.888 -25.351 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.397 1.640 -24.504 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.476 2.484 -26.562 1.00 0.00 C ATOM 0 H LEU A 51 11.183 5.678 -24.467 1.00 0.00 H new ATOM 0 HA LEU A 51 12.196 4.879 -27.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.627 3.522 -24.906 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.818 2.825 -26.503 1.00 0.00 H new ATOM 0 HG LEU A 51 13.174 3.651 -24.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.354 1.215 -24.203 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.824 1.907 -23.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.841 0.906 -25.087 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.425 2.067 -26.224 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.938 1.737 -27.145 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.665 3.360 -27.182 1.00 0.00 H new ATOM 804 N GLY A 52 9.411 6.268 -26.344 1.00 0.00 N ATOM 805 CA GLY A 52 8.141 6.834 -26.768 1.00 0.00 C ATOM 806 C GLY A 52 6.998 5.837 -26.617 1.00 0.00 C ATOM 807 O GLY A 52 5.921 6.013 -27.181 1.00 0.00 O ATOM 0 H GLY A 52 9.745 6.667 -25.467 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.926 7.726 -26.179 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.213 7.149 -27.809 1.00 0.00 H new ATOM 811 N GLU A 53 7.254 4.782 -25.844 1.00 0.00 N ATOM 812 CA GLU A 53 6.307 3.751 -25.467 1.00 0.00 C ATOM 813 C GLU A 53 5.591 4.197 -24.215 1.00 0.00 C ATOM 814 O GLU A 53 5.375 3.438 -23.273 1.00 0.00 O ATOM 815 CB GLU A 53 7.055 2.429 -25.311 1.00 0.00 C ATOM 816 CG GLU A 53 7.702 2.031 -26.638 1.00 0.00 C ATOM 817 CD GLU A 53 6.671 1.474 -27.615 1.00 0.00 C ATOM 818 OE1 GLU A 53 6.385 0.259 -27.531 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.171 2.266 -28.446 1.00 0.00 O ATOM 0 H GLU A 53 8.179 4.622 -25.446 1.00 0.00 H new ATOM 0 HA GLU A 53 5.546 3.591 -26.231 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.819 2.523 -24.539 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.367 1.649 -24.985 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.193 2.898 -27.080 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.475 1.284 -26.458 1.00 0.00 H new ATOM 826 N TYR A 54 5.230 5.474 -24.251 1.00 0.00 N ATOM 827 CA TYR A 54 4.471 6.150 -23.239 1.00 0.00 C ATOM 828 C TYR A 54 3.277 5.321 -22.787 1.00 0.00 C ATOM 829 O TYR A 54 2.944 5.318 -21.609 1.00 0.00 O ATOM 830 CB TYR A 54 3.950 7.423 -23.875 1.00 0.00 C ATOM 831 CG TYR A 54 4.965 8.338 -24.529 1.00 0.00 C ATOM 832 CD1 TYR A 54 5.979 8.927 -23.765 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.891 8.595 -25.910 1.00 0.00 C ATOM 834 CE1 TYR A 54 6.899 9.796 -24.368 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.817 9.450 -26.521 1.00 0.00 C ATOM 836 CZ TYR A 54 6.825 10.061 -25.751 1.00 0.00 C ATOM 837 OH TYR A 54 7.721 10.900 -26.337 1.00 0.00 O ATOM 0 H TYR A 54 5.477 6.084 -25.030 1.00 0.00 H new ATOM 0 HA TYR A 54 5.100 6.335 -22.369 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.211 7.147 -24.627 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.426 7.994 -23.108 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.053 8.712 -22.709 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.116 8.131 -26.502 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.667 10.264 -23.771 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.758 9.641 -27.582 1.00 0.00 H new ATOM 0 HH TYR A 54 7.526 10.969 -27.295 1.00 0.00 H new ATOM 847 N THR A 55 2.620 4.615 -23.713 1.00 0.00 N ATOM 848 CA THR A 55 1.422 3.866 -23.372 1.00 0.00 C ATOM 849 C THR A 55 1.713 2.896 -22.239 1.00 0.00 C ATOM 850 O THR A 55 0.905 2.720 -21.331 1.00 0.00 O ATOM 851 CB THR A 55 0.930 3.060 -24.573 1.00 0.00 C ATOM 852 OG1 THR A 55 1.141 3.749 -25.785 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.554 2.796 -24.383 1.00 0.00 C ATOM 0 H THR A 55 2.899 4.551 -24.692 1.00 0.00 H new ATOM 0 HA THR A 55 0.658 4.582 -23.069 1.00 0.00 H new ATOM 0 HB THR A 55 1.490 2.126 -24.630 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.816 3.204 -26.532 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.932 2.221 -25.228 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.708 2.233 -23.463 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.087 3.745 -24.322 1.00 0.00 H new ATOM 861 N GLN A 56 2.888 2.271 -22.312 1.00 0.00 N ATOM 862 CA GLN A 56 3.335 1.310 -21.325 1.00 0.00 C ATOM 863 C GLN A 56 3.909 2.034 -20.115 1.00 0.00 C ATOM 864 O GLN A 56 3.726 1.606 -18.978 1.00 0.00 O ATOM 865 CB GLN A 56 4.417 0.448 -21.974 1.00 0.00 C ATOM 866 CG GLN A 56 3.926 -0.199 -23.270 1.00 0.00 C ATOM 867 CD GLN A 56 2.638 -0.976 -23.062 1.00 0.00 C ATOM 868 OE1 GLN A 56 2.647 -2.149 -22.703 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.511 -0.311 -23.293 1.00 0.00 N ATOM 0 H GLN A 56 3.556 2.424 -23.067 1.00 0.00 H new ATOM 0 HA GLN A 56 2.501 0.693 -20.991 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.293 1.061 -22.183 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.730 -0.328 -21.276 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.767 0.572 -24.023 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.695 -0.868 -23.656 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.546 0.664 -23.590 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.611 -0.776 -23.173 1.00 0.00 H new ATOM 878 N ALA A 57 4.603 3.144 -20.365 1.00 0.00 N ATOM 879 CA ALA A 57 5.173 3.976 -19.325 1.00 0.00 C ATOM 880 C ALA A 57 4.125 4.447 -18.322 1.00 0.00 C ATOM 881 O ALA A 57 4.387 4.480 -17.121 1.00 0.00 O ATOM 882 CB ALA A 57 5.800 5.188 -20.002 1.00 0.00 C ATOM 0 H ALA A 57 4.783 3.488 -21.308 1.00 0.00 H new ATOM 0 HA ALA A 57 5.908 3.393 -18.770 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.241 5.839 -19.247 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.575 4.858 -20.694 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.033 5.735 -20.551 1.00 0.00 H new ATOM 888 N ILE A 58 2.937 4.814 -18.813 1.00 0.00 N ATOM 889 CA ILE A 58 1.843 5.266 -17.969 1.00 0.00 C ATOM 890 C ILE A 58 1.467 4.150 -17.004 1.00 0.00 C ATOM 891 O ILE A 58 1.143 4.425 -15.849 1.00 0.00 O ATOM 892 CB ILE A 58 0.655 5.639 -18.858 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.033 6.798 -19.782 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.581 6.061 -18.062 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.184 6.734 -21.051 1.00 0.00 C ATOM 0 H ILE A 58 2.714 4.804 -19.808 1.00 0.00 H new ATOM 0 HA ILE A 58 2.139 6.142 -17.391 1.00 0.00 H new ATOM 0 HB ILE A 58 0.410 4.740 -19.424 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.875 7.749 -19.273 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.092 6.744 -20.036 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.388 6.313 -18.750 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.896 5.241 -17.417 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.341 6.931 -17.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.452 7.559 -21.710 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.364 5.788 -21.562 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.871 6.809 -20.787 1.00 0.00 H new ATOM 907 N GLN A 59 1.513 2.897 -17.470 1.00 0.00 N ATOM 908 CA GLN A 59 1.194 1.755 -16.643 1.00 0.00 C ATOM 909 C GLN A 59 2.284 1.513 -15.607 1.00 0.00 C ATOM 910 O GLN A 59 1.987 1.127 -14.481 1.00 0.00 O ATOM 911 CB GLN A 59 1.062 0.527 -17.533 1.00 0.00 C ATOM 912 CG GLN A 59 0.053 0.705 -18.657 1.00 0.00 C ATOM 913 CD GLN A 59 -1.214 1.384 -18.176 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.886 0.908 -17.266 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.543 2.512 -18.789 1.00 0.00 N ATOM 0 H GLN A 59 1.772 2.659 -18.427 1.00 0.00 H new ATOM 0 HA GLN A 59 0.258 1.948 -16.118 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.036 0.291 -17.962 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.768 -0.326 -16.922 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.500 1.296 -19.457 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.195 -0.268 -19.080 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.957 2.873 -19.541 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.383 3.019 -18.509 1.00 0.00 H new ATOM 924 N MET A 60 3.549 1.736 -15.979 1.00 0.00 N ATOM 925 CA MET A 60 4.667 1.531 -15.062 1.00 0.00 C ATOM 926 C MET A 60 4.665 2.578 -13.952 1.00 0.00 C ATOM 927 O MET A 60 4.887 2.241 -12.790 1.00 0.00 O ATOM 928 CB MET A 60 6.003 1.640 -15.807 1.00 0.00 C ATOM 929 CG MET A 60 6.232 0.647 -16.943 1.00 0.00 C ATOM 930 SD MET A 60 6.044 -1.105 -16.540 1.00 0.00 S ATOM 931 CE MET A 60 4.292 -1.276 -16.948 1.00 0.00 C ATOM 0 H MET A 60 3.820 2.058 -16.908 1.00 0.00 H new ATOM 0 HA MET A 60 4.551 0.535 -14.634 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.086 2.648 -16.213 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.808 1.521 -15.082 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.539 0.887 -17.749 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.239 0.801 -17.331 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.069 -2.321 -17.164 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.688 -0.943 -16.104 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.061 -0.668 -17.823 1.00 0.00 H new ATOM 941 N CYS A 61 4.418 3.846 -14.295 1.00 0.00 N ATOM 942 CA CYS A 61 4.511 4.913 -13.316 1.00 0.00 C ATOM 943 C CYS A 61 3.427 4.721 -12.250 1.00 0.00 C ATOM 944 O CYS A 61 3.721 4.715 -11.061 1.00 0.00 O ATOM 945 CB CYS A 61 4.388 6.264 -14.017 1.00 0.00 C ATOM 946 SG CYS A 61 5.770 6.453 -15.168 1.00 0.00 S ATOM 0 H CYS A 61 4.156 4.148 -15.233 1.00 0.00 H new ATOM 0 HA CYS A 61 5.480 4.886 -12.818 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.440 6.326 -14.552 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.394 7.071 -13.284 1.00 0.00 H new ATOM 0 HG CYS A 61 5.552 5.734 -16.229 1.00 0.00 H new ATOM 952 N GLN A 62 2.168 4.559 -12.649 1.00 0.00 N ATOM 953 CA GLN