USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=23 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 165:sc= 0.43 USER MOD Set 1.2: A 67 TYR OH : rot -127:sc= 0.00884 USER MOD Set 2.1: A 62 GLN : amide:sc= -1.96! K(o=-1.8!,f=0.25) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.16 K(o=-1.8,f=-9.3!) USER MOD Set 3.1: A 46 MET CE :methyl -157:sc= -1.06 (180deg=-0.941) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 172:sc= 1.25 (180deg=0.599) USER MOD Set 4.1: A 42 SER OG : rot 112:sc= -0.204 USER MOD Set 4.2: A 43 ASN : amide:sc= -2.6 K(o=-2.8,f=-1.9) USER MOD Set 5.1: A 7 GLN : amide:sc= -1 K(o=-0.68,f=0.19) USER MOD Set 5.2: A 29 GLN : amide:sc= 0.32 K(o=-0.68,f=-2.4!) USER MOD Set 6.1: A 10 GLN : amide:sc= 0 K(o=0,f=0.5) USER MOD Set 6.2: A 26 CYS SG : rot 150:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0101) USER MOD Single : A 12 ASN : amide:sc= -1.51 K(o=-1.5,f=0.3) 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= -0.755 K(o=-0.76,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 54:sc= 0.414 USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.0144 USER MOD Single : A 34 GLN : amide:sc= -2.3! K(o=-2.3!,f=-0.69) USER MOD Single : A 36 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.789! C(o=-0.79!,f=-4.6!) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.17) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 56 GLN : amide:sc= -0.93 K(o=-0.93,f=-0.072) USER MOD Single : A 59 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 60 MET CE :methyl 159:sc= -0.161 (180deg=-1.14) USER MOD Single : A 61 CYS SG : rot 81:sc= -0.39 USER MOD Single : A 68 THR OG1 : rot 110:sc= 0.00305 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 73 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-3.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 143:sc= 1.3 (180deg=0.449) USER MOD Single : A 81 GLN : amide:sc= -8.87! C(o=-8.9!,f=-8.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 19.928 -6.277 -6.452 1.00 0.00 N ATOM 32 CA PHE A 4 18.887 -5.455 -7.062 1.00 0.00 C ATOM 33 C PHE A 4 19.558 -4.176 -7.529 1.00 0.00 C ATOM 34 O PHE A 4 19.286 -3.655 -8.604 1.00 0.00 O ATOM 35 CB PHE A 4 17.843 -5.121 -5.996 1.00 0.00 C ATOM 36 CG PHE A 4 16.807 -4.086 -6.391 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.090 -2.712 -6.315 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.538 -4.506 -6.815 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.100 -1.770 -6.622 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.551 -3.565 -7.132 1.00 0.00 C ATOM 41 CZ PHE A 4 14.837 -2.191 -7.055 1.00 0.00 C ATOM 0 HA PHE A 4 18.401 -5.967 -7.892 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.325 -6.040 -5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.361 -4.768 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.074 -2.381 -6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.321 -5.561 -6.897 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.312 -0.715 -6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.569 -3.895 -7.436 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.087 -1.464 -7.328 1.00 0.00 H new ATOM 51 N GLU A 5 20.456 -3.693 -6.673 1.00 0.00 N ATOM 52 CA GLU A 5 21.256 -2.523 -6.911 1.00 0.00 C ATOM 53 C GLU A 5 22.007 -2.586 -8.232 1.00 0.00 C ATOM 54 O GLU A 5 21.950 -1.644 -9.011 1.00 0.00 O ATOM 55 CB GLU A 5 22.284 -2.467 -5.800 1.00 0.00 C ATOM 56 CG GLU A 5 21.629 -2.261 -4.437 1.00 0.00 C ATOM 57 CD GLU A 5 22.680 -2.145 -3.335 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.628 -2.962 -3.352 1.00 0.00 O ATOM 59 OE2 GLU A 5 22.529 -1.239 -2.483 1.00 0.00 O ATOM 0 H GLU A 5 20.643 -4.129 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 5 20.601 -1.652 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.861 -3.392 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.985 -1.655 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.017 -1.359 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.961 -3.095 -4.221 1.00 0.00 H new ATOM 66 N LYS A 6 22.720 -3.682 -8.511 1.00 0.00 N ATOM 67 CA LYS A 6 23.568 -3.713 -9.689 1.00 0.00 C ATOM 68 C LYS A 6 22.723 -3.697 -10.949 1.00 0.00 C ATOM 69 O LYS A 6 23.066 -3.028 -11.913 1.00 0.00 O ATOM 70 CB LYS A 6 24.422 -4.972 -9.675 1.00 0.00 C ATOM 71 CG LYS A 6 25.833 -4.685 -9.162 1.00 0.00 C ATOM 72 CD LYS A 6 25.864 -4.179 -7.715 1.00 0.00 C ATOM 73 CE LYS A 6 25.352 -5.251 -6.755 1.00 0.00 C ATOM 74 NZ LYS A 6 25.465 -4.810 -5.353 1.00 0.00 N ATOM 0 H LYS A 6 22.724 -4.534 -7.950 1.00 0.00 H new ATOM 0 HA LYS A 6 24.210 -2.832 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.951 -5.726 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.477 -5.387 -10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.430 -5.594 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.303 -3.944 -9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.882 -3.899 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.252 -3.282 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.311 -5.481 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.920 -6.171 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.110 -5.558 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.462 -4.614 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.903 -3.946 -5.215 1.00 0.00 H new ATOM 88 N GLN A 7 21.613 -4.433 -10.948 1.00 0.00 N ATOM 89 CA GLN A 7 20.675 -4.446 -12.050 1.00 0.00 C ATOM 90 C GLN A 7 19.981 -3.088 -12.200 1.00 0.00 C ATOM 91 O GLN A 7 19.236 -2.873 -13.151 1.00 0.00 O ATOM 92 CB GLN A 7 19.708 -5.594 -11.801 1.00 0.00 C ATOM 93 CG GLN A 7 20.576 -6.834 -11.564 1.00 0.00 C ATOM 94 CD GLN A 7 19.766 -8.108 -11.643 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.635 -8.842 -10.669 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.212 -8.374 -12.815 1.00 0.00 N ATOM 0 H GLN A 7 21.345 -5.039 -10.173 1.00 0.00 H new ATOM 0 HA GLN A 7 21.181 -4.608 -13.002 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.075 -5.390 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.046 -5.739 -12.655 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.376 -6.865 -12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.050 -6.764 -10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.347 -7.736 -13.599 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.650 -9.217 -12.934 1.00 0.00 H new ATOM 105 N LYS A 8 20.227 -2.175 -11.250 1.00 0.00 N ATOM 106 CA LYS A 8 19.696 -0.820 -11.222 1.00 0.00 C ATOM 107 C LYS A 8 20.804 0.219 -11.400 1.00 0.00 C ATOM 108 O LYS A 8 20.515 1.396 -11.593 1.00 0.00 O ATOM 109 CB LYS A 8 19.037 -0.656 -9.862 1.00 0.00 C ATOM 110 CG LYS A 8 18.252 0.645 -9.755 1.00 0.00 C ATOM 111 CD LYS A 8 17.629 0.683 -8.373 1.00 0.00 C ATOM 112 CE LYS A 8 18.731 0.646 -7.315 1.00 0.00 C ATOM 113 NZ LYS A 8 18.270 1.182 -6.017 1.00 0.00 N ATOM 0 H LYS A 8 20.827 -2.377 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 8 18.991 -0.666 -12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.368 -1.498 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.801 -0.682 -9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.908 1.503 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.482 0.694 -10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.030 1.586 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.956 -0.165 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.072 -0.381 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.587 1.224 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.079 1.265 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.843 2.119 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.563 0.539 -5.607 1.00 0.00 H new ATOM 127 N GLU A 9 22.067 -0.210 -11.340 1.00 0.00 N ATOM 128 CA GLU A 9 23.242 0.647 -11.479 1.00 0.00 C ATOM 129 C GLU A 9 23.997 0.343 -12.766 1.00 0.00 C ATOM 130 O GLU A 9 24.732 1.190 -13.272 1.00 0.00 O ATOM 131 CB GLU A 9 24.159 0.413 -10.287 1.00 0.00 C ATOM 132 CG GLU A 9 23.429 0.873 -9.032 1.00 0.00 C ATOM 133 CD GLU A 9 23.600 2.366 -8.770 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.765 2.813 -8.680 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.562 3.051 -8.665 1.00 0.00 O ATOM 0 H GLU A 9 22.305 -1.190 -11.189 1.00 0.00 H new ATOM 0 HA GLU A 9 22.917 1.687 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.421 -0.642 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.091 0.965 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.368 0.644 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 9 23.800 0.312 -8.174 1.00 0.00 H new ATOM 142 N GLN A 10 23.814 -0.864 -13.296 1.00 0.00 N ATOM 143 CA GLN A 10 24.392 -1.232 -14.582 1.00 0.00 C ATOM 144 C GLN A 10 23.632 -0.606 -15.748 1.00 0.00 C ATOM 145 O GLN A 10 24.243 0.014 -16.615 1.00 0.00 O ATOM 146 CB GLN A 10 24.371 -2.755 -14.711 1.00 0.00 C ATOM 147 CG GLN A 10 25.304 -3.207 -15.830 1.00 0.00 C ATOM 148 CD GLN A 10 24.814 -4.510 -16.442 1.00 0.00 C ATOM 149 OE1 GLN A 10 25.217 -5.597 -16.031 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.935 -4.407 -17.436 1.00 0.00 N ATOM 0 H GLN A 10 23.269 -1.603 -12.853 1.00 0.00 H new ATOM 0 HA GLN A 10 25.415 -0.856 -14.620 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.676 -3.210 -13.769 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.356 -3.095 -14.916 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.359 -2.436 -16.599 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.313 -3.339 -15.439 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.625 -3.487 -17.749 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.572 -5.248 -17.885 1.00 0.00 H new ATOM 159 N GLY A 11 22.305 -0.754 -15.785 1.00 0.00 N ATOM 160 CA GLY A 11 21.497 -0.136 -16.826 1.00 0.00 C ATOM 161 C GLY A 11 21.388 1.368 -16.569 1.00 0.00 C ATOM 162 O GLY A 11 20.931 2.119 -17.429 1.00 0.00 O ATOM 0 H GLY A 11 21.773 -1.297 -15.105 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.945 -0.316 -17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.504 -0.585 -16.843 1.00 0.00 H new ATOM 166 N ASN A 12 21.816 1.797 -15.378 1.00 0.00 N ATOM 167 CA ASN A 12 21.782 3.176 -14.919 1.00 0.00 C ATOM 168 C ASN A 12 22.629 4.071 -15.811 1.00 0.00 C ATOM 169 O ASN A 12 22.486 5.286 -15.759 1.00 0.00 O ATOM 170 CB ASN A 12 22.347 3.187 -13.505 1.00 0.00 C ATOM 171 CG ASN A 12 21.933 4.356 -12.624 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.757 5.479 -13.078 1.00 0.00 O ATOM 173 ND2 ASN A 12 21.782 4.072 -11.334 1.00 0.00 N ATOM 0 H ASN A 12 22.210 1.162 -14.684 1.00 0.00 H new ATOM 0 HA ASN A 12 20.760 3.555 -14.947 1.00 0.00 H new ATOM 0 HB2 ASN A 12 22.049 2.263 -13.010 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.435 3.177 -13.571 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.509 4.805 -10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 12 21.939 3.121 -10.999 1.00 0.00 H new ATOM 180 N SER A 13 23.506 3.479 -16.626 1.00 0.00 N ATOM 181 CA SER A 13 24.247 4.262 -17.599 1.00 0.00 C ATOM 182 C SER A 13 23.815 3.910 -19.018 1.00 0.00 C ATOM 183 O SER A 13 23.868 4.765 -19.896 1.00 0.00 O ATOM 184 CB SER A 13 25.745 4.050 -17.388 1.00 0.00 C ATOM 185 OG SER A 13 26.081 2.699 -17.627 1.00 0.00 O ATOM 0 H SER A 13 23.713 2.480 -16.628 1.00 0.00 H new ATOM 0 HA SER A 13 24.029 5.320 -17.456 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.310 4.698 -18.058 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.020 4.327 -16.370 1.00 0.00 H new ATOM 0 HG SER A 13 27.043 2.572 -17.491 1.00 0.00 H new ATOM 191 N LEU A 14 23.384 2.670 -19.258 1.00 0.00 N ATOM 192 CA LEU A 14 22.864 2.255 -20.550 1.00 0.00 C ATOM 193 C LEU A 14 21.692 3.138 -20.984 1.00 0.00 C ATOM 194 O LEU A 14 21.548 3.440 -22.167 1.00 0.00 O ATOM 195 CB LEU A 14 22.430 0.810 -20.418 1.00 0.00 C ATOM 196 CG LEU A 14 23.633 -0.072 -20.063 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.350 -1.400 -20.712 1.00 0.00 C ATOM 198 CD2 LEU A 14 24.989 0.389 -20.600 1.00 0.00 C ATOM 0 H LEU A 14 23.388 1.929 -18.557 1.00 0.00 H new ATOM 0 HA LEU A 14 23.633 2.356 -21.316 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.664 0.721 -19.647 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.983 0.470 -21.352 1.00 0.00 H new ATOM 0 HG LEU A 14 23.725 -0.066 -18.977 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.169 -2.089 -20.503 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.421 -1.809 -20.314 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.255 -1.266 -21.789 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.762 -0.312 -20.285 1.00 0.00 H new ATOM 0 HD22 LEU A 14 24.955 0.427 -21.