USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 30:sc= -1.18! USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -171:sc= -5.45! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.46 X(o=-7.9,f=-8!) USER MOD Set 3.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 100 THR OG1 : rot 102:sc= 1.18 USER MOD Set 4.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 78 LYS NZ :NH3+ -155:sc= -0.0881 (180deg=-0.395) USER MOD Set 5.1: A 40 GLN : amide:sc= -0.0304 K(o=-2.9,f=-4.7) USER MOD Set 5.2: A 72 CYS SG : rot 26:sc= -2.84! USER MOD Set 6.1: A 27 THR OG1 : rot -173:sc= -4.7! USER MOD Set 6.2: A 88 ASN : amide:sc= -0.711 K(o=-5.4,f=-6.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.67 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 86:sc= 1.21 USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= -0.198 (180deg=-1.69!) USER MOD Single : A 48 CYS SG : rot -51:sc= -10.3! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -3.13 (180deg=-4.36!) USER MOD Single : A 66 THR OG1 : rot -46:sc= 0.895 USER MOD Single : A 71 ASN : amide:sc= -3.31 X(o=-3.3,f=-2.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.96! K(o=-5!,f=-2.4) USER MOD Single : A 86 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.61) USER MOD Single : A 87 GLN : amide:sc= -6.54! C(o=-6.5!,f=-6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -54:sc= 1.01 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.053) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.8!) USER MOD Single : A 111 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.1!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.795 4.059 -5.658 1.00 0.00 N ATOM 71 CA THR A 27 -18.489 3.975 -6.284 1.00 0.00 C ATOM 72 C THR A 27 -17.583 5.081 -5.746 1.00 0.00 C ATOM 73 O THR A 27 -16.368 4.914 -5.657 1.00 0.00 O ATOM 74 CB THR A 27 -18.630 4.057 -7.809 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.397 2.792 -8.401 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.688 5.043 -8.459 1.00 0.00 C ATOM 0 HA THR A 27 -18.031 3.016 -6.042 1.00 0.00 H new ATOM 0 HB THR A 27 -19.651 4.398 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.382 2.885 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.849 5.043 -9.537 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.877 6.041 -8.064 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.658 4.757 -8.246 1.00 0.00 H new ATOM 84 N LYS A 28 -18.189 6.206 -5.372 1.00 0.00 N ATOM 85 CA LYS A 28 -17.435 7.324 -4.823 1.00 0.00 C ATOM 86 C LYS A 28 -16.737 6.889 -3.541 1.00 0.00 C ATOM 87 O LYS A 28 -15.598 7.274 -3.275 1.00 0.00 O ATOM 88 CB LYS A 28 -18.360 8.513 -4.546 1.00 0.00 C ATOM 89 CG LYS A 28 -18.184 9.661 -5.528 1.00 0.00 C ATOM 90 CD LYS A 28 -18.202 11.007 -4.822 1.00 0.00 C ATOM 91 CE LYS A 28 -19.577 11.652 -4.890 1.00 0.00 C ATOM 92 NZ LYS A 28 -19.846 12.514 -3.706 1.00 0.00 N ATOM 0 H LYS A 28 -19.194 6.364 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.687 7.637 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.395 8.173 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.176 8.878 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.242 9.542 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.979 9.629 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.911 10.877 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.465 11.668 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.653 12.249 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.339 10.876 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.793 12.935 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.799 11.939 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.134 13.271 -3.658 1.00 0.00 H new ATOM 106 N GLU A 29 -17.429 6.064 -2.762 1.00 0.00 N ATOM 107 CA GLU A 29 -16.881 5.547 -1.518 1.00 0.00 C ATOM 108 C GLU A 29 -15.663 4.682 -1.810 1.00 0.00 C ATOM 109 O GLU A 29 -14.696 4.667 -1.048 1.00 0.00 O ATOM 110 CB GLU A 29 -17.939 4.731 -0.772 1.00 0.00 C ATOM 111 CG GLU A 29 -18.759 5.551 0.210 1.00 0.00 C ATOM 112 CD GLU A 29 -18.464 5.199 1.655 1.00 0.00 C ATOM 113 OE1 GLU A 29 -18.824 4.080 2.078 1.00 0.00 O ATOM 114 OE2 GLU A 29 -17.874 6.042 2.363 1.00 0.00 O ATOM 0 H GLU A 29 -18.373 5.740 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.580 6.385 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.610 4.272 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.448 3.920 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.558 6.610 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.819 5.395 0.011 1.00 0.00 H new ATOM 121 N LEU A 30 -15.718 3.969 -2.931 1.00 0.00 N ATOM 122 CA LEU A 30 -14.618 3.108 -3.344 1.00 0.00 C ATOM 123 C LEU A 30 -13.374 3.943 -3.622 1.00 0.00 C ATOM 124 O LEU A 30 -12.295 3.663 -3.099 1.00 0.00 O ATOM 125 CB LEU A 30 -15.018 2.301 -4.584 1.00 0.00 C ATOM 126 CG LEU A 30 -13.867 1.860 -5.493 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.997 0.834 -4.788 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.404 1.297 -6.800 1.00 0.00 C ATOM 0 H LEU A 30 -16.514 3.971 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.391 2.411 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.558 1.413 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.713 2.898 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.255 2.732 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.184 0.531 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.583 1.271 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.599 -0.038 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.572 0.989 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.039 0.436 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.987 2.062 -7.314 1.00 0.00 H new ATOM 140 N SER A 31 -13.535 4.978 -4.442 1.00 0.00 N ATOM 141 CA SER A 31 -12.427 5.863 -4.778 1.00 0.00 C ATOM 142 C SER A 31 -11.788 6.415 -3.507 1.00 0.00 C ATOM 143 O SER A 31 -10.612 6.773 -3.497 1.00 0.00 O ATOM 144 CB SER A 31 -12.913 7.014 -5.662 1.00 0.00 C ATOM 145 OG SER A 31 -13.328 6.541 -6.932 1.00 0.00 O ATOM 0 H SER A 31 -14.421 5.223 -4.885 1.00 0.00 H new ATOM 0 HA SER A 31 -11.681 5.290 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.741 7.528 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.113 7.744 -5.786 1.00 0.00 H new ATOM 0 HG SER A 31 -13.636 7.295 -7.477 1.00 0.00 H new ATOM 151 N ASN A 32 -12.571 6.465 -2.429 1.00 0.00 N ATOM 152 CA ASN A 32 -12.075 6.954 -1.151 1.00 0.00 C ATOM 153 C ASN A 32 -11.078 5.960 -0.571 1.00 0.00 C ATOM 154 O ASN A 32 -10.046 6.345 -0.022 1.00 0.00 O ATOM 155 CB ASN A 32 -13.232 7.181 -0.174 1.00 0.00 C ATOM 156 CG ASN A 32 -13.483 8.652 0.093 1.00 0.00 C ATOM 157 OD1 ASN A 32 -12.948 9.222 1.044 1.00 0.00 O ATOM 158 ND2 ASN A 32 -14.300 9.275 -0.748 1.00 0.00 N ATOM 0 H ASN A 32 -13.548 6.173 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.574 7.908 -1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.138 6.728 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.014 6.676 0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.506 10.266 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.721 8.763 -1.523 1.00 0.00 H new ATOM 165 N LEU A 33 -11.382 4.672 -0.724 1.00 0.00 N ATOM 166 CA LEU A 33 -10.497 3.622 -0.243 1.00 0.00 C ATOM 167 C LEU A 33 -9.272 3.555 -1.140 1.00 0.00 C ATOM 168 O LEU A 33 -8.145 3.400 -0.673 1.00 0.00 O ATOM 169 CB LEU A 33 -11.211 2.266 -0.231 1.00 0.00 C ATOM 170 CG LEU A 33 -12.704 2.310 0.104 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.377 1.010 -0.302 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.910 2.584 1.586 1.00 0.00 C ATOM 0 H LEU A 33 -12.232 4.335 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.197 3.854 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.090 1.803 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.713 1.619 0.492 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.162 3.123 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.438 1.058 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.259 0.859 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.918 0.180 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.977 2.612 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.439 1.794 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.461 3.543 1.845 1.00 0.00 H new ATOM 184 N ILE A 34 -9.511 3.703 -2.438 1.00 0.00 N ATOM 185 CA ILE A 34 -8.443 3.692 -3.423 1.00 0.00 C ATOM 186 C ILE A 34 -7.563 4.921 -3.239 1.00 0.00 C ATOM 187 O ILE A 34 -6.336 4.832 -3.273 1.00 0.00 O ATOM 188 CB ILE A 34 -9.021 3.668 -4.856 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.575 2.282 -5.180 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.976 4.076 -5.886 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.285 2.213 -6.513 1.00 0.00 C ATOM 0 H ILE A 34 -10.443 3.833 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.845 2.792 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.833 4.394 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.757 1.562 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.267 1.983 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.417 4.048 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.629 5.087 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.133 3.386 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.652 1.200 -6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.124 2.908 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.591 2.481 -7.309 1.00 0.00 H new ATOM 203 N GLU A 35 -8.203 6.069 -3.030 1.00 0.00 N ATOM 204 CA GLU A 35 -7.482 7.316 -2.826 1.00 0.00 C ATOM 205 C GLU A 35 -6.495 7.163 -1.677 1.00 0.00 C ATOM 206 O GLU A 35 -5.408 7.744 -1.691 1.00 0.00 O ATOM 207 CB GLU A 35 -8.457 8.458 -2.534 1.00 0.00 C ATOM 208 CG GLU A 35 -8.986 9.140 -3.786 1.00 0.00 C ATOM 209 CD GLU A 35 -8.744 10.637 -3.783 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.659 11.062 -3.332 1.00 0.00 O ATOM 211 OE2 GLU A 35 -9.638 11.385 -4.232 1.00 0.00 O ATOM 0 H GLU A 35 -9.219 6.158 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.934 7.555 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.298 8.069 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.959 9.199 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.510 8.701 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.055 8.949 -3.875 1.00 0.00 H new ATOM 218 N THR A 36 -6.872 6.352 -0.692 1.00 0.00 N ATOM 219 CA THR A 36 -6.012 6.097 0.449 1.00 0.00 C ATOM 220 C THR A 36 -4.944 5.089 0.047 1.00 0.00 C ATOM 221 O THR A 36 -3.782 5.208 0.431 1.00 0.00 O ATOM 222 CB THR A 36 -6.837 5.593 1.642 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.494 6.300 2.821 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.669 4.116 1.932 1.00 0.00 C ATOM 0 H THR A 36 -7.767 5.863 -0.665 1.00 0.00 H new ATOM 0 HA THR A 36 -5.526 7.022 0.759 1.00 0.00 H new ATOM 0 HB THR A 36 -7.874 5.765 1.355 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.031 5.967 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.285 3.841 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.978 3.537 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.623 3.906 2.155 1.00 0.00 H new ATOM 232 N PHE A 37 -5.350 4.110 -0.757 1.00 0.00 N ATOM 233 CA PHE A 37 -4.429 3.096 -1.244 1.00 0.00 C ATOM 234 C PHE A 37 -3.344 3.759 -2.075 1.00 0.00 C ATOM 235 O PHE A 37 -2.165 3.436 -1.952 1.00 0.00 O ATOM 236 CB PHE A 37 -5.169 2.054 -2.084 1.00 0.00 C ATOM 237 CG PHE A 37 -4.448 0.738 -2.213 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.511 0.325 -1.268 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.704 -0.086 -3.293 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.853 -0.882 -1.410 1.00 0.00 C ATOM 241 CE2 PHE A 37 -4.047 -1.290 -3.438 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.121 -1.689 -2.496 1.00 0.00 C ATOM 0 H PHE A 37 -6.310 4.000 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.978 2.589 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.149 1.876 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.339 2.461 -3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.297 0.954 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.429 0.217 -4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.129 -1.193 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.257 -1.921 -4.289 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.607 -2.632 -2.609 1.00 0.00 H new ATOM 252 N ALA A 38 -3.755 4.712 -2.908 1.00 0.00 N ATOM 253 CA ALA A 38 -2.819 5.449 -3.741 1.00 0.00 C ATOM 254 C ALA A 38 -1.791 6.148 -2.862 1.00 0.00 C ATOM 255 O ALA A 38 -0.608 6.215 -3.197 1.00 0.00 O ATOM 256 CB ALA A 38 -3.558 6.456 -4.609 1.00 0.00 C ATOM 0 H ALA A 38 -4.730 4.989 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.302 4.751 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.842 6.999 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.267 5.932 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.096 7.159 -3.973 1.00 0.00 H new ATOM 262 N GLU A 39 -2.254 6.644 -1.716 1.00 0.00 N ATOM 263 CA GLU A 39 -1.379 7.310 -0.764 1.00 0.00 C ATOM 264 C GLU A 39 -0.531 6.263 -0.051 1.00 0.00 C ATOM 265 O GLU A 39 0.683 6.416 0.090 1.00 0.00 O ATOM 266 CB GLU A 39 -2.213 8.130 0.236 1.00 0.00 C ATOM 267 CG GLU A 39 -1.749 8.031 1.683 1.00 0.00 C ATOM 268 CD GLU A 39 -2.195 9.214 2.520 1.00 0.00 C ATOM 269 OE1 GLU A 39 -1.658 10.322 2.315 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.084 9.032 3.379 1.00 0.00 O ATOM 0 H GLU A 39 -3.231 6.595 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.717 8.000 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.193 9.177 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.251 7.802 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.137 7.112 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.661 7.962 1.708 1.00 0.00 H new ATOM 277 N GLN A 40 -1.185 5.186 0.375 1.00 0.00 N ATOM 278 CA GLN A 40 -0.507 4.091 1.047 1.00 0.00 C ATOM 279 C GLN A 40 0.548 3.493 0.125 1.00 0.00 C ATOM 280 O GLN A 40 1.627 3.098 0.567 1.00 0.00 O ATOM 281 CB GLN A 40 -1.516 3.015 1.453 1.00 0.00 C ATOM 282 CG GLN A 40 -2.575 3.507 2.426 1.00 0.00 C ATOM 283 CD GLN A 40 -2.148 3.361 3.872 1.00 0.00 C ATOM 284 OE1 GLN A 40 -0.980 3.107 4.165 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.097 3.521 4.784 1.00 0.00 N ATOM 0 H GLN A 40 -2.190 5.052 0.264 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.022 4.474 1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.007 2.633 0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.981 2.179 1.904 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.795 4.554 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.498 2.950 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.052 3.731 4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.872 3.434 5.775 1.00 0.00 H new ATOM 294 N SER A 41 0.227 3.448 -1.167 1.00 0.00 N ATOM 295 CA SER A 41 1.144 2.919 -2.168 1.00 0.00 C ATOM 296 C SER A 41 2.433 3.724 -2.158 1.00 0.00 C ATOM 297 O SER A 41 3.526 3.167 -2.076 1.00 0.00 O ATOM 298 CB SER A 41 0.505 2.966 -3.558 1.00 0.00 C ATOM 299 OG SER A 41 -0.697 2.217 -3.593 1.00 0.00 O ATOM 0 H SER A 41 -0.664 3.773 -1.543 1.00 0.00 H new ATOM 0 HA SER A 41 1.368 1.880 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.300 4.001 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.204 2.573 -4.296 1.00 0.00 H new ATOM 0 HG SER A 41 -1.441 2.779 -3.292 1.00 0.00 H new ATOM 305 N ARG A 42 2.294 5.044 -2.207 1.00 0.00 N ATOM 306 CA ARG A 42 3.452 5.926 -2.167 1.00 0.00 C ATOM 307 C ARG A 42 4.124 5.794 -0.812 1.00 0.00 C ATOM 308 O ARG A 42 5.343 5.890 -0.692 1.00 0.00 O ATOM 309 CB ARG A 42 3.049 7.386 -2.405 1.00 0.00 C ATOM 310 CG ARG A 42 1.868 7.563 -3.346 1.00 0.00 C ATOM 311 CD ARG A 42 2.208 8.492 -4.502 1.00 0.00 C ATOM 312 NE ARG A 42 1.035 9.212 -4.993 1.00 0.00 N ATOM 313 CZ ARG A 42 0.955 9.762 -6.204 1.00 0.00 C ATOM 314 NH1 ARG A 42 1.974 9.675 -7.050 1.00 0.00 N ATOM 315 NH2 ARG A 42 -0.149 10.400 -6.570 1.00 0.00 N ATOM 0 H ARG A 42 1.396 5.524 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 42 4.140 5.636 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.807 7.845 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.905 7.926 -2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.564 6.592 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.019 7.964 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.964 9.208 -4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.644 7.913 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 42 0.230 9.299 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.825 9.185 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.906 10.098 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.936 10.469 -5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.211 10.821 -7.497 1.00 0.00 H new ATOM 329 N VAL A 43 3.308 5.555 0.208 1.00 0.00 N ATOM 330 CA VAL A 43 3.806 5.386 1.559 1.00 0.00 C ATOM 331 C VAL A 43 4.705 4.161 1.636 1.00 0.00 C ATOM 332 O VAL A 43 5.839 4.242 2.100 1.00 0.00 O ATOM 333 CB VAL A 43 2.644 5.259 2.564 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.043 4.444 3.784 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.168 6.637 2.978 1.00 0.00 C ATOM 0 H VAL A 43 2.295 5.474 0.120 1.00 0.00 H new ATOM 0 HA VAL A 43 4.387 6.270 1.822 1.00 0.00 H new ATOM 0 HB VAL A 43 1.828 4.730 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.198 4.377 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.338 3.442 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.880 4.928 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.347 6.540 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.989 7.181 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.825 7.183 2.099 1.00 0.00 H new ATOM 345 N LEU A 44 4.208 3.025 1.158 1.00 0.00 N ATOM 346 CA LEU A 44 5.004 1.809 1.170 1.00 0.00 C ATOM 347 C LEU A 44 6.342 2.088 0.502 1.00 0.00 C ATOM 348 O LEU A 44 7.393 1.801 1.062 1.00 0.00 O ATOM 349 CB LEU A 44 4.268 0.661 0.458 1.00 0.00 C ATOM 350 CG LEU A 44 4.176 -0.677 1.222 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.291 -1.623 0.800 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.207 -0.471 2.731 1.00 0.00 C ATOM 0 H LEU A 44 3.273 2.923 0.764 1.00 0.00 H new ATOM 0 HA LEU A 44 5.170 1.499 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.255 0.994 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.764 0.476 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 44 3.217 -1.126 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.203 -2.558 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.212 -1.824 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.257 -1.165 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.140 -1.437 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.139 0.020 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.364 0.152 3.031 1.00 0.00 H new ATOM 364 N GLU A 45 6.299 2.689 -0.682 1.00 0.00 N ATOM 365 CA GLU A 45 7.522 3.029 -1.393 1.00 0.00 C ATOM 366 C GLU A 45 8.329 4.050 -0.592 1.00 0.00 C ATOM 367 O GLU A 45 9.557 4.083 -0.671 1.00 0.00 O ATOM 368 CB GLU A 45 7.200 3.545 -2.807 1.00 0.00 C ATOM 369 CG GLU A 45 7.238 5.059 -2.964 1.00 0.00 C ATOM 370 CD GLU A 45 7.110 5.496 -4.410 1.00 0.00 C ATOM 371 OE1 GLU A 45 5.968 5.558 -4.912 1.00 0.00 O ATOM 372 OE2 GLU A 45 8.151 5.775 -5.040 1.00 0.00 O ATOM 0 H GLU A 45 5.438 2.948 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 45 8.130 2.131 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.909 3.104 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.209 3.190 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.430 5.502 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.173 5.440 -2.554 1.00 0.00 H new ATOM 379 N LYS A 46 7.631 4.870 0.194 1.00 0.00 N ATOM 380 CA LYS A 46 8.292 5.874 1.023 1.00 0.00 C ATOM 381 C LYS A 46 9.012 5.196 2.185 1.00 0.00 C ATOM 382 O LYS A 46 10.210 5.392 2.392 1.00 0.00 O ATOM 383 CB LYS A 46 7.276 6.921 1.524 1.00 0.00 C ATOM 384 CG LYS A 46 6.867 6.783 2.989 1.00 0.00 C ATOM 385 CD LYS A 46 5.923 7.893 3.417 1.00 0.00 C ATOM 386 CE LYS A 46 5.446 7.691 4.847 1.00 0.00 C ATOM 387 NZ LYS A 46 4.291 8.571 5.180 1.00 0.00 N ATOM 0 H LYS A 46 6.614 4.858 0.273 1.00 0.00 H new ATOM 0 HA LYS A 46 9.034 6.400 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.699 7.914 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.380 6.859 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.386 5.817 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.757 6.800 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.428 8.855 