USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 562 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 94 HIS HD1 : A 94 HIS ND1 : A 202 ZNZN :(H bumps) USER MOD Single : A 38 GLN : amide:sc= -0.244 K(o=-0.24,f=-3.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.368 K(o=-0.37,f=-5.9!) USER MOD Single : A 66 SER OG : rot -131:sc= 1.32 USER MOD Single : A 69 CYS SG : rot 61:sc= 0.885 USER MOD Single : A 71 LYS NZ :NH3+ -135:sc= 1.24 (180deg=0.594) USER MOD Single : A 72 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1.1) USER MOD Single : A 74 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.044) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= 0.747 (180deg=-1.53!) USER MOD Single : A 78 SER OG : rot -46:sc= 1.43 USER MOD Single : A 81 SER OG : rot 41:sc= 0.154 USER MOD Single : A 82 TYR OH : rot 2:sc= 1.23 USER MOD Single : A 86 HIS :FLIP no HE2:sc= -0.201 F(o=-2.1,f=-0.2) USER MOD Single : A 90 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= 2.5 (180deg=0.382) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 97 GLN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 141:sc= -0.654 (180deg=-2.61!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 1.07 K(o=1.1,f=-0.027) USER MOD Single : A 105 TYR OH : rot 180:sc=-0.00445 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 -17.433 -4.112 8.190 1.00 8.49 N ATOM 2 CA ARG A 36 -17.495 -3.215 7.042 1.00 8.09 C ATOM 3 C ARG A 36 -17.885 -4.000 5.810 1.00 7.16 C ATOM 4 O ARG A 36 -17.051 -4.299 4.952 1.00 7.20 O ATOM 5 CB ARG A 36 -16.144 -2.520 6.813 1.00 8.73 C ATOM 6 CG ARG A 36 -15.719 -1.559 7.916 1.00 9.34 C ATOM 7 CD ARG A 36 -16.636 -0.350 7.986 1.00 9.76 C ATOM 8 NE ARG A 36 -16.631 0.415 6.740 1.00 10.25 N ATOM 9 CZ ARG A 36 -17.570 1.296 6.378 1.00 10.86 C ATOM 10 NH1 ARG A 36 -18.642 1.489 7.124 1.00 11.04 N ATOM 11 NH2 ARG A 36 -17.429 1.961 5.263 1.00 11.43 N ATOM 0 HA ARG A 36 -18.243 -2.447 7.241 1.00 8.09 H new ATOM 0 HB2 ARG A 36 -15.374 -3.283 6.701 1.00 8.73 H new ATOM 0 HB3 ARG A 36 -16.189 -1.972 5.872 1.00 8.73 H new ATOM 0 HG2 ARG A 36 -15.726 -2.078 8.875 1.00 9.34 H new ATOM 0 HG3 ARG A 36 -14.695 -1.230 7.739 1.00 9.34 H new ATOM 0 HD2 ARG A 36 -17.652 -0.678 8.206 1.00 9.76 H new ATOM 0 HD3 ARG A 36 -16.324 0.294 8.808 1.00 9.76 H new ATOM 0 HE ARG A 36 -15.852 0.265 6.098 1.00 10.25 H new ATOM 0 HH11 ARG A 36 -18.763 0.963 7.989 1.00 11.04 H new ATOM 0 HH12 ARG A 36 -19.350 2.164 6.835 1.00 11.04 H new ATOM 0 HH21 ARG A 36 -16.608 1.806 4.677 1.00 11.43 H new ATOM 0 HH22 ARG A 36 -18.139 2.635 4.978 1.00 11.43 H new ATOM 27 N ALA A 37 -19.147 -4.348 5.731 1.00 6.54 N ATOM 28 CA ALA A 37 -19.655 -5.104 4.611 1.00 5.87 C ATOM 29 C ALA A 37 -20.310 -4.180 3.606 1.00 4.78 C ATOM 30 O ALA A 37 -20.561 -4.561 2.453 1.00 4.82 O ATOM 31 CB ALA A 37 -20.634 -6.151 5.083 1.00 6.41 C ATOM 0 H ALA A 37 -19.847 -4.117 6.436 1.00 6.54 H new ATOM 0 HA ALA A 37 -18.820 -5.608 4.125 1.00 5.87 H new ATOM 0 HB1 ALA A 37 -21.008 -6.712 4.227 1.00 6.41 H new ATOM 0 HB2 ALA A 37 -20.135 -6.831 5.773 1.00 6.41 H new ATOM 0 HB3 ALA A 37 -21.468 -5.667 5.591 1.00 6.41 H new ATOM 37 N GLN A 38 -20.614 -2.979 4.035 1.00 4.17 N ATOM 38 CA GLN A 38 -21.174 -2.003 3.151 1.00 3.41 C ATOM 39 C GLN A 38 -20.032 -1.385 2.383 1.00 2.53 C ATOM 40 O GLN A 38 -19.139 -0.749 2.964 1.00 2.77 O ATOM 41 CB GLN A 38 -21.989 -0.972 3.923 1.00 4.03 C ATOM 42 CG GLN A 38 -22.756 -0.004 3.045 1.00 4.53 C ATOM 43 CD GLN A 38 -23.747 0.812 3.838 1.00 4.94 C ATOM 44 OE1 GLN A 38 -23.440 1.907 4.336 1.00 4.96 O ATOM 45 NE2 GLN A 38 -24.940 0.296 3.971 1.00 5.66 N ATOM 0 H GLN A 38 -20.480 -2.660 4.994 1.00 4.17 H new ATOM 0 HA GLN A 38 -21.872 -2.463 2.451 1.00 3.41 H new ATOM 0 HB2 GLN A 38 -22.693 -1.493 4.571 1.00 4.03 H new ATOM 0 HB3 GLN A 38 -21.319 -0.406 4.570 1.00 4.03 H new ATOM 0 HG2 GLN A 38 -22.056 0.663 2.543 1.00 4.53 H new ATOM 0 HG3 GLN A 38 -23.282 -0.558 2.267 1.00 4.53 H new ATOM 0 HE21 GLN A 38 -25.155 -0.606 3.547 1.00 5.66 H new ATOM 0 HE22 GLN A 38 -25.656 0.796 4.498 1.00 5.66 H new ATOM 54 N VAL A 39 -20.038 -1.607 1.096 1.00 2.13 N ATOM 55 CA VAL A 39 -18.940 -1.235 0.246 1.00 1.81 C ATOM 56 C VAL A 39 -18.906 0.263 -0.041 1.00 1.43 C ATOM 57 O VAL A 39 -19.389 0.744 -1.076 1.00 2.28 O ATOM 58 CB VAL A 39 -18.934 -2.061 -1.072 1.00 2.82 C ATOM 59 CG1 VAL A 39 -17.721 -1.734 -1.934 1.00 3.61 C ATOM 60 CG2 VAL A 39 -18.970 -3.548 -0.760 1.00 3.61 C ATOM 0 H VAL A 39 -20.811 -2.055 0.604 1.00 2.13 H new ATOM 0 HA VAL A 39 -18.029 -1.472 0.795 1.00 1.81 H new ATOM 0 HB VAL A 39 -19.826 -1.791 -1.637 1.00 2.82 H new ATOM 0 HG11 VAL A 39 -17.751 -2.330 -2.846 1.00 3.61 H new ATOM 0 HG12 VAL A 39 -17.733 -0.675 -2.192 1.00 3.61 H new ATOM 0 HG13 VAL A 39 -16.810 -1.962 -1.381 1.00 3.61 H new ATOM 0 HG21 VAL A 39 -18.965 -4.115 -1.691 1.00 3.61 H new ATOM 0 HG22 VAL A 39 -18.096 -3.817 -0.167 1.00 3.61 H new ATOM 0 HG23 VAL A 39 -19.875 -3.780 -0.198 1.00 3.61 H new ATOM 70 N LYS A 40 -18.401 0.991 0.909 1.00 0.73 N ATOM 71 CA LYS A 40 -18.116 2.395 0.747 1.00 0.83 C ATOM 72 C LYS A 40 -16.672 2.606 1.076 1.00 0.55 C ATOM 73 O LYS A 40 -16.239 3.704 1.432 1.00 0.71 O ATOM 74 CB LYS A 40 -18.993 3.302 1.614 1.00 1.56 C ATOM 75 CG LYS A 40 -20.482 3.264 1.298 1.00 1.93 C ATOM 76 CD LYS A 40 -21.222 4.392 2.014 1.00 2.54 C ATOM 77 CE LYS A 40 -21.104 4.298 3.528 1.00 3.45 C ATOM 78 NZ LYS A 40 -21.686 5.479 4.197 1.00 3.90 N ATOM 0 H LYS A 40 -18.170 0.626 1.833 1.00 0.73 H new ATOM 0 HA LYS A 40 -18.339 2.671 -0.284 1.00 0.83 H new ATOM 0 HB2 LYS A 40 -18.853 3.024 2.659 1.00 1.56 H new ATOM 0 HB3 LYS A 40 -18.642 4.328 1.508 1.00 1.56 H new ATOM 0 HG2 LYS A 40 -20.631 3.352 0.222 1.00 1.93 H new ATOM 0 HG3 LYS A 40 -20.897 2.303 1.600 1.00 1.93 H new ATOM 0 HD2 LYS A 40 -20.825 5.351 1.681 1.00 2.54 H new ATOM 0 HD3 LYS A 40 -22.275 4.367 1.733 1.00 2.54 H new ATOM 0 HE2 LYS A 40 -21.609 3.397 3.877 1.00 3.45 H new ATOM 0 HE3 LYS A 40 -20.054 4.203 3.806 1.00 3.45 H new ATOM 0 HZ1 LYS A 40 -21.587 5.378 5.227 1.00 3.90 H new ATOM 0 HZ2 LYS A 40 -21.188 6.336 3.883 1.00 3.90 H new ATOM 0 HZ3 LYS A 40 -22.694 5.555 3.952 1.00 3.90 H new ATOM 92 N GLU A 41 -15.932 1.553 0.914 1.00 0.35 N ATOM 93 CA GLU A 41 -14.536 1.554 1.224 1.00 0.17 C ATOM 94 C GLU A 41 -13.825 2.009 0.020 1.00 0.12 C ATOM 95 O GLU A 41 -14.037 1.479 -1.065 1.00 0.15 O ATOM 96 CB GLU A 41 -14.039 0.145 1.530 1.00 0.50 C ATOM 97 CG GLU A 41 -14.762 -0.576 2.632 1.00 0.23 C ATOM 98 CD GLU A 41 -14.647 0.095 3.981 1.00 0.75 C ATOM 99 OE1 GLU A 41 -15.216 1.171 4.165 1.00 1.13 O ATOM 100 OE2 GLU A 41 -14.031 -0.484 4.894 1.00 1.27 O ATOM 0 H GLU A 41 -16.282 0.663 0.561 1.00 0.35 H new ATOM 0 HA GLU A 41 -14.363 2.192 2.090 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -14.113 -0.452 0.621 1.00 0.50 H new ATOM 0 HB3 GLU A 41 -12.982 0.201 1.790 1.00 0.50 H new ATOM 0 HG2 GLU A 41 -15.816 -0.660 2.368 1.00 0.23 H new ATOM 0 HG3 GLU A 41 -14.370 -1.590 2.707 1.00 0.23 H new ATOM 107 N THR A 42 -12.992 2.943 0.173 1.00 0.11 N ATOM 108 CA THR A 42 -12.267 3.400 -0.947 1.00 0.10 C ATOM 109 C THR A 42 -10.801 3.203 -0.649 1.00 0.09 C ATOM 110 O THR A 42 -10.368 3.322 0.491 1.00 0.11 O ATOM 111 CB THR A 42 -12.545 4.867 -1.262 1.00 0.13 C ATOM 112 OG1 THR A 42 -13.719 5.301 -0.544 1.00 0.15 O ATOM 113 CG2 THR A 42 -12.818 5.014 -2.754 1.00 0.14 C ATOM 0 H THR A 42 -12.787 3.413 1.055 1.00 0.11 H new ATOM 0 HA THR A 42 -12.575 2.833 -1.826 1.00 0.10 H new ATOM 0 HB THR A 42 -11.683 5.467 -0.970 1.00 0.13 H new ATOM 0 HG1 THR A 42 -13.896 6.244 -0.745 1.00 0.15 H new ATOM 0 HG21 THR A 42 -13.018 6.060 -2.986 1.00 0.14 H new ATOM 0 HG22 THR A 42 -11.948 4.677 -3.318 1.00 0.14 H new ATOM 0 HG23 THR A 42 -13.684 4.410 -3.027 1.00 0.14 H new ATOM 121 N CYS A 43 -10.072 2.882 -1.645 1.00 0.07 N ATOM 122 CA CYS A 43 -8.692 2.568 -1.533 1.00 0.06 C ATOM 123 C CYS A 43 -7.837 3.822 -1.540 1.00 0.09 C ATOM 124 O CYS A 43 -8.250 4.853 -2.040 1.00 0.11 O ATOM 125 CB CYS A 43 -8.386 1.627 -2.676 1.00 0.06 C ATOM 126 SG CYS A 43 -6.731 1.582 -3.309 1.00 0.08 S ATOM 0 H CYS A 43 -10.427 2.827 -2.600 1.00 0.07 H new ATOM 0 HA CYS A 43 -8.459 2.087 -0.583 1.00 0.06 H new ATOM 0 HB2 CYS A 43 -8.646 0.618 -2.355 1.00 0.06 H new ATOM 0 HB3 CYS A 43 -9.051 1.880 -3.502 1.00 0.06 H new ATOM 131 N ALA A 44 -6.677 3.740 -0.923 1.00 0.09 N ATOM 132 CA ALA A 44 -5.755 4.856 -0.871 1.00 0.12 C ATOM 133 C ALA A 44 -4.587 4.684 -1.832 1.00 0.12 C ATOM 134 O ALA A 44 -3.927 5.643 -2.177 1.00 0.14 O ATOM 135 CB ALA A 44 -5.235 5.032 0.529 1.00 0.13 C ATOM 0 H ALA A 44 -6.347 2.902 -0.445 1.00 0.09 H new ATOM 0 HA ALA A 44 -6.307 5.744 -1.177 1.00 0.12 H new ATOM 0 HB1 ALA A 44 -4.543 5.874 0.557 1.00 0.13 H new ATOM 0 HB2 ALA A 44 -6.068 5.225 1.205 1.00 0.13 H new ATOM 0 HB3 ALA A 44 -4.717 4.125 0.841 1.00 0.13 H new ATOM 141 N ALA A 45 -4.359 3.460 -2.292 1.00 0.11 N ATOM 142 CA ALA A 45 -3.199 3.180 -3.122 1.00 0.12 C ATOM 143 C ALA A 45 -3.520 3.326 -4.601 1.00 0.13 C ATOM 144 O ALA A 45 -2.650 3.613 -5.413 1.00 0.14 O ATOM 145 CB ALA A 45 -2.680 1.795 -2.818 1.00 0.12 C ATOM 0 H ALA A 45 -4.956 2.654 -2.106 1.00 0.11 H new ATOM 0 HA ALA A 45 -2.425 3.911 -2.889 1.00 0.12 H new ATOM 0 HB1 ALA A 45 -1.810 1.587 -3.441 1.00 0.12 H new ATOM 0 HB2 ALA A 45 -2.396 1.735 -1.767 1.00 0.12 H new ATOM 0 HB3 ALA A 45 -3.459 1.061 -3.025 1.00 0.12 H new ATOM 151 N CYS A 46 -4.767 3.099 -4.939 1.00 0.12 N ATOM 152 CA CYS A 46 -5.227 3.232 -6.303 1.00 0.13 C ATOM 153 C CYS A 46 -6.576 3.972 -6.358 1.00 0.13 C ATOM 154 O CYS A 46 -7.167 4.135 -7.409 1.00 0.14 O ATOM 155 CB CYS A 46 -5.209 1.849 -7.034 1.00 0.12 C ATOM 156 SG CYS A 46 -6.644 0.736 -6.856 1.00 0.11 S ATOM 0 H CYS A 46 -5.491 2.817 -4.278 1.00 0.12 H new ATOM 0 HA CYS A 46 -4.534 3.861 -6.862 1.00 0.13 H new ATOM 0 HB2 CYS A 46 -5.071 2.041 -8.098 1.00 0.12 H new ATOM 0 HB3 CYS A 46 -4.328 1.307 -6.691 1.00 0.12 H new ATOM 161 N GLN A 47 -7.026 4.434 -5.166 1.00 0.12 N ATOM 162 CA GLN A 47 -8.280 5.202 -4.966 1.00 0.13 C ATOM 163 C GLN A 47 -9.523 4.668 -5.698 1.00 0.12 C ATOM 164 O GLN A 47 -10.377 5.421 -6.161 1.00 0.14 O ATOM 165 CB GLN A 47 -8.074 6.701 -5.129 1.00 0.15 C ATOM 166 CG GLN A 47 -7.149 7.255 -4.051 1.00 0.15 C ATOM 167 CD GLN A 47 -6.828 8.730 -4.189 1.00 0.19 C ATOM 168 OE1 GLN A 47 -7.629 9.521 -4.692 1.00 1.04 O ATOM 169 NE2 GLN A 47 -5.662 9.115 -3.735 1.00 1.17 N ATOM 0 H GLN A 47 -6.515 4.280 -4.297 1.00 0.12 H new ATOM 0 HA GLN A 47 -8.531 5.027 -3.920 1.00 0.13 H new ATOM 0 HB2 GLN A 47 -7.653 6.907 -6.113 1.00 0.15 H new ATOM 0 HB3 GLN A 47 -9.037 7.210 -5.081 1.00 0.15 H new ATOM 0 HG2 GLN A 47 -7.607 7.086 -3.076 1.00 0.15 H new ATOM 0 HG3 GLN A 47 -6.216 6.691 -4.067 1.00 0.15 H new ATOM 0 HE21 GLN A 47 -5.024 8.433 -3.325 1.00 1.17 H new ATOM 0 HE22 GLN A 47 -5.392 10.097 -3.791 1.00 1.17 H new ATOM 178 N LYS A 48 -9.596 3.371 -5.775 1.00 0.11 N ATOM 179 CA LYS A 48 -10.703 2.647 -6.352 1.00 0.11 C ATOM 180 C LYS A 48 -11.490 2.079 -5.214 1.00 0.09 C ATOM 181 O LYS A 48 -10.932 1.871 -4.139 1.00 0.07 O ATOM 182 CB LYS A 48 -10.168 1.504 -7.228 1.00 0.12 C ATOM 183 CG LYS A 48 -9.412 1.951 -8.470 1.00 0.14 C ATOM 184 CD LYS A 48 -10.311 2.685 -9.429 1.00 0.17 C ATOM 185 CE LYS A 48 -11.387 1.756 -9.986 1.00 0.21 C ATOM 186 NZ LYS A 48 -12.281 2.428 -10.935 1.00 1.20 N ATOM 0 H LYS A 48 -8.859 2.760 -5.425 1.00 0.11 H new ATOM 0 HA LYS A 48 -11.320 3.299 -6.971 1.00 0.11 H new ATOM 0 HB2 LYS A 48 -9.509 0.880 -6.624 1.00 0.12 H new ATOM 0 HB3 LYS A 48 -11.006 0.878 -7.536 1.00 0.12 H new ATOM 0 HG2 LYS A 48 -8.583 2.597 -8.180 1.00 0.14 H new ATOM 0 HG3 LYS A 48 -8.980 1.082 -8.967 1.00 0.14 H new ATOM 0 HD2 LYS A 48 -10.780 3.528 -8.922 1.00 0.17 H new ATOM 0 HD3 LYS A 48 -9.719 3.095 -10.248 1.00 0.17 H new ATOM 0 HE2 LYS A 48 -10.910 0.910 -10.480 1.00 0.21 H new ATOM 0 HE3 LYS A 48 -11.976 1.354 -9.162 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 -12.991 1.752 -11.281 1.00 1.20 H new ATOM 0 HZ2 LYS A 48 -12.760 3.220 -10.460 1.00 1.20 H new ATOM 0 HZ3 LYS A 48 -11.727 2.790 -11.737 1.00 1.20 H new ATOM 200 N THR A 49 -12.759 1.901 -5.394 1.00 0.11 N ATOM 201 CA THR A 49 -13.574 1.315 -4.376 1.00 0.10 C ATOM 202 C THR A 49 -13.133 -0.130 -4.111 1.00 0.09 C ATOM 203 O THR A 49 -12.921 -0.915 -5.055 1.00 0.10 O ATOM 204 CB THR A 49 -15.018 1.341 -4.791 1.00 0.13 C ATOM 205 OG1 THR A 49 -15.296 2.588 -5.457 1.00 0.14 O ATOM 206 CG2 THR A 49 -15.883 1.229 -3.562 1.00 0.14 C ATOM 0 H THR A 49 -13.259 2.156 -6.246 1.00 0.11 H new ATOM 0 HA THR A 49 -13.458 1.894 -3.460 1.00 0.10 H new ATOM 0 HB THR A 49 -15.226 0.511 -5.466 1.00 0.13 H new ATOM 0 HG1 THR A 49 -16.237 2.610 -5.732 1.00 0.14 H new ATOM 0 HG21 THR A 49 -16.933 1.247 -3.853 1.00 0.14 H new ATOM 0 HG22 THR A 49 -15.665 0.293 -3.048 1.00 0.14 H new ATOM 0 HG23 THR A 49 -15.677 2.066 -2.895 1.00 0.14 H new ATOM 214 N VAL A 50 -12.958 -0.471 -2.853 1.00 0.07 N ATOM 215 CA VAL A 50 -12.467 -1.782 -2.506 1.00 0.07 C ATOM 216 C VAL A 50 -13.621 -2.681 -2.200 1.00 0.08 C ATOM 217 O VAL A 50 -14.547 -2.291 -1.491 1.00 0.08 O ATOM 218 CB VAL A 50 -11.513 -1.782 -1.295 1.00 0.06 C ATOM 219 CG1 VAL A 50 -10.451 -2.818 -1.522 1.00 0.06 C ATOM 220 CG2 VAL A 50 -10.907 -0.417 -1.070 1.00 0.06 C ATOM 0 H VAL A 50 -13.148 0.140 -2.058 1.00 0.07 H new ATOM 0 HA VAL A 50 -11.900 -2.135 -3.367 1.00 0.07 H new ATOM 0 HB VAL A 50 -12.074 -2.026 -0.393 1.00 0.06 H new ATOM 0 HG11 VAL A 50 -9.767 -2.830 -0.673 1.00 0.06 H new ATOM 0 HG12 VAL A 50 -10.916 -3.798 -1.628 1.00 0.06 H new ATOM 0 HG13 VAL A 50 -9.898 -2.579 -2.430 1.00 0.06 H new ATOM 0 HG21 VAL A 50 -10.240 -0.453 -0.209 1.00 0.06 H new ATOM 0 HG22 VAL A 50 -10.343 -0.119 -1.954 1.00 0.06 H new ATOM 0 HG23 VAL A 50 -11.700 0.307 -0.885 1.00 0.06 H new ATOM 230 N TYR A 51 -13.571 -3.868 -2.712 1.00 0.09 N ATOM 231 CA TYR A 51 -14.649 -4.796 -2.540 1.00 0.11 C ATOM 232 C TYR A 51 -14.199 -5.807 -1.494 1.00 0.10 C ATOM 233 O TYR A 51 -12.997 -6.000 -1.348 1.00 0.10 O ATOM 234 CB TYR A 51 -14.964 -5.455 -3.883 1.00 0.14 C ATOM 235 CG TYR A 51 -15.013 -4.477 -5.030 1.00 0.23 C ATOM 236 CD1 TYR A 51 -15.882 -3.412 -5.016 1.00 0.21 C ATOM 237 CD2 TYR A 51 -14.174 -4.624 -6.116 1.00 0.43 C ATOM 238 CE1 TYR A 51 -15.924 -2.508 -6.056 1.00 0.32 C ATOM 239 CE2 TYR A 51 -14.201 -3.735 -7.162 1.00 0.57 C ATOM 240 CZ TYR A 51 -15.075 -2.678 -7.130 1.00 0.50 C ATOM 241 OH TYR A 51 -15.098 -1.792 -8.175 1.00 0.64 O ATOM 0 H TYR A 51 -12.787 -4.224 -3.259 1.00 0.09 H new ATOM 0 HA TYR A 51 -15.564 -4.310 -2.201 1.00 0.11 H new ATOM 0 HB2 TYR A 51 -14.210 -6.214 -4.093 1.00 0.14 H new ATOM 0 HB3 TYR A 51 -15.922 -5.969 -3.812 1.00 0.14 H new ATOM 0 HD1 TYR A 51 -16.545 -3.281 -4.174 1.00 0.21 H new ATOM 0 HD2 TYR A 51 -13.483 -5.454 -6.144 1.00 0.43 H new ATOM 0 HE1 TYR A 51 -16.613 -1.677 -6.030 1.00 0.32 H new ATOM 0 HE2 TYR A 51 -13.538 -3.867 -8.005 1.00 0.57 H new ATOM 0 HH TYR A 51 -14.436 -2.060 -8.846 1.00 0.64 H new ATOM 251 N PRO A 52 -15.129 -6.488 -0.788 1.00 0.11 N ATOM 252 CA PRO A 52 -14.814 -7.324 0.393 1.00 0.12 C ATOM 253 C PRO A 52 -13.620 -8.289 0.258 1.00 0.15 C ATOM 254 O PRO A 52 -12.825 -8.413 1.197 1.00 0.16 O ATOM 255 CB PRO A 52 -16.084 -8.106 0.618 1.00 0.14 C ATOM 256 CG PRO A 52 -17.166 -7.227 0.105 1.00 0.14 C ATOM 257 CD PRO A 52 -16.585 -6.487 -1.064 1.00 0.13 C ATOM 0 HA PRO A 52 -14.502 -6.677 1.213 1.00 0.12 H new ATOM 0 HB2 PRO A 52 -16.062 -9.058 0.087 1.00 0.14 H new ATOM 0 HB3 PRO A 52 -16.227 -8.334 1.674 1.00 0.14 H new ATOM 0 HG2 PRO A 52 -18.033 -7.814 -0.198 1.00 0.14 H new ATOM 0 HG3 PRO A 52 -17.503 -6.534 0.876 1.00 0.14 H new ATOM 0 HD2 PRO A 52 -16.815 -6.983 -2.007 1.00 0.13 H new ATOM 0 HD3 PRO A 52 -16.979 -5.473 -1.133 1.00 0.13 H new ATOM 265 N MET A 53 -13.462 -8.942 -0.884 1.00 0.17 N ATOM 266 CA MET A 53 -12.371 -9.897 -1.031 1.00 0.21 C ATOM 267 C MET A 53 -11.011 -9.202 -1.107 1.00 0.17 C ATOM 268 O MET A 53 -10.032 -9.661 -0.521 1.00 0.19 O ATOM 269 CB MET A 53 -12.581 -10.804 -2.231 1.00 0.27 C ATOM 270 CG MET A 53 -11.522 -11.877 -2.364 1.00 0.35 C ATOM 271 SD MET A 53 -11.748 -12.914 -3.816 1.00 0.46 S ATOM 272 CE MET A 53 -10.313 -13.976 -3.666 1.00 1.58 C ATOM 0 H MET A 53 -14.058 -8.834 -1.704 1.00 0.17 H new ATOM 0 HA MET A 53 -12.374 -10.518 -0.135 1.00 0.21 H new ATOM 0 HB2 MET A 53 -13.560 -11.277 -2.153 1.00 0.27 H new ATOM 0 HB3 MET A 53 -12.591 -10.199 -3.138 1.00 0.27 H new ATOM 0 HG2 MET A 53 -10.540 -11.406 -2.410 1.00 0.35 H new ATOM 0 HG3 MET A 53 -11.534 -12.503 -1.472 1.00 0.35 H new ATOM 0 HE1 MET A 53 -10.298 -14.686 -4.493 1.00 1.58 H new ATOM 0 HE2 MET A 53 -9.407 -13.370 -3.691 1.00 1.58 H new ATOM 0 HE3 MET A 53 -10.360 -14.519 -2.722 1.00 1.58 H new ATOM 282 N GLU A 54 -10.960 -8.076 -1.766 1.00 0.14 N ATOM 283 CA GLU A 54 -9.725 -7.367 -1.938 1.00 0.12 C ATOM 284 C GLU A 54 -9.508 -6.317 -0.898 1.00 0.09 C ATOM 285 O GLU A 54 -8.409 -5.805 -0.773 1.00 0.08 O ATOM 286 CB GLU A 54 -9.644 -6.789 -3.319 1.00 0.12 C ATOM 287 CG GLU A 54 -9.528 -7.862 -4.356 1.00 0.16 C ATOM 288 CD GLU A 54 -9.273 -7.322 -5.723 1.00 0.19 C ATOM 289 OE1 GLU A 54 -10.227 -6.893 -6.369 1.00 0.26 O ATOM 290 OE2 GLU A 54 -8.095 -7.313 -6.175 1.00 0.19 O ATOM 0 H GLU A 54 -11.769 -7.628 -2.196 1.00 0.14 H new ATOM 0 HA GLU A 54 -8.920 -8.090 -1.810 1.00 0.12 H new ATOM 0 HB2 GLU A 54 -10.531 -6.186 -3.515 1.00 0.12 H new ATOM 0 HB3 GLU A 54 -8.784 -6.122 -3.386 1.00 0.12 H new ATOM 0 HG2 GLU A 54 -8.719 -8.540 -4.082 1.00 0.16 H new ATOM 0 HG3 GLU A 54 -10.446 -8.450 -4.368 1.00 0.16 H new ATOM 297 N ARG A 55 -10.557 -5.992 -0.161 1.00 0.09 N ATOM 298 CA ARG A 55 -10.478 -5.025 0.909 1.00 0.08 C ATOM 299 C ARG A 55 -9.575 -5.519 2.012 1.00 0.08 C ATOM 300 O ARG A 55 -9.942 -6.362 2.832 1.00 0.10 O ATOM 301 CB ARG A 55 -11.855 -4.642 1.436 1.00 0.10 C ATOM 302 CG ARG A 55 -11.825 -3.833 2.694 1.00 0.16 C ATOM 303 CD ARG A 55 -13.142 -3.885 3.420 1.00 0.29 C ATOM 304 NE ARG A 55 -13.131 -2.975 4.555 1.00 0.45 N ATOM 305 CZ ARG A 55 -12.671 -3.224 5.776 1.00 0.81 C ATOM 306 NH1 ARG A 55 -12.227 -4.432 6.116 1.00 1.29 N ATOM 307 NH2 ARG A 55 -12.674 -2.241 6.650 1.00 0.89 N ATOM 0 H ARG A 55 -11.485 -6.394 -0.292 1.00 0.09 H new ATOM 0 HA ARG A 55 -10.039 -4.116 0.499 1.00 0.08 H new ATOM 0 HB2 ARG A 55 -12.382 -4.078 0.667 1.00 0.10 H new ATOM 0 HB3 ARG A 55 -12.429 -5.551 1.615 1.00 0.10 H new ATOM 0 HG2 ARG A 55 -11.035 -4.204 3.347 1.00 0.16 H new ATOM 0 HG3 ARG A 55 -11.582 -2.798 2.455 1.00 0.16 H new ATOM 0 HD2 ARG A 55 -13.951 -3.618 2.739 1.00 0.29 H new ATOM 0 HD3 ARG A 55 -13.336 -4.901 3.762 1.00 0.29 H new ATOM 0 HE ARG A 55 -13.519 -2.045 4.396 1.00 0.45 H new ATOM 0 HH11 ARG A 55 -12.236 -5.189 5.433 1.00 1.29 H new ATOM 0 HH12 ARG A 55 -11.878 -4.600 7.060 1.00 1.29 H new ATOM 0 HH21 ARG A 55 -13.023 -1.321 6.381 1.00 0.89 H new ATOM 0 HH22 ARG A 55 -12.328 -2.399 7.596 1.00 0.89 H new ATOM 321 N LEU A 56 -8.402 -5.063 1.953 1.00 0.08 N ATOM 322 CA LEU A 56 -7.379 -5.338 2.890 1.00 0.09 C ATOM 323 C LEU A 56 -7.086 -4.060 3.640 1.00 0.10 C ATOM 324 O LEU A 56 -7.362 -2.969 3.146 1.00 0.11 O ATOM 325 CB LEU A 56 -6.145 -5.879 2.115 1.00 0.11 C ATOM 326 CG LEU A 56 -4.824 -6.089 2.872 1.00 0.10 C ATOM 327 CD1 LEU A 56 -3.989 -7.089 2.136 1.00 0.11 C ATOM 328 CD2 LEU A 56 -4.028 -4.799 2.925 1.00 0.14 C ATOM 0 H LEU A 56 -8.096 -4.444 1.203 1.00 0.08 H new ATOM 0 HA LEU A 56 -7.669 -6.096 3.618 1.00 0.09 H new ATOM 0 HB2 LEU A 56 -6.427 -6.835 1.673 1.00 0.11 H new ATOM 0 HB3 LEU A 56 -5.947 -5.193 1.291 1.00 0.11 H new ATOM 0 HG LEU A 56 -5.061 -6.428 3.881 1.00 0.10 H new ATOM 0 HD11 LEU A 56 -3.050 -7.242 2.669 1.00 0.11 H new ATOM 0 HD12 LEU A 56 -4.527 -8.035 2.070 1.00 0.11 H new ATOM 0 HD13 LEU A 56 -3.780 -6.720 1.132 1.00 0.11 H new ATOM 0 HD21 LEU A 56 -3.096 -4.968 3.465 1.00 0.14 H new ATOM 0 HD22 LEU A 56 -3.805 -4.467 1.911 1.00 0.14 H new ATOM 0 HD23 LEU A 56 -4.610 -4.033 3.437 1.00 0.14 H new ATOM 340 N VAL A 57 -6.593 -4.176 4.824 1.00 0.12 N ATOM 341 CA VAL A 57 -6.217 -3.019 5.555 1.00 0.14 C ATOM 342 C VAL A 57 -4.732 -3.064 5.916 1.00 0.16 C ATOM 343 O VAL A 57 -4.283 -3.902 6.723 1.00 0.21 O ATOM 344 CB VAL A 57 -7.141 -2.760 6.793 1.00 0.17 C ATOM 345 CG1 VAL A 57 -7.198 -3.940 7.751 1.00 0.17 C ATOM 346 CG2 VAL A 57 -6.741 -1.480 7.510 1.00 0.22 C ATOM 0 H VAL A 57 -6.441 -5.062 5.306 1.00 0.12 H new ATOM 0 HA VAL A 57 -6.365 -2.156 4.905 1.00 0.14 H new ATOM 0 HB VAL A 57 -8.153 -2.637 6.407 1.00 0.17 H new ATOM 0 HG11 VAL A 57 -7.854 -3.698 8.587 1.00 0.17 H new ATOM 0 HG12 VAL A 57 -7.584 -4.815 7.228 1.00 0.17 H new ATOM 0 HG13 VAL A 57 -6.197 -4.154 8.125 1.00 0.17 H new ATOM 0 HG21 VAL A 57 -7.397 -1.322 8.366 1.00 0.22 H new ATOM 0 HG22 VAL A 57 -5.710 -1.562 7.854 1.00 0.22 H new ATOM 0 HG23 VAL A 57 -6.829 -0.637 6.825 1.00 0.22 H new ATOM 356 N ALA A 58 -3.956 -2.229 5.258 1.00 0.15 N ATOM 357 CA ALA A 58 -2.550 -2.121 5.579 1.00 0.18 C ATOM 358 C ALA A 58 -2.348 -0.761 6.136 1.00 0.22 C ATOM 359 O ALA A 58 -2.854 0.197 5.568 1.00 0.23 O ATOM 360 CB ALA A 58 -1.646 -2.312 4.330 1.00 0.19 C ATOM 0 H ALA A 58 -4.272 -1.620 4.503 1.00 0.15 H new ATOM 0 HA ALA A 58 -2.274 -2.903 6.286 1.00 0.18 H new ATOM 0 HB1 ALA A 58 -0.599 -2.222 4.621 1.00 0.19 H new ATOM 0 HB2 ALA A 58 -1.820 -3.299 3.902 1.00 0.19 H new ATOM 0 HB3 ALA A 58 -1.883 -1.549 3.589 1.00 0.19 H new ATOM 366 N ASP A 59 -1.591 -0.665 7.213 1.00 0.29 N ATOM 367 CA ASP A 59 -1.284 0.612 7.887 1.00 0.37 C ATOM 368 C ASP A 59 -2.543 1.448 8.140 1.00 0.53 C ATOM 369 O ASP A 59 -2.538 2.684 7.985 1.00 1.24 O ATOM 370 CB ASP A 59 -0.265 1.437 7.109 1.00 0.33 C ATOM 371 CG ASP A 59 0.680 0.638 6.213 1.00 0.29 C ATOM 372 OD1 ASP A 59 1.177 -0.443 6.644 1.00 0.40 O ATOM 373 OD2 ASP A 59 0.923 1.078 5.080 1.00 0.36 O ATOM 0 H ASP A 59 -1.160 -1.474 7.661 1.00 0.29 H new ATOM 0 HA ASP A 59 -0.850 0.346 8.851 1.00 0.37 H new ATOM 0 HB2 ASP A 59 -0.802 2.157 6.491 1.00 0.33 H new ATOM 0 HB3 ASP A 59 0.332 2.009 7.819 1.00 0.33 H new ATOM 378 N LYS A 60 -3.610 0.750 8.499 1.00 0.32 N ATOM 379 CA LYS A 60 -4.940 1.272 8.756 1.00 0.28 C ATOM 380 C LYS A 60 -5.614 1.875 7.494 1.00 0.21 C ATOM 381 