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.217 1.380 -20.209 1.00 0.00 H new ATOM 210 N PHE A 15 20.856 3.551 -20.029 1.00 0.00 N ATOM 211 CA PHE A 15 19.710 4.402 -20.294 1.00 0.00 C ATOM 212 C PHE A 15 20.183 5.800 -20.653 1.00 0.00 C ATOM 213 O PHE A 15 19.623 6.441 -21.540 1.00 0.00 O ATOM 214 CB PHE A 15 18.873 4.449 -19.014 1.00 0.00 C ATOM 215 CG PHE A 15 18.075 5.713 -18.788 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.979 6.033 -19.598 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.437 6.572 -17.741 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.245 7.205 -19.366 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.667 7.701 -17.460 1.00 0.00 C ATOM 220 CZ PHE A 15 16.584 8.033 -18.284 1.00 0.00 C ATOM 0 H PHE A 15 20.962 3.299 -19.046 1.00 0.00 H new ATOM 0 HA PHE A 15 19.122 4.014 -21.126 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.183 3.605 -19.024 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.539 4.307 -18.163 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.697 5.374 -20.406 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.315 6.359 -17.150 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.424 7.469 -20.016 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.906 8.319 -16.607 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.010 8.926 -18.087 1.00 0.00 H new ATOM 230 N LYS A 16 21.219 6.266 -19.957 1.00 0.00 N ATOM 231 CA LYS A 16 21.723 7.608 -20.146 1.00 0.00 C ATOM 232 C LYS A 16 22.557 7.726 -21.426 1.00 0.00 C ATOM 233 O LYS A 16 22.799 8.833 -21.901 1.00 0.00 O ATOM 234 CB LYS A 16 22.544 7.999 -18.922 1.00 0.00 C ATOM 235 CG LYS A 16 21.790 7.590 -17.668 1.00 0.00 C ATOM 236 CD LYS A 16 22.484 8.133 -16.424 1.00 0.00 C ATOM 237 CE LYS A 16 22.232 9.634 -16.301 1.00 0.00 C ATOM 238 NZ LYS A 16 22.845 10.178 -15.075 1.00 0.00 N ATOM 0 H LYS A 16 21.722 5.723 -19.255 1.00 0.00 H new ATOM 0 HA LYS A 16 20.881 8.290 -20.259 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.518 7.511 -18.951 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.725 9.074 -18.918 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.767 7.965 -17.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.729 6.503 -17.612 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.113 7.619 -15.537 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.555 7.939 -16.481 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.639 10.147 -17.173 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.159 9.826 -16.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.658 11.199 -15.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.438 9.704 -14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.872 10.015 -15.098 1.00 0.00 H new ATOM 252 N GLN A 17 22.995 6.588 -21.983 1.00 0.00 N ATOM 253 CA GLN A 17 23.755 6.546 -23.221 1.00 0.00 C ATOM 254 C GLN A 17 22.812 6.642 -24.413 1.00 0.00 C ATOM 255 O GLN A 17 23.124 7.312 -25.397 1.00 0.00 O ATOM 256 CB GLN A 17 24.481 5.204 -23.328 1.00 0.00 C ATOM 257 CG GLN A 17 25.762 5.145 -22.498 1.00 0.00 C ATOM 258 CD GLN A 17 26.540 3.867 -22.817 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.759 3.890 -22.953 1.00 0.00 O ATOM 260 NE2 GLN A 17 25.836 2.744 -22.937 1.00 0.00 N ATOM 0 H GLN A 17 22.826 5.668 -21.576 1.00 0.00 H new ATOM 0 HA GLN A 17 24.461 7.377 -23.220 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.810 4.408 -23.005 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.724 5.012 -24.373 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.380 6.018 -22.708 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.518 5.175 -21.436 1.00 0.00 H new ATOM 0 HE21 GLN A 17 24.823 2.762 -22.817 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.309 1.866 -23.149 1.00 0.00 H new ATOM 269 N GLY A 18 21.661 5.972 -24.320 1.00 0.00 N ATOM 270 CA GLY A 18 20.711 5.947 -25.419 1.00 0.00 C ATOM 271 C GLY A 18 20.029 4.606 -25.606 1.00 0.00 C ATOM 272 O GLY A 18 19.022 4.503 -26.309 1.00 0.00 O ATOM 0 H GLY A 18 21.371 5.444 -23.497 1.00 0.00 H new ATOM 0 HA2 GLY A 18 19.952 6.710 -25.248 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.228 6.213 -26.341 1.00 0.00 H new ATOM 276 N LEU A 19 20.581 3.574 -24.976 1.00 0.00 N ATOM 277 CA LEU A 19 20.149 2.203 -25.151 1.00 0.00 C ATOM 278 C LEU A 19 18.904 1.890 -24.339 1.00 0.00 C ATOM 279 O LEU A 19 18.785 0.791 -23.806 1.00 0.00 O ATOM 280 CB LEU A 19 21.194 1.291 -24.554 1.00 0.00 C ATOM 281 CG LEU A 19 22.659 1.502 -24.864 1.00 0.00 C ATOM 282 CD1 LEU A 19 23.312 0.351 -24.095 1.00 0.00 C ATOM 283 CD2 LEU A 19 22.997 1.445 -26.348 1.00 0.00 C ATOM 0 H LEU A 19 21.355 3.675 -24.319 1.00 0.00 H new ATOM 0 HA LEU A 19 19.976 2.064 -26.218 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.083 1.339 -23.471 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.944 0.274 -24.855 1.00 0.00 H new ATOM 0 HG LEU A 19 23.002 2.496 -24.578 1.00 0.00 H new ATOM 0 HD11 LEU A 19 24.392 0.386 -24.236 1.00 0.00 H new ATOM 0 HD12 LEU A 19 23.081 0.445 -23.034 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.928 -0.599 -24.467 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.066 1.606 -26.484 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.723 0.468 -26.746 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.443 2.220 -26.877 1.00 0.00 H new ATOM 295 N TYR A 20 17.988 2.839 -24.236 1.00 0.00 N ATOM 296 CA TYR A 20 16.861 2.774 -23.326 1.00 0.00 C ATOM 297 C TYR A 20 16.346 1.356 -23.098 1.00 0.00 C ATOM 298 O TYR A 20 16.239 0.949 -21.948 1.00 0.00 O ATOM 299 CB TYR A 20 15.782 3.685 -23.883 1.00 0.00 C ATOM 300 CG TYR A 20 16.360 5.000 -24.352 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.090 5.796 -23.455 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.189 5.410 -25.680 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.618 7.023 -23.881 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.712 6.637 -26.111 1.00 0.00 C ATOM 305 CZ TYR A 20 17.427 7.450 -25.212 1.00 0.00 C ATOM 306 OH TYR A 20 17.935 8.643 -25.628 1.00 0.00 O ATOM 0 H TYR A 20 18.009 3.692 -24.795 1.00 0.00 H new ATOM 0 HA TYR A 20 17.178 3.107 -22.338 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.279 3.190 -24.713 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.028 3.869 -23.118 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.245 5.464 -22.439 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.653 4.779 -26.374 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.171 7.642 -23.190 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.566 6.958 -27.132 1.00 0.00 H new ATOM 0 HH TYR A 20 17.713 8.782 -26.572 1.00 0.00 H new ATOM 316 N ARG A 21 16.032 0.602 -24.158 1.00 0.00 N ATOM 317 CA ARG A 21 15.501 -0.751 -24.027 1.00 0.00 C ATOM 318 C ARG A 21 16.536 -1.687 -23.424 1.00 0.00 C ATOM 319 O ARG A 21 16.201 -2.453 -22.530 1.00 0.00 O ATOM 320 CB ARG A 21 15.119 -1.240 -25.423 1.00 0.00 C ATOM 321 CG ARG A 21 13.900 -2.160 -25.430 1.00 0.00 C ATOM 322 CD ARG A 21 13.922 -3.228 -24.337 1.00 0.00 C ATOM 323 NE ARG A 21 12.771 -4.134 -24.456 1.00 0.00 N ATOM 324 CZ ARG A 21 12.710 -5.183 -25.283 1.00 0.00 C ATOM 325 NH1 ARG A 21 13.730 -5.488 -26.086 1.00 0.00 N ATOM 326 NH2 ARG A 21 11.617 -5.936 -25.317 1.00 0.00 N ATOM 0 H ARG A 21 16.140 0.914 -25.123 1.00 0.00 H new ATOM 0 HA ARG A 21 14.635 -0.742 -23.365 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.918 -0.378 -26.060 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.967 -1.768 -25.860 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.000 -1.555 -25.315 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.833 -2.650 -26.401 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.847 -3.801 -24.403 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.912 -2.750 -23.357 1.00 0.00 H new ATOM 0 HE ARG A 21 11.960 -3.949 -23.865 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.575 -4.917 -26.076 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.665 -6.292 -26.710 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.826 -5.714 -24.713 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.569 -6.737 -25.947 1.00 0.00 H new ATOM 340 N GLU A 22 17.788 -1.640 -23.888 1.00 0.00 N ATOM 341 CA GLU A 22 18.842 -2.475 -23.314 1.00 0.00 C ATOM 342 C GLU A 22 19.005 -2.128 -21.842 1.00 0.00 C ATOM 343 O GLU A 22 19.393 -2.967 -21.032 1.00 0.00 O ATOM 344 CB GLU A 22 20.195 -2.252 -23.993 1.00 0.00 C ATOM 345 CG GLU A 22 20.111 -2.314 -25.516 1.00 0.00 C ATOM 346 CD GLU A 22 21.478 -2.250 -26.195 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.443 -2.810 -25.629 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.548 -1.635 -27.283 1.00 0.00 O ATOM 0 H GLU A 22 18.093 -1.038 -24.653 1.00 0.00 H new ATOM 0 HA GLU A 22 18.545 -3.514 -23.458 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.590 -1.281 -23.695 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.901 -3.005 -23.642 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.609 -3.236 -25.809 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.495 -1.489 -25.874 1.00 0.00 H new ATOM 355 N ALA A 23 18.702 -0.873 -21.500 1.00 0.00 N ATOM 356 CA ALA A 23 18.805 -0.408 -20.138 1.00 0.00 C ATOM 357 C ALA A 23 17.671 -1.008 -19.303 1.00 0.00 C ATOM 358 O ALA A 23 17.876 -1.348 -18.139 1.00 0.00 O ATOM 359 CB ALA A 23 18.748 1.121 -20.138 1.00 0.00 C ATOM 0 H ALA A 23 18.382 -0.166 -22.162 1.00 0.00 H new ATOM 0 HA ALA A 23 19.749 -0.725 -19.695 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.825 1.488 -19.114 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.575 1.516 -20.728 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.804 1.450 -20.571 1.00 0.00 H new ATOM 365 N VAL A 24 16.469 -1.148 -19.888 1.00 0.00 N ATOM 366 CA VAL A 24 15.301 -1.682 -19.233 1.00 0.00 C ATOM 367 C VAL A 24 15.436 -3.181 -19.098 1.00 0.00 C ATOM 368 O VAL A 24 14.879 -3.819 -18.211 1.00 0.00 O ATOM 369 CB VAL A 24 14.023 -1.376 -20.007 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.943 -0.018 -20.679 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.439 -2.500 -20.843 1.00 0.00 C ATOM 0 H VAL A 24 16.297 -0.880 -20.857 1.00 0.00 H new ATOM 0 HA VAL A 24 15.232 -1.209 -18.253 1.00 0.00 H new ATOM 0 HB VAL A 24 13.332 -1.296 -19.168 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.988 0.077 -21.195 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.028 0.766 -19.926 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.756 0.080 -21.399 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.534 -2.151 -21.341 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.167 -2.813 -21.591 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.196 -3.345 -20.198 1.00 0.00 H new ATOM 381 N HIS A 25 16.202 -3.722 -20.028 1.00 0.00 N ATOM 382 CA HIS A 25 16.496 -5.127 -20.139 1.00 0.00 C ATOM 383 C HIS A 25 17.270 -5.659 -18.931 1.00 0.00 C ATOM 384 O HIS A 25 17.523 -6.858 -18.838 1.00 0.00 O ATOM 385 CB HIS A 25 17.273 -5.321 -21.432 1.00 0.00 C ATOM 386 CG HIS A 25 16.786 -6.471 -22.263 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.552 -7.780 -21.836 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.482 -6.367 -23.584 1.00 0.00 C ATOM 389 CE1 HIS A 25 16.087 -8.419 -22.922 1.00 0.00 C ATOM 390 NE2 HIS A 25 16.050 -7.605 -23.989 1.00 0.00 N ATOM 0 H HIS A 25 16.652 -3.165 -20.754 1.00 0.00 H new ATOM 0 HA HIS A 25 15.568 -5.699 -20.158 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.212 -4.407 -22.022 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.325 -5.477 -21.193 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.565 -5.481 -24.196 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.782 -9.455 -22.935 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.754 -7.861 -24.931 1.00 0.00 H new ATOM 398 N CYS A 26 17.643 -4.766 -18.007 1.00 0.00 N ATOM 399 CA CYS A 26 18.268 -5.116 -16.740 1.00 0.00 C ATOM 400 C CYS A 26 17.408 -4.562 -15.604 1.00 0.00 C ATOM 401 O CYS A 26 17.394 -5.105 -14.500 1.00 0.00 O ATOM 402 CB CYS A 26 19.683 -4.542 -16.684 1.00 0.00 C ATOM 403 SG CYS A 26 20.668 -5.238 -18.035 1.00 0.00 S ATOM 0 H CYS A 26 17.513 -3.762 -18.128 1.00 0.00 H new ATOM 0 HA CYS A 26 18.341 -6.199 -16.640 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.650 -3.456 -16.765 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.145 -4.776 -15.725 1.00 0.00 H new ATOM 0 HG CYS A 26 21.569 -4.376 -18.404 1.00 0.00 H new ATOM 409 N TYR A 27 16.691 -3.477 -15.891 1.00 0.00 N ATOM 410 CA TYR A 27 15.694 -2.876 -15.015 1.00 0.00 C ATOM 411 C TYR A 27 14.543 -3.839 -14.761 1.00 0.00 C ATOM 412 O TYR A 27 13.976 -3.840 -13.675 1.00 0.00 O ATOM 413 CB TYR A 27 15.121 -1.686 -15.770 1.00 0.00 C ATOM 414 CG TYR A 27 16.014 -0.485 -15.959 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.269 -0.383 -15.334 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.543 0.563 -16.762 1.00 0.00 C ATOM 417 CE1 TYR A 27 18.023 0.788 -15.489 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.280 1.740 -16.905 1.00 0.00 C ATOM 419 CZ TYR A 27 17.529 1.857 -16.263 1.00 0.00 C ATOM 420 OH TYR A 27 18.254 3.001 -16.384 1.00 0.00 O ATOM 0 H TYR A 27 16.794 -2.976 -16.773 1.00 0.00 H new ATOM 0 HA TYR A 27 16.153 -2.607 -14.063 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.809 -2.032 -16.756 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.222 -1.358 -15.248 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.649 -1.200 -14.739 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.599 0.459 -17.276 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.989 0.872 -15.012 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.896 2.554 -17.502 1.00 0.00 H new ATOM 0 HH TYR A 27 19.159 2.784 -16.692 1.00 0.00 H new ATOM 430 N ASP A 28 14.190 -4.658 -15.753 1.00 0.00 N ATOM 431 CA ASP A 28 13.054 -5.552 -15.667 1.00 0.00 C ATOM 432 C ASP A 28 13.261 -6.585 -14.563 1.00 0.00 C ATOM 433 O ASP A 28 12.294 -7.108 -14.016 1.00 0.00 O ATOM 434 CB ASP A 28 12.854 -6.222 -17.025 1.00 0.00 C ATOM 435 CG ASP A 28 11.546 -7.007 -17.070 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.482 -6.346 -17.095 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.620 -8.256 -17.081 1.00 0.00 O ATOM 0 H ASP A 28 14.692 -4.714 -16.639 1.00 0.00 H new ATOM 0 HA ASP A 28 12.158 -4.986 -15.412 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.853 -5.465 -17.809 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.689 -6.892 -17.229 1.00 0.00 H new ATOM 442 N GLN A 29 14.524 -6.877 -14.231 1.00 0.00 N ATOM 443 CA GLN A 29 14.813 -7.799 -13.152 1.00 0.00 C ATOM 444 C GLN A 29 14.653 -7.139 -11.783 1.00 0.00 C ATOM 445 O GLN A 29 14.556 -7.844 -10.782 1.00 0.00 O ATOM 446 CB GLN A 29 16.219 -8.366 -13.301 1.00 0.00 C ATOM 447 CG GLN A 29 16.315 -9.239 -14.551 1.00 0.00 C ATOM 448 CD GLN A 29 16.988 -8.523 -15.712 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.181 -8.235 -15.658 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.230 -8.230 -16.766 1.00 0.00 N ATOM 0 H GLN A 29 15.346 -6.488 -14.694 1.00 0.00 H new ATOM 0 HA GLN A 29 14.090 -8.612 -13.214 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.941 -7.552 -13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.476 -8.953 -12.420 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.873 -10.145 -14.315 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.314 -9.549 -14.851 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.243 -8.487 -16.771 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.636 -7.749 -17.568 1.00 0.00 H new ATOM 459 N LEU A 30 14.614 -5.804 -11.717 1.00 0.00 N ATOM 460 CA LEU A 30 14.315 -5.110 -10.469 1.00 0.00 C ATOM 461 C LEU A 30 12.892 -5.445 -10.069 1.00 0.00 C ATOM 462 O LEU A 30 12.594 -5.630 -8.892 1.00 0.00 O ATOM 463 CB LEU A 30 14.408 -3.596 -10.683 1.00 0.00 C ATOM 464 CG LEU A 30 15.763 -3.147 -11.205 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.841 -1.628 -11.229 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.894 -3.717 -10.359 1.00 0.00 C ATOM 0 H LEU A 30 14.786 -5.188 -12.512 1.00 0.00 H new ATOM 0 HA LEU A 30 15.023 -5.417 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.634 -3.287 -11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.203 -3.089 -9.740 1.00 0.00 H new ATOM 0 HG LEU A 30 15.875 -3.525 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.817 -1.320 -11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.060 -1.234 -11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.702 -1.241 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.851 -3.379 -10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.787 -3.375 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.855 -4.806 -10.385 1.00 0.00 H new ATOM 478 N ILE A 31 12.010 -5.523 -11.067 1.00 0.00 N ATOM 479 CA ILE A 31 10.617 -5.826 -10.829 1.00 0.00 C ATOM 480 C ILE A 31 10.434 -7.325 -10.653 1.00 0.00 C ATOM 481 O ILE A 31 9.632 -7.760 -9.847 1.00 0.00 O ATOM 482 CB ILE A 31 9.759 -5.325 -11.995 1.00 0.00 C ATOM 483 CG1 ILE A 31 10.025 -3.860 -12.339 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.331 -5.412 -11.506 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.816 -3.753 -13.631 1.00 0.00 C ATOM 0 H ILE A 31 12.247 -5.378 -12.048 1.00 0.00 H new ATOM 0 HA ILE A 31 10.298 -5.320 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 31 9.976 -5.918 -12.883 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.080 -3.326 -12.439 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.576 -3.384 -11.528 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.656 -5.068 -12.290 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.096 -6.446 -11.252 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.210 -4.785 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.997 -2.703 -13.861 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.769 -4.269 -13.518 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.250 -4.210 -14.443 1.00 0.00 H new ATOM 497 N THR A 32 11.162 -8.150 -11.390 1.00 0.00 N ATOM 498 CA THR A 32 11.006 -9.584 -11.198 1.00 0.00 C ATOM 499 C THR A 32 11.629 -10.034 -9.880 1.00 0.00 C ATOM 500 O THR A 32 11.202 -11.042 -9.318 1.00 0.00 O ATOM 501 CB THR A 32 11.680 -10.282 -12.382 1.00 0.00 C ATOM 502 OG1 THR A 32 10.946 -10.042 -13.562 1.00 0.00 O ATOM 503 CG2 THR A 32 11.846 -11.789 -12.195 1.00 0.00 C ATOM 0 H THR A 32 11.840 -7.868 -12.098 1.00 0.00 H new ATOM 0 HA THR A 32 9.948 -9.844 -11.152 1.00 0.00 H new ATOM 0 HB THR A 32 12.682 -9.858 -12.452 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.195 -9.169 -13.930 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.331 -12.214 -13.074 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.459 -11.981 -11.314 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.867 -12.249 -12.063 1.00 0.00 H new ATOM 511 N ALA A 33 12.629 -9.306 -9.369 1.00 0.00 N ATOM 512 CA ALA A 33 13.228 -9.648 -8.090 1.00 0.00 C ATOM 513 C ALA A 33 12.431 -9.027 -6.950 1.00 0.00 C ATOM 514 O ALA A 33 12.406 -9.556 -5.839 1.00 0.00 O ATOM 515 CB ALA A 33 14.661 -9.123 -8.036 1.00 0.00 C ATOM 0 H ALA A 33 13.032 -8.486 -9.822 1.00 0.00 H new ATOM 0 HA ALA A 33 13.225 -10.733 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.107 -9.381 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.244 -9.573 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.656 -8.039 -8.154 1.00 0.00 H new ATOM 521 N GLN A 34 11.779 -7.898 -7.230 1.00 0.00 N ATOM 522 CA GLN A 34 10.984 -7.169 -6.270 1.00 0.00 C ATOM 523 C GLN A 34 9.799 -6.538 -6.989 1.00 0.00 C ATOM 524 O GLN A 34 9.741 -5.332 -7.209 1.00 0.00 O ATOM 525 CB GLN A 34 11.917 -6.145 -5.652 1.00 0.00 C ATOM 526 CG GLN A 34 11.684 -5.890 -4.168 1.00 0.00 C ATOM 527 CD GLN A 34 12.981 -5.337 -3.591 1.00 0.00 C ATOM 528 OE1 GLN A 34 13.260 -5.459 -2.400 1.00 0.00 O ATOM 529 NE2 GLN A 34 13.781 -4.727 -4.463 1.00 0.00 N ATOM 0 H GLN A 34 11.796 -7.465 -8.153 1.00 0.00 H new ATOM 0 HA GLN A 34 10.567 -7.799 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.945 -6.478 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.810 -5.203 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.867 -5.182 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.400 -6.812 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.505 -4.651 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.670 -4.336 -4.152 1.00 0.00 H new ATOM 538 N PRO A 35 8.836 -7.372 -7.368 1.00 0.00 N ATOM 539 CA PRO A 35 7.690 -6.978 -8.174 1.00 0.00 