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.065 7.923 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.161 6.649 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.267 7.894 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.534 9.168 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.068 9.175 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.464 7.985 5.414 1.00 0.00 H new ATOM 401 N GLU A 47 8.279 4.377 2.929 1.00 0.00 N ATOM 402 CA GLU A 47 8.860 3.656 4.048 1.00 0.00 C ATOM 403 C GLU A 47 9.848 2.620 3.537 1.00 0.00 C ATOM 404 O GLU A 47 10.864 2.349 4.171 1.00 0.00 O ATOM 405 CB GLU A 47 7.768 2.974 4.873 1.00 0.00 C ATOM 406 CG GLU A 47 6.964 3.926 5.746 1.00 0.00 C ATOM 407 CD GLU A 47 7.828 4.951 6.458 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.087 6.022 5.868 1.00 0.00 O ATOM 409 OE2 GLU A 47 8.245 4.683 7.604 1.00 0.00 O ATOM 0 H GLU A 47 7.286 4.198 2.777 1.00 0.00 H new ATOM 0 HA GLU A 47 9.383 4.367 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.088 2.455 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.227 2.216 5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.230 4.444 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.409 3.350 6.486 1.00 0.00 H new ATOM 416 N CYS A 48 9.537 2.049 2.379 1.00 0.00 N ATOM 417 CA CYS A 48 10.386 1.039 1.764 1.00 0.00 C ATOM 418 C CYS A 48 11.690 1.649 1.260 1.00 0.00 C ATOM 419 O CYS A 48 12.732 0.994 1.271 1.00 0.00 O ATOM 420 CB CYS A 48 9.648 0.363 0.607 1.00 0.00 C ATOM 421 SG CYS A 48 8.291 -0.713 1.128 1.00 0.00 S ATOM 0 H CYS A 48 8.697 2.271 1.845 1.00 0.00 H new ATOM 0 HA CYS A 48 10.627 0.294 2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.254 1.132 -0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.361 -0.224 0.028 1.00 0.00 H new ATOM 0 HG CYS A 48 8.717 -1.539 2.037 1.00 0.00 H new ATOM 427 N THR A 49 11.632 2.903 0.815 1.00 0.00 N ATOM 428 CA THR A 49 12.825 3.572 0.310 1.00 0.00 C ATOM 429 C THR A 49 13.814 3.843 1.440 1.00 0.00 C ATOM 430 O THR A 49 15.024 3.873 1.220 1.00 0.00 O ATOM 431 CB THR A 49 12.461 4.875 -0.414 1.00 0.00 C ATOM 432 OG1 THR A 49 13.558 5.343 -1.176 1.00 0.00 O ATOM 433 CG2 THR A 49 12.038 5.998 0.510 1.00 0.00 C ATOM 0 H THR A 49 10.783 3.468 0.794 1.00 0.00 H new ATOM 0 HA THR A 49 13.302 2.907 -0.410 1.00 0.00 H new ATOM 0 HB THR A 49 11.610 4.616 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.309 6.174 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.798 6.883 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.160 5.691 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.852 6.230 1.197 1.00 0.00 H new ATOM 441 N LYS A 50 13.296 4.041 2.651 1.00 0.00 N ATOM 442 CA LYS A 50 14.153 4.308 3.801 1.00 0.00 C ATOM 443 C LYS A 50 14.626 3.010 4.462 1.00 0.00 C ATOM 444 O LYS A 50 15.609 3.011 5.204 1.00 0.00 O ATOM 445 CB LYS A 50 13.427 5.199 4.817 1.00 0.00 C ATOM 446 CG LYS A 50 12.539 4.442 5.794 1.00 0.00 C ATOM 447 CD LYS A 50 11.259 5.207 6.085 1.00 0.00 C ATOM 448 CE LYS A 50 11.530 6.434 6.938 1.00 0.00 C ATOM 449 NZ LYS A 50 11.432 6.132 8.394 1.00 0.00 N ATOM 0 H LYS A 50 12.298 4.022 2.859 1.00 0.00 H new ATOM 0 HA LYS A 50 15.036 4.836 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.168 5.764 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.817 5.923 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.294 3.463 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.082 4.270 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.793 5.509 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.552 4.555 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.524 6.820 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.818 7.219 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.624 6.995 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.475 5.788 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.128 5.401 8.645 1.00 0.00 H new ATOM 463 N ILE A 51 13.932 1.902 4.190 1.00 0.00 N ATOM 464 CA ILE A 51 14.305 0.611 4.766 1.00 0.00 C ATOM 465 C ILE A 51 15.791 0.335 4.557 1.00 0.00 C ATOM 466 O ILE A 51 16.287 0.356 3.430 1.00 0.00 O ATOM 467 CB ILE A 51 13.475 -0.546 4.160 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.024 -0.464 4.650 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.092 -1.902 4.507 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.823 -0.960 6.065 1.00 0.00 C ATOM 0 H ILE A 51 13.115 1.874 3.579 1.00 0.00 H new ATOM 0 HA ILE A 51 14.094 0.664 5.834 1.00 0.00 H new ATOM 0 HB ILE A 51 13.482 -0.447 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.688 0.571 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.391 -1.045 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.490 -2.698 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.106 -1.953 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.121 -2.022 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.771 -0.869 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.126 -2.005 6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.427 -0.364 6.749 1.00 0.00 H new ATOM 606 N LEU A 60 9.923 1.126 12.233 1.00 0.00 N ATOM 607 CA LEU A 60 9.557 1.355 10.842 1.00 0.00 C ATOM 608 C LEU A 60 9.042 0.061 10.219 1.00 0.00 C ATOM 609 O LEU A 60 7.901 -0.001 9.760 1.00 0.00 O ATOM 610 CB LEU A 60 10.758 1.911 10.057 1.00 0.00 C ATOM 611 CG LEU A 60 10.935 1.382 8.628 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.661 1.572 7.819 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.107 2.074 7.948 1.00 0.00 C ATOM 0 HA LEU A 60 8.758 2.096 10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.665 2.996 10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.666 1.692 10.619 1.00 0.00 H new ATOM 0 HG LEU A 60 11.146 0.314 8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.811 1.189 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.844 1.030 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.414 2.633 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.220 1.688 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.923 3.148 7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.020 1.883 8.513 1.00 0.00 H new ATOM 625 N ARG A 61 9.879 -0.974 10.210 1.00 0.00 N ATOM 626 CA ARG A 61 9.475 -2.258 9.644 1.00 0.00 C ATOM 627 C ARG A 61 8.232 -2.774 10.357 1.00 0.00 C ATOM 628 O ARG A 61 7.378 -3.416 9.746 1.00 0.00 O ATOM 629 CB ARG A 61 10.605 -3.291 9.723 1.00 0.00 C ATOM 630 CG ARG A 61 11.492 -3.148 10.947 1.00 0.00 C ATOM 631 CD ARG A 61 12.823 -2.497 10.601 1.00 0.00 C ATOM 632 NE ARG A 61 13.461 -3.111 9.439 1.00 0.00 N ATOM 633 CZ ARG A 61 13.889 -4.372 9.397 1.00 0.00 C ATOM 634 NH1 ARG A 61 13.750 -5.169 10.449 1.00 0.00 N ATOM 635 NH2 ARG A 61 14.469 -4.835 8.299 1.00 0.00 N ATOM 0 H ARG A 61 10.828 -0.950 10.583 1.00 0.00 H new ATOM 0 HA ARG A 61 9.245 -2.103 8.590 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.170 -4.290 9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.222 -3.207 8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.979 -2.551 11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.670 -4.130 11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.665 -1.436 10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.492 -2.568 11.459 1.00 0.00 H new ATOM 0 HE ARG A 61 13.587 -2.537 8.605 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.312 -4.818 11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.081 -6.133 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.587 -4.226 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.798 -5.800 8.264 1.00 0.00 H new ATOM 649 N TYR A 62 8.118 -2.463 11.648 1.00 0.00 N ATOM 650 CA TYR A 62 6.953 -2.875 12.416 1.00 0.00 C ATOM 651 C TYR A 62 5.746 -2.084 11.944 1.00 0.00 C ATOM 652 O TYR A 62 4.718 -2.651 11.591 1.00 0.00 O ATOM 653 CB TYR A 62 7.178 -2.655 13.914 1.00 0.00 C ATOM 654 CG TYR A 62 7.472 -3.927 14.676 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.441 -4.726 15.154 1.00 0.00 C ATOM 656 CD2 TYR A 62 8.780 -4.329 14.918 1.00 0.00 C ATOM 657 CE1 TYR A 62 6.704 -5.888 15.852 1.00 0.00 C ATOM 658 CE2 TYR A 62 9.051 -5.491 15.615 1.00 0.00 C ATOM 659 CZ TYR A 62 8.010 -6.266 16.080 1.00 0.00 C ATOM 660 OH TYR A 62 8.277 -7.424 16.774 1.00 0.00 O ATOM 0 H TYR A 62 8.812 -1.933 12.175 1.00 0.00 H new ATOM 0 HA TYR A 62 6.781 -3.940 12.259 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.007 -1.960 14.050 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.293 -2.183 14.340 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.417 -4.433 14.977 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.598 -3.724 14.556 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.891 -6.498 16.217 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.073 -5.790 15.795 1.00 0.00 H new ATOM 0 HH TYR A 62 9.247 -7.546 16.847 1.00 0.00 H new ATOM 670 N LYS A 63 5.896 -0.766 11.910 1.00 0.00 N ATOM 671 CA LYS A 63 4.832 0.111 11.447 1.00 0.00 C ATOM 672 C LYS A 63 4.450 -0.262 10.017 1.00 0.00 C ATOM 673 O LYS A 63 3.290 -0.165 9.621 1.00 0.00 O ATOM 674 CB LYS A 63 5.295 1.572 11.522 1.00 0.00 C ATOM 675 CG LYS A 63 4.416 2.552 10.761 1.00 0.00 C ATOM 676 CD LYS A 63 5.223 3.727 10.232 1.00 0.00 C ATOM 677 CE LYS A 63 5.552 3.560 8.757 1.00 0.00 C ATOM 678 NZ LYS A 63 5.102 4.731 7.954 1.00 0.00 N ATOM 0 H LYS A 63 6.746 -0.282 12.198 1.00 0.00 H new ATOM 0 HA LYS A 63 3.956 -0.006 12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.333 1.875 12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.311 1.638 11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.931 2.039 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.625 2.918 11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.662 4.650 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.147 3.822 10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.627 3.429 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.076 2.655 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.896 4.426 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.243 5.134 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.852 5.451 7.940 1.00 0.00 H new ATOM 692 N ILE A 64 5.444 -0.687 9.249 1.00 0.00 N ATOM 693 CA ILE A 64 5.235 -1.076 7.869 1.00 0.00 C ATOM 694 C ILE A 64 4.375 -2.340 7.760 1.00 0.00 C ATOM 695 O ILE A 64 3.358 -2.351 7.067 1.00 0.00 O ATOM 696 CB ILE A 64 6.599 -1.291 7.165 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.883 -0.132 6.208 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.654 -2.625 6.431 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.071 -0.360 5.294 1.00 0.00 C ATOM 0 H ILE A 64 6.410 -0.770 9.566 1.00 0.00 H new ATOM 0 HA ILE A 64 4.697 -0.268 7.373 1.00 0.00 H new ATOM 0 HB ILE A 64 7.373 -1.316 7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.998 0.046 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.055 0.773 6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.626 -2.737 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.505 -3.438 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.870 -2.656 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.205 0.507 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.969 -0.507 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.895 -1.245 4.682 1.00 0.00 H new ATOM 711 N GLU A 65 4.805 -3.409 8.426 1.00 0.00 N ATOM 712 CA GLU A 65 4.092 -4.683 8.373 1.00 0.00 C ATOM 713 C GLU A 65 2.916 -4.737 9.347 1.00 0.00 C ATOM 714 O GLU A 65 1.981 -5.511 9.148 1.00 0.00 O ATOM 715 CB GLU A 65 5.056 -5.833 8.663 1.00 0.00 C ATOM 716 CG GLU A 65 6.168 -5.968 7.634 1.00 0.00 C ATOM 717 CD GLU A 65 6.264 -7.368 7.057 1.00 0.00 C ATOM 718 OE1 GLU A 65 6.980 -8.205 7.646 1.00 0.00 O ATOM 719 OE2 GLU A 65 5.623 -7.626 6.017 1.00 0.00 O ATOM 0 H GLU A 65 5.643 -3.419 9.008 1.00 0.00 H new ATOM 0 HA GLU A 65 3.685 -4.781 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.499 -5.685 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.494 -6.766 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.998 -5.257 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.119 -5.704 8.096 1.00 0.00 H new ATOM 726 N THR A 66 2.973 -3.942 10.408 1.00 0.00 N ATOM 727 CA THR A 66 1.919 -3.935 11.405 1.00 0.00 C ATOM 728 C THR A 66 0.969 -2.747 11.236 1.00 0.00 C ATOM 729 O THR A 66 -0.046 -2.665 11.928 1.00 0.00 O ATOM 730 CB THR A 66 2.532 -3.910 12.803 1.00 0.00 C ATOM 731 OG1 THR A 66 2.906 -2.593 13.169 1.00 0.00 O ATOM 732 CG2 THR A 66 3.752 -4.796 12.949 1.00 0.00 C ATOM 0 H THR A 66 3.739 -3.295 10.597 1.00 0.00 H new ATOM 0 HA THR A 66 1.334 -4.844 11.269 1.00 0.00 H new ATOM 0 HB THR A 66 1.751 -4.294 13.459 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.387 -2.171 12.427 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.132 -4.727 13.968 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.479 -5.829 12.733 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.523 -4.471 12.251 1.00 0.00 H new ATOM 740 N GLU A 67 1.290 -1.824 10.329 1.00 0.00 N ATOM 741 CA GLU A 67 0.434 -0.659 10.119 1.00 0.00 C ATOM 742 C GLU A 67 0.260 -0.328 8.632 1.00 0.00 C ATOM 743 O GLU A 67 -0.860 -0.109 8.175 1.00 0.00 O ATOM 744 CB GLU A 67 0.985 0.551 10.895 1.00 0.00 C ATOM 745 CG GLU A 67 1.016 1.855 10.106 1.00 0.00 C ATOM 746 CD GLU A 67 -0.371 2.370 9.775 1.00 0.00 C ATOM 747 OE1 GLU A 67 -1.326 2.004 10.492 1.00 0.00 O ATOM 748 OE2 GLU A 67 -0.501 3.139 8.800 1.00 0.00 O ATOM 0 H GLU A 67 2.121 -1.859 9.738 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.557 -0.903 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.379 0.698 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.997 0.321 11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.552 2.610 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.573 1.703 9.182 1.00 0.00 H new ATOM 755 N LEU A 68 1.357 -0.276 7.880 1.00 0.00 N ATOM 756 CA LEU A 68 1.273 0.049 6.456 1.00 0.00 C ATOM 757 C LEU A 68 0.649 -1.096 5.659 1.00 0.00 C ATOM 758 O LEU A 68 -0.566 -1.124 5.464 1.00 0.00 O ATOM 759 CB LEU A 68 2.651 0.405 5.889 1.00 0.00 C ATOM 760 CG LEU A 68 3.220 1.753 6.344 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.449 2.115 5.524 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.166 2.847 6.233 1.00 0.00 C ATOM 0 H LEU A 68 2.301 -0.451 8.224 1.00 0.00 H new ATOM 0 HA LEU A 68 0.626 0.921 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.354 -0.380 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.589 0.405 4.801 1.00 0.00 H new ATOM 0 HG LEU A 68 3.514 1.665 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.841 3.075 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.212 1.347 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.177 2.183 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.591 3.796 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.840 2.934 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.312 2.595 6.862 1.00 0.00 H new ATOM 774 N ILE A 69 1.481 -2.032 5.193 1.00 0.00 N ATOM 775 CA ILE A 69 1.006 -3.175 4.409 1.00 0.00 C ATOM 776 C ILE A 69 -0.359 -3.674 4.895 1.00 0.00 C ATOM 777 O ILE A 69 -1.304 -3.763 4.111 1.00 0.00 O ATOM 778 CB ILE A 69 2.039 -4.331 4.429 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.124 -4.078 3.379 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.375 -5.683 4.182 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.531 -4.189 3.919 1.00 0.00 C ATOM 0 H ILE A 69 2.489 -2.020 5.346 1.00 0.00 H new ATOM 0 HA ILE A 69 0.888 -2.829 3.382 1.00 0.00 H new ATOM 0 HB ILE A 69 2.491 -4.360 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.000 -4.790 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.984 -3.083 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.130 -6.469 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.633 -5.871 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.886 -5.676 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.244 -3.997 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.674 -3.458 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.691 -5.192 4.315 1.00 0.00 H new ATOM 793 N PRO A 70 -0.490 -4.001 6.193 1.00 0.00 N ATOM 794 CA PRO A 70 -1.754 -4.482 6.755 1.00 0.00 C ATOM 795 C PRO A 70 -2.924 -3.577 6.391 1.00 0.00 C ATOM 796 O PRO A 70 -4.031 -4.050 6.141 1.00 0.00 O ATOM 797 CB PRO A 70 -1.519 -4.468 8.273 1.00 0.00 C ATOM 798 CG PRO A 70 -0.228 -3.746 8.478 1.00 0.00 C ATOM 799 CD PRO A 70 0.561 -3.931 7.215 1.00 0.00 C ATOM 0 HA PRO A 70 -2.016 -5.467 6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.335 -3.964 8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.467 -5.482 8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.401 -2.688 8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.311 -4.148 9.336 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.245 -3.101 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.163 -4.839 7.242 1.00 0.00 H new ATOM 807 N ASN A 71 -2.671 -2.273 6.362 1.00 0.00 N ATOM 808 CA ASN A 71 -3.705 -1.302 6.026 1.00 0.00 C ATOM 809 C ASN A 71 -3.829 -1.138 4.516 1.00 0.00 C ATOM 810 O ASN A 71 -4.931 -0.985 3.989 1.00 0.00 O ATOM 811 CB ASN A 71 -3.401 0.051 6.673 1.00 0.00 C ATOM 812 CG ASN A 71 -3.776 0.089 8.142 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.686 -0.615 8.580 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.076 0.915 8.912 1.00 0.00 N ATOM 0 H ASN A 71 -1.759 -1.865 6.567 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.653 -1.675 6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.339 0.271 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.943 0.834 6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.285 0.984 9.908 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.330 1.480 8.507 1.00 0.00 H new ATOM 821 N CYS A 72 -2.696 -1.177 3.820 1.00 0.00 N ATOM 822 CA CYS A 72 -2.694 -1.039 2.369 1.00 0.00 C ATOM 823 C CYS A 72 -3.463 -2.187 1.734 1.00 0.00 C ATOM 824 O CYS A 72 -4.413 -1.971 0.981 1.00 0.00 O ATOM 825 CB CYS A 72 -1.264 -0.998 1.818 1.00 0.00 C ATOM 826 SG CYS A 72 -0.098 -0.039 2.813 1.00 0.00 S ATOM 0 H CYS A 72 -1.773 -1.302 4.236 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.181 -0.097 2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.893 -2.019 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.289 -0.582 0.811 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.502 -0.011 4.048 1.00 0.00 H new ATOM 832 N THR A 73 -3.058 -3.411 2.055 1.00 0.00 N ATOM 833 CA THR A 73 -3.726 -4.588 1.525 1.00 0.00 C ATOM 834 C THR A 73 -5.158 -4.645 2.042 1.00 0.00 C ATOM 835 O THR A 73 -6.090 -4.912 1.287 1.00 0.00 O ATOM 836 CB THR A 73 -2.962 -5.859 1.907 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.290 -6.924 1.033 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.237 -6.324 3.320 1.00 0.00 C ATOM 0 H THR A 73 -2.274 -3.611 2.677 1.00 0.00 H new ATOM 0 HA THR A 73 -3.747 -4.522 0.437 1.00 0.00 H new ATOM 0 HB THR A 73 -1.908 -5.594 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.790 -7.726 1.293 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.664 -7.228 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.946 -5.544 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.300 -6.535 3.433 1.00 0.00 H new ATOM 846 N SER A 74 -5.336 -4.358 3.332 1.00 0.00 N ATOM 847 CA SER A 74 -6.669 -4.348 3.921 1.00 0.00 C ATOM 848 C SER A 74 -7.546 -3.374 3.146 1.00 0.00 C ATOM 849 O SER A 74 -8.753 -3.571 3.007 1.00 0.00 O ATOM 850 CB SER A 74 -6.609 -3.945 5.395 1.00 0.00 C ATOM 851 OG SER A 74 -7.904 -3.676 5.904 1.00 0.00 O ATOM 0 H SER A 74 -4.581 -4.132 3.980 1.00 0.00 H new ATOM 0 HA SER A 74 -7.092 -5.351 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.146 -4.743 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.980 -3.062 5.508 1.00 0.00 H new ATOM 0 HG SER A 74 -7.838 -3.422 6.848 1.00 0.00 H new ATOM 857 N VAL A 75 -6.906 -2.333 2.620 1.00 0.00 N ATOM 858 CA VAL A 75 -7.589 -1.328 1.827 1.00 0.00 C ATOM 859 C VAL A 75 -8.025 -1.936 0.492 1.00 0.00 C ATOM 860 O VAL A 75 -9.023 -1.520 -0.096 1.00 0.00 O ATOM 861 CB VAL A 75 -6.668 -0.093 1.621 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.507 0.278 0.156 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.180 1.097 2.418 1.00 0.00 C ATOM 0 H VAL A 75 -5.906 -2.167 2.733 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.482 -0.989 2.353 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.681 -0.371 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.854 1.147 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.068 -0.560 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.483 0.514 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.521 1.951 