O LYS A 60 -6.739 2.381 7.547 1.00 0.23 O ATOM 382 CB LYS A 60 -4.950 2.218 9.942 1.00 0.32 C ATOM 383 CG LYS A 60 -6.329 2.537 10.466 1.00 0.35 C ATOM 384 CD LYS A 60 -6.245 3.405 11.682 1.00 0.59 C ATOM 385 CE LYS A 60 -7.624 3.821 12.162 1.00 1.67 C ATOM 386 NZ LYS A 60 -7.562 4.683 13.358 1.00 2.54 N ATOM 0 H LYS A 60 -3.565 -0.261 8.626 1.00 0.32 H new ATOM 0 HA LYS A 60 -5.562 0.419 9.028 1.00 0.28 H new ATOM 0 HB2 LYS A 60 -4.360 1.780 10.747 1.00 0.32 H new ATOM 0 HB3 LYS A 60 -4.458 3.148 9.655 1.00 0.32 H new ATOM 0 HG2 LYS A 60 -6.910 3.041 9.693 1.00 0.35 H new ATOM 0 HG3 LYS A 60 -6.854 1.613 10.708 1.00 0.35 H new ATOM 0 HD2 LYS A 60 -5.727 2.870 12.478 1.00 0.59 H new ATOM 0 HD3 LYS A 60 -5.653 4.292 11.457 1.00 0.59 H new ATOM 0 HE2 LYS A 60 -8.141 4.350 11.361 1.00 1.67 H new ATOM 0 HE3 LYS A 60 -8.212 2.931 12.388 1.00 1.67 H new ATOM 0 HZ1 LYS A 60 -8.526 4.942 13.650 1.00 2.54 H new ATOM 0 HZ2 LYS A 60 -7.092 4.170 14.131 1.00 2.54 H new ATOM 0 HZ3 LYS A 60 -7.024 5.545 13.137 1.00 2.54 H new ATOM 400 N LEU A 61 -4.957 1.797 6.373 1.00 0.17 N ATOM 401 CA LEU A 61 -5.538 2.241 5.131 1.00 0.13 C ATOM 402 C LEU A 61 -6.285 1.092 4.505 1.00 0.10 C ATOM 403 O LEU A 61 -5.795 -0.043 4.491 1.00 0.10 O ATOM 404 CB LEU A 61 -4.470 2.729 4.192 1.00 0.16 C ATOM 405 CG LEU A 61 -3.594 3.866 4.700 1.00 0.19 C ATOM 406 CD1 LEU A 61 -2.498 4.148 3.705 1.00 0.19 C ATOM 407 CD2 LEU A 61 -4.421 5.122 4.945 1.00 0.23 C ATOM 0 H LEU A 61 -4.010 1.427 6.290 1.00 0.17 H new ATOM 0 HA LEU A 61 -6.222 3.067 5.328 1.00 0.13 H new ATOM 0 HB2 LEU A 61 -3.826 1.887 3.939 1.00 0.16 H new ATOM 0 HB3 LEU A 61 -4.949 3.052 3.268 1.00 0.16 H new ATOM 0 HG LEU A 61 -3.149 3.565 5.648 1.00 0.19 H new ATOM 0 HD11 LEU A 61 -1.874 4.962 4.073 1.00 0.19 H new ATOM 0 HD12 LEU A 61 -1.888 3.254 3.573 1.00 0.19 H new ATOM 0 HD13 LEU A 61 -2.938 4.432 2.749 1.00 0.19 H new ATOM 0 HD21 LEU A 61 -3.773 5.920 5.307 1.00 0.23 H new ATOM 0 HD22 LEU A 61 -4.894 5.434 4.014 1.00 0.23 H new ATOM 0 HD23 LEU A 61 -5.189 4.912 5.689 1.00 0.23 H new ATOM 419 N ILE A 62 -7.444 1.361 3.989 1.00 0.09 N ATOM 420 CA ILE A 62 -8.252 0.319 3.434 1.00 0.07 C ATOM 421 C ILE A 62 -8.040 0.298 1.930 1.00 0.06 C ATOM 422 O ILE A 62 -8.323 1.288 1.245 1.00 0.06 O ATOM 423 CB ILE A 62 -9.764 0.547 3.716 1.00 0.08 C ATOM 424 CG1 ILE A 62 -10.038 0.874 5.192 1.00 0.20 C ATOM 425 CG2 ILE A 62 -10.514 -0.696 3.356 1.00 0.11 C ATOM 426 CD1 ILE A 62 -9.763 -0.260 6.159 1.00 0.46 C ATOM 0 H ILE A 62 -7.853 2.294 3.940 1.00 0.09 H new ATOM 0 HA ILE A 62 -7.958 -0.624 3.895 1.00 0.07 H new ATOM 0 HB ILE A 62 -10.089 1.398 3.117 1.00 0.08 H new ATOM 0 HG12 ILE A 62 -9.429 1.732 5.478 1.00 0.20 H new ATOM 0 HG13 ILE A 62 -11.081 1.175 5.295 1.00 0.20 H new ATOM 0 HG21 ILE A 62 -11.577 -0.549 3.549 1.00 0.11 H new ATOM 0 HG22 ILE A 62 -10.365 -0.918 2.299 1.00 0.11 H new ATOM 0 HG23 ILE A 62 -10.148 -1.529 3.957 1.00 0.11 H new ATOM 0 HD11 ILE A 62 -9.986 0.066 7.175 1.00 0.46 H new ATOM 0 HD12 ILE A 62 -10.391 -1.114 5.906 1.00 0.46 H new ATOM 0 HD13 ILE A 62 -8.714 -0.549 6.092 1.00 0.46 H new ATOM 438 N PHE A 63 -7.503 -0.787 1.428 1.00 0.05 N ATOM 439 CA PHE A 63 -7.255 -0.938 0.022 1.00 0.05 C ATOM 440 C PHE A 63 -7.121 -2.346 -0.470 1.00 0.04 C ATOM 441 O PHE A 63 -7.044 -3.278 0.299 1.00 0.05 O ATOM 442 CB PHE A 63 -6.157 -0.030 -0.509 1.00 0.07 C ATOM 443 CG PHE A 63 -4.867 -0.025 0.242 1.00 0.09 C ATOM 444 CD1 PHE A 63 -4.261 -1.173 0.736 1.00 0.11 C ATOM 445 CD2 PHE A 63 -4.265 1.173 0.455 1.00 0.10 C ATOM 446 CE1 PHE A 63 -3.070 -1.076 1.426 1.00 0.14 C ATOM 447 CE2 PHE A 63 -3.101 1.265 1.123 1.00 0.12 C ATOM 448 CZ PHE A 63 -2.487 0.158 1.617 1.00 0.13 C ATOM 0 H PHE A 63 -7.226 -1.592 1.989 1.00 0.05 H new ATOM 0 HA PHE A 63 -8.189 -0.590 -0.419 1.00 0.05 H new ATOM 0 HB2 PHE A 63 -5.949 -0.316 -1.540 1.00 0.07 H new ATOM 0 HB3 PHE A 63 -6.541 0.990 -0.532 1.00 0.07 H new ATOM 0 HD1 PHE A 63 -4.720 -2.138 0.581 1.00 0.11 H new ATOM 0 HD2 PHE A 63 -4.731 2.072 0.080 1.00 0.10 H new ATOM 0 HE1 PHE A 63 -2.596 -1.965 1.815 1.00 0.14 H new ATOM 0 HE2 PHE A 63 -2.647 2.234 1.269 1.00 0.12 H new ATOM 0 HZ PHE A 63 -1.553 0.244 2.153 1.00 0.13 H new ATOM 458 N HIS A 64 -7.162 -2.466 -1.774 1.00 0.04 N ATOM 459 CA HIS A 64 -7.008 -3.716 -2.480 1.00 0.04 C ATOM 460 C HIS A 64 -5.635 -4.271 -2.188 1.00 0.06 C ATOM 461 O HIS A 64 -4.624 -3.562 -2.268 1.00 0.08 O ATOM 462 CB HIS A 64 -7.104 -3.471 -4.002 1.00 0.05 C ATOM 463 CG HIS A 64 -8.286 -2.683 -4.455 1.00 0.05 C ATOM 464 ND1 HIS A 64 -8.302 -1.294 -4.408 1.00 0.06 N ATOM 465 CD2 HIS A 64 -9.471 -3.118 -4.930 1.00 0.06 C ATOM 466 CE1 HIS A 64 -9.489 -0.939 -4.854 1.00 0.06 C ATOM 467 NE2 HIS A 64 -10.234 -2.002 -5.181 1.00 0.07 N ATOM 0 H HIS A 64 -7.308 -1.670 -2.395 1.00 0.04 H new ATOM 0 HA HIS A 64 -7.788 -4.407 -2.161 1.00 0.04 H new ATOM 0 HB2 HIS A 64 -6.200 -2.955 -4.326 1.00 0.05 H new ATOM 0 HB3 HIS A 64 -7.119 -4.437 -4.507 1.00 0.05 H new ATOM 0 HD2 HIS A 64 -9.764 -4.146 -5.084 1.00 0.06 H new ATOM 0 HE1 HIS A 64 -9.821 0.085 -4.945 1.00 0.06 H new ATOM 0 HE2 HIS A 64 -11.186 -1.987 -5.547 1.00 0.07 H new ATOM 475 N ASN A 65 -5.617 -5.526 -1.828 1.00 0.06 N ATOM 476 CA ASN A 65 -4.387 -6.266 -1.590 1.00 0.07 C ATOM 477 C ASN A 65 -3.477 -6.255 -2.814 1.00 0.08 C ATOM 478 O ASN A 65 -2.271 -6.279 -2.697 1.00 0.10 O ATOM 479 CB ASN A 65 -4.683 -7.726 -1.132 1.00 0.09 C ATOM 480 CG ASN A 65 -5.658 -8.524 -2.017 1.00 0.15 C ATOM 481 OD1 ASN A 65 -5.785 -8.307 -3.218 1.00 1.06 O ATOM 482 ND2 ASN A 65 -6.356 -9.452 -1.417 1.00 1.07 N ATOM 0 H ASN A 65 -6.462 -6.079 -1.687 1.00 0.06 H new ATOM 0 HA ASN A 65 -3.859 -5.760 -0.782 1.00 0.07 H new ATOM 0 HB2 ASN A 65 -3.739 -8.269 -1.083 1.00 0.09 H new ATOM 0 HB3 ASN A 65 -5.085 -7.694 -0.119 1.00 0.09 H new ATOM 0 HD21 ASN A 65 -7.022 -10.013 -1.948 1.00 1.07 H new ATOM 0 HD22 ASN A 65 -6.234 -9.616 -0.418 1.00 1.07 H new ATOM 489 N SER A 66 -4.082 -6.242 -3.950 1.00 0.09 N ATOM 490 CA SER A 66 -3.444 -6.270 -5.224 1.00 0.12 C ATOM 491 C SER A 66 -2.805 -4.934 -5.697 1.00 0.11 C ATOM 492 O SER A 66 -1.988 -4.943 -6.627 1.00 0.15 O ATOM 493 CB SER A 66 -4.500 -6.718 -6.206 1.00 0.16 C ATOM 494 OG SER A 66 -5.716 -5.976 -5.998 1.00 0.17 O ATOM 0 H SER A 66 -5.099 -6.210 -4.021 1.00 0.09 H new ATOM 0 HA SER A 66 -2.591 -6.945 -5.154 1.00 0.12 H new ATOM 0 HB2 SER A 66 -4.145 -6.571 -7.226 1.00 0.16 H new ATOM 0 HB3 SER A 66 -4.691 -7.784 -6.086 1.00 0.16 H new ATOM 0 HG SER A 66 -6.473 -6.596 -5.949 1.00 0.17 H new ATOM 500 N CYS A 67 -3.133 -3.805 -5.081 1.00 0.08 N ATOM 501 CA CYS A 67 -2.791 -2.544 -5.739 1.00 0.09 C ATOM 502 C CYS A 67 -1.609 -1.759 -5.213 1.00 0.10 C ATOM 503 O CYS A 67 -1.002 -1.014 -5.990 1.00 0.20 O ATOM 504 CB CYS A 67 -3.985 -1.642 -5.846 1.00 0.09 C ATOM 505 SG CYS A 67 -4.770 -1.281 -4.306 1.00 0.07 S ATOM 0 H CYS A 67 -3.607 -3.730 -4.181 1.00 0.08 H new ATOM 0 HA CYS A 67 -2.456 -2.891 -6.716 1.00 0.09 H new ATOM 0 HB2 CYS A 67 -3.677 -0.705 -6.311 1.00 0.09 H new ATOM 0 HB3 CYS A 67 -4.714 -2.103 -6.512 1.00 0.09 H new ATOM 510 N PHE A 68 -1.271 -1.870 -3.938 1.00 0.09 N ATOM 511 CA PHE A 68 -0.255 -0.983 -3.413 1.00 0.09 C ATOM 512 C PHE A 68 1.134 -1.345 -3.855 1.00 0.07 C ATOM 513 O PHE A 68 1.793 -2.219 -3.299 1.00 0.07 O ATOM 514 CB PHE A 68 -0.357 -0.697 -1.903 1.00 0.10 C ATOM 515 CG PHE A 68 -0.432 -1.849 -0.945 1.00 0.09 C