C ATOM 540 C PRO A 35 6.760 -6.082 -7.386 1.00 0.00 C ATOM 541 O PRO A 35 5.838 -5.467 -7.915 1.00 0.00 O ATOM 542 CB PRO A 35 7.055 -8.285 -8.607 1.00 0.00 C ATOM 543 CG PRO A 35 7.702 -9.397 -7.783 1.00 0.00 C ATOM 544 CD PRO A 35 8.842 -8.772 -7.017 1.00 0.00 C ATOM 0 HA PRO A 35 7.962 -6.382 -9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.978 -8.262 -8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.212 -8.455 -9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.978 -9.843 -7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.064 -10.196 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.710 -8.906 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.792 -9.237 -7.282 1.00 0.00 H new ATOM 552 N GLN A 36 7.051 -6.038 -6.092 1.00 0.00 N ATOM 553 CA GLN A 36 6.466 -5.089 -5.162 1.00 0.00 C ATOM 554 C GLN A 36 7.466 -4.009 -4.753 1.00 0.00 C ATOM 555 O GLN A 36 7.647 -3.728 -3.568 1.00 0.00 O ATOM 556 CB GLN A 36 5.865 -5.795 -3.948 1.00 0.00 C ATOM 557 CG GLN A 36 4.847 -6.870 -4.319 1.00 0.00 C ATOM 558 CD GLN A 36 5.412 -8.245 -4.003 1.00 0.00 C ATOM 559 OE1 GLN A 36 5.042 -8.873 -3.016 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.318 -8.722 -4.846 1.00 0.00 N ATOM 0 H GLN A 36 7.715 -6.676 -5.653 1.00 0.00 H new ATOM 0 HA GLN A 36 5.650 -4.586 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.667 -6.249 -3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.385 -5.056 -3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.920 -6.712 -3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.603 -6.802 -5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.601 -8.171 -5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.732 -9.640 -4.684 1.00 0.00 H new ATOM 569 N ASN A 37 8.117 -3.402 -5.747 1.00 0.00 N ATOM 570 CA ASN A 37 9.044 -2.305 -5.547 1.00 0.00 C ATOM 571 C ASN A 37 8.856 -1.300 -6.685 1.00 0.00 C ATOM 572 O ASN A 37 8.721 -1.696 -7.840 1.00 0.00 O ATOM 573 CB ASN A 37 10.473 -2.846 -5.510 1.00 0.00 C ATOM 574 CG ASN A 37 11.269 -2.384 -6.712 1.00 0.00 C ATOM 575 OD1 ASN A 37 11.936 -1.360 -6.668 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.188 -3.146 -7.792 1.00 0.00 N ATOM 0 H ASN A 37 8.008 -3.669 -6.726 1.00 0.00 H new ATOM 0 HA ASN A 37 8.853 -1.803 -4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.966 -2.515 -4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.451 -3.935 -5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.696 -2.888 -8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.617 -3.991 -7.778 1.00 0.00 H new ATOM 583 N PRO A 38 8.844 -0.001 -6.376 1.00 0.00 N ATOM 584 CA PRO A 38 8.642 1.062 -7.346 1.00 0.00 C ATOM 585 C PRO A 38 9.818 1.352 -8.263 1.00 0.00 C ATOM 586 O PRO A 38 9.606 1.458 -9.467 1.00 0.00 O ATOM 587 CB PRO A 38 8.447 2.310 -6.502 1.00 0.00 C ATOM 588 CG PRO A 38 8.213 1.845 -5.081 1.00 0.00 C ATOM 589 CD PRO A 38 8.979 0.539 -5.042 1.00 0.00 C ATOM 0 HA PRO A 38 7.818 0.767 -7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.324 2.955 -6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.599 2.892 -6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.591 2.561 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.153 1.702 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.026 0.700 -4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.567 -0.140 -4.296 1.00 0.00 H new ATOM 597 N VAL A 39 11.048 1.489 -7.747 1.00 0.00 N ATOM 598 CA VAL A 39 12.166 1.830 -8.627 1.00 0.00 C ATOM 599 C VAL A 39 12.359 0.836 -9.757 1.00 0.00 C ATOM 600 O VAL A 39 12.895 1.147 -10.818 1.00 0.00 O ATOM 601 CB VAL A 39 13.433 2.135 -7.856 1.00 0.00 C ATOM 602 CG1 VAL A 39 14.093 1.110 -7.003 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.510 2.546 -8.833 1.00 0.00 C ATOM 0 H VAL A 39 11.286 1.373 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 39 11.895 2.762 -9.123 1.00 0.00 H new ATOM 0 HB VAL A 39 13.049 2.878 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.983 1.538 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.403 0.785 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.377 0.255 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.428 2.769 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.692 1.734 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.187 3.433 -9.379 1.00 0.00 H new ATOM 613 N GLY A 40 11.896 -0.371 -9.498 1.00 0.00 N ATOM 614 CA GLY A 40 11.787 -1.385 -10.541 1.00 0.00 C ATOM 615 C GLY A 40 11.033 -0.797 -11.724 1.00 0.00 C ATOM 616 O GLY A 40 11.528 -0.808 -12.849 1.00 0.00 O ATOM 0 H GLY A 40 11.588 -0.678 -8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.779 -1.714 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.265 -2.263 -10.160 1.00 0.00 H new ATOM 620 N TYR A 41 9.838 -0.272 -11.462 1.00 0.00 N ATOM 621 CA TYR A 41 8.979 0.292 -12.482 1.00 0.00 C ATOM 622 C TYR A 41 9.522 1.643 -12.930 1.00 0.00 C ATOM 623 O TYR A 41 9.327 2.025 -14.078 1.00 0.00 O ATOM 624 CB TYR A 41 7.591 0.466 -11.871 1.00 0.00 C ATOM 625 CG TYR A 41 6.904 -0.836 -11.550 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.300 -1.583 -12.570 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.877 -1.298 -10.231 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.682 -2.807 -12.276 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.274 -2.527 -9.928 1.00 0.00 C ATOM 630 CZ TYR A 41 5.668 -3.283 -10.951 1.00 0.00 C ATOM 631 OH TYR A 41 5.071 -4.473 -10.664 1.00 0.00 O ATOM 0 H TYR A 41 9.441 -0.229 -10.523 1.00 0.00 H new ATOM 0 HA TYR A 41 8.936 -0.364 -13.352 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.677 1.056 -10.959 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.968 1.035 -12.561 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.310 -1.215 -13.585 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.321 -0.707 -9.444 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.218 -3.383 -13.063 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.274 -2.894 -8.912 1.00 0.00 H new ATOM 0 HH TYR A 41 5.353 -4.775 -9.775 1.00 0.00 H new ATOM 641 N SER A 42 10.202 2.368 -12.040 1.00 0.00 N ATOM 642 CA SER A 42 10.654 3.725 -12.316 1.00 0.00 C ATOM 643 C SER A 42 11.738 3.728 -13.390 1.00 0.00 C ATOM 644 O SER A 42 11.746 4.589 -14.268 1.00 0.00 O ATOM 645 CB SER A 42 11.203 4.340 -11.020 1.00 0.00 C ATOM 646 OG SER A 42 12.587 4.114 -10.937 1.00 0.00 O ATOM 0 H SER A 42 10.452 2.029 -11.111 1.00 0.00 H new ATOM 0 HA SER A 42 9.812 4.313 -12.682 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.998 5.410 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.701 3.902 -10.157 1.00 0.00 H new ATOM 0 HG SER A 42 13.064 4.965 -11.029 1.00 0.00 H new ATOM 652 N ASN A 43 12.654 2.757 -13.324 1.00 0.00 N ATOM 653 CA ASN A 43 13.765 2.666 -14.253 1.00 0.00 C ATOM 654 C ASN A 43 13.249 2.249 -15.629 1.00 0.00 C ATOM 655 O ASN A 43 13.501 2.927 -16.624 1.00 0.00 O ATOM 656 CB ASN A 43 14.762 1.645 -13.704 1.00 0.00 C ATOM 657 CG ASN A 43 15.668 2.214 -12.624 1.00 0.00 C ATOM 658 OD1 ASN A 43 16.863 1.930 -12.601 1.00 0.00 O ATOM 659 ND2 ASN A 43 15.122 3.020 -11.722 1.00 0.00 N ATOM 0 H ASN A 43 12.639 2.017 -12.623 1.00 0.00 H new ATOM 0 HA ASN A 43 14.261 3.631 -14.361 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.215 0.794 -13.299 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.375 1.269 -14.523 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.698 3.423 -10.983 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.126 3.237 -11.768 1.00 0.00 H new ATOM 666 N LYS A 44 12.519 1.132 -15.679 1.00 0.00 N ATOM 667 CA LYS A 44 11.890 0.629 -16.897 1.00 0.00 C ATOM 668 C LYS A 44 10.952 1.692 -17.471 1.00 0.00 C ATOM 669 O LYS A 44 10.786 1.766 -18.683 1.00 0.00 O ATOM 670 CB LYS A 44 11.138 -0.644 -16.517 1.00 0.00 C ATOM 671 CG LYS A 44 10.418 -1.278 -17.707 1.00 0.00 C ATOM 672 CD LYS A 44 9.807 -2.612 -17.268 1.00 0.00 C ATOM 673 CE LYS A 44 9.100 -3.280 -18.445 1.00 0.00 C ATOM 674 NZ LYS A 44 8.531 -4.586 -18.054 1.00 0.00 N ATOM 0 H LYS A 44 12.348 0.546 -14.862 1.00 0.00 H new ATOM 0 HA LYS A 44 12.626 0.405 -17.669 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.840 -1.364 -16.096 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.411 -0.414 -15.738 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.639 -0.610 -18.075 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.116 -1.436 -18.529 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.587 -3.269 -16.883 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.099 -2.447 -16.455 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.306 -2.630 -18.813 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.804 -3.418 -19.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.101 -5.040 -18.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.286 -5.195 -17.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.805 -4.444 -17.323 1.00 0.00 H new ATOM 688 N ALA A 45 10.342 2.521 -16.616 1.00 0.00 N ATOM 689 CA ALA A 45 9.394 3.533 -17.073 1.00 0.00 C ATOM 690 C ALA A 45 10.079 4.715 -17.740 1.00 0.00 C ATOM 691 O ALA A 45 9.622 5.162 -18.789 1.00 0.00 O ATOM 692 CB ALA A 45 8.582 4.056 -15.888 1.00 0.00 C ATOM 0 H ALA A 45 10.490 2.508 -15.607 1.00 0.00 H new ATOM 0 HA ALA A 45 8.750 3.050 -17.808 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.876 4.811 -16.235 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.035 3.232 -15.429 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.254 4.499 -15.153 1.00 0.00 H new ATOM 698 N MET A 46 11.167 5.234 -17.159 1.00 0.00 N ATOM 699 CA MET A 46 11.809 6.418 -17.711 1.00 0.00 C ATOM 700 C MET A 46 12.337 6.124 -19.112 1.00 0.00 C ATOM 701 O MET A 46 12.334 6.987 -19.986 1.00 0.00 O ATOM 702 CB MET A 46 12.937 6.868 -16.778 1.00 0.00 C ATOM 703 CG MET A 46 13.079 8.392 -16.736 1.00 0.00 C ATOM 704 SD MET A 46 13.446 9.220 -18.300 1.00 0.00 S ATOM 705 CE MET A 46 11.802 9.834 -18.740 1.00 0.00 C ATOM 0 H MET A 46 11.610 4.856 -16.322 1.00 0.00 H new ATOM 0 HA MET A 46 11.081 7.226 -17.791 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.745 6.495 -15.772 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.877 6.426 -17.108 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.153 8.809 -16.340 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.869 8.640 -16.027 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.751 9.998 -19.816 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.050 9.101 -18.448 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.614 10.774 -18.221 1.00 0.00 H new ATOM 715 N ALA A 47 12.789 4.889 -19.324 1.00 0.00 N ATOM 716 CA ALA A 47 13.287 4.459 -20.613 1.00 0.00 C ATOM 717 C ALA A 47 12.166 4.369 -21.648 1.00 0.00 C ATOM 718 O ALA A 47 12.406 4.620 -22.827 1.00 0.00 O ATOM 719 CB ALA A 47 13.942 3.098 -20.422 1.00 0.00 C ATOM 0 H ALA A 47 12.817 4.167 -18.604 1.00 0.00 H new ATOM 0 HA ALA A 47 14.006 5.187 -20.989 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.329 2.743 -21.377 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.761 3.185 -19.708 