A 62 1.106 4.291 -11.687 1.00 0.00 C ATOM 954 C GLN A 62 1.285 2.992 -10.888 1.00 0.00 C ATOM 955 O GLN A 62 0.796 2.913 -9.766 1.00 0.00 O ATOM 956 CB GLN A 62 -0.253 4.347 -12.380 1.00 0.00 C ATOM 957 CG GLN A 62 -0.386 3.355 -13.532 1.00 0.00 C ATOM 958 CD GLN A 62 -1.333 2.220 -13.172 1.00 0.00 C ATOM 959 OE1 GLN A 62 -2.532 2.293 -13.422 1.00 0.00 O ATOM 960 NE2 GLN A 62 -0.796 1.157 -12.581 1.00 0.00 N ATOM 0 H GLN A 62 1.862 4.608 -13.621 1.00 0.00 H new ATOM 0 HA GLN A 62 1.163 5.081 -10.938 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.035 4.149 -11.647 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.419 5.356 -12.758 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.753 3.871 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.594 2.949 -13.781 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.205 1.132 -12.389 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.385 0.367 -12.320 1.00 0.00 H new ATOM 969 N GLN A 63 1.973 1.976 -11.427 1.00 0.00 N ATOM 970 CA GLN A 63 2.293 0.753 -10.699 1.00 0.00 C ATOM 971 C GLN A 63 3.231 1.040 -9.538 1.00 0.00 C ATOM 972 O GLN A 63 2.984 0.557 -8.444 1.00 0.00 O ATOM 973 CB GLN A 63 2.993 -0.214 -11.654 1.00 0.00 C ATOM 974 CG GLN A 63 2.297 -1.567 -11.769 1.00 0.00 C ATOM 975 CD GLN A 63 0.870 -1.458 -12.293 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.079 -1.403 -11.520 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.708 -1.430 -13.612 1.00 0.00 N ATOM 0 H GLN A 63 2.322 1.985 -12.385 1.00 0.00 H new ATOM 0 HA GLN A 63 1.368 0.327 -10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.050 0.242 -12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.017 -0.369 -11.315 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.874 -2.211 -12.432 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.284 -2.047 -10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.521 -1.478 -14.227 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.229 -1.361 -14.009 1.00 0.00 H new ATOM 986 N GLY A 64 4.298 1.817 -9.746 1.00 0.00 N ATOM 987 CA GLY A 64 5.226 2.123 -8.674 1.00 0.00 C ATOM 988 C GLY A 64 4.520 2.589 -7.399 1.00 0.00 C ATOM 989 O GLY A 64 4.984 2.300 -6.299 1.00 0.00 O ATOM 0 H GLY A 64 4.533 2.239 -10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.823 1.238 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.916 2.898 -9.006 1.00 0.00 H new ATOM 993 N LEU A 65 3.396 3.303 -7.531 1.00 0.00 N ATOM 994 CA LEU A 65 2.657 3.868 -6.401 1.00 0.00 C ATOM 995 C LEU A 65 1.961 2.809 -5.554 1.00 0.00 C ATOM 996 O LEU A 65 1.374 3.126 -4.520 1.00 0.00 O ATOM 997 CB LEU A 65 1.619 4.857 -6.931 1.00 0.00 C ATOM 998 CG LEU A 65 2.334 5.993 -7.654 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.344 6.748 -8.529 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.972 6.940 -6.639 1.00 0.00 C ATOM 0 H LEU A 65 2.971 3.506 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 65 3.380 4.366 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.932 4.353 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.022 5.252 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 65 3.120 5.578 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.859 7.559 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.914 6.067 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.549 7.160 -7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.480 7.748 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.198 7.357 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.693 6.392 -6.033 1.00 0.00 H new ATOM 1012 N ARG A 66 2.021 1.550 -5.985 1.00 0.00 N ATOM 1013 CA ARG A 66 1.435 0.417 -5.297 1.00 0.00 C ATOM 1014 C ARG A 66 2.426 -0.078 -4.257 1.00 0.00 C ATOM 1015 O ARG A 66 2.086 -0.844 -3.353 1.00 0.00 O ATOM 1016 CB ARG A 66 1.229 -0.638 -6.374 1.00 0.00 C ATOM 1017 CG ARG A 66 0.186 -0.144 -7.369 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.027 -1.220 -8.413 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.693 -2.399 -7.845 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.282 -3.360 -8.562 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.314 -3.302 -9.890 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.846 -4.393 -7.948 1.00 0.00 N ATOM 0 H ARG A 66 2.495 1.290 -6.850 1.00 0.00 H new ATOM 0 HA ARG A 66 0.500 0.658 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.170 -0.840 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.903 -1.576 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.750 0.079 -6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.519 0.781 -7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.627 -0.821 -9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.934 -1.513 -8.836 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.707 -2.491 -6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.885 -2.515 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.768 -4.044 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.829 -4.452 