ATOM 516 CD1 PHE A 68 -1.525 -2.698 -0.907 1.00 0.10 C ATOM 517 CD2 PHE A 68 0.583 -2.033 -0.033 1.00 0.10 C ATOM 518 CE1 PHE A 68 -1.590 -3.718 0.030 1.00 0.11 C ATOM 519 CE2 PHE A 68 0.522 -3.036 0.902 1.00 0.12 C ATOM 520 CZ PHE A 68 -0.561 -3.876 0.936 1.00 0.10 C ATOM 0 H PHE A 68 -1.667 -2.536 -3.275 1.00 0.09 H new ATOM 0 HA PHE A 68 -0.480 -0.023 -3.878 1.00 0.09 H new ATOM 0 HB2 PHE A 68 0.507 -0.094 -1.624 1.00 0.10 H new ATOM 0 HB3 PHE A 68 -1.241 -0.080 -1.745 1.00 0.10 H new ATOM 0 HD1 PHE A 68 -2.332 -2.565 -1.612 1.00 0.10 H new ATOM 0 HD2 PHE A 68 1.441 -1.377 -0.054 1.00 0.10 H new ATOM 0 HE1 PHE A 68 -2.440 -4.384 0.051 1.00 0.11 H new ATOM 0 HE2 PHE A 68 1.327 -3.163 1.611 1.00 0.12 H new ATOM 0 HZ PHE A 68 -0.609 -4.663 1.674 1.00 0.10 H new ATOM 530 N CYS A 69 1.534 -0.677 -4.879 1.00 0.07 N ATOM 531 CA CYS A 69 2.791 -0.852 -5.508 1.00 0.07 C ATOM 532 C CYS A 69 3.671 0.320 -5.153 1.00 0.06 C ATOM 533 O CYS A 69 3.208 1.306 -4.573 1.00 0.06 O ATOM 534 CB CYS A 69 2.589 -0.905 -7.025 1.00 0.09 C ATOM 535 SG CYS A 69 1.419 -2.172 -7.565 1.00 0.12 S ATOM 0 H CYS A 69 0.962 0.043 -5.321 1.00 0.07 H new ATOM 0 HA CYS A 69 3.257 -1.779 -5.175 1.00 0.07 H new ATOM 0 HB2 CYS A 69 2.240 0.068 -7.369 1.00 0.09 H new ATOM 0 HB3 CYS A 69 3.551 -1.086 -7.504 1.00 0.09 H new ATOM 0 HG CYS A 69 0.249 -1.929 -7.053 1.00 0.12 H new ATOM 541 N CYS A 70 4.926 0.202 -5.473 1.00 0.05 N ATOM 542 CA CYS A 70 5.869 1.238 -5.218 1.00 0.05 C ATOM 543 C CYS A 70 5.617 2.423 -6.117 1.00 0.06 C ATOM 544 O CYS A 70 5.326 2.312 -7.305 1.00 0.08 O ATOM 545 CB CYS A 70 7.281 0.700 -5.377 1.00 0.05 C ATOM 546 SG CYS A 70 8.649 1.888 -5.324 1.00 0.06 S ATOM 0 H CYS A 70 5.322 -0.624 -5.921 1.00 0.05 H new ATOM 0 HA CYS A 70 5.752 1.584 -4.191 1.00 0.05 H new ATOM 0 HB2 CYS A 70 7.448 -0.039 -4.593 1.00 0.05 H new ATOM 0 HB3 CYS A 70 7.333 0.172 -6.329 1.00 0.05 H new ATOM 551 N LYS A 71 5.688 3.535 -5.490 1.00 0.09 N ATOM 552 CA LYS A 71 5.521 4.831 -6.073 1.00 0.11 C ATOM 553 C LYS A 71 6.535 5.075 -7.178 1.00 0.12 C ATOM 554 O LYS A 71 6.221 5.706 -8.185 1.00 0.16 O ATOM 555 CB LYS A 71 5.703 5.860 -4.983 1.00 0.14 C ATOM 556 CG LYS A 71 5.410 7.244 -5.440 1.00 0.17 C ATOM 557 CD LYS A 71 3.939 7.424 -5.708 1.00 0.30 C ATOM 558 CE LYS A 71 3.755 8.339 -6.862 1.00 0.55 C ATOM 559 NZ LYS A 71 4.470 9.632 -6.668 1.00 1.33 N ATOM 0 H LYS A 71 5.877 3.578 -4.489 1.00 0.09 H new ATOM 0 HA LYS A 71 4.527 4.901 -6.515 1.00 0.11 H new ATOM 0 HB2 LYS A 71 5.051 5.614 -4.145 1.00 0.14 H new ATOM 0 HB3 LYS A 71 6.728 5.814 -4.614 1.00 0.14 H new ATOM 0 HG2 LYS A 71 5.735 7.957 -4.683 1.00 0.17 H new ATOM 0 HG3 LYS A 71 5.977 7.460 -6.345 1.00 0.17 H new ATOM 0 HD2 LYS A 71 3.476 6.460 -5.917 1.00 0.30 H new ATOM 0 HD3 LYS A 71 3.445 7.830 -4.826 1.00 0.30 H new ATOM 0 HE2 LYS A 71 4.118 7.856 -7.769 1.00 0.55 H new ATOM 0 HE3 LYS A 71 2.692 8.531 -7.007 1.00 0.55 H new ATOM 0 HZ1 LYS A 71 3.845 10.418 -6.939 1.00 1.33 H new ATOM 0 HZ2 LYS A 71 4.740 9.733 -5.669 1.00 1.33 H new ATOM 0 HZ3 LYS A 71 5.324 9.649 -7.261 1.00 1.33 H new ATOM 573 N HIS A 72 7.731 4.551 -7.013 1.00 0.11 N ATOM 574 CA HIS A 72 8.770 4.788 -7.987 1.00 0.12 C ATOM 575 C HIS A 72 8.818 3.656 -9.027 1.00 0.11 C ATOM 576 O HIS A 72 9.106 3.900 -10.196 1.00 0.13 O ATOM 577 CB HIS A 72 10.117 4.989 -7.299 1.00 0.13 C ATOM 578 CG HIS A 72 11.172 5.626 -8.167 1.00 0.18 C ATOM 579 ND1 HIS A 72 11.446 6.966 -8.065 1.00 0.24 N ATOM 580 CD2 HIS A 72 12.010 5.071 -9.075 1.00 0.20 C ATOM 581 CE1 HIS A 72 12.447 7.194 -8.898 1.00 0.27 C ATOM 582 NE2 HIS A 72 12.816 6.079 -9.532 1.00 0.26 N ATOM 0 H HIS A 72 8.004 3.966 -6.224 1.00 0.11 H new ATOM 0 HA HIS A 72 8.538 5.707 -8.525 1.00 0.12 H new ATOM 0 HB2 HIS A 72 9.970 5.608 -6.414 1.00 0.13 H new ATOM 0 HB3 HIS A 72 10.483 4.022 -6.954 1.00 0.13 H new ATOM 0 HD2 HIS A 72 12.037 4.035 -9.379 1.00 0.20 H new ATOM 0 HE1 HIS A 72 12.907 8.160 -9.047 1.00 0.27 H new ATOM 0 HE2 HIS A 72 13.559 5.994 -10.226 1.00 0.26 H new ATOM 590 N CYS A 73 8.511 2.430 -8.615 1.00 0.09 N ATOM 591 CA CYS A 73 8.468 1.341 -9.546 1.00 0.09 C ATOM 592 C CYS A 73 7.176 0.575 -9.316 1.00 0.08 C ATOM 593 O CYS A 73 6.860 0.246 -8.188 1.00 0.07 O ATOM 594 CB CYS A 73 9.696 0.438 -9.366 1.00 0.10 C ATOM 595 SG CYS A 73 9.803 -0.545 -7.834 1.00 0.08 S ATOM 0 H CYS A 73 8.293 2.181 -7.650 1.00 0.09 H new ATOM 0 HA CYS A 73 8.491 1.712 -10.571 1.00 0.09 H new ATOM 0 HB2 CYS A 73 9.734 -0.250 -10.210 1.00 0.10 H new ATOM 0 HB3 CYS A 73 10.586 1.065 -9.426 1.00 0.10 H new ATOM 600 N HIS A 74 6.451 0.262 -10.342 1.00 0.10 N ATOM 601 CA HIS A 74 5.148 -0.394 -10.175 1.00 0.10 C ATOM 602 C HIS A 74 5.269 -1.892 -9.920 1.00 0.10 C ATOM 603 O HIS A 74 4.817 -2.722 -10.700 1.00 0.13 O ATOM 604 CB HIS A 74 4.166 -0.063 -11.319 1.00 0.13 C ATOM 605 CG HIS A 74 4.658 -0.352 -12.713 1.00 1.21 C ATOM 606 ND1 HIS A 74 5.170 0.614 -13.538 1.00 1.81 N ATOM 607 CD2 HIS A 74 4.679 -1.494 -13.430 1.00 2.26 C ATOM 608 CE1 HIS A 74 5.479 0.082 -14.694 1.00 2.72 C ATOM 609 NE2 HIS A 74 5.193 -1.198 -14.656 1.00 3.02 N ATOM 0 H HIS A 74 6.718 0.440 -11.310 1.00 0.10 H new ATOM 0 HA HIS A 74 4.713 0.029 -9.270 1.00 0.10 H new ATOM 0 HB2 HIS A 74 3.246 -0.624 -11.156 1.00 0.13 H new ATOM 0 HB3 HIS A 74 3.910 0.995 -11.257 1.00 0.13 H new ATOM 0 HD2 HIS A 74 4.349 -2.466 -13.094 1.00 2.26 H new ATOM 0 HE1 HIS A 74 5.899 0.609 -15.538 1.00 2.72 H new ATOM 0 HE2 HIS A 74 5.332 -1.861 -15.418 1.00 3.02 H new ATOM 618 N THR A 75 5.872 -2.214 -8.821 1.00 0.10 N ATOM 619 CA THR A 75 6.069 -3.573 -8.451 1.00 0.10 C ATOM 620 C THR A 75 5.071 -3.944 -7.334 1.00 0.10 C ATOM 621 O THR A 75 4.840 -3.139 -6.404 1.00 0.10 O ATOM 622 CB THR A 75 7.559 -3.822 -8.038 1.00 0.10 C ATOM 623 OG1 THR A 75 7.859 -5.216 -8.076 1.00 0.11 O ATOM 624 CG2 THR A 75 7.881 -3.278 -6.646 1.00 0.10 C ATOM 0 H THR A 75 6.242 -1.537 -8.154 1.00 0.10 H new ATOM 0 HA THR A 75 5.874 -4.224 -9.303 1.00 0.10 H new ATOM 0 HB THR A 75 8.175 -3.285 -8.759 1.00 0.10 H new ATOM 0 HG1 THR A 75 8.794 -5.357 -7.817 1.00 0.11 H new ATOM 0 HG21 THR A 75 8.926 -3.477 -6.410 1.00 0.10 H new ATOM 0 HG22 THR A 75 7.703 -2.203 -6.625 1.00 0.10 H new ATOM 0 HG23 THR A 75 7.243 -3.765 -5.908 1.00 0.10 H new ATOM 632 N LYS A 76 4.405 -5.096 -7.482 1.00 0.11 N ATOM 633 CA LYS A 76 3.419 -5.575 -6.502 1.00 0.11 C ATOM 634 C LYS A 76 4.143 -6.019 -5.220 1.00 0.11 C ATOM 635 O LYS A 76 4.402 -7.198 -4.999 1.00 0.16 O ATOM 636 CB LYS A 76 2.573 -6.733 -7.104 1.00 0.13 C ATOM 637 CG LYS A 76 1.190 -6.995 -6.438 1.00 0.86 C ATOM 638 CD LYS A 76 1.225 -7.583 -5.008 1.00 1.59 C ATOM 639 CE LYS A 76 1.536 -9.095 -4.938 1.00 2.07 C ATOM 640 NZ LYS A 76 2.906 -9.455 -5.364 1.00 2.61 N ATOM 0 H LYS A 76 4.532 -5.720 -8.279 1.00 0.11 H new ATOM 0 HA LYS A 76 2.735 -4.765 -6.250 1.00 0.11 H new ATOM 0 HB2 LYS A 76 2.410 -6.524 -8.161 1.00 0.13 H new ATOM 0 HB3 LYS A 76 3.159 -7.650 -7.048 1.00 0.13 H new ATOM 0 HG2 LYS A 76 0.639 -6.055 -6.409 1.00 0.86 H new ATOM 0 HG3 LYS A 76 0.626 -7.676 -7.075 1.00 0.86 H new ATOM 0 HD2 LYS A 76 1.974 -7.045 -4.427 1.00 1.59 H new ATOM 0 HD3 LYS A 76 0.261 -7.402 -4.532 1.00 1.59 H new ATOM 0 HE2 LYS A 76 1.384 -9.438 -3.915 1.00 2.07 H new ATOM 0 HE3 LYS A 76 0.821 -9.630 -5.563 1.00 2.07 H new ATOM 0 HZ1 LYS A 76 3.217 -10.304 -4.850 1.00 2.61 H new ATOM 0 HZ2 LYS A 76 2.913 -9.647 -6.386 1.00 2.61 H new ATOM 0 