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.205 2.389 -20.044 1.00 0.00 H new ATOM 725 N LEU A 48 10.942 4.015 -21.234 1.00 0.00 N ATOM 726 CA LEU A 48 9.826 3.898 -22.163 1.00 0.00 C ATOM 727 C LEU A 48 9.418 5.263 -22.710 1.00 0.00 C ATOM 728 O LEU A 48 8.849 5.324 -23.792 1.00 0.00 O ATOM 729 CB LEU A 48 8.637 3.227 -21.476 1.00 0.00 C ATOM 730 CG LEU A 48 8.900 1.744 -21.206 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.796 1.202 -20.309 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.944 0.917 -22.484 1.00 0.00 C ATOM 0 H LEU A 48 10.707 3.807 -20.264 1.00 0.00 H new ATOM 0 HA LEU A 48 10.148 3.281 -23.002 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.426 3.736 -20.535 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.750 3.331 -22.101 1.00 0.00 H new ATOM 0 HG LEU A 48 9.876 1.665 -20.727 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.974 0.145 -20.111 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.789 1.752 -19.368 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.833 1.320 -20.805 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.133 -0.127 -22.235 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.989 0.999 -23.003 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.741 1.287 -23.129 1.00 0.00 H new ATOM 744 N ILE A 49 9.696 6.356 -21.996 1.00 0.00 N ATOM 745 CA ILE A 49 9.449 7.690 -22.534 1.00 0.00 C ATOM 746 C ILE A 49 10.460 7.968 -23.638 1.00 0.00 C ATOM 747 O ILE A 49 10.090 8.401 -24.725 1.00 0.00 O ATOM 748 CB ILE A 49 9.626 8.725 -21.408 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.371 8.874 -20.543 1.00 0.00 C ATOM 750 CG2 ILE A 49 9.968 10.097 -21.988 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.211 7.724 -19.554 1.00 0.00 C ATOM 0 H ILE A 49 10.088 6.342 -21.054 1.00 0.00 H new ATOM 0 HA ILE A 49 8.437 7.753 -22.934 1.00 0.00 H new ATOM 0 HB ILE A 49 10.439 8.356 -20.783 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.418 9.816 -19.997 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.492 8.922 -21.186 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.089 10.815 -21.177 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.896 10.031 -22.556 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.163 10.425 -22.646 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.307 7.875 -18.964 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.136 6.783 -20.099 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.076 7.691 -18.891 1.00 0.00 H new ATOM 763 N LYS A 50 11.738 7.719 -23.349 1.00 0.00 N ATOM 764 CA LYS A 50 12.818 7.877 -24.300 1.00 0.00 C ATOM 765 C LYS A 50 12.725 6.908 -25.483 1.00 0.00 C ATOM 766 O LYS A 50 13.443 7.076 -26.467 1.00 0.00 O ATOM 767 CB LYS A 50 14.114 7.708 -23.520 1.00 0.00 C ATOM 768 CG LYS A 50 14.920 8.994 -23.586 1.00 0.00 C ATOM 769 CD LYS A 50 14.225 10.106 -22.803 1.00 0.00 C ATOM 770 CE LYS A 50 14.349 9.849 -21.311 1.00 0.00 C ATOM 771 NZ LYS A 50 14.161 11.101 -20.554 1.00 0.00 N ATOM 0 H LYS A 50 12.047 7.398 -22.432 1.00 0.00 H new ATOM 0 HA LYS A 50 12.766 8.864 -24.760 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.895 7.457 -22.482 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.694 6.882 -23.933 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.918 8.825 -23.180 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.046 9.298 -24.625 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.669 11.070 -23.052 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.173 10.158 -23.085 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.607 9.114 -21.000 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.329 9.426 -21.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.114 10.888 -19.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.960 11.741 -20.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.276 11.558 -20.854 1.00 0.00 H new ATOM 785 N LEU A 51 11.849 5.902 -25.403 1.00 0.00 N ATOM 786 CA LEU A 51 11.549 5.005 -26.505 1.00 0.00 C ATOM 787 C LEU A 51 10.218 5.424 -27.124 1.00 0.00 C ATOM 788 O LEU A 51 9.924 5.096 -28.274 1.00 0.00 O ATOM 789 CB LEU A 51 11.429 3.585 -25.955 1.00 0.00 C ATOM 790 CG LEU A 51 12.765 2.980 -25.506 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.464 1.718 -24.698 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.633 2.586 -26.698 1.00 0.00 C ATOM 0 H LEU A 51 11.324 5.691 -24.554 1.00 0.00 H new ATOM 0 HA LEU A 51 12.335 5.045 -27.259 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.741 3.590 -25.110 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.990 2.945 -26.720 1.00 0.00 H new ATOM 0 HG LEU A 51 13.303 3.723 -24.918 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.399 1.267 -24.366 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.858 1.978 -23.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.920 1.008 -25.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.571 2.161 -26.340 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.107 1.847 -27.303 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.842 3.468 -27.304 1.00 0.00 H new ATOM 804 N GLY A 52 9.415 6.155 -26.344 1.00 0.00 N ATOM 805 CA GLY A 52 8.142 6.723 -26.745 1.00 0.00 C ATOM 806 C GLY A 52 6.991 5.740 -26.557 1.00 0.00 C ATOM 807 O GLY A 52 5.892 5.954 -27.067 1.00 0.00 O ATOM 0 H GLY A 52 9.653 6.371 -25.376 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.948 7.624 -26.163 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.193 7.025 -27.791 1.00 0.00 H new ATOM 811 N GLU A 53 7.244 4.657 -25.823 1.00 0.00 N ATOM 812 CA GLU A 53 6.240 3.686 -25.411 1.00 0.00 C ATOM 813 C GLU A 53 5.565 4.177 -24.151 1.00 0.00 C ATOM 814 O GLU A 53 5.350 3.443 -23.188 1.00 0.00 O ATOM 815 CB GLU A 53 6.874 2.307 -25.222 1.00 0.00 C ATOM 816 CG GLU A 53 7.901 2.007 -26.314 1.00 0.00 C ATOM 817 CD GLU A 53 8.206 0.511 -26.390 1.00 0.00 C ATOM 818 OE1 GLU A 53 7.351 -0.224 -26.928 1.00 0.00 O ATOM 819 OE2 GLU A 53 9.293 0.112 -25.912 1.00 0.00 O ATOM 0 H GLU A 53 8.181 4.428 -25.491 1.00 0.00 H new ATOM 0 HA GLU A 53 5.483 3.582 -26.188 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.355 2.258 -24.245 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.096 1.543 -25.233 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.524 2.353 -27.276 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.820 2.558 -26.114 1.00 0.00 H new ATOM 826 N TYR A 54 5.237 5.465 -24.200 1.00 0.00 N ATOM 827 CA TYR A 54 4.487 6.152 -23.191 1.00 0.00 C ATOM 828 C TYR A 54 3.307 5.312 -22.719 1.00 0.00 C ATOM 829 O TYR A 54 2.986 5.314 -21.538 1.00 0.00 O ATOM 830 CB TYR A 54 3.944 7.407 -23.841 1.00 0.00 C ATOM 831 CG TYR A 54 4.944 8.318 -24.523 1.00 0.00 C ATOM 832 CD1 TYR A 54 5.952 8.940 -23.774 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.869 8.542 -25.906 1.00 0.00 C ATOM 834 CE1 TYR A 54 6.858 9.812 -24.395 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.791 9.390 -26.539 1.00 0.00 C ATOM 836 CZ TYR A 54 6.789 10.032 -25.785 1.00 0.00 C ATOM 837 OH TYR A 54 7.679 10.860 -26.397 1.00 0.00 O ATOM 0 H TYR A 54 5.503 6.068 -24.979 1.00 0.00 H new ATOM 0 HA TYR A 54 5.123 6.363 -22.331 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.198 7.111 -24.579 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.425 7.986 -23.077 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.031 8.747 -22.714 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.097 8.059 -26.487 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.610 10.316 -23.806 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.734 9.549 -27.606 1.00 0.00 H new ATOM 0 HH TYR A 54 7.486 10.895 -27.357 1.00 0.00 H new ATOM 847 N THR A 55 2.654 4.587 -23.635 1.00 0.00 N ATOM 848 CA THR A 55 1.474 3.809 -23.292 1.00 0.00 C ATOM 849 C THR A 55 1.782 2.857 -22.149 1.00 0.00 C ATOM 850 O THR A 55 0.969 2.675 -21.242 1.00 0.00 O ATOM 851 CB THR A 55 1.000 2.984 -24.485 1.00 0.00 C ATOM 852 OG1 THR A 55 1.239 3.641 -25.706 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.489 2.729 -24.318 1.00 0.00 C ATOM 0 H THR A 55 2.928 4.528 -24.616 1.00 0.00 H new ATOM 0 HA THR A 55 0.694 4.511 -22.998 1.00 0.00 H new ATOM 0 HB THR A 55 1.557 2.047 -24.512 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.924 3.081 -26.446 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.854 2.140 -25.159 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.663 2.183 -23.391 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.020 3.681 -24.284 1.00 0.00 H new ATOM 861 N GLN A 56 2.966 2.252 -22.208 1.00 0.00 N ATOM 862 CA GLN A 56 3.438 1.312 -21.216 1.00 0.00 C ATOM 863 C GLN A 56 4.008 2.058 -20.017 1.00 0.00 C ATOM 864 O GLN A 56 3.828 1.640 -18.877 1.00 0.00 O ATOM 865 CB GLN A 56 4.521 0.454 -21.866 1.00 0.00 C ATOM 866 CG GLN A 56 4.015 -0.227 -23.139 1.00 0.00 C ATOM 867 CD GLN A 56 2.756 -1.037 -22.882 1.00 0.00 C ATOM 868 OE1 GLN A 56 2.813 -2.197 -22.481 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.604 -0.422 -23.118 1.00 0.00 N ATOM 0 H GLN A 56 3.631 2.410 -22.965 1.00 0.00 H new ATOM 0 HA GLN A 56 2.618 0.686 -20.865 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.384 1.076 -22.104 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.859 -0.303 -21.158 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.813 0.527 -23.899 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.793 -0.880 -23.536 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.599 0.542 -23.450 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.723 -0.914 -22.967 1.00 0.00 H new ATOM 878 N ALA A 57 4.694 3.166 -20.284 1.00 0.00 N ATOM 879 CA ALA A 57 5.265 4.016 -19.258 1.00 0.00 C ATOM 880 C ALA A 57 4.215 4.463 -18.246 1.00 0.00 C ATOM 881 O ALA A 57 4.477 4.483 -17.046 1.00 0.00 O ATOM 882 CB ALA A 57 5.856 5.242 -19.955 1.00 0.00 C ATOM 0 H ALA A 57 4.868 3.498 -21.233 1.00 0.00 H new ATOM 0 HA ALA A 57 6.026 3.460 -18.711 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.296 5.906 -19.211 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.625 4.925 -20.659 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.068 5.770 -20.492 1.00 0.00 H new ATOM 888 N ILE A 58 3.023 4.819 -18.733 1.00 0.00 N ATOM 889 CA ILE A 58 1.925 5.262 -17.887 1.00 0.00 C ATOM 890 C ILE A 58 1.540 4.136 -16.928 1.00 0.00 C ATOM 891 O ILE A 58 1.195 4.399 -15.777 1.00 0.00 O ATOM 892 CB ILE A 58 0.741 5.636 -18.785 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.118 6.786 -19.720 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.493 6.075 -17.997 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.286 6.724 -20.998 1.00 0.00 C ATOM 0 H ILE A 58 2.798 4.806 -19.728 1.00 0.00 H new ATOM 0 HA ILE A 58 2.219 6.131 -17.298 1.00 0.00 H new ATOM 0 HB ILE A 58 0.500 4.731 -19.343 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.956 7.740 -19.218 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.179 6.731 -19.965 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.296 6.326 -18.689 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.816 