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.296 -5.127 -8.494 1.00 0.00 H new ATOM 1036 N TYR A 67 3.660 0.384 -4.422 1.00 0.00 N ATOM 1037 CA TYR A 67 4.811 -0.011 -3.636 1.00 0.00 C ATOM 1038 C TYR A 67 5.409 1.112 -2.785 1.00 0.00 C ATOM 1039 O TYR A 67 6.171 0.821 -1.868 1.00 0.00 O ATOM 1040 CB TYR A 67 5.806 -0.528 -4.667 1.00 0.00 C ATOM 1041 CG TYR A 67 5.173 -1.601 -5.521 1.00 0.00 C ATOM 1042 CD1 TYR A 67 5.059 -2.918 -5.059 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.657 -1.248 -6.771 1.00 0.00 C ATOM 1044 CE1 TYR A 67 4.435 -3.886 -5.863 1.00 0.00 C ATOM 1045 CE2 TYR A 67 4.033 -2.199 -7.582 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.916 -3.529 -7.126 1.00 0.00 C ATOM 1047 OH TYR A 67 3.303 -4.468 -7.898 1.00 0.00 O ATOM 0 H TYR A 67 3.890 1.073 -5.138 1.00 0.00 H new ATOM 0 HA TYR A 67 4.532 -0.758 -2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.145 0.294 -5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.686 -0.928 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.449 -3.188 -4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.742 -0.227 -7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.352 -4.905 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.644 -1.919 -8.550 1.00 0.00 H new ATOM 0 HH TYR A 67 2.798 -4.026 -8.612 1.00 0.00 H new ATOM 1057 N THR A 68 5.081 2.380 -3.060 1.00 0.00 N ATOM 1058 CA THR A 68 5.595 3.510 -2.281 1.00 0.00 C ATOM 1059 C THR A 68 4.828 3.697 -0.973 1.00 0.00 C ATOM 1060 O THR A 68 4.745 4.810 -0.457 1.00 0.00 O ATOM 1061 CB THR A 68 5.556 4.807 -3.095 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.233 5.099 -3.484 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.419 4.687 -4.345 1.00 0.00 C ATOM 0 H THR A 68 4.458 2.649 -3.821 1.00 0.00 H new ATOM 0 HA THR A 68 6.631 3.276 -2.037 1.00 0.00 H new ATOM 0 HB THR A 68 5.943 5.608 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.754 5.510 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.376 5.620 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.450 4.484 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.049 3.871 -4.966 1.00 0.00 H new ATOM 1071 N SER A 69 4.265 2.613 -0.426 1.00 0.00 N ATOM 1072 CA SER A 69 3.481 2.619 0.804 1.00 0.00 C ATOM 1073 C SER A 69 4.285 3.041 2.038 1.00 0.00 C ATOM 1074 O SER A 69 3.757 3.050 3.148 1.00 0.00 O ATOM 1075 CB SER A 69 2.926 1.220 1.035 1.00 0.00 C ATOM 1076 OG SER A 69 2.057 0.867 -0.022 1.00 0.00 O ATOM 0 H SER A 69 4.347 1.685 -0.842 1.00 0.00 H new ATOM 0 HA SER A 69 2.688 3.355 0.675 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.743 0.502 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.392 1.183 1.984 1.00 0.00 H new ATOM 0 HG SER A 69 1.705 -0.034 0.131 1.00 0.00 H new ATOM 1082 N THR A 70 5.558 3.389 1.851 1.00 0.00 N ATOM 1083 CA THR A 70 6.457 3.782 2.929 1.00 0.00 C ATOM 1084 C THR A 70 7.385 4.913 2.477 1.00 0.00 C ATOM 1085 O THR A 70 7.662 5.061 1.285 1.00 0.00 O ATOM 1086 CB THR A 70 7.252 2.555 3.390 1.00 0.00 C ATOM 1087 OG1 THR A 70 8.295 2.954 4.246 1.00 0.00 O ATOM 1088 CG2 THR A 70 7.835 1.792 2.200 1.00 0.00 C ATOM 0 H THR A 70 5.998 3.405 0.931 1.00 0.00 H new ATOM 0 HA THR A 70 5.876 4.161 3.769 1.00 0.00 H new ATOM 0 HB THR A 70 6.569 1.893 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.798 2.165 4.538 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.393 0.928 2.560 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.026 1.457 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.502 2.447 1.640 1.00 0.00 H new ATOM 1096 N ALA A 71 7.860 5.717 3.435 1.00 0.00 N ATOM 1097 CA ALA A 71 8.659 6.905 3.158 1.00 0.00 C ATOM 1098 C ALA A 71 10.093 6.586 2.723 1.00 0.00 C ATOM 1099 O ALA A 71 10.846 7.502 2.413 1.00 0.00 O ATOM 1100 CB ALA A 71 8.659 7.818 4.385 1.00 0.00 C ATOM 0 H ALA A 71 7.697 5.556 4.429 1.00 0.00 H new ATOM 0 HA ALA A 71 8.196 7.413 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.256 8.706 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.636 8.115 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.084 7.285 5.235 1.00 0.00 H new ATOM 1106 N GLU A 72 10.501 5.317 2.684 1.00 0.00 N ATOM 1107 CA GLU A 72 11.784 4.973 2.091 1.00 0.00 C ATOM 1108 C GLU A 72 11.725 5.136 0.573 1.00 0.00 C ATOM 1109 O GLU A 72 12.750 5.036 -0.101 1.00 0.00 O ATOM 1110 CB GLU A 72 12.163 3.539 2.446 1.00 0.00 C ATOM 1111 CG GLU A 72 11.100 2.544 2.008 1.00 0.00 C ATOM 1112 CD GLU A 72 11.413 1.145 2.531 1.00 0.00 C ATOM 1113 OE1 GLU A 72 11.122 0.893 3.721 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.939 0.333 1.737 1.00 0.00 O ATOM 0 H GLU A 72 9.970 4.527 3.050 1.00 0.00 H new ATOM 0 HA GLU A 72 12.542 5.647 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.112 3.287 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.312 3.459 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.124 2.863 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.041 2.525 0.920 1.00 0.00 H new ATOM 1121 N HIS A 73 