HZ3 LYS A 76 3.553 -8.668 -5.155 1.00 2.61 H new ATOM 654 N LEU A 77 4.476 -5.053 -4.424 1.00 0.07 N ATOM 655 CA LEU A 77 5.158 -5.231 -3.154 1.00 0.06 C ATOM 656 C LEU A 77 4.200 -5.459 -2.015 1.00 0.06 C ATOM 657 O LEU A 77 4.612 -5.751 -0.885 1.00 0.07 O ATOM 658 CB LEU A 77 6.067 -4.020 -2.912 1.00 0.05 C ATOM 659 CG LEU A 77 5.391 -2.605 -2.907 1.00 0.04 C ATOM 660 CD1 LEU A 77 4.492 -2.333 -1.717 1.00 0.05 C ATOM 661 CD2 LEU A 77 6.435 -1.574 -2.963 1.00 0.04 C ATOM 0 H LEU A 77 4.278 -4.075 -4.637 1.00 0.07 H new ATOM 0 HA LEU A 77 5.767 -6.134 -3.201 1.00 0.06 H new ATOM 0 HB2 LEU A 77 6.566 -4.159 -1.953 1.00 0.05 H new ATOM 0 HB3 LEU A 77 6.842 -4.021 -3.678 1.00 0.05 H new ATOM 0 HG LEU A 77 4.744 -2.581 -3.784 1.00 0.04 H new ATOM 0 HD11 LEU A 77 4.070 -1.331 -1.801 1.00 0.05 H new ATOM 0 HD12 LEU A 77 3.685 -3.066 -1.695 1.00 0.05 H new ATOM 0 HD13 LEU A 77 5.073 -2.406 -0.798 1.00 0.05 H new ATOM 0 HD21 LEU A 77 5.972 -0.587 -2.960 1.00 0.04 H new ATOM 0 HD22 LEU A 77 7.089 -1.671 -2.096 1.00 0.04 H new ATOM 0 HD23 LEU A 77 7.020 -1.698 -3.874 1.00 0.04 H new ATOM 673 N SER A 78 2.946 -5.310 -2.325 1.00 0.06 N ATOM 674 CA SER A 78 1.869 -5.401 -1.406 1.00 0.07 C ATOM 675 C SER A 78 1.925 -6.677 -0.561 1.00 0.07 C ATOM 676 O SER A 78 2.231 -7.765 -1.077 1.00 0.08 O ATOM 677 CB SER A 78 0.632 -5.432 -2.232 1.00 0.07 C ATOM 678 OG SER A 78 0.790 -4.625 -3.397 1.00 0.08 O ATOM 0 H SER A 78 2.640 -5.112 -3.277 1.00 0.06 H new ATOM 0 HA SER A 78 1.907 -4.560 -0.713 1.00 0.07 H new ATOM 0 HB2 SER A 78 0.406 -6.458 -2.521 1.00 0.07 H new ATOM 0 HB3 SER A 78 -0.213 -5.073 -1.645 1.00 0.07 H new ATOM 0 HG SER A 78 1.181 -3.762 -3.147 1.00 0.08 H new ATOM 684 N LEU A 79 1.626 -6.500 0.724 1.00 0.08 N ATOM 685 CA LEU A 79 1.515 -7.553 1.729 1.00 0.09 C ATOM 686 C LEU A 79 2.561 -8.667 1.617 1.00 0.13 C ATOM 687 O LEU A 79 2.316 -9.728 1.011 1.00 0.18 O ATOM 688 CB LEU A 79 0.093 -8.095 1.781 1.00 0.10 C ATOM 689 CG LEU A 79 -0.604 -7.947 3.141 1.00 0.11 C ATOM 690 CD1 LEU A 79 0.132 -8.711 4.229 1.00 0.11 C ATOM 691 CD2 LEU A 79 -0.721 -6.482 3.525 1.00 0.14 C ATOM 0 H LEU A 79 1.446 -5.573 1.111 1.00 0.08 H new ATOM 0 HA LEU A 79 1.745 -7.079 2.683 1.00 0.09 H new ATOM 0 HB2 LEU A 79 -0.503 -7.584 1.025 1.00 0.10 H new ATOM 0 HB3 LEU A 79 0.112 -9.151 1.511 1.00 0.10 H new ATOM 0 HG LEU A 79 -1.604 -8.371 3.045 1.00 0.11 H new ATOM 0 HD11 LEU A 79 -0.389 -8.584 5.178 1.00 0.11 H new ATOM 0 HD12 LEU A 79 0.165 -9.770 3.972 1.00 0.11 H new ATOM 0 HD13 LEU A 79 1.148 -8.328 4.319 1.00 0.11 H new ATOM 0 HD21 LEU A 79 -1.218 -6.398 4.492 1.00 0.14 H new ATOM 0 HD22 LEU A 79 0.274 -6.042 3.589 1.00 0.14 H new ATOM 0 HD23 LEU A 79 -1.304 -5.954 2.771 1.00 0.14 H new ATOM 703 N GLY A 80 3.685 -8.438 2.224 1.00 0.19 N ATOM 704 CA GLY A 80 4.771 -9.368 2.191 1.00 0.24 C ATOM 705 C GLY A 80 6.035 -8.682 2.594 1.00 0.24 C ATOM 706 O GLY A 80 6.659 -9.022 3.607 1.00 0.29 O ATOM 0 H GLY A 80 3.876 -7.592 2.761 1.00 0.19 H new ATOM 0 HA2 GLY A 80 4.569 -10.202 2.863 1.00 0.24 H new ATOM 0 HA3 GLY A 80 4.875 -9.784 1.189 1.00 0.24 H new ATOM 710 N SER A 81 6.412 -7.717 1.812 1.00 0.20 N ATOM 711 CA SER A 81 7.543 -6.905 2.093 1.00 0.19 C ATOM 712 C SER A 81 7.345 -5.530 1.467 1.00 0.13 C ATOM 713 O SER A 81 7.452 -5.369 0.249 1.00 0.13 O ATOM 714 CB SER A 81 8.811 -7.607 1.574 1.00 0.24 C ATOM 715 OG SER A 81 8.672 -8.037 0.211 1.00 0.26 O ATOM 0 H SER A 81 5.930 -7.472 0.947 1.00 0.20 H new ATOM 0 HA SER A 81 7.659 -6.763 3.167 1.00 0.19 H new ATOM 0 HB2 SER A 81 9.659 -6.927 1.654 1.00 0.24 H new ATOM 0 HB3 SER A 81 9.032 -8.468 2.205 1.00 0.24 H new ATOM 0 HG SER A 81 8.206 -7.346 -0.304 1.00 0.26 H new ATOM 721 N TYR A 82 7.068 -4.537 2.279 1.00 0.10 N ATOM 722 CA TYR A 82 6.832 -3.230 1.767 1.00 0.06 C ATOM 723 C TYR A 82 7.405 -2.180 2.694 1.00 0.09 C ATOM 724 O TYR A 82 7.870 -2.500 3.802 1.00 0.11 O ATOM 725 CB TYR A 82 5.317 -3.001 1.491 1.00 0.06 C ATOM 726 CG TYR A 82 4.364 -3.023 2.686 1.00 0.08 C ATOM 727 CD1 TYR A 82 4.390 -2.006 3.619 1.00 0.17 C ATOM 728 CD2 TYR A 82 3.399 -4.024 2.840 1.00 0.12 C ATOM 729 CE1 TYR A 82 3.507 -1.965 4.668 1.00 0.18 C ATOM 730 CE2 TYR A 82 2.513 -3.995 3.902 1.00 0.13 C ATOM 731 CZ TYR A 82 2.576 -2.959 4.812 1.00 0.15 C ATOM 732 OH TYR A 82 1.686 -2.900 5.851 1.00 0.15 O ATOM 0 H TYR A 82 7.003 -4.620 3.294 1.00 0.10 H new ATOM 0 HA TYR A 82 7.347 -3.137 0.811 1.00 0.06 H new ATOM 0 HB2 TYR A 82 5.209 -2.037 0.994 1.00 0.06 H new ATOM 0 HB3 TYR A 82 4.986 -3.762 0.785 1.00 0.06 H new ATOM 0 HD1 TYR A 82 5.125 -1.221 3.520 1.00 0.17 H new ATOM 0 HD2 TYR A 82 3.345 -4.829 2.122 1.00 0.12 H new ATOM 0 HE1 TYR A 82 3.546 -1.152 5.378 1.00 0.18 H new ATOM 0 HE2 TYR A 82 1.777 -4.777 4.018 1.00 0.13 H new ATOM 0 HH TYR A 82 1.837 -2.079 6.365 1.00 0.15 H new ATOM 742 N ALA A 83 7.481 -0.982 2.212 1.00 0.11 N ATOM 743 CA ALA A 83 7.851 0.144 3.013 1.00 0.15 C ATOM 744 C ALA A 83 6.833 1.212 2.760 1.00 0.11 C ATOM 745 O ALA A 83 6.669 1.655 1.644 1.00 0.13 O ATOM 746 CB ALA A 83 9.231 0.639 2.635 1.00 0.21 C ATOM 0 H ALA A 83 7.285 -0.753 1.238 1.00 0.11 H new ATOM 0 HA ALA A 83 7.880 -0.129 4.068 1.00 0.15 H new ATOM 0 HB1 ALA A 83 9.493 1.496 3.256 1.00 0.21 H new ATOM 0 HB2 ALA A 83 9.958 -0.158 2.790 1.00 0.21 H new ATOM 0 HB3 ALA A 83 9.236 0.936 1.586 1.00 0.21 H new ATOM 752 N ALA A 84 6.141 1.618 3.745 1.00 0.13 N ATOM 753 CA ALA A 84 5.141 2.597 3.518 1.00 0.15 C ATOM 754 C ALA A 84 5.510 3.885 4.180 1.00 0.18 C ATOM 755 O ALA A 84 6.044 3.888 5.307 1.00 0.22 O ATOM 756 CB ALA A 84 3.797 2.108 3.995 1.00 0.20 C ATOM 0 H ALA A 84 6.239 1.298 4.709 1.00 0.13 H new ATOM 0 HA ALA A 84 5.070 2.776 2.445 1.00 0.15 H new ATOM 0 HB1 ALA A 84 3.045 2.875 3.811 1.00 0.20 H new ATOM 0 HB2 ALA A 84 3.528 1.199 3.456 1.00 0.20 H new ATOM 0 HB3 ALA A 84 3.845 1.896 5.063 1.00 0.20 H new ATOM 762 N LEU A 85 5.290 4.957 3.490 1.00 0.21 N ATOM 763 CA LEU A 85 5.468 6.249 4.030 1.00 0.26 C ATOM 764 C LEU A 85 4.144 6.924 3.858 1.00 0.24 C ATOM 765 O LEU A 85 3.353 6.493 3.015 1.00 0.22 O ATOM 766 CB LEU A 85 6.579 7.044 3.304 1.00 0.33 C ATOM 767 CG LEU A 85 6.932 8.385 3.948 1.00 0.43 C ATOM 768 CD1 LEU A 85 7.665 8.186 5.235 1.00 0.53 C ATOM 769 CD2 LEU A 85 7.728 9.280 3.048 1.00 0.65 C ATOM 0 H LEU A 85 4.976 4.950 2.519 1.00 0.21 H new ATOM 0 HA LEU A 85 5.784 6.195 5.072 1.00 0.26 H new ATOM 0 HB2 LEU A 85 7.478 6.429 3.262 1.00 0.33 H new ATOM 0 HB3 LEU A 85 6.266 7.222 2.275 1.00 0.33 H new ATOM 0 HG LEU A 85 5.981 8.881 4.141 1.00 0.43 H new ATOM 0 HD11 LEU A 85 7.904 9.156 5.671 1.00 0.53 H new ATOM 0 HD12 LEU A 85 7.040 7.621 5.926 1.00 0.53 H new ATOM 0 HD13 LEU A 85 8.587 7.636 5.047 1.00 0.53 H new ATOM 0 HD21 LEU A 85 7.946 10.215 3.564 1.00 0.65 H new ATOM 0 HD22 LEU A 85 8.663 8.788 2.779 1.00 0.65 H new ATOM 0 HD23 LEU A 85 7.156 9.489 2.144 1.00 0.65 H new ATOM 781 N HIS A 86 3.858 7.899 4.678 1.00 0.28 N ATOM 782 CA HIS A 86 2.628 8.668 4.551 1.00 0.27 C ATOM 783 C HIS A 86 2.377 9.116 3.095 1.00 0.28 C ATOM 784 O HIS A 86 3.200 9.805 2.483 1.00 0.34 O ATOM 785 CB HIS A 86 2.622 9.885 5.525 1.00 0.33 C ATOM 786 CG HIS A 86 3.915 10.668 5.592 1.00 0.41 C ATOM 787 ND1 HIS A 86 4.770 11.028 4.635 1.00 0.49 N flip ATOM 788 CD2 HIS A 86 4.454 11.145 6.757 1.00 0.45 C flip ATOM 789 CE1 HIS A 86 5.786 11.699 5.211 1.00 0.56 C flip ATOM 790 NE2 HIS A 86 5.584 11.757 6.487 1.00 0.54 N