5.263 -17.345 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.247 6.949 -17.393 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.565 7.548 -21.654 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.470 5.778 -21.506 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.772 6.802 -20.748 1.00 0.00 H new ATOM 907 N GLN A 59 1.596 2.881 -17.398 1.00 0.00 N ATOM 908 CA GLN A 59 1.253 1.731 -16.590 1.00 0.00 C ATOM 909 C GLN A 59 2.312 1.459 -15.531 1.00 0.00 C ATOM 910 O GLN A 59 1.980 1.061 -14.420 1.00 0.00 O ATOM 911 CB GLN A 59 1.134 0.507 -17.490 1.00 0.00 C ATOM 912 CG GLN A 59 0.131 0.695 -18.620 1.00 0.00 C ATOM 913 CD GLN A 59 -1.142 1.360 -18.137 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.828 0.856 -17.252 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.463 2.503 -18.726 1.00 0.00 N ATOM 0 H GLN A 59 1.882 2.649 -18.349 1.00 0.00 H new ATOM 0 HA GLN A 59 0.308 1.938 -16.089 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.112 0.278 -17.914 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.838 -0.352 -16.888 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.580 1.299 -19.408 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.109 -0.274 -19.058 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.864 2.886 -19.457 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.309 3.000 -18.448 1.00 0.00 H new ATOM 924 N MET A 60 3.587 1.675 -15.873 1.00 0.00 N ATOM 925 CA MET A 60 4.690 1.442 -14.944 1.00 0.00 C ATOM 926 C MET A 60 4.623 2.419 -13.778 1.00 0.00 C ATOM 927 O MET A 60 4.810 2.030 -12.626 1.00 0.00 O ATOM 928 CB MET A 60 6.033 1.646 -15.655 1.00 0.00 C ATOM 929 CG MET A 60 6.314 0.717 -16.836 1.00 0.00 C ATOM 930 SD MET A 60 6.174 -1.056 -16.513 1.00 0.00 S ATOM 931 CE MET A 60 4.464 -1.286 -17.044 1.00 0.00 C ATOM 0 H MET A 60 3.878 2.012 -16.791 1.00 0.00 H new ATOM 0 HA MET A 60 4.606 0.419 -14.578 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.081 2.676 -16.009 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.831 1.523 -14.923 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.627 0.973 -17.643 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.322 0.920 -17.198 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.294 -2.337 -17.278 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.790 -0.979 -16.244 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.274 -0.681 -17.931 1.00 0.00 H new ATOM 941 N CYS A 61 4.353 3.693 -14.066 1.00 0.00 N ATOM 942 CA CYS A 61 4.390 4.721 -13.045 1.00 0.00 C ATOM 943 C CYS A 61 3.262 4.505 -12.031 1.00 0.00 C ATOM 944 O CYS A 61 3.504 4.409 -10.831 1.00 0.00 O ATOM 945 CB CYS A 61 4.296 6.078 -13.733 1.00 0.00 C ATOM 946 SG CYS A 61 5.759 6.302 -14.765 1.00 0.00 S ATOM 0 H CYS A 61 4.108 4.029 -14.997 1.00 0.00 H new ATOM 0 HA CYS A 61 5.324 4.676 -12.485 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.393 6.133 -14.340 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.230 6.874 -12.992 1.00 0.00 H new ATOM 0 HG CYS A 61 5.598 5.670 -15.890 1.00 0.00 H new ATOM 952 N GLN A 62 2.015 4.419 -12.489 1.00 0.00 N ATOM 953 CA GLN A 62 0.914 4.110 -11.587 1.00 0.00 C ATOM 954 C GLN A 62 1.103 2.791 -10.818 1.00 0.00 C ATOM 955 O GLN A 62 0.572 2.660 -9.719 1.00 0.00 O ATOM 956 CB GLN A 62 -0.414 4.164 -12.337 1.00 0.00 C ATOM 957 CG GLN A 62 -0.469 3.230 -13.545 1.00 0.00 C ATOM 958 CD GLN A 62 -1.405 2.062 -13.288 1.00 0.00 C ATOM 959 OE1 GLN A 62 -2.548 2.058 -13.734 1.00 0.00 O ATOM 960 NE2 GLN A 62 -0.927 1.060 -12.560 1.00 0.00 N ATOM 0 H GLN A 62 1.747 4.557 -13.463 1.00 0.00 H new ATOM 0 HA GLN A 62 0.903 4.880 -10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.221 3.906 -11.651 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.593 5.186 -12.670 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.805 3.783 -14.422 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.531 2.857 -13.767 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.029 1.098 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.515 0.252 -12.355 1.00 0.00 H new ATOM 969 N GLN A 63 1.845 1.816 -11.363 1.00 0.00 N ATOM 970 CA GLN A 63 2.208 0.598 -10.642 1.00 0.00 C ATOM 971 C GLN A 63 3.162 0.900 -9.494 1.00 0.00 C ATOM 972 O GLN A 63 2.944 0.421 -8.388 1.00 0.00 O ATOM 973 CB GLN A 63 2.917 -0.348 -11.615 1.00 0.00 C ATOM 974 CG GLN A 63 2.231 -1.700 -11.753 1.00 0.00 C ATOM 975 CD GLN A 63 0.807 -1.583 -12.276 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.144 -1.533 -11.506 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.650 -1.535 -13.594 1.00 0.00 N ATOM 0 H GLN A 63 2.208 1.854 -12.316 1.00 0.00 H new ATOM 0 HA GLN A 63 1.300 0.151 -10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.971 0.125 -12.595 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.942 -0.502 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.811 -2.330 -12.427 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.218 -2.197 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.464 -1.579 -14.207 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.285 -1.454 -13.994 1.00 0.00 H new ATOM 986 N GLY A 64 4.215 1.683 -9.729 1.00 0.00 N ATOM 987 CA GLY A 64 5.162 2.006 -8.677 1.00 0.00 C ATOM 988 C GLY A 64 4.456 2.473 -7.398 1.00 0.00 C ATOM 989 O GLY A 64 4.892 2.143 -6.299 1.00 0.00 O ATOM 0 H GLY A 64 4.428 2.100 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.772 1.130 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.839 2.787 -9.024 1.00 0.00 H new ATOM 993 N LEU A 65 3.366 3.237 -7.541 1.00 0.00 N ATOM 994 CA LEU A 65 2.615 3.820 -6.429 1.00 0.00 C ATOM 995 C LEU A 65 1.869 2.786 -5.587 1.00 0.00 C ATOM 996 O LEU A 65 1.212 3.147 -4.612 1.00 0.00 O ATOM 997 CB LEU A 65 1.613 4.833 -6.977 1.00 0.00 C ATOM 998 CG LEU A 65 2.339 5.966 -7.695 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.336 6.764 -8.518 1.00 0.00 C ATOM 1000 CD2 LEU A 65 3.027 6.898 -6.691 1.00 0.00 C ATOM 0 H LEU A 65 2.975 3.470 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 65 3.344 4.295 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.927 4.339 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.012 5.237 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 65 3.100 5.534 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.851 7.575 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.865 6.110 -9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.573 7.179 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.538 7.698 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.281 7.328 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.753 6.332 -6.107 1.00 0.00 H new ATOM 1012 N ARG A 66 1.957 1.507 -5.950 1.00 0.00 N ATOM 1013 CA ARG A 66 1.293 0.427 -5.250 1.00 0.00 C ATOM 1014 C ARG A 66 2.172 -0.026 -4.097 1.00 0.00 C ATOM 1015 O ARG A 66 1.726 -0.717 -3.180 1.00 0.00 O ATOM 1016 CB ARG A 66 1.169 -0.706 -6.256 1.00 0.00 C ATOM 1017 CG ARG A 66 0.242 -0.280 -7.382 1.00 0.00 C ATOM 1018 CD ARG A 66 0.155 -1.420 -8.382 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.507 -2.595 -7.799 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.175 -3.517 -8.500 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.292 -3.423 -9.821 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.734 -4.548 -7.875 1.00 0.00 N ATOM 0 H ARG A 66 2.503 1.195 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 66 0.322 0.730 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.150 -0.962 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.780 -1.600 -5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.747 -0.041 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.620 0.621 -7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.395 -1.091 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.157 -1.692 -8.714 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.453 -2.716 -6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.868 -2.638 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.805 -4.136 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.653 -4.635 -6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.244 -5.252 -8.408 1.00 0.00 H new ATOM 1036 N TYR A 67 3.435 0.385 -4.180 1.00 0.00 N ATOM 1037 CA TYR A 67 4.492 -0.050 -3.289 1.00 0.00 C ATOM 1038 C TYR A 67 5.181 1.078 -2.515 1.00 0.00 C ATOM 1039 O TYR A 67 5.968 0.794 -1.617 1.00 0.00 O ATOM 1040 CB TYR A 67 5.495 -0.755 -4.189 1.00 0.00 C ATOM 1041 CG TYR A 67 4.840 -1.605 -5.241 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.161 -2.776 -4.877 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.892 -1.201 -6.580 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.545 -3.565 -5.856 1.00 0.00 C ATOM 1045 CE2 TYR A 67 4.237 -1.961 -7.555 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.570 -3.154 -7.206 1.00 0.00 C ATOM 1047 OH TYR A 67 2.955 -3.901 -8.163 1.00 0.00 O ATOM 0 H TYR A 67 3.753 1.046 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 67 4.070 -0.686 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.128 -0.011 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.147 -1.380 -3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.113 -3.070 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.434 -0.309 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.052 -4.485 -5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.242 -1.632 -8.584 1.00 0.00 H new ATOM 0 HH TYR A 67 3.589 -4.095 -8.884 1.00 0.00 H new ATOM 1057 N THR A 68 4.903 2.345 -2.842 1.00 0.00 N ATOM 1058 CA THR A 68 5.569 3.493 -2.221 1.00 0.00 C ATOM 1059 C THR A 68 5.082 3.780 -0.799 1.00 0.00 C ATOM 1060 O THR A 68 5.181 4.912 -0.329 1.00 0.00 O ATOM 1061 CB THR A 68 5.409 4.732 -3.104 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.046 4.958 -3.383 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.167 4.541 -4.415 1.00 0.00 C ATOM 0 H THR A 68 4.210 2.602 -3.545 1.00 0.00 H new ATOM 0 HA THR A 68 6.625 3.236 -2.135 1.00 0.00 H new ATOM 0 HB THR A 68 5.815 5.592 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.744 5.761 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.047 5.428 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.225 4.386 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.771 3.673 -4.941 1.00 0.00 H new ATOM 1071 N SER A 69 4.551 2.768 -0.109 1.00 0.00 N ATOM 1072 CA SER A 69 4.030 2.881 1.250 1.00 0.00 C ATOM 1073 C SER A 69 5.102 3.197 2.298 1.00 0.00 C ATOM 1074 O SER A 69 4.797 3.233 3.491 1.00 0.00 O ATOM 1075 CB SER A 69 3.370 1.561 1.623 1.00 0.00 C ATOM 1076 OG SER A 69 2.260 1.321 0.782 1.00 0.00 O ATOM 0 H SER A 69 4.471 1.826 -0.491 1.00 0.00 H new ATOM 0 HA SER A 69 3.327 3.714 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.089 0.747 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.049 1.587 2.664 1.00 0.00 H new ATOM 0 HG SER A 69 1.842 0.469 1.027 1.00 0.00 H new ATOM 1082 N THR A 70 6.349 3.423 1.880 1.00 0.00 N ATOM 1083 CA THR A 70 7.467 3.655 2.788 1.00 0.00 C ATOM 1084 C THR A 70 8.403 4.750 2.272 1.00 0.00 C ATOM 1085 O THR