10.524 5.386 0.040 1.00 0.00 N ATOM 1122 CA HIS A 73 10.294 5.502 -1.390 1.00 0.00 C ATOM 1123 C HIS A 73 9.824 6.902 -1.786 1.00 0.00 C ATOM 1124 O HIS A 73 9.351 7.094 -2.905 1.00 0.00 O ATOM 1125 CB HIS A 73 9.285 4.447 -1.846 1.00 0.00 C ATOM 1126 CG HIS A 73 9.747 3.016 -1.748 1.00 0.00 C ATOM 1127 ND1 HIS A 73 8.926 1.905 -1.954 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.006 2.586 -1.455 1.00 0.00 C ATOM 1129 CE1 HIS A 73 9.716 0.833 -1.785 1.00 0.00 C ATOM 1130 NE2 HIS A 73 10.970 1.212 -1.484 1.00 0.00 N ATOM 0 H HIS A 73 9.682 5.513 0.601 1.00 0.00 H new ATOM 0 HA HIS A 73 11.246 5.330 -1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.378 4.558 -1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.015 4.652 -2.882 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.865 3.204 -1.241 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.389 -0.192 -1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 73 11.758 0.589 -1.308 1.00 0.00 H new ATOM 1138 N VAL A 74 9.939 7.894 -0.894 1.00 0.00 N ATOM 1139 CA VAL A 74 9.577 9.265 -1.230 1.00 0.00 C ATOM 1140 C VAL A 74 10.725 9.934 -1.958 1.00 0.00 C ATOM 1141 O VAL A 74 11.407 10.851 -1.499 1.00 0.00 O ATOM 1142 CB VAL A 74 9.026 10.028 -0.044 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.035 10.340 1.059 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.417 11.315 -0.588 1.00 0.00 C ATOM 0 H VAL A 74 10.279 7.768 0.059 1.00 0.00 H new ATOM 0 HA VAL A 74 8.739 9.259 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 74 8.292 9.389 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.540 10.888 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.442 9.409 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.844 10.946 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.006 11.899 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.187 11.896 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.622 11.072 -1.293 1.00 0.00 H new ATOM 1154 N ALA A 75 10.888 9.391 -3.148 1.00 0.00 N ATOM 1155 CA ALA A 75 11.930 9.684 -4.105 1.00 0.00 C ATOM 1156 C ALA A 75 11.424 9.254 -5.470 1.00 0.00 C ATOM 1157 O ALA A 75 11.530 9.946 -6.479 1.00 0.00 O ATOM 1158 CB ALA A 75 13.117 8.787 -3.764 1.00 0.00 C ATOM 0 H ALA A 75 10.245 8.679 -3.495 1.00 0.00 H new ATOM 0 HA ALA A 75 12.202 10.739 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.930 8.977 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.455 9.001 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.815 7.742 -3.833 1.00 0.00 H new ATOM 1164 N ILE A 76 10.861 8.052 -5.422 1.00 0.00 N ATOM 1165 CA ILE A 76 10.252 7.298 -6.485 1.00 0.00 C ATOM 1166 C ILE A 76 8.832 7.770 -6.725 1.00 0.00 C ATOM 1167 O ILE A 76 8.401 7.926 -7.860 1.00 0.00 O ATOM 1168 CB ILE A 76 10.207 5.899 -5.898 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.575 5.253 -6.048 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.094 5.054 -6.476 1.00 0.00 C ATOM 1171 CD1 ILE A 76 11.693 4.558 -7.389 1.00 0.00 C ATOM 0 H ILE A 76 10.822 7.538 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 76 10.784 7.382 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 76 9.970 5.975 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.353 6.011 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.733 4.534 -5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.113 4.065 -6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.134 5.529 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.232 4.958 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.679 4.102 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.928 3.786 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.557 5.286 -8.189 1.00 0.00 H new ATOM 1183 N ARG A 77 8.110 7.998 -5.627 1.00 0.00 N ATOM 1184 CA ARG A 77 6.733 8.463 -5.695 1.00 0.00 C ATOM 1185 C ARG A 77 6.669 9.758 -6.499 1.00 0.00 C ATOM 1186 O ARG A 77 5.676 10.051 -7.159 1.00 0.00 O ATOM 1187 CB ARG A 77 6.196 8.646 -4.280 1.00 0.00 C ATOM 1188 CG ARG A 77 4.687 8.877 -4.330 1.00 0.00 C ATOM 1189 CD ARG A 77 4.271 9.547 -3.027 1.00 0.00 C ATOM 1190 NE ARG A 77 2.826 9.794 -2.985 1.00 0.00 N ATOM 1191 CZ ARG A 77 1.912 8.885 -2.637 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.276 7.650 -2.292 1.00 0.00 N ATOM 1193 NH2 ARG A 77 0.622 9.209 -2.628 1.00 0.00 N ATOM 0 H ARG A 77 8.462 7.866 -4.679 1.00 0.00 H new ATOM 0 HA ARG A 77 6.108 7.728 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.419 7.765 -3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.688 9.492 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.425 9.505 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.161 7.931 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.558 8.917 -2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.805 10.490 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 77 2.496 10.725 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.262 7.390 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.568 6.965 