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.188 1.350 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.198 0.844 3.478 1.00 0.00 H new ATOM 873 N ARG A 76 -7.285 -2.952 0.042 1.00 0.00 N ATOM 874 CA ARG A 76 -7.610 -3.651 -1.196 1.00 0.00 C ATOM 875 C ARG A 76 -8.890 -4.447 -1.004 1.00 0.00 C ATOM 876 O ARG A 76 -9.869 -4.254 -1.720 1.00 0.00 O ATOM 877 CB ARG A 76 -6.483 -4.608 -1.589 1.00 0.00 C ATOM 878 CG ARG A 76 -5.175 -3.923 -1.944 1.00 0.00 C ATOM 879 CD ARG A 76 -4.066 -4.940 -2.167 1.00 0.00 C ATOM 880 NE ARG A 76 -4.440 -5.948 -3.155 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.625 -6.912 -3.578 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.388 -6.999 -3.104 1.00 0.00 N ATOM 883 NH2 ARG A 76 -4.047 -7.790 -4.477 1.00 0.00 N ATOM 0 H ARG A 76 -6.456 -3.307 0.520 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.739 -2.913 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.305 -5.299 -0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.810 -5.205 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.308 -3.323 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.890 -3.240 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.163 -4.426 -2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.827 -5.429 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.382 -5.911 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.058 -6.325 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.767 -7.739 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.996 -7.727 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.422 -8.528 -4.801 1.00 0.00 H new ATOM 897 N ASP A 77 -8.872 -5.343 -0.015 1.00 0.00 N ATOM 898 CA ASP A 77 -10.033 -6.171 0.292 1.00 0.00 C ATOM 899 C ASP A 77 -11.288 -5.311 0.366 1.00 0.00 C ATOM 900 O ASP A 77 -12.376 -5.744 -0.013 1.00 0.00 O ATOM 901 CB ASP A 77 -9.822 -6.915 1.613 1.00 0.00 C ATOM 902 CG ASP A 77 -9.653 -8.409 1.415 1.00 0.00 C ATOM 903 OD1 ASP A 77 -10.595 -9.050 0.903 1.00 0.00 O ATOM 904 OD2 ASP A 77 -8.579 -8.938 1.772 1.00 0.00 O ATOM 0 H ASP A 77 -8.065 -5.511 0.585 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.158 -6.905 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.941 -6.516 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.673 -6.732 2.270 1.00 0.00 H new ATOM 909 N LYS A 78 -11.119 -4.081 0.841 1.00 0.00 N ATOM 910 CA LYS A 78 -12.228 -3.147 0.945 1.00 0.00 C ATOM 911 C LYS A 78 -12.662 -2.709 -0.446 1.00 0.00 C ATOM 912 O LYS A 78 -13.854 -2.615 -0.742 1.00 0.00 O ATOM 913 CB LYS A 78 -11.822 -1.932 1.786 1.00 0.00 C ATOM 914 CG LYS A 78 -11.931 -2.165 3.284 1.00 0.00 C ATOM 915 CD LYS A 78 -12.354 -0.901 4.016 1.00 0.00 C ATOM 916 CE LYS A 78 -11.168 -0.211 4.670 1.00 0.00 C ATOM 917 NZ LYS A 78 -10.566 -1.041 5.750 1.00 0.00 N ATOM 0 H LYS A 78 -10.224 -3.710 1.159 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.065 -3.641 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.795 -1.659 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.450 -1.085 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.653 -2.958 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.971 -2.507 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.833 -0.217 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.095 -1.150 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.412 0.005 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.488 0.746 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.077 -0.424 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.315 -1.571 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.884 -1.708 5.336 1.00 0.00 H new ATOM 931 N ILE A 79 -11.678 -2.463 -1.304 1.00 0.00 N ATOM 932 CA ILE A 79 -11.939 -2.058 -2.674 1.00 0.00 C ATOM 933 C ILE A 79 -12.484 -3.235 -3.474 1.00 0.00 C ATOM 934 O ILE A 79 -13.486 -3.113 -4.179 1.00 0.00 O ATOM 935 CB ILE A 79 -10.652 -1.524 -3.339 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.277 -0.167 -2.742 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.815 -1.423 -4.850 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.821 0.195 -2.927 1.00 0.00 C ATOM 0 H ILE A 79 -10.688 -2.539 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.681 -1.260 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.845 -2.229 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.896 0.605 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.509 -0.172 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.893 -1.044 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.034 -2.409 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.635 -0.743 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.629 1.170 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.195 -0.556 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.588 0.233 -3.991 1.00 0.00 H new ATOM 950 N GLU A 80 -11.820 -4.378 -3.349 1.00 0.00 N ATOM 951 CA GLU A 80 -12.237 -5.582 -4.048 1.00 0.00 C ATOM 952 C GLU A 80 -13.589 -6.053 -3.527 1.00 0.00 C ATOM 953 O GLU A 80 -14.381 -6.638 -4.267 1.00 0.00 O ATOM 954 CB GLU A 80 -11.194 -6.686 -3.877 1.00 0.00 C ATOM 955 CG GLU A 80 -9.800 -6.280 -4.325 1.00 0.00 C ATOM 956 CD GLU A 80 -8.849 -7.458 -4.414 1.00 0.00 C ATOM 957 OE1 GLU A 80 -9.061 -8.327 -5.286 1.00 0.00 O ATOM 958 OE2 GLU A 80 -7.894 -7.512 -3.611 1.00 0.00 O ATOM 0 H GLU A 80 -10.989 -4.494 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.330 -5.352 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.158 -6.981 -2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.508 -7.562 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.863 -5.794 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.398 -5.545 -3.627 1.00 0.00 H new ATOM 965 N SER A 81 -13.856 -5.780 -2.251 1.00 0.00 N ATOM 966 CA SER A 81 -15.123 -6.165 -1.644 1.00 0.00 C ATOM 967 C SER A 81 -16.264 -5.418 -2.320 1.00 0.00 C ATOM 968 O SER A 81 -17.365 -5.944 -2.477 1.00 0.00 O ATOM 969 CB SER A 81 -15.112 -5.864 -0.144 1.00 0.00 C ATOM 970 OG SER A 81 -16.406 -6.007 0.415 1.00 0.00 O ATOM 0 H SER A 81 -13.214 -5.296 -1.623 1.00 0.00 H new ATOM 0 HA SER A 81 -15.266 -7.237 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.418 -6.537 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.750 -4.850 0.024 1.00 0.00 H new ATOM 0 HG SER A 81 -16.371 -5.811 1.375 1.00 0.00 H new ATOM 976 N ASN A 82 -15.978 -4.186 -2.726 1.00 0.00 N ATOM 977 CA ASN A 82 -16.958 -3.348 -3.400 1.00 0.00 C ATOM 978 C ASN A 82 -17.125 -3.788 -4.853 1.00 0.00 C ATOM 979 O ASN A 82 -16.291 -3.480 -5.705 1.00 0.00 O ATOM 980 CB ASN A 82 -16.511 -1.889 -3.337 1.00 0.00 C ATOM 981 CG ASN A 82 -17.637 -0.918 -3.613 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.732 -1.040 -3.064 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.368 0.053 -4.473 1.00 0.00 N ATOM 0 H ASN A 82 -15.068 -3.744 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.920 -3.450 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.094 -1.684 -2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.712 -1.727 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.084 0.741 -4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.445 0.113 -4.903 1.00 0.00 H new ATOM 990 N ILE A 83 -18.198 -4.525 -5.125 1.00 0.00 N ATOM 991 CA ILE A 83 -18.471 -5.031 -6.470 1.00 0.00 C ATOM 992 C ILE A 83 -18.293 -3.957 -7.540 1.00 0.00 C ATOM 993 O ILE A 83 -17.906 -4.258 -8.669 1.00 0.00 O ATOM 994 CB ILE A 83 -19.896 -5.611 -6.573 1.00 0.00 C ATOM 995 CG1 ILE A 83 -20.086 -6.319 -7.915 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.933 -4.512 -6.394 1.00 0.00 C ATOM 997 CD1 ILE A 83 -19.108 -7.450 -8.146 1.00 0.00 C ATOM 0 H ILE A 83 -18.897 -4.787 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.742 -5.822 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 83 -20.032 -6.342 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -21.102 -6.711 -7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.982 -5.590 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.933 -4.939 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.809 -4.051 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.801 -3.758 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -19.302 -7.906 -9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -18.090 -7.061 -8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -19.227 -8.199 -7.363 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.574 -2.708 -7.186 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.440 -1.603 -8.129 1.00 0.00 C ATOM 1011 C LEU A 84 -17.067 -1.610 -8.798 1.00 0.00 C ATOM 1012 O LEU A 84 -16.895 -1.056 -9.884 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.669 -0.270 -7.422 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.127 0.182 -7.360 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.362 1.062 -6.143 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.508 0.917 -8.637 1.00 0.00 C ATOM 0 H LEU A 84 -18.895 -2.436 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.197 -1.731 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.283 -0.343 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.087 0.499 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.760 -0.701 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.406 1.374 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.127 0.502 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.722 1.942 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.550 1.233 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -19.870 1.792 -8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.378 0.253 -9.492 1.00 0.00 H new ATOM 1028 N ILE A 85 -16.092 -2.245 -8.152 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.745 -2.323 -8.701 1.00 0.00 C ATOM 1030 C ILE A 85 -14.707 -3.263 -9.904 1.00 0.00 C ATOM 1031 O ILE A 85 -13.847 -3.138 -10.777 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.729 -2.797 -7.638 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.305 -2.769 -8.199 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -14.078 -4.192 -7.145 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.566 -1.483 -7.906 1.00 0.00 C ATOM 0 H ILE A 85 -16.211 -2.710 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.465 -1.319 -9.021 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.779 -2.111 -6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.743 -3.605 -7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.345 -2.918 -9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.350 -4.506 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -15.073 -4.182 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -14.061 -4.889 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.564 -1.534 -8.333 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.106 -0.645 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.494 -1.342 -6.828 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.650 -4.199 -9.948 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.728 -5.155 -11.046 1.00 0.00 C ATOM 1049 C HIS A 86 -16.585 -4.611 -12.188 1.00 0.00 C ATOM 1050 O HIS A 86 -16.420 -5.005 -13.342 1.00 0.00 O ATOM 1051 CB HIS A 86 -16.303 -6.484 -10.553 1.00 0.00 C ATOM 1052 CG HIS A 86 -15.359 -7.262 -9.689 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -14.628 -8.337 -10.150 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -15.029 -7.117 -8.384 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.891 -8.819 -9.165 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -14.116 -8.097 -8.084 1.00 0.00 N ATOM 0 H HIS A 86 -16.371 -4.315 -9.236 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.718 -5.318 -11.421 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.218 -6.289 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.580 -7.092 -11.414 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.413 -6.369 -7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -13.218 -9.661 -9.233 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.682 -8.243 -7.173 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.501 -3.704 -11.857 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.384 -3.109 -12.854 1.00 0.00 C ATOM 1067 C GLN A 87 -17.705 -1.937 -13.551 1.00 0.00 C ATOM 1068 O GLN A 87 -17.705 -1.840 -14.778 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.689 -2.656 -12.189 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.655 -1.250 -11.604 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.990 -0.833 -11.019 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.576 0.167 -11.430 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.477 -1.602 -10.051 1.00 0.00 N ATOM 0 H GLN A 87 -17.650 -3.366 -10.906 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.613 -3.861 -13.609 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.492 -2.709 -12.924 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.938 -3.359 -11.394 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.891 -1.201 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.366 -0.543 -12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.957 -2.423 -9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.371 -1.372 -9.618 1.00 0.00 H new ATOM 1082 N ASN A 88 -17.134 -1.051 -12.751 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.451 0.128 -13.273 1.00 0.00 C ATOM 1084 C ASN A 88 -15.054 -0.228 -13.771 1.00 0.00 C ATOM 1085 O ASN A 88 -14.108 -0.320 -12.989 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.358 1.209 -12.193 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.512 2.190 -12.257 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -18.572 1.885 -12.804 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -17.312 3.377 -11.696 1.00 0.00 N ATOM 0 H ASN A 88 -17.129 -1.124 -11.734 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.031 0.510 -14.113 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.340 0.737 -11.211 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.418 1.750 -12.304 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.053 4.078 -11.708 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.418 3.588 -11.253 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.935 -0.426 -15.081 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.653 -0.769 -15.670 1.00 0.00 C ATOM 1098 C GLY A 89 -12.570 0.235 -15.327 1.00 0.00 C ATOM 1099 O GLY A 89 -11.429 -0.140 -15.057 1.00 0.00 O ATOM 0 H GLY A 89 -15.705 -0.355 -15.746 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.351 -1.757 -15.324 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.759 -0.829 -16.753 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.929 1.515 -15.335 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.979 2.575 -15.019 1.00 0.00 C ATOM 1105 C LYS A 90 -11.401 2.380 -13.622 1.00 0.00 C ATOM 1106 O LYS A 90 -10.199 2.172 -13.460 1.00 0.00 O ATOM 1107 CB LYS A 90 -12.656 3.943 -15.120 1.00 0.00 C ATOM 1108 CG LYS A 90 -11.693 5.111 -14.980 1.00 0.00 C ATOM 1109 CD LYS A 90 -11.307 5.680 -16.336 1.00 0.00 C ATOM 1110 CE LYS A 90 -10.819 7.116 -16.219 1.00 0.00 C ATOM 1111 NZ LYS A 90 -11.336 7.970 -17.324 1.00 0.00 N ATOM 0 H LYS A 90 -13.869 1.843 -15.556 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.164 2.530 -15.741 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.166 4.017 -16.081 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.420 4.019 -14.347 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.152 5.892 -14.374 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.797 4.784 -14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.526 5.064 -16.781 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.165 5.640 -17.007 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.135 7.530 -15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.729 7.131 -16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.981 8.941 -17.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.013 7.590 -18.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.376 7.977 -17.300 1.00 0.00 H new ATOM 1125 N LEU A 91 -12.266 2.447 -12.615 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.841 2.277 -11.233 1.00 0.00 C ATOM 1127 C LEU A 91 -11.162 0.930 -11.030 1.00 0.00 C ATOM 1128 O LEU A 91 -10.162 0.831 -10.319 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.035 2.402 -10.294 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.313 3.821 -9.811 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.611 3.868 -9.022 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -12.148 4.335 -8.975 1.00 0.00 C ATOM 0 H LEU A 91 -13.265 2.618 -12.732 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.121 3.062 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.922 2.024 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.868 1.763 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.421 4.471 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.795 4.888 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.435 3.542 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.536 3.208 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.362 5.349 -8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.007 3.687 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.240 4.337 -9.578 1.00 0.00 H new ATOM 1144 N SER A 92 -11.707 -0.107 -11.659 1.00 0.00 N ATOM 1145 CA SER A 92 -11.144 -1.449 -11.548 1.00 0.00 C ATOM 1146 C SER A 92 -9.635 -1.410 -11.766 1.00 0.00 C ATOM 1147 O SER A 92 -8.878 -2.108 -11.092 1.00 0.00 O ATOM 1148 CB SER A 92 -11.798 -2.391 -12.562 1.00 0.00 C ATOM 1149 OG SER A 92 -11.179 -2.286 -13.833 1.00 0.00 O ATOM 0 H SER A 92 -12.536 -0.044 -12.250 1.00 0.00 H new ATOM 0 HA SER A 92 -11.345 -1.824 -10.545 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.729 -3.419 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.858 -2.155 -12.650 1.00 0.00 H new ATOM 0 HG SER A 92 -11.171 -1.348 -14.116 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.211 -0.569 -12.703 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.796 -0.411 -13.005 1.00 0.00 C ATOM 1157 C ALA A 93 -7.116 0.436 -11.937 1.00 0.00 C ATOM 1158 O ALA A 93 -5.938 0.249 -11.634 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.617 0.220 -14.377 1.00 0.00 C ATOM 0 H ALA A 93 -9.830 0.014 -13.267 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.330 -1.396 -13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.554 0.332 -14.590 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.073 -0.419 -15.133 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.096 1.199 -14.392 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.877 1.366 -11.364 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.366 2.246 -10.318 1.00 0.00 C ATOM 1167 C ASP A 94 -6.644 1.444 -9.240 1.00 0.00 C ATOM 1168 O ASP A 94 -5.420 1.492 -9.131 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.511 3.045 -9.692 1.00 0.00 C ATOM 1170 CG ASP A 94 -8.191 4.522 -9.579 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -7.036 4.856 -9.241 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -9.096 5.346 -9.828 1.00 0.00 O ATOM 0 H ASP A 94 -8.854 1.529 -11.609 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.655 2.936 -10.772 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.411 2.916 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.729 2.647 -8.701 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.416 0.706 -8.452 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.867 -0.114 -7.379 1.00 0.00 C ATOM 1179 C PHE A 95 -5.858 -1.126 -7.923 1.00 0.00 C ATOM 1180 O PHE A 95 -4.806 -1.350 -7.323 1.00 0.00 O ATOM 1181 CB PHE A 95 -8.010 -0.824 -6.641 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.776 -2.287 -6.380 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -8.131 -3.232 -7.328 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.205 -2.716 -5.191 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.921 -4.578 -7.098 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.994 -4.060 -4.956 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.352 -4.993 -5.910 1.00 0.00 C ATOM 0 H PHE A 95 -8.431 0.659 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.337 0.531 -6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.177 -0.321 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.924 -0.714 -7.224 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.577 -2.913 -8.258 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.923 -1.991 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.201 -5.305 -7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.549 -4.382 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.187 -6.045 -5.727 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.187 -1.736 -9.059 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.312 -2.727 -9.679 1.00 0.00 C ATOM 1199 C LYS A 96 -3.894 -2.188 -9.837 1.00 0.00 C ATOM 1200 O LYS A 96 -2.917 -2.901 -9.608 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.865 -3.143 -11.043 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.993 -4.157 -10.956 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.730 -4.284 -12.278 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.018 -5.235 -13.228 1.00 0.00 C ATOM 1205 NZ LYS A 96 -6.605 -4.557 -14.488 1.00 0.00 N ATOM 0 H LYS A 96 -7.053 -1.561 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.276 -3.598 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.223 -2.257 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.056 -3.562 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.590 -5.128 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.693 -3.859 -10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.744 -4.641 -12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.816 -3.302 -12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.139 -5.650 -12.735 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.676 -6.071 -13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.124 -5.239 -15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.446 -4.183 -14.