flip ATOM 0 H HIS A 86 4.459 8.189 5.450 1.00 0.28 H new ATOM 0 HA HIS A 86 1.806 8.010 4.831 1.00 0.27 H new ATOM 0 HB2 HIS A 86 1.821 10.563 5.228 1.00 0.33 H new ATOM 0 HB3 HIS A 86 2.382 9.527 6.526 1.00 0.33 H new ATOM 0 HD1 HIS A 86 4.672 10.830 3.639 1.00 0.49 H new ATOM 0 HD2 HIS A 86 4.020 11.035 7.740 1.00 0.45 H new ATOM 0 HE1 HIS A 86 6.633 12.121 4.691 1.00 0.56 H new ATOM 799 N GLY A 87 1.280 8.664 2.547 1.00 0.26 N ATOM 800 CA GLY A 87 0.892 9.044 1.216 1.00 0.32 C ATOM 801 C GLY A 87 1.366 8.099 0.114 1.00 0.26 C ATOM 802 O GLY A 87 0.639 7.888 -0.860 1.00 0.26 O ATOM 0 H GLY A 87 0.633 8.025 3.009 1.00 0.26 H new ATOM 0 HA2 GLY A 87 -0.195 9.110 1.175 1.00 0.32 H new ATOM 0 HA3 GLY A 87 1.280 10.042 1.011 1.00 0.32 H new ATOM 806 N GLU A 88 2.564 7.510 0.250 1.00 0.22 N ATOM 807 CA GLU A 88 3.126 6.717 -0.849 1.00 0.18 C ATOM 808 C GLU A 88 3.743 5.423 -0.350 1.00 0.15 C ATOM 809 O GLU A 88 4.387 5.385 0.706 1.00 0.15 O ATOM 810 CB GLU A 88 4.172 7.535 -1.626 1.00 0.17 C ATOM 811 CG GLU A 88 3.630 8.879 -2.084 1.00 0.20 C ATOM 812 CD GLU A 88 4.619 9.738 -2.806 1.00 0.21 C ATOM 813 OE1 GLU A 88 5.635 10.132 -2.211 1.00 0.26 O ATOM 814 OE2 GLU A 88 4.384 10.070 -3.992 1.00 0.26 O ATOM 0 H GLU A 88 3.147 7.565 1.085 1.00 0.22 H new ATOM 0 HA GLU A 88 2.305 6.460 -1.518 1.00 0.18 H new ATOM 0 HB2 GLU A 88 5.047 7.694 -0.995 1.00 0.17 H new ATOM 0 HB3 GLU A 88 4.504 6.965 -2.494 1.00 0.17 H new ATOM 0 HG2 GLU A 88 2.774 8.707 -2.736 1.00 0.20 H new ATOM 0 HG3 GLU A 88 3.263 9.423 -1.214 1.00 0.20 H new ATOM 821 N PHE A 89 3.575 4.381 -1.113 1.00 0.13 N ATOM 822 CA PHE A 89 4.066 3.092 -0.757 1.00 0.10 C ATOM 823 C PHE A 89 5.302 2.884 -1.583 1.00 0.09 C ATOM 824 O PHE A 89 5.297 3.099 -2.793 1.00 0.09 O ATOM 825 CB PHE A 89 2.972 2.035 -1.030 1.00 0.09 C ATOM 826 CG PHE A 89 1.691 2.385 -0.294 1.00 0.09 C ATOM 827 CD1 PHE A 89 0.821 3.325 -0.839 1.00 0.14 C ATOM 828 CD2 PHE A 89 1.391 1.856 0.961 1.00 0.18 C ATOM 829 CE1 PHE A 89 -0.300 3.722 -0.175 1.00 0.19 C ATOM 830 CE2 PHE A 89 0.267 2.268 1.637 1.00 0.22 C ATOM 831 CZ PHE A 89 -0.575 3.208 1.059 1.00 0.14 C ATOM 0 H PHE A 89 3.087 4.409 -2.008 1.00 0.13 H new ATOM 0 HA PHE A 89 4.314 3.003 0.301 1.00 0.10 H new ATOM 0 HB2 PHE A 89 2.777 1.975 -2.101 1.00 0.09 H new ATOM 0 HB3 PHE A 89 3.322 1.052 -0.714 1.00 0.09 H new ATOM 0 HD1 PHE A 89 1.039 3.748 -1.808 1.00 0.14 H new ATOM 0 HD2 PHE A 89 2.045 1.119 1.404 1.00 0.18 H new ATOM 0 HE1 PHE A 89 -0.969 4.441 -0.624 1.00 0.19 H new ATOM 0 HE2 PHE A 89 0.040 1.863 2.612 1.00 0.22 H new ATOM 0 HZ PHE A 89 -1.456 3.536 1.591 1.00 0.14 H new ATOM 841 N TYR A 90 6.351 2.524 -0.962 1.00 0.08 N ATOM 842 CA TYR A 90 7.614 2.511 -1.610 1.00 0.08 C ATOM 843 C TYR A 90 8.208 1.126 -1.420 1.00 0.06 C ATOM 844 O TYR A 90 7.938 0.466 -0.418 1.00 0.08 O ATOM 845 CB TYR A 90 8.463 3.572 -0.894 1.00 0.09 C ATOM 846 CG TYR A 90 8.846 4.792 -1.697 1.00 0.10 C ATOM 847 CD1 TYR A 90 7.874 5.726 -2.059 1.00 0.15 C ATOM 848 CD2 TYR A 90 10.157 5.048 -2.065 1.00 0.13 C ATOM 849 CE1 TYR A 90 8.200 6.858 -2.762 1.00 0.22 C ATOM 850 CE2 TYR A 90 10.486 6.187 -2.772 1.00 0.20 C ATOM 851 CZ TYR A 90 9.500 7.089 -3.117 1.00 0.15 C ATOM 852 OH TYR A 90 9.820 8.228 -3.820 1.00 0.34 O ATOM 0 H TYR A 90 6.368 2.227 0.014 1.00 0.08 H new ATOM 0 HA TYR A 90 7.559 2.727 -2.677 1.00 0.08 H new ATOM 0 HB2 TYR A 90 7.918 3.904 -0.011 1.00 0.09 H new ATOM 0 HB3 TYR A 90 9.378 3.095 -0.543 1.00 0.09 H new ATOM 0 HD1 TYR A 90 6.845 5.554 -1.780 1.00 0.15 H new ATOM 0 HD2 TYR A 90 10.932 4.346 -1.795 1.00 0.13 H new ATOM 0 HE1 TYR A 90 7.431 7.566 -3.035 1.00 0.22 H new ATOM 0 HE2 TYR A 90 11.512 6.372 -3.054 1.00 0.20 H new ATOM 0 HH TYR A 90 10.733 8.505 -3.596 1.00 0.34 H new ATOM 862 N CYS A 91 8.946 0.636 -2.382 1.00 0.05 N ATOM 863 CA CYS A 91 9.584 -0.636 -2.170 1.00 0.05 C ATOM 864 C CYS A 91 10.748 -0.410 -1.251 1.00 0.08 C ATOM 865 O CYS A 91 11.274 0.713 -1.235 1.00 0.08 O ATOM 866 CB CYS A 91 10.044 -1.302 -3.480 1.00 0.05 C ATOM 867 SG CYS A 91 11.353 -0.427 -4.356 1.00 0.06 S ATOM 0 H CYS A 91 9.116 1.077 -3.286 1.00 0.05 H new ATOM 0 HA CYS A 91 8.863 -1.324 -1.729 1.00 0.05 H new ATOM 0 HB2 CYS A 91 10.388 -2.312 -3.256 1.00 0.05 H new ATOM 0 HB3 CYS A 91 9.184 -1.398 -4.143 1.00 0.05 H new ATOM 872 N LYS A 92 11.149 -1.405 -0.492 1.00 0.11 N ATOM 873 CA LYS A 92 12.257 -1.229 0.430 1.00 0.13 C ATOM 874 C LYS A 92 13.520 -0.670 -0.296 1.00 0.13 C ATOM 875 O LYS A 92 14.086 0.316 0.182 1.00 0.14 O ATOM 876 CB LYS A 92 12.561 -2.527 1.197 1.00 0.17 C ATOM 877 CG LYS A 92 11.379 -3.066 2.007 1.00 0.24 C ATOM 878 CD LYS A 92 11.744 -4.367 2.697 1.00 0.30 C ATOM 879 CE LYS A 92 10.569 -4.982 3.456 1.00 1.36 C ATOM 880 NZ LYS A 92 10.067 -4.121 4.545 1.00 2.19 N ATOM 0 H LYS A 92 10.732 -2.336 -0.491 1.00 0.11 H new ATOM 0 HA LYS A 92 11.958 -0.485 1.168 1.00 0.13 H new ATOM 0 HB2 LYS A 92 12.879 -3.290 0.487 1.00 0.17 H new ATOM 0 HB3 LYS A 92 13.399 -2.350 1.871 1.00 0.17 H new ATOM 0 HG2 LYS A 92 11.076 -2.328 2.750 1.00 0.24 H new ATOM 0 HG3 LYS A 92 10.525 -3.226 1.349 1.00 0.24 H new ATOM 0 HD2 LYS A 92 12.104 -5.079 1.954 1.00 0.30 H new ATOM 0 HD3 LYS A 92 12.565 -4.188 3.391 1.00 0.30 H new ATOM 0 HE2 LYS A 92 9.758 -5.182 2.756 1.00 1.36 H new ATOM 0 HE3 LYS A 92 10.876 -5.942 3.872 1.00 1.36 H new ATOM 0 HZ1 LYS A 92 9.722 -4.715 5.326 1.00 2.19 H new ATOM 0 HZ2 LYS A 92 10.836 -3.511 4.888 1.00 2.19 H new ATOM 0 HZ3 LYS A 92 9.289 -3.530 4.189 1.00 2.19 H new ATOM 894 N PRO A 93 13.934 -1.225 -1.501 1.00 0.13 N ATOM 895 CA PRO A 93 15.078 -0.687 -2.256 1.00 0.14 C ATOM 896 C PRO A 93 14.937 0.813 -2.586 1.00 0.13 C ATOM 897 O PRO A 93 15.889 1.584 -2.427 1.00 0.14 O ATOM 898 CB PRO A 93 15.078 -1.505 -3.552 1.00 0.14 C ATOM 899 CG PRO A 93 14.407 -2.778 -3.193 1.00 0.14 C ATOM 900 CD PRO A 93 13.366 -2.423 -2.194 1.00 0.13 C ATOM 0 HA PRO A 93 15.998 -0.765 -1.677 1.00 0.14 H new ATOM 0 HB2 PRO A 93 14.544 -0.986 -4.348 1.00 0.14 H new ATOM 0 HB3 PRO A 93 16.093 -1.679 -3.910 1.00 0.14 H new ATOM 0 HG2 PRO A 93 13.962 -3.246 -4.071 1.00 0.14 H new ATOM 0 HG3 PRO A 93 15.119 -3.491 -2.778 1.00 0.14 H new ATOM 0 HD2 PRO A 93 12.413 -2.195 -2.672 1.00 0.13 H new ATOM 0 HD3 PRO A 93 13.185 -3.241 -1.496 1.00 0.13 H new ATOM 908 N HIS A 94 13.765 1.231 -3.035 1.00 0.11 N ATOM 909 CA HIS A 94 13.560 2.638 -3.382 1.00 0.11 C ATOM 910 C HIS A 94 13.421 3.520 -2.175 1.00 0.12 C ATOM 911 O HIS A 94 13.860 4.649 -2.190 1.00 0.13 O ATOM 912 CB HIS A 94 12.413 2.874 -4.382 1.00 0.09 C ATOM 913 CG HIS A 94 12.772 2.557 -5.801 1.00 0.10 C ATOM 914 ND1 HIS A 94 11.846 2.093 -6.699 1.00 0.09 N ATOM 915 CD2 HIS A 94 13.965 2.683 -6.414 1.00 0.12 C ATOM 916 CE1 HIS A 94 12.502 1.938 -7.844 1.00 0.10 C ATOM 917 NE2 HIS A 94 13.795 2.290 -7.715 1.00 0.12 N ATOM 0 H HIS A 94 12.950 0.632 -3.168 1.00 0.11 H new ATOM 0 HA HIS A 94 14.476 2.928 -3.897 1.00 0.11 H new ATOM 0 HB2 HIS A 94 11.557 2.265 -4.089 1.00 0.09 H new ATOM 0 HB3 HIS A 94 12.099 3.916 -4.321 1.00 0.09 H new ATOM 0 HD2 HIS A 94 14.884 3.029 -5.964 1.00 0.12 H new ATOM 0 HE1 HIS A 94 12.056 1.577 -8.759 1.00 0.10 H new ATOM 0 HE2 HIS A 94 14.508 2.268 -8.444 1.00 0.12 H new ATOM 925 N PHE A 95 12.835 3.003 -1.130 1.00 0.13 N ATOM 926 CA PHE A 95 12.663 3.755 0.105 1.00 0.16 C ATOM 927 C PHE A 95 14.043 4.047 0.691 1.00 0.19 C ATOM 928 O PHE A 95 14.319 5.155 1.157 1.00 0.22 