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.331 10.152 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.076 8.515 -2.362 1.00 0.00 H new ATOM 1207 N SER A 78 7.755 10.526 -6.434 1.00 0.00 N ATOM 1208 CA SER A 78 7.929 11.746 -7.200 1.00 0.00 C ATOM 1209 C SER A 78 8.039 11.454 -8.697 1.00 0.00 C ATOM 1210 O SER A 78 7.604 12.261 -9.521 1.00 0.00 O ATOM 1211 CB SER A 78 9.218 12.405 -6.711 1.00 0.00 C ATOM 1212 OG SER A 78 9.361 13.685 -7.281 1.00 0.00 O ATOM 0 H SER A 78 8.551 10.308 -5.834 1.00 0.00 H new ATOM 0 HA SER A 78 7.066 12.397 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.204 12.483 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.074 11.784 -6.975 1.00 0.00 H new ATOM 0 HG SER A 78 10.190 14.096 -6.958 1.00 0.00 H new ATOM 1218 N LYS A 79 8.618 10.307 -9.060 1.00 0.00 N ATOM 1219 CA LYS A 79 8.857 9.949 -10.455 1.00 0.00 C ATOM 1220 C LYS A 79 7.608 9.340 -11.076 1.00 0.00 C ATOM 1221 O LYS A 79 7.288 9.608 -12.229 1.00 0.00 O ATOM 1222 CB LYS A 79 9.990 8.926 -10.496 1.00 0.00 C ATOM 1223 CG LYS A 79 11.239 9.522 -9.851 1.00 0.00 C ATOM 1224 CD LYS A 79 12.410 8.552 -9.930 1.00 0.00 C ATOM 1225 CE LYS A 79 13.593 9.221 -9.246 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.828 8.445 -9.438 1.00 0.00 N ATOM 0 H LYS A 79 8.933 9.602 -8.393 1.00 0.00 H new ATOM 0 HA LYS A 79 9.120 10.844 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.694 8.019 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.201 8.642 -11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.501 10.455 -10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.033 9.765 -8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.164 7.610 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.647 8.318 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.726 10.226 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.388 9.326 -8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.346 8.389 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.589 7.485 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.423 8.911 -10.152 1.00 0.00 H new ATOM 1240 N LEU A 80 6.907 8.518 -10.302 1.00 0.00 N ATOM 1241 CA LEU A 80 5.707 7.821 -10.735 1.00 0.00 C ATOM 1242 C LEU A 80 4.582 8.796 -11.084 1.00 0.00 C ATOM 1243 O LEU A 80 3.569 8.397 -11.644 1.00 0.00 O ATOM 1244 CB LEU A 80 5.271 6.911 -9.594 1.00 0.00 C ATOM 1245 CG LEU A 80 6.080 5.614 -9.432 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.445 5.559 -10.113 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.228 5.338 -7.942 1.00 0.00 C ATOM 0 H LEU A 80 7.165 8.315 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 80 5.923 7.249 -11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.330 7.473 -8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.224 6.648 -9.743 1.00 0.00 H new ATOM 0 HG LEU A 80 5.510 4.846 -9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.909 4.592 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.321 5.694 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.081 6.352 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.799 4.421 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.750 6.170 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.241 5.225 -7.493 1.00 0.00 H new ATOM 1259 N GLN A 81 4.755 10.077 -10.754 1.00 0.00 N ATOM 1260 CA GLN A 81 3.857 11.175 -11.015 1.00 0.00 C ATOM 1261 C GLN A 81 4.339 12.137 -12.095 1.00 0.00 C ATOM 1262 O GLN A 81 3.570 12.980 -12.541 1.00 0.00 O ATOM 1263 CB GLN A 81 3.885 11.944 -9.703 1.00 0.00 C ATOM 1264 CG GLN A 81 2.756 11.583 -8.766 1.00 0.00 C ATOM 1265 CD GLN A 81 2.387 10.116 -8.777 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.336 9.730 -9.278 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.262 9.294 -8.217 1.00 0.00 N ATOM 0 H GLN A 81 5.593 10.384 -10.261 1.00 0.00 H new ATOM 0 HA GLN A 81 2.892 10.797 -11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.835 11.758 -9.202 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.841 13.012 -9.916 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.035 11.868 -7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.876 12.170 -9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.123 9.663 -7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.075 8.292 -8.190 1.00 0.00 H new ATOM 1276 N TYR A 82 5.596 12.031 -12.522 1.00 0.00 N ATOM 1277 CA TYR A 82 6.134 12.953 -13.515 1.00 0.00 C ATOM 1278 C TYR A 82 6.067 12.395 -14.928 1.00 0.00 C ATOM 1279 O TYR A 82 5.535 13.055 -15.818 1.00 0.00 O ATOM 1280 CB TYR A 82 7.587 13.256 -13.171 1.00 0.00 C ATOM 1281 CG TYR A 82 8.416 13.742 -14.337 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.338 15.075 -14.768 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.271 12.845 -14.983 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.174 15.522 -15.802 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.145 13.290 -15.984 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.092 14.635 -16.403 