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.957 -3.775 -14.265 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.790 -0.923 -10.226 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.491 -0.284 -10.411 1.00 0.00 C ATOM 1221 C ASN A 97 -1.805 -0.063 -9.070 1.00 0.00 C ATOM 1222 O ASN A 97 -0.580 -0.135 -8.966 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.657 1.055 -11.131 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.687 0.903 -12.639 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -3.611 1.372 -13.303 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.674 0.244 -13.188 1.00 0.00 N ATOM 0 H ASN A 97 -4.589 -0.319 -10.420 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.871 -0.943 -11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.580 1.531 -10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.838 1.718 -10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.641 0.110 -14.199 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.929 -0.128 -12.599 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.604 0.211 -8.046 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.079 0.448 -6.709 1.00 0.00 C ATOM 1235 C LEU A 98 -1.596 -0.851 -6.078 1.00 0.00 C ATOM 1236 O LEU A 98 -0.427 -0.976 -5.715 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.149 1.099 -5.834 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.906 2.246 -6.501 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.205 2.532 -5.770 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.040 3.491 -6.563 1.00 0.00 C ATOM 0 H LEU A 98 -3.620 0.274 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.227 1.123 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.866 0.336 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.678 1.472 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.150 1.947 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.727 3.352 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.834 1.642 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.989 2.808 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.596 4.297 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.762 3.791 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.139 3.279 -7.140 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.494 -1.824 -5.957 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.132 -3.113 -5.378 1.00 0.00 C ATOM 1254 C LYS A 99 -0.964 -3.717 -6.142 1.00 0.00 C ATOM 1255 O LYS A 99 -0.108 -4.387 -5.566 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.323 -4.076 -5.396 1.00 0.00 C ATOM 1257 CG LYS A 99 -4.014 -4.172 -6.747 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.248 -5.619 -7.154 1.00 0.00 C ATOM 1259 CE LYS A 99 -4.179 -5.794 -8.663 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.351 -6.971 -9.052 1.00 0.00 N ATOM 0 H LYS A 99 -3.468 -1.746 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.839 -2.951 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.981 -5.068 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.049 -3.755 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.968 -3.646 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.407 -3.674 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.502 -6.256 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.223 -5.946 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.187 -5.913 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.763 -4.893 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.330 -7.054 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.382 -6.847 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.762 -7.835 -8.644 1.00 0.00 H new ATOM 1274 N THR A 100 -0.931 -3.456 -7.443 1.00 0.00 N ATOM 1275 CA THR A 100 0.136 -3.953 -8.297 1.00 0.00 C ATOM 1276 C THR A 100 1.451 -3.276 -7.932 1.00 0.00 C ATOM 1277 O THR A 100 2.434 -3.942 -7.607 1.00 0.00 O ATOM 1278 CB THR A 100 -0.215 -3.701 -9.769 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.117 -4.684 -10.242 1.00 0.00 O ATOM 1280 CG2 THR A 100 0.984 -3.699 -10.694 1.00 0.00 C ATOM 0 H THR A 100 -1.635 -2.901 -7.929 1.00 0.00 H new ATOM 0 HA THR A 100 0.248 -5.027 -8.147 1.00 0.00 H new ATOM 0 HB THR A 100 -0.660 -2.706 -9.786 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.023 -4.312 -10.265 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.654 -3.515 -11.716 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.677 -2.915 -10.389 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.484 -4.666 -10.643 1.00 0.00 H new ATOM 1288 N LYS A 101 1.459 -1.948 -7.976 1.00 0.00 N ATOM 1289 CA LYS A 101 2.652 -1.189 -7.636 1.00 0.00 C ATOM 1290 C LYS A 101 3.055 -1.476 -6.195 1.00 0.00 C ATOM 1291 O LYS A 101 4.238 -1.584 -5.878 1.00 0.00 O ATOM 1292 CB LYS A 101 2.411 0.314 -7.843 1.00 0.00 C ATOM 1293 CG LYS A 101 1.662 0.993 -6.704 1.00 0.00 C ATOM 1294 CD LYS A 101 1.690 2.507 -6.844 1.00 0.00 C ATOM 1295 CE LYS A 101 2.902 3.107 -6.149 1.00 0.00 C ATOM 1296 NZ LYS A 101 2.800 4.588 -6.029 1.00 0.00 N ATOM 0 H LYS A 101 0.656 -1.379 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 101 3.465 -1.495 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.373 0.809 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.850 0.456 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.629 0.647 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.108 0.706 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.704 2.776 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.779 2.930 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.004 2.669 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.803 2.850 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.646 4.957 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.728 5.009 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.954 4.834 -5.476 1.00 0.00 H new ATOM 1310 N TYR A 102 2.052 -1.610 -5.331 1.00 0.00 N ATOM 1311 CA TYR A 102 2.282 -1.895 -3.921 1.00 0.00 C ATOM 1312 C TYR A 102 3.052 -3.204 -3.756 1.00 0.00 C ATOM 1313 O TYR A 102 3.913 -3.323 -2.885 1.00 0.00 O ATOM 1314 CB TYR A 102 0.940 -1.948 -3.176 1.00 0.00 C ATOM 1315 CG TYR A 102 0.949 -2.784 -1.912 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.750 -2.441 -0.828 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.150 -3.914 -1.806 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.753 -3.205 0.325 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.148 -4.681 -0.657 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.950 -4.322 0.404 1.00 0.00 C ATOM 1321 OH TYR A 102 0.950 -5.085 1.548 1.00 0.00 O ATOM 0 H TYR A 102 1.068 -1.525 -5.586 1.00 0.00 H new ATOM 0 HA TYR A 102 2.887 -1.097 -3.491 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.642 -0.931 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.181 -2.343 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.379 -1.565 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.481 -4.198 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.381 -2.928 1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.479 -5.558 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 102 0.444 -5.909 1.391 1.00 0.00 H new ATOM 1331 N GLN A 103 2.741 -4.182 -4.603 1.00 0.00 N ATOM 1332 CA GLN A 103 3.413 -5.476 -4.550 1.00 0.00 C ATOM 1333 C GLN A 103 4.905 -5.317 -4.812 1.00 0.00 C ATOM 1334 O GLN A 103 5.733 -5.953 -4.162 1.00 0.00 O ATOM 1335 CB GLN A 103 2.806 -6.437 -5.577 1.00 0.00 C ATOM 1336 CG GLN A 103 1.375 -6.842 -5.268 1.00 0.00 C ATOM 1337 CD GLN A 103 1.157 -8.339 -5.366 1.00 0.00 C ATOM 1338 OE1 GLN A 103 1.143 -9.044 -4.356 1.00 0.00 O ATOM 1339 NE2 GLN A 103 0.986 -8.833 -6.587 1.00 0.00 N ATOM 0 H GLN A 103 2.031 -4.103 -5.331 1.00 0.00 H new ATOM 0 HA GLN A 103 3.274 -5.890 -3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.837 -5.969 -6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.424 -7.333 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.115 -6.506 -4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.701 -6.335 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.005 -8.212 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.836 -9.834 -6.716 1.00 0.00 H new ATOM 1348 N SER A 104 5.242 -4.461 -5.769 1.00 0.00 N ATOM 1349 CA SER A 104 6.636 -4.214 -6.113 1.00 0.00 C ATOM 1350 C SER A 104 7.377 -3.589 -4.940 1.00 0.00 C ATOM 1351 O SER A 104 8.564 -3.839 -4.734 1.00 0.00 O ATOM 1352 CB SER A 104 6.722 -3.283 -7.319 1.00 0.00 C ATOM 1353 OG SER A 104 5.840 -3.694 -8.349 1.00 0.00 O ATOM 0 H SER A 104 4.570 -3.927 -6.320 1.00 0.00 H new ATOM 0 HA SER A 104 7.100 -5.170 -6.356 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.479 -2.265 -7.014 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.744 -3.267 -7.697 1.00 0.00 H new ATOM 0 HG SER A 104 5.915 -3.079 -9.108 1.00 0.00 H new ATOM 1359 N LEU A 105 6.665 -2.768 -4.179 1.00 0.00 N ATOM 1360 CA LEU A 105 7.243 -2.093 -3.029 1.00 0.00 C ATOM 1361 C LEU A 105 7.617 -3.086 -1.943 1.00 0.00 C ATOM 1362 O LEU A 105 8.735 -3.066 -1.429 1.00 0.00 O ATOM 1363 CB LEU A 105 6.250 -1.075 -2.473 1.00 0.00 C ATOM 1364 CG LEU A 105 5.691 -0.095 -3.500 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.522 0.684 -2.917 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.785 0.844 -3.976 1.00 0.00 C ATOM 0 H LEU A 105 5.681 -2.554 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 105 8.149 -1.582 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.419 -1.612 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.738 -0.508 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 105 5.324 -0.659 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.138 1.377 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.733 -0.009 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.857 1.242 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.375 1.539 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.180 1.403 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.587 0.265 -4.434 1.00 0.00 H new ATOM 1378 N GLN A 106 6.676 -3.952 -1.596 1.00 0.00 N ATOM 1379 CA GLN A 106 6.919 -4.952 -0.560 1.00 0.00 C ATOM 1380 C GLN A 106 8.121 -5.817 -0.927 1.00 0.00 C ATOM 1381 O GLN A 106 8.930 -6.174 -0.071 1.00 0.00 O ATOM 1382 CB GLN A 106 5.689 -5.850 -0.328 1.00 0.00 C ATOM 1383 CG GLN A 106 4.514 -5.593 -1.260 1.00 0.00 C ATOM 1384 CD GLN A 106 3.490 -6.711 -1.223 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.450 -7.561 -2.112 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.658 -6.717 -0.190 1.00 0.00 N ATOM 0 H GLN A 106 5.745 -3.985 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 106 7.124 -4.414 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.994 -6.891 -0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.352 -5.719 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.033 -4.655 -0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.882 -5.475 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.727 -5.992 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.949 -7.446 -0.110 1.00 0.00 H new ATOM 1395 N GLN A 107 8.222 -6.154 -2.209 1.00 0.00 N ATOM 1396 CA GLN A 107 9.314 -6.986 -2.706 1.00 0.00 C ATOM 1397 C GLN A 107 10.648 -6.244 -2.673 1.00 0.00 C ATOM 1398 O GLN A 107 11.642 -6.763 -2.165 1.00 0.00 O ATOM 1399 CB GLN A 107 9.018 -7.448 -4.134 1.00 0.00 C ATOM 1400 CG GLN A 107 7.593 -7.939 -4.334 1.00 0.00 C ATOM 1401 CD GLN A 107 7.527 -9.413 -4.683 1.00 0.00 C ATOM 1402 OE1 GLN A 107 7.499 -10.271 -3.801 1.00 0.00 O ATOM 1403 NE2 GLN A 107 7.504 -9.715 -5.976 1.00 0.00 N ATOM 0 H GLN A 107 7.558 -5.862 -2.926 1.00 0.00 H new ATOM 0 HA GLN A 107 9.392 -7.852 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.208 -6.623 -4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.709 -8.248 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.020 -7.759 -3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.121 -7.360 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.529 -8.972 -6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.462 -10.690 -6.271 1.00 0.00 H new ATOM 1412 N SER A 108 10.671 -5.034 -3.225 1.00 0.00 N ATOM 1413 CA SER A 108 11.893 -4.238 -3.261 1.00 0.00 C ATOM 1414 C SER A 108 12.400 -3.949 -1.852 1.00 0.00 C ATOM 1415 O SER A 108 13.607 -3.895 -1.611 1.00 0.00 O ATOM 1416 CB SER A 108 11.648 -2.924 -4.006 1.00 0.00 C ATOM 1417 OG SER A 108 12.830 -2.469 -4.641 1.00 0.00 O ATOM 0 H SER A 108 9.861 -4.585 -3.652 1.00 0.00 H new ATOM 0 HA SER A 108 12.654 -4.813 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.863 -3.065 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.293 -2.167 -3.307 1.00 0.00 H new ATOM 0 HG SER A 108 12.646 -1.629 -5.111 1.00 0.00 H new ATOM 1423 N TYR A 109 11.468 -3.759 -0.929 1.00 0.00 N ATOM 1424 CA TYR A 109 11.809 -3.465 0.456 1.00 0.00 C ATOM 1425 C TYR A 109 12.101 -4.741 1.233 1.00 0.00 C ATOM 1426 O TYR A 109 13.064 -4.803 1.998 1.00 0.00 O ATOM 1427 CB TYR A 109 10.666 -2.670 1.099 1.00 0.00 C ATOM 1428 CG TYR A 109 10.196 -3.158 2.458 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.087 -3.362 3.506 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.849 -3.397 2.690 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.647 -3.792 4.742 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.402 -3.826 3.921 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.304 -4.022 4.945 1.00 0.00 C ATOM 1434 OH TYR A 109 8.861 -4.451 6.175 1.00 0.00 O ATOM 0 H TYR A 109 10.466 -3.803 -1.115 1.00 0.00 H new ATOM 0 HA TYR A 109 12.717 -2.863 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.983 -1.632 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.815 -2.680 0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.140 -3.181 3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.138 -3.244 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.352 -3.947 5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.350 -4.008 4.083 1.00 0.00 H new ATOM 0 HH TYR A 109 9.453 -4.104 6.875 1.00 0.00 H new ATOM 1444 N ASN A 110 11.268 -5.756 1.044 1.00 0.00 N ATOM 1445 CA ASN A 110 11.453 -7.019 1.745 1.00 0.00 C ATOM 1446 C ASN A 110 12.879 -7.521 1.567 1.00 0.00 C ATOM 1447 O ASN A 110 13.511 -7.985 2.516 1.00 0.00 O ATOM 1448 CB ASN A 110 10.457 -8.067 1.246 1.00 0.00 C ATOM 1449 CG ASN A 110 9.125 -7.990 1.965 1.00 0.00 C ATOM 1450 OD1 ASN A 110 9.063 -7.648 3.146 1.00 0.00 O ATOM 1451 ND2 ASN A 110 8.049 -8.308 1.254 1.00 0.00 N ATOM 0 H ASN A 110 10.464 -5.730 0.417 1.00 0.00 H new ATOM 0 HA ASN A 110 11.271 -6.849 2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.297 -7.931 0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.882 -9.061 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.125 -8.274 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.147 -8.586 0.278 1.00 0.00 H new ATOM 1458 N GLN A 111 13.393 -7.408 0.350 1.00 0.00 N ATOM 1459 CA GLN A 111 14.756 -7.834 0.074 1.00 0.00 C ATOM 1460 C GLN A 111 15.731 -6.949 0.833 1.00 0.00 C ATOM 1461 O GLN A 111 16.525 -7.428 1.641 1.00 0.00 O ATOM 1462 CB GLN A 111 15.066 -7.784 -1.425 1.00 0.00 C ATOM 1463 CG GLN A 111 14.706 -6.473 -2.103 1.00 0.00 C ATOM 1464 CD GLN A 111 14.581 -6.616 -3.607 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.489 -6.825 -4.135 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.706 -6.507 -4.305 1.00 0.00 N ATOM 0 H GLN A 111 12.892 -7.029 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 111 14.862 -8.868 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.130 -7.972 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.530 -8.593 -1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.765 -6.103 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.467 -5.727 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.589 -6.333 -3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.687 -6.597 -5.321 1.00 0.00 H new ATOM 1475 N ARG A 112 15.648 -5.649 0.570 1.00 0.00 N ATOM 1476 CA ARG A 112 16.504 -4.666 1.222 1.00 0.00 C ATOM 1477 C ARG A 112 16.517 -4.868 2.733 1.00 0.00 C ATOM 1478 O ARG A 112 17.561 -4.763 3.376 1.00 0.00 O ATOM 1479 CB ARG A 112 16.022 -3.252 0.895 1.00 0.00 C ATOM 1480 CG ARG A 112 16.826 -2.570 -0.198 1.00 0.00 C ATOM 1481 CD ARG A 112 16.839 -1.060 -0.016 1.00 0.00 C ATOM 1482 NE ARG A 112 15.945 -0.389 -0.957 1.00 0.00 N ATOM 1483 CZ ARG A 112 16.007 0.911 -1.240 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.919 1.681 -0.660 1.00 0.00 N ATOM 1485 NH2 ARG A 112 15.155 1.441 -2.107 1.00 0.00 N ATOM 0 H ARG A 112 14.989 -5.249 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 112 17.519 -4.800 0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.976 -3.296 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.066 -2.645 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.848 -2.948 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.403 -2.817 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.542 -0.815 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.854 -0.687 -0.151 1.00 0.00 H new ATOM 0 HE ARG A 112 15.232 -0.949 -1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.577 1.278 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.962 2.676 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 112 14.453 0.853 -2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 112 15.202 2.436 -2.324 1.00 0.00 H new ATOM 1499 N LYS A 113 15.347 -5.157 3.293 1.00 0.00 N ATOM 1500 CA LYS A 113 15.227 -5.370 4.730 1.00 0.00 C ATOM 1501 C LYS A 113 16.050 -6.582 5.163 1.00 0.00 C ATOM 1502 O LYS A 113 16.532 -6.647 6.294 1.00 0.00 O ATOM 1503 CB LYS A 113 13.750 -5.523 5.131 1.00 0.00 C ATOM 1504 CG LYS A 113 13.191 -6.937 5.016 1.00 0.00 C ATOM 1505 CD LYS A 113 12.367 -7.308 6.238 1.00 0.00 C ATOM 1506 CE LYS A 113 11.000 -6.642 6.209 1.00 0.00 C ATOM 1507 NZ LYS A 113 9.918 -7.577 6.625 1.00 0.00 N ATOM 0 H LYS A 113 14.472 -5.249 2.776 1.00 0.00 H new ATOM 0 HA LYS A 113 15.624 -4.496 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.632 -5.185 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.150 -4.860 4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.573 -7.014 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 113 14.011 -7.646 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.245 -8.390 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.899 -7.010 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.004 -5.775 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.796 -6.275 5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.002 -7.085 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.897 -8.392 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.098 -7.907 7.594 1.00 0.00 H new ATOM 1521 N SER A 114 16.214 -7.534 4.249 1.00 0.00 N ATOM 1522 CA SER A 114 16.987 -8.739 4.527 1.00 0.00 C ATOM 1523 C SER A 114 18.480 -8.474 4.349 1.00 0.00 C ATOM 1524 O SER A 114 19.317 -9.141 4.957 1.00 0.00 O ATOM 1525 CB SER A 114 16.546 -9.877 3.606 1.00 0.00 C ATOM 1526 OG SER A 114 15.411 -10.546 4.128 1.00 0.00 O ATOM 0 H SER A 114 15.821 -7.494 3.309 1.00 0.00 H new ATOM 0 HA SER A 114 16.806 -9.030 5.562 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.315 -9.480 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.364 -10.586 3.482 1.00 0.00 H new ATOM 0 HG SER A 114 15.148 -11.268 3.520 1.00 0.00 H new