A 70 8.401 5.077 1.087 1.00 0.00 O ATOM 1086 CB THR A 70 8.214 2.335 3.005 1.00 0.00 C ATOM 1087 OG1 THR A 70 9.378 2.553 3.774 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.598 1.697 1.671 1.00 0.00 C ATOM 0 H THR A 70 6.610 3.450 0.894 1.00 0.00 H new ATOM 0 HA THR A 70 7.079 4.011 3.742 1.00 0.00 H new ATOM 0 HB THR A 70 7.547 1.657 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.846 1.702 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.127 0.762 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.697 1.497 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.244 2.377 1.115 1.00 0.00 H new ATOM 1096 N ALA A 71 9.208 5.325 3.173 1.00 0.00 N ATOM 1097 CA ALA A 71 10.063 6.466 2.870 1.00 0.00 C ATOM 1098 C ALA A 71 11.336 6.091 2.108 1.00 0.00 C ATOM 1099 O ALA A 71 12.089 6.980 1.717 1.00 0.00 O ATOM 1100 CB ALA A 71 10.417 7.187 4.169 1.00 0.00 C ATOM 0 H ALA A 71 9.281 5.005 4.139 1.00 0.00 H new ATOM 0 HA ALA A 71 9.499 7.123 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.057 8.042 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.504 7.533 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.943 6.502 4.834 1.00 0.00 H new ATOM 1106 N GLU A 72 11.604 4.801 1.881 1.00 0.00 N ATOM 1107 CA GLU A 72 12.681 4.401 0.985 1.00 0.00 C ATOM 1108 C GLU A 72 12.221 4.509 -0.463 1.00 0.00 C ATOM 1109 O GLU A 72 13.022 4.366 -1.386 1.00 0.00 O ATOM 1110 CB GLU A 72 13.100 2.962 1.267 1.00 0.00 C ATOM 1111 CG GLU A 72 11.927 1.994 1.205 1.00 0.00 C ATOM 1112 CD GLU A 72 12.348 0.585 1.621 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.816 -0.167 0.737 1.00 0.00 O ATOM 1114 OE2 GLU A 72 12.198 0.267 2.821 1.00 0.00 O ATOM 0 H GLU A 72 11.092 4.026 2.303 1.00 0.00 H new ATOM 0 HA GLU A 72 13.530 5.064 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.857 2.658 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.561 2.907 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.128 2.345 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.524 1.972 0.192 1.00 0.00 H new ATOM 1121 N HIS A 73 10.924 4.766 -0.658 1.00 0.00 N ATOM 1122 CA HIS A 73 10.298 4.760 -1.967 1.00 0.00 C ATOM 1123 C HIS A 73 9.730 6.126 -2.340 1.00 0.00 C ATOM 1124 O HIS A 73 9.205 6.297 -3.442 1.00 0.00 O ATOM 1125 CB HIS A 73 9.200 3.699 -1.966 1.00 0.00 C ATOM 1126 CG HIS A 73 9.710 2.282 -1.955 1.00 0.00 C ATOM 1127 ND1 HIS A 73 8.923 1.145 -1.778 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.011 1.901 -2.119 1.00 0.00 C ATOM 1129 CE1 HIS A 73 9.767 0.105 -1.840 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.030 0.527 -2.043 1.00 0.00 N ATOM 0 H HIS A 73 10.280 4.985 0.102 1.00 0.00 H new ATOM 0 HA HIS A 73 11.052 4.526 -2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.564 3.851 -1.094 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.573 3.841 -2.846 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.914 1.111 -1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.859 2.551 -2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.474 -0.930 -1.741 1.00 0.00 H new ATOM 1138 N VAL A 74 9.833 7.102 -1.436 1.00 0.00 N ATOM 1139 CA VAL A 74 9.386 8.468 -1.683 1.00 0.00 C ATOM 1140 C VAL A 74 10.107 9.071 -2.885 1.00 0.00 C ATOM 1141 O VAL A 74 9.569 9.931 -3.580 1.00 0.00 O ATOM 1142 CB VAL A 74 9.657 9.293 -0.425 1.00 0.00 C ATOM 1143 CG1 VAL A 74 11.151 9.367 -0.107 1.00 0.00 C ATOM 1144 CG2 VAL A 74 9.150 10.716 -0.602 1.00 0.00 C ATOM 0 H VAL A 74 10.232 6.963 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 74 8.320 8.470 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 74 9.135 8.796 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.302 9.962 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.539 8.361 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.678 9.831 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.351 11.289 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.659 11.181 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.076 10.699 -0.790 1.00 0.00 H new ATOM 1154 N ALA A 75 11.333 8.608 -3.120 1.00 0.00 N ATOM 1155 CA ALA A 75 12.190 9.070 -4.199 1.00 0.00 C ATOM 1156 C ALA A 75 11.552 8.806 -5.547 1.00 0.00 C ATOM 1157 O ALA A 75 11.678 9.580 -6.491 1.00 0.00 O ATOM 1158 CB ALA A 75 13.455 8.226 -4.162 1.00 0.00 C ATOM 0 H ALA A 75 11.765 7.882 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 75 12.373 10.137 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.127 8.543 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.949 8.353 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.196 7.176 -4.301 1.00 0.00 H new ATOM 1164 N ILE A 76 10.860 7.674 -5.601 1.00 0.00 N ATOM 1165 CA ILE A 76 10.320 7.128 -6.818 1.00 0.00 C ATOM 1166 C ILE A 76 8.869 7.535 -6.950 1.00 0.00 C ATOM 1167 O ILE A 76 8.373 7.758 -8.049 1.00 0.00 O ATOM 1168 CB ILE A 76 10.434 5.623 -6.707 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.900 5.243 -6.543 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.836 5.007 -7.963 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.693 5.301 -7.842 1.00 0.00 C ATOM 0 H ILE A 76 10.660 7.106 -4.777 1.00 0.00 H new ATOM 0 HA ILE A 76 10.856 7.493 -7.694 1.00 0.00 H new ATOM 0 HB ILE A 76 9.892 5.250 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.361 5.911 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.962 4.235 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.907 3.921 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.789 5.298 -8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.383 5.360 -8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.728 5.018 -7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.257 4.612 -8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.662 6.314 -8.242 1.00 0.00 H new ATOM 1183 N ARG A 77 8.188 7.633 -5.809 1.00 0.00 N ATOM 1184 CA ARG A 77 6.828 8.148 -5.760 1.00 0.00 C ATOM 1185 C ARG A 77 6.772 9.518 -6.423 1.00 0.00 C ATOM 1186 O ARG A 77 5.738 9.934 -6.942 1.00 0.00 O ATOM 1187 CB ARG A 77 6.396 8.249 -4.305 1.00 0.00 C ATOM 1188 CG ARG A 77 4.886 8.459 -4.217 1.00 0.00 C ATOM 1189 CD ARG A 77 4.595 9.148 -2.892 1.00 0.00 C ATOM 1190 NE ARG A 77 3.154 9.332 -2.692 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.446 10.358 -3.172 1.00 0.00 C ATOM 1192 NH1 ARG A 77 3.034 11.312 -3.892 1.00 0.00 N ATOM 1193 NH2 ARG A 77 1.141 10.436 -2.932 1.00 0.00 N ATOM 0 H ARG A 77 8.563 7.359 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 77 6.155 7.477 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.676 7.341 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.915 9.076 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.535 9.067 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.362 7.505 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.005 8.556 -2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.094 10.116 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 77 2.657 8.627 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.035 11.264 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.483 12.091 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.680 9.712 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.601 11.220 -3.299 1.00 0.00 H new ATOM 1207 N SER A 78 7.906 10.211 -6.404 1.00 0.00 N ATOM 1208 CA SER A 78 8.060 11.521 -7.013 1.00 0.00 C ATOM 1209 C SER A 78 8.154 11.412 -8.533 1.00 0.00 C ATOM 1210 O SER A 78 7.785 12.342 -9.249 1.00 0.00 O ATOM 1211 CB SER A 78 9.359 12.110 -6.461 1.00 0.00 C ATOM 1212 OG SER A 78 9.499 13.455 -6.859 1.00 0.00 O ATOM 0 H SER A 78 8.756 9.869 -5.956 1.00 0.00 H new ATOM 0 HA SER A 78 7.200 12.149 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.362 12.044 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.209 11.529 -6.817 1.00 0.00 H new ATOM 0 HG SER A 78 10.334 13.818 -6.497 1.00 0.00 H new ATOM 1218 N LYS A 79 8.648 10.274 -9.027 1.00 0.00 N ATOM 1219 CA LYS A 79 8.851 10.042 -10.447 1.00 0.00 C ATOM 1220 C LYS A 79 7.619 9.401 -11.065 1.00 0.00 C ATOM 1221 O LYS A 79 7.274 9.697 -12.202 1.00 0.00 O ATOM 1222 CB LYS A 79 10.054 9.119 -10.620 1.00 0.00 C ATOM 1223 CG LYS A 79 11.297 9.834 -10.100 1.00 0.00 C ATOM 1224 CD LYS A 79 12.534 8.954 -10.246 1.00 0.00 C ATOM 1225 CE LYS A 79 13.729 9.825 -9.887 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.996 9.147 -10.205 1.00 0.00 N ATOM 0 H LYS A 79 8.919 9.484 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 79 9.029 10.993 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.898 8.188 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.181 8.856 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.442 10.765 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.157 10.100 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.474 8.088 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.622 8.575 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.672 10.768 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.700 10.067 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.684 9.843 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.371 8.693 -9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.830 8.425 -10.935 1.00 0.00 H new ATOM 1240 N LEU A 80 6.950 8.525 -10.316 1.00 0.00 N ATOM 1241 CA LEU A 80 5.732 7.862 -10.756 1.00 0.00 C ATOM 1242 C LEU A 80 4.617 8.868 -11.030 1.00 0.00 C ATOM 1243 O LEU A 80 3.551 8.495 -11.499 1.00 0.00 O ATOM 1244 CB LEU A 80 5.289 6.909 -9.652 1.00 0.00 C ATOM 1245 CG LEU A 80 6.078 5.596 -9.575 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.438 5.578 -10.270 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.220 5.219 -8.107 1.00 0.00 C ATOM 0 H LEU A 80 7.245 8.256 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 80 5.933 7.326 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.373 7.422 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.235 6.674 -9.797 1.00 0.00 H new ATOM 0 HG LEU A 80 5.501 4.863 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.897 4.597 -10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.307 5.785 -11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.082 6.339 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.778 4.287 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.752 6.010 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.231 5.090 -7.667 1.00 0.00 H new ATOM 1259 N GLN A 81 4.873 10.139 -10.730 1.00 0.00 N ATOM 1260 CA GLN A 81 4.024 11.274 -10.984 1.00 0.00 C ATOM 1261 C GLN A 81 4.550 12.198 -12.086 1.00 0.00 C ATOM 1262 O GLN A 81 3.792 13.016 -12.606 1.00 0.00 O ATOM 1263 CB GLN A 81 4.086 12.006 -9.646 1.00 0.00 C ATOM 1264 CG GLN A 81 2.957 11.639 -8.710 1.00 0.00 C ATOM 1265 CD GLN A 81 2.558 10.181 -8.755 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.519 9.827 -9.301 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.392 9.329 -8.178 1.00 0.00 N ATOM 0 H GLN A 81 5.743 10.409 -10.271 1.00 0.00 H new ATOM 0 HA GLN A 81 3.033 10.974 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.037 11.783 -9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.064 13.081 -9.826 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.249 11.892 -7.691 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.087 12.249 -8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.245 9.671 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.181 8.331 -8.176 1.00 0.00 H new ATOM 1276 N TYR A 82 5.830 12.086 -12.450 1.00 0.00 N ATOM 1277 CA TYR A 82 6.431 12.935 -13.476 1.00 0.00 C ATOM 1278 C TYR A 82 6.257 12.338 -14.869 1.00 0.00 C ATOM 1279 O TYR A 82 5.470 12.839 -15.672 1.00 0.00 O ATOM 1280 CB TYR A 82 7.922 13.099 -13.189 1.00 0.00 C ATOM 1281 CG TYR A 82 8.699 13.703 -14.336 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.577 15.066 -14.634 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.544 12.891 -15.109 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.310 15.624 -15.692 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.291 13.438 -16.160 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.175 14.814 -16.457 1.00 0.00 C ATOM 1287 OH TYR A 82 10.899 15.356 -17.478 1.00 0.00 O ATOM 0 H TYR A 82 6.474 11.408 -12.043 1.00 0.00 H new ATOM 0 HA TYR A 82 5.927 13.901 -13.450 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.046 13.727 -12.307 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.346 12.124 -12.948 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.917 15.689 -14.048 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.619 11.836 -14.891 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.212 16.675 -15.921 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.952 12.811 -16.740 1.00 0.00 H new ATOM 0 HH TYR A 82 11.444 14.658 -17.899 1.00 0.00 H new ATOM 1297 N ARG A 83 6.995 11.261 -15.161 1.00 0.00 N ATOM 1298 CA ARG A 83 6.953 10.625 -16.471 1.00 0.00 C ATOM 1299 C ARG A 83 5.658 9.842 -16.642 1.00 0.00 C ATOM 1300 O ARG A 83 5.399 9.297 -17.711 1.00 0.00 O ATOM 1301 CB ARG A 83 8.225 9.816 -16.762 1.00 0.00 C ATOM 1302 CG ARG A 83 8.361 8.488 -16.017 1.00 0.00 C ATOM 1303 CD ARG A 83 8.797 8.685 -14.567 1.00 0.00 C ATOM 1304 NE ARG A 83 10.198 9.123 -14.468 1.00 0.00 N ATOM 1305 CZ ARG A 83 11.192 8.386 -13.964 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.977 7.143 -13.553 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.413 8.901 -13.869 1.00 0.00 N ATOM 0 H ARG A 83 7.630 10.814 -14.500 1.00 0.00 H new ATOM 0 HA ARG A 83 6.944 11.400 -17.237 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.267 9.615 -17.832 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.089 10.435 -16.520 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.407 7.961 -16.040 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.086 7.857 -16.531 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.152 9.424 -14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.670 7.751 -14.020 1.00 0.00 H new ATOM 0 HE ARG A 83 10.427 10.057 -14.809 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.043 6.738 -13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.746 6.592 -13.170 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.589 9.856 -14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.174 8.341 -13.485 1.00 0.00 H new ATOM 1321 N LEU A 84 4.846 9.789 -15.583 1.00 0.00 N ATOM 1322 CA LEU A 84 3.490 9.286 -15.678 1.00 0.00 C ATOM 1323 C LEU A 84 2.670 10.255 -16.517 1.00 0.00 C ATOM 1324 O LEU A 84 1.857 9.825 -17.326 1.00 0.00 O ATOM 1325 CB LEU A 84 2.879 9.214 -14.271 1.00 0.00 C ATOM 1326 CG LEU A 84 1.347 9.175 -14.242 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.774 7.999 -15.039 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.909 9.086 -12.780 1.00 0.00 C ATOM 0 H LEU A 84 5.115 10.093 -14.647 1.00 0.00 H new ATOM 0 HA LEU A 84 3.491 8.295 -16.133 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.262 8.326 -13.768 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.218 10.076 -13.697 1.00 0.00 H new ATOM 0 HG LEU A 84 0.964 10.080 -14.714 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.314 8.019 -14.985 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.087 8.078 -16.080 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.141 7.062 -14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.179 9.057 -12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.319 8.181 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.275 9.957 -12.237 1.00 0.00 H new ATOM 1340 N GLU A 85 2.887 11.556 -16.317 1.00 0.00 N ATOM 1341 CA GLU A 85 2.029 12.587 -16.876 1.00 0.00 C ATOM 1342 C GLU A 85 2.440 12.955 -18.292 1.00 0.00 C ATOM 1343 O GLU A 85 1.590 13.162 -19.158 1.00 0.00 O ATOM 1344 CB GLU A 85 2.144 13.815 -15.992 1.00 0.00 C ATOM 1345 CG GLU A 85 1.434 13.550 -14.672 1.00 0.00 C ATOM 1346 CD GLU A 85 -0.082 13.486 -14.842 1.00 0.00 C ATOM 1347 OE1 GLU A 85 -0.664 14.511 -15.267 1.00 0.00 O ATOM 1348 OE2 GLU A 85 -0.651 12.411 -14.547 1.00 0.00 O ATOM 0 H GLU A 85 3.663 11.918 -15.763 1.00 0.00 H new ATOM 0 HA GLU A 85 1.006 12.213 -16.915 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.193 14.052 -15.813 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.702 14.678 -16.489 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.792 12.611 -14.250 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.686 14.336 -13.960 1.00 0.00 H new ATOM 1355 N LEU A 86 3.749 13.038 -18.524 1.00 0.00 N ATOM 1356 CA LEU A 86 4.261 13.449 -19.818 1.00 0.00 C ATOM 1357 C LEU A 86 3.989 12.392 -20.884 1.00 0.00 C ATOM 1358 O LEU A 86 3.724 12.725 -22.035 1.00 0.00 O ATOM 1359 CB LEU A 86 5.750 13.777 -19.663 1.00 0.00 C ATOM 1360 CG LEU A 86 6.701 12.579 -19.742 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.082 12.281 -21.193 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.976 12.927 -18.979 1.00 0.00 C ATOM 0 H LEU A 86 4.467 12.826 -17.832 1.00 0.00 H new ATOM 0 HA LEU A 86 3.744 14.344 -20.164 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.029 14.492 -20.437 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.897 14.273 -18.703 1.00 0.00 H new ATOM 0 HG LEU A 86 6.205 11.706 -19.317 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.758 11.426 -21.224 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.183 12.053 -21.766 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.577 13.151 -21.625 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.668 12.086 -19.023 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.442 13.804 -19.429 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.731 13.141 -17.939 1.00 0.00 H new ATOM 1374 N ALA A 87 4.059 11.116 -20.493 1.00 0.00 N ATOM 1375 CA ALA A 87 3.814 9.986 -21.349 1.00 0.00 C ATOM 1376 C ALA A 87 2.390 10.032 -21.898 1.00 0.00 C ATOM 1377 O ALA A 87 2.210 10.106 -23.105 1.00 0.00 O ATOM 1378 CB ALA A 87 4.044 8.730 -20.507 1.00 0.00 C ATOM 0 H ALA A 87 4.297 10.849 -19.538 1.00 0.00 H new ATOM 0 HA ALA A 87 4.484 9.992 -22.209 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.869 7.845 -21.118 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.071 8.720 -20.141 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.357 8.728 -19.661 1.00 0.00 H new ATOM 1384 N GLN A 88 1.374 9.995 -21.027 1.00 0.00 N ATOM 1385 CA GLN A 88 -0.032 10.054 -21.427 1.00 0.00 C ATOM 1386 C GLN A 88 -0.383 11.339 -22.167 1.00 0.00 C ATOM 1387 O GLN A 88 -1.408 11.409 -22.843 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.933 9.889 -20.220 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.533 10.849 -19.120 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.459 10.736 -17.921 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.600 11.190 -17.952 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -0.969 10.120 -16.852 1.00 0.00 N ATOM 0 H GLN A 88 1.508 9.923 -20.018 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.194 9.229 -22.121 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.969 10.067 -20.506 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.875 8.864 -19.854 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.492 10.643 -18.811 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.552 11.870 -19.501 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.016 9.756 -16.865 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.545 10.010 -16.018 1.00 0.00 H new ATOM 1401 N GLY A 89 0.470 12.354 -22.037 1.00 0.00 N ATOM 1402 CA GLY A 89 0.309 13.625 -22.720 1.00 0.00 C ATOM 1403 C GLY A 89 1.130 13.641 -24.009 1.00 0.00 C ATOM 1404 O GLY A 89 1.297 14.692 -24.623 1.00 0.00 O ATOM 0 H GLY A 89 1.300 12.311 -21.446 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.744 13.792 -22.949 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.627 14.439 -22.068 1.00 0.00 H new ATOM 1408 N ALA A 90 1.639 12.471 -24.406 1.00 0.00 N ATOM 1409 CA ALA A 90 2.489 12.317 -25.574 1.00 0.00 C ATOM 1410 C ALA A 90 2.238 11.023 -26.328 1.00 0.00 C ATOM 1411 O ALA A 90 2.614 10.929 -27.494 1.00 0.00 O ATOM 1412 CB ALA A 90 3.928 12.234 -25.090 1.00 0.00 C ATOM 0 H ALA A 90 1.465 11.595 -23.913 1.00 0.00 H new ATOM 0 HA ALA A 90 2.283 13.160 -26.233 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.593 12.118 -25.945 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.184 13.147 -24.552 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.039 11.378 -24.425 1.00 0.00 H new ATOM 1833 N VAL B 708 17.529 7.550 -12.581 1.00 0.00 N ATOM 1834 CA VAL B 708 16.794 6.293 -12.526 1.00 0.00 C ATOM 1835 C VAL B 708 16.201 5.968 -11.155 1.00 0.00 C ATOM 1836 O VAL B 708 14.978 5.895 -11.034 1.00 0.00 O ATOM 1837 CB VAL B 708 17.651 5.154 -13.086 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.350 5.612 -14.362 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.731 4.632 -12.146 1.00 0.00 C ATOM 0 HA VAL B 708 15.919 6.414 -13.165 1.00 0.00 H new ATOM 0 HB VAL B 708 16.946 4.340 -13.255 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.958 4.798 -14.756 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.604 5.899 -15.103 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.988 6.467 -14.140 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.282 3.828 -12.635 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.417 5.441 -11.895 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.268 4.253 -11.235 1.00 0.00 H new ATOM 1849 N ASP B 709 17.023 5.771 -10.123 1.00 0.00 N ATOM 1850 CA ASP B 709 16.534 5.381 -8.806 1.00 0.00 C ATOM 1851 C ASP B 709 16.183 6.600 -7.950 1.00 0.00 C ATOM 1852 O ASP B 709 15.689 6.392 -6.821 1.00 0.00 O ATOM 1853 CB ASP B 709 17.568 4.514 -8.080 1.00 0.00 C ATOM 1854 CG ASP B 709 18.934 5.195 -7.959 1.00 0.00 C ATOM 1855 OD1 ASP B 709 19.580 5.404 -9.009 1.00 0.00 O ATOM 1856 OD2 ASP B 709 19.318 5.502 -6.808 1.00 0.00 O ATOM 1857 OXT ASP B 709 16.410 7.736 -8.431 1.00 0.00 O ATOM 0 H ASP B 709 18.036 5.877 -10.178 1.00 0.00 H new ATOM 0 HA ASP B 709 15.624 4.800 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP B 709 17.198 4.273 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP B 709 17.683 3.571 -8.614 1.00 0.00 H new