1.00 0.00 C ATOM 1287 OH TYR A 82 10.923 15.077 -17.387 1.00 0.00 O ATOM 0 H TYR A 82 6.254 11.322 -12.198 1.00 0.00 H new ATOM 0 HA TYR A 82 5.524 13.856 -13.490 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.612 14.010 -12.384 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.047 12.355 -12.764 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.637 15.754 -14.306 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.258 11.801 -14.709 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.115 16.547 -16.138 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.853 12.608 -16.431 1.00 0.00 H new ATOM 0 HH TYR A 82 11.492 14.339 -17.691 1.00 0.00 H new ATOM 1297 N ARG A 83 6.596 11.191 -15.154 1.00 0.00 N ATOM 1298 CA ARG A 83 6.528 10.600 -16.485 1.00 0.00 C ATOM 1299 C ARG A 83 5.095 10.174 -16.742 1.00 0.00 C ATOM 1300 O ARG A 83 4.685 9.960 -17.879 1.00 0.00 O ATOM 1301 CB ARG A 83 7.461 9.411 -16.652 1.00 0.00 C ATOM 1302 CG ARG A 83 8.882 9.569 -16.132 1.00 0.00 C ATOM 1303 CD ARG A 83 8.952 9.285 -14.630 1.00 0.00 C ATOM 1304 NE ARG A 83 10.361 9.257 -14.213 1.00 0.00 N ATOM 1305 CZ ARG A 83 11.024 8.157 -13.847 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.397 6.987 -13.777 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.317 8.234 -13.549 1.00 0.00 N ATOM 0 H ARG A 83 7.064 10.621 -14.450 1.00 0.00 H new ATOM 0 HA ARG A 83 6.852 11.349 -17.207 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.010 8.554 -16.151 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.514 9.168 -17.713 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.546 8.889 -16.666 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.235 10.581 -16.331 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.411 10.052 -14.076 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.474 8.332 -14.404 1.00 0.00 H new ATOM 0 HE ARG A 83 10.869 10.141 -14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.404 6.926 -14.003 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.909 6.150 -13.497 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.800 9.131 -13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.827 7.396 -13.269 1.00 0.00 H new ATOM 1321 N LEU A 84 4.341 10.063 -15.652 1.00 0.00 N ATOM 1322 CA LEU A 84 2.932 9.747 -15.669 1.00 0.00 C ATOM 1323 C LEU A 84 2.133 10.957 -16.142 1.00 0.00 C ATOM 1324 O LEU A 84 0.955 10.850 -16.462 1.00 0.00 O ATOM 1325 CB LEU A 84 2.551 9.362 -14.246 1.00 0.00 C ATOM 1326 CG LEU A 84 1.058 9.066 -14.091 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.627 7.963 -15.067 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.793 8.655 -12.650 1.00 0.00 C ATOM 0 H LEU A 84 4.712 10.196 -14.711 1.00 0.00 H new ATOM 0 HA LEU A 84 2.715 8.928 -16.355 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.124 8.484 -13.946 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.829 10.170 -13.569 1.00 0.00 H new ATOM 0 HG LEU A 84 0.475 9.956 -14.326 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.438 7.764 -14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.820 8.286 -16.090 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.192 7.054 -14.861 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.268 8.440 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.375 7.764 -12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.082 9.466 -11.981 1.00 0.00 H new ATOM 1340 N GLU A 85 2.784 12.118 -16.186 1.00 0.00 N ATOM 1341 CA GLU A 85 2.205 13.359 -16.670 1.00 0.00 C ATOM 1342 C GLU A 85 2.913 13.875 -17.919 1.00 0.00 C ATOM 1343 O GLU A 85 2.670 15.004 -18.339 1.00 0.00 O ATOM 1344 CB GLU A 85 2.228 14.383 -15.539 1.00 0.00 C ATOM 1345 CG GLU A 85 1.330 13.861 -14.422 1.00 0.00 C ATOM 1346 CD GLU A 85 1.061 14.921 -13.352 1.00 0.00 C ATOM 1347 OE1 GLU A 85 1.904 15.831 -13.197 1.00 0.00 O ATOM 1348 OE2 GLU A 85 0.000 14.815 -12.693 1.00 0.00 O ATOM 0 H GLU A 85 3.751 12.219 -15.878 1.00 0.00 H new ATOM 0 HA GLU A 85 1.173 13.177 -16.971 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.245 14.528 -15.175 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.874 15.351 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.383 13.527 -14.846 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.797 12.991 -13.960 1.00 0.00 H new ATOM 1355 N LEU A 86 3.786 13.058 -18.525 1.00 0.00 N ATOM 1356 CA LEU A 86 4.401 13.408 -19.796 1.00 0.00 C ATOM 1357 C LEU A 86 4.094 12.350 -20.853 1.00 0.00 C ATOM 1358 O LEU A 86 3.850 12.689 -22.004 1.00 0.00 O ATOM 1359 CB LEU A 86 5.902 13.632 -19.579 1.00 0.00 C ATOM 1360 CG LEU A 86 6.765 12.370 -19.686 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.163 12.139 -21.147 1.00 0.00 C ATOM 1362 CD2 LEU A 86 8.037 12.500 -18.851 1.00 0.00 C ATOM 0 H LEU A 86 4.076 12.155 -18.150 1.00 0.00 H new ATOM 0 HA LEU A 86 3.981 14.339 -20.178 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.255 14.359 -20.310 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.050 14.073 -18.593 1.00 0.00 H new ATOM 0 HG LEU A 86 6.178 11.531 -19.313 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.777 11.241 -21.219 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.266 12.015 -21.753 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.730 12.996 -21.509 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.629 11.590 -18.946 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.619 13.351 -19.205 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.772 12.652 -17.805 1.00 0.00 H new ATOM 1374 N ALA A 87 4.103 11.071 -20.467 1.00 0.00 N ATOM 1375 CA ALA A 87 3.831 9.957 -21.338 1.00 0.00 C ATOM 1376 C ALA A 87 2.418 10.056 -21.906 1.00 0.00 C ATOM 1377 O ALA A 87 2.264 10.153 -23.115 1.00 0.00 O ATOM 1378 CB ALA A 87 3.998 8.679 -20.513 1.00 0.00 C ATOM 0 H ALA A 87 4.307 10.789 -19.508 1.00 0.00 H new ATOM 0 HA ALA A 87 4.519 9.953 -22.184 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.799 7.811 -21.142 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.017 8.624 -20.130 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.297 8.690 -19.678 1.00 0.00 H new ATOM 1384 N GLN A 88 1.396 10.034 -21.044 1.00 0.00 N ATOM 1385 CA GLN A 88 -0.005 10.126 -21.446 1.00 0.00 C ATOM 1386 C GLN A 88 -0.320 11.424 -22.182 1.00 0.00 C ATOM 1387 O GLN A 88 -1.340 11.524 -22.863 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.918 9.975 -20.249 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.482 10.878 -19.110 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.493 10.814 -17.970 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.277 11.739 -17.768 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.480 9.714 -17.221 1.00 0.00 N ATOM 0 H GLN A 88 1.524 9.951 -20.035 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.183 9.306 -22.142 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.942 10.216 -20.536 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.916 8.937 -19.915 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.501 10.574 -18.751 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.388 11.904 -19.465 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.813 8.968 -17.421 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.137 9.616 -16.447 1.00 0.00 H new ATOM 1401 N GLY A 89 0.561 12.413 -22.041 1.00 0.00 N ATOM 1402 CA GLY A 89 0.429 13.697 -22.710 1.00 0.00 C ATOM 1403 C GLY A 89 1.260 13.712 -23.993 1.00 0.00 C ATOM 1404 O GLY A 89 1.453 14.763 -24.603 1.00 0.00 O ATOM 0 H GLY A 89 1.392 12.341 -21.453 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.618 13.887 -22.944 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.757 14.497 -22.046 1.00 0.00 H new ATOM 1408 N ALA A 90 1.748 12.534 -24.403 1.00 0.00 N ATOM 1409 CA ALA A 90 2.607 12.382 -25.565 1.00 0.00 C ATOM 1410 C ALA A 90 2.329 11.101 -26.338 1.00 0.00 C ATOM 1411 O ALA A 90 2.702 11.013 -27.508 1.00 0.00 O ATOM 1412 CB ALA A 90 4.038 12.260 -25.074 1.00 0.00 C ATOM 0 H ALA A 90 1.550 11.655 -23.926 1.00 0.00 H new ATOM 0 HA ALA A 90 2.429 13.241 -26.212 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.707 12.144 -25.927 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.310 13.158 -24.519 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.126 11.390 -24.423 1.00 0.00 H new ATOM 1833 N VAL B 708 17.339 7.450 -12.696 1.00 0.00 N ATOM 1834 CA VAL B 708 16.624 6.179 -12.749 1.00 0.00 C ATOM 1835 C VAL B 708 15.925 5.797 -11.440 1.00 0.00 C ATOM 1836 O VAL B 708 14.700 5.877 -11.373 1.00 0.00 O ATOM 1837 CB VAL B 708 17.546 5.081 -13.297 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.290 5.596 -14.525 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.619 4.579 -12.331 1.00 0.00 C ATOM 0 HA VAL B 708 15.795 6.301 -13.446 1.00 0.00 H new ATOM 0 HB VAL B 708 16.871 4.251 -13.508 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.943 4.813 -14.910 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.571 5.879 -15.294 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.888 6.465 -14.250 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.214 3.806 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.266 5.408 -12.043 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.143 4.165 -11.442 1.00 0.00 H new ATOM 1849 N ASP B 709 16.664 5.392 -10.402 1.00 0.00 N ATOM 1850 CA ASP B 709 16.076 4.878 -9.169 1.00 0.00 C ATOM 1851 C ASP B 709 15.802 5.999 -8.175 1.00 0.00 C ATOM 1852 O ASP B 709 14.613 6.179 -7.832 1.00 0.00 O ATOM 1853 CB ASP B 709 16.969 3.808 -8.539 1.00 0.00 C ATOM 1854 CG ASP B 709 18.398 4.273 -8.232 1.00 0.00 C ATOM 1855 OD1 ASP B 709 19.041 4.861 -9.134 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.840 4.031 -7.087 1.00 0.00 O ATOM 1857 OXT ASP B 709 16.774 6.672 -7.763 1.00 0.00 O ATOM 0 H ASP B 709 17.684 5.413 -10.397 1.00 0.00 H new ATOM 0 HA ASP B 709 15.122 4.419 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.506 3.464 -7.614 1.00 0.00 H new ATOM 0 HB3 ASP B 709 17.016 2.950 -9.210 1.00 0.00 H new