O ATOM 929 CB PHE A 95 11.826 2.924 1.074 1.00 0.19 C ATOM 930 CG PHE A 95 11.307 3.664 2.269 1.00 0.22 C ATOM 931 CD1 PHE A 95 10.425 4.707 2.118 1.00 0.29 C ATOM 932 CD2 PHE A 95 11.682 3.297 3.536 1.00 0.27 C ATOM 933 CE1 PHE A 95 9.935 5.374 3.212 1.00 0.35 C ATOM 934 CE2 PHE A 95 11.192 3.951 4.637 1.00 0.33 C ATOM 935 CZ PHE A 95 10.316 4.998 4.478 1.00 0.34 C ATOM 0 H PHE A 95 12.461 2.054 -1.100 1.00 0.13 H new ATOM 0 HA PHE A 95 12.150 4.699 -0.080 1.00 0.16 H new ATOM 0 HB2 PHE A 95 10.979 2.506 0.530 1.00 0.19 H new ATOM 0 HB3 PHE A 95 12.428 2.084 1.421 1.00 0.19 H new ATOM 0 HD1 PHE A 95 10.114 5.005 1.127 1.00 0.29 H new ATOM 0 HD2 PHE A 95 12.375 2.479 3.669 1.00 0.27 H new ATOM 0 HE1 PHE A 95 9.248 6.197 3.078 1.00 0.35 H new ATOM 0 HE2 PHE A 95 11.494 3.644 5.627 1.00 0.33 H new ATOM 0 HZ PHE A 95 9.930 5.521 5.341 1.00 0.34 H new ATOM 945 N GLN A 96 14.909 3.052 0.620 1.00 0.20 N ATOM 946 CA GLN A 96 16.283 3.162 1.079 1.00 0.23 C ATOM 947 C GLN A 96 17.096 4.161 0.264 1.00 0.23 C ATOM 948 O GLN A 96 17.835 4.948 0.815 1.00 0.26 O ATOM 949 CB GLN A 96 16.967 1.797 1.102 1.00 0.26 C ATOM 950 CG GLN A 96 16.399 0.837 2.133 1.00 0.41 C ATOM 951 CD GLN A 96 17.059 -0.524 2.100 1.00 0.70 C ATOM 952 OE1 GLN A 96 16.613 -1.444 1.393 1.00 1.18 O ATOM 953 NE2 GLN A 96 18.112 -0.671 2.847 1.00 1.58 N ATOM 0 H GLN A 96 14.676 2.135 0.238 1.00 0.20 H new ATOM 0 HA GLN A 96 16.240 3.545 2.098 1.00 0.23 H new ATOM 0 HB2 GLN A 96 16.883 1.344 0.114 1.00 0.26 H new ATOM 0 HB3 GLN A 96 18.030 1.938 1.299 1.00 0.26 H new ATOM 0 HG2 GLN A 96 16.518 1.268 3.127 1.00 0.41 H new ATOM 0 HG3 GLN A 96 15.329 0.720 1.962 1.00 0.41 H new ATOM 0 HE21 GLN A 96 18.448 0.108 3.414 1.00 1.58 H new ATOM 0 HE22 GLN A 96 18.603 -1.565 2.867 1.00 1.58 H new ATOM 962 N GLN A 97 16.993 4.096 -1.038 1.00 0.21 N ATOM 963 CA GLN A 97 17.737 4.983 -1.893 1.00 0.22 C ATOM 964 C GLN A 97 17.168 6.411 -1.938 1.00 0.24 C ATOM 965 O GLN A 97 17.887 7.377 -1.710 1.00 0.28 O ATOM 966 CB GLN A 97 17.792 4.382 -3.275 1.00 0.22 C ATOM 967 CG GLN A 97 18.600 3.100 -3.338 1.00 0.27 C ATOM 968 CD GLN A 97 18.503 2.420 -4.675 1.00 0.35 C ATOM 969 OE1 GLN A 97 19.301 2.660 -5.579 1.00 1.06 O ATOM 970 NE2 GLN A 97 17.534 1.572 -4.809 1.00 1.29 N ATOM 0 H GLN A 97 16.396 3.433 -1.532 1.00 0.21 H new ATOM 0 HA GLN A 97 18.740 5.085 -1.478 1.00 0.22 H new ATOM 0 HB2 GLN A 97 16.777 4.181 -3.617 1.00 0.22 H new ATOM 0 HB3 GLN A 97 18.222 5.109 -3.963 1.00 0.22 H new ATOM 0 HG2 GLN A 97 19.645 3.323 -3.123 1.00 0.27 H new ATOM 0 HG3 GLN A 97 18.253 2.418 -2.562 1.00 0.27 H new ATOM 0 HE21 GLN A 97 16.894 1.402 -4.033 1.00 1.29 H new ATOM 0 HE22 GLN A 97 17.411 1.074 -5.690 1.00 1.29 H new ATOM 979 N LEU A 98 15.886 6.525 -2.198 1.00 0.21 N ATOM 980 CA LEU A 98 15.240 7.815 -2.380 1.00 0.24 C ATOM 981 C LEU A 98 14.951 8.540 -1.078 1.00 0.26 C ATOM 982 O LEU A 98 15.212 9.734 -0.966 1.00 0.32 O ATOM 983 CB LEU A 98 13.965 7.626 -3.167 1.00 0.20 C ATOM 984 CG LEU A 98 14.149 7.198 -4.622 1.00 0.24 C ATOM 985 CD1 LEU A 98 12.878 6.633 -5.142 1.00 0.21 C ATOM 986 CD2 LEU A 98 14.543 8.382 -5.476 1.00 0.28 C ATOM 0 H LEU A 98 15.256 5.728 -2.290 1.00 0.21 H new ATOM 0 HA LEU A 98 15.939 8.448 -2.927 1.00 0.24 H new ATOM 0 HB2 LEU A 98 13.353 6.879 -2.661 1.00 0.20 H new ATOM 0 HB3 LEU A 98 13.405 8.561 -3.149 1.00 0.20 H new ATOM 0 HG LEU A 98 14.937 6.446 -4.663 1.00 0.24 H new ATOM 0 HD11 LEU A 98 13.013 6.329 -6.180 1.00 0.21 H new ATOM 0 HD12 LEU A 98 12.593 5.767 -4.544 1.00 0.21 H new ATOM 0 HD13 LEU A 98 12.094 7.388 -5.084 1.00 0.21 H new ATOM 0 HD21 LEU A 98 14.670 8.059 -6.509 1.00 0.28 H new ATOM 0 HD22 LEU A 98 13.763 9.142 -5.426 1.00 0.28 H new ATOM 0 HD23 LEU A 98 15.480 8.800 -5.109 1.00 0.28 H new ATOM 998 N PHE A 99 14.447 7.832 -0.080 1.00 0.25 N ATOM 999 CA PHE A 99 14.121 8.489 1.175 1.00 0.32 C ATOM 1000 C PHE A 99 15.199 8.247 2.226 1.00 0.35 C ATOM 1001 O PHE A 99 15.172 8.838 3.310 1.00 0.54 O ATOM 1002 CB PHE A 99 12.718 8.083 1.686 1.00 0.35 C ATOM 1003 CG PHE A 99 11.553 8.661 0.907 1.00 0.38 C ATOM 1004 CD1 PHE A 99 11.696 9.824 0.147 1.00 0.62 C ATOM 1005 CD2 PHE A 99 10.307 8.036 0.924 1.00 0.44 C ATOM 1006 CE1 PHE A 99 10.638 10.334 -0.572 1.00 0.64 C ATOM 1007 CE2 PHE A 99 9.254 8.560 0.201 1.00 0.47 C ATOM 1008 CZ PHE A 99 9.426 9.707 -0.546 1.00 0.42 C ATOM 0 H PHE A 99 14.259 6.830 -0.110 1.00 0.25 H new ATOM 0 HA PHE A 99 14.091 9.562 0.983 1.00 0.32 H new ATOM 0 HB2 PHE A 99 12.643 6.996 1.667 1.00 0.35 H new ATOM 0 HB3 PHE A 99 12.626 8.391 2.728 1.00 0.35 H new ATOM 0 HD1 PHE A 99 12.650 10.330 0.123 1.00 0.62 H new ATOM 0 HD2 PHE A 99 10.165 7.137 1.506 1.00 0.44 H new ATOM 0 HE1 PHE A 99 10.768 11.232 -1.158 1.00 0.64 H new ATOM 0 HE2 PHE A 99 8.292 8.070 0.220 1.00 0.47 H new ATOM 0 HZ PHE A 99 8.599 10.110 -1.112 1.00 0.42 H new ATOM 1018 N LYS A 100 16.147 7.364 1.887 1.00 0.30 N ATOM 1019 CA LYS A 100 17.306 7.047 2.704 1.00 0.37 C ATOM 1020 C LYS A 100 16.921 6.438 4.036 1.00 0.60 C ATOM 1021 O LYS A 100 17.588 6.636 5.051 1.00 1.48 O ATOM 1022 CB LYS A 100 18.243 8.249 2.862 1.00 0.79 C ATOM 1023 CG LYS A 100 18.804 8.771 1.538 1.00 1.70 C ATOM 1024 CD LYS A 100 19.862 9.880 1.707 1.00 2.17 C ATOM 1025 CE LYS A 100 19.306 11.245 2.157 1.00 3.02 C ATOM 1026 NZ LYS A 100 18.762 11.273 3.536 1.00 3.68 N ATOM 0 H LYS A 100 16.120 6.841 1.012 1.00 0.30 H new ATOM 0 HA LYS A 100 17.867 6.282 2.168 1.00 0.37 H new ATOM 0 HB2 LYS A 100 17.705 9.055 3.361 1.00 0.79 H new ATOM 0 HB3 LYS A 100 19.072 7.969 3.512 1.00 0.79 H new ATOM 0 HG2 LYS A 100 19.246 7.940 0.988 1.00 1.70 H new ATOM 0 HG3 LYS A 100 17.983 9.154 0.931 1.00 1.70 H new ATOM 0 HD2 LYS A 100 20.602 9.548 2.435 1.00 2.17 H new ATOM 0 HD3 LYS A 100 20.384 10.011 0.759 1.00 2.17 H new ATOM 0 HE2 LYS A 100 20.100 11.988 2.080 1.00 3.02 H new ATOM 0 HE3 LYS A 100 18.519 11.547 1.465 1.00 3.02 H new ATOM 0 HZ1 LYS A 100 19.018 12.172 3.992 1.00 3.68 H new ATOM 0 HZ2 LYS A 100 17.726 11.184 3.503 1.00 3.68 H new ATOM 0 HZ3 LYS A 100 19.160 10.482 4.082 1.00 3.68 H new ATOM 1040 N SER A 101 15.860 5.690 4.028 1.00 0.82 N ATOM 1041 CA SER A 101 15.366 5.059 5.218 1.00 1.14 C ATOM 1042 C SER A 101 15.179 3.571 4.949 1.00 0.92 C ATOM 1043 O SER A 101 14.807 3.186 3.845 1.00 1.67 O ATOM 1044 CB SER A 101 14.031 5.703 5.585 1.00 1.78 C ATOM 1045 OG SER A 101 14.163 7.119 5.654 1.00 2.59 O ATOM 0 H SER A 101 15.308 5.498 3.192 1.00 0.82 H new ATOM 0 HA SER A 101 16.069 5.183 6.042 1.00 1.14 H new ATOM 0 HB2 SER A 101 13.277 5.438 4.844 1.00 1.78 H new ATOM 0 HB3 SER A 101 13.686 5.317 6.544 1.00 1.78 H new ATOM 0 HG SER A 101 13.299 7.517 5.888 1.00 2.59 H new ATOM 1051 N LYS A 102 15.497 2.755 5.934 1.00 1.04 N ATOM 1052 CA LYS A 102 15.300 1.317 5.866 1.00 0.85 C ATOM 1053 C LYS A 102 13.822 1.043 5.682 1.00 0.79 C ATOM 1054 O LYS A 102 13.023 1.492 6.491 1.00 1.68 O ATOM 1055 CB LYS A 102 15.780 0.684 7.186 1.00 1.88 C ATOM 1056 CG LYS A 102 15.523 -0.818 7.348 1.00 2.59 C ATOM 1057 CD LYS A 102 16.359 -1.670 6.405 1.00 3.33 C ATOM 1058 CE LYS A 102 16.082 -3.148 6.646 1.00 4.31 C ATOM 1059 NZ LYS A 102 16.947 -4.022 5.835 1.00 4.85 N ATOM 0 H LYS A 102 15.904 3.073 6.814 1.00 1.04 H new ATOM 0 HA LYS A 102 15.863 0.894 5.034 1.00 0.85 H new ATOM 0 HB2 LYS A 102 16.851 0.861 7.281 1.00 1.88 H new ATOM 0 HB3 LYS A 102 15.296 1.206 8.012 1.00 1.88 H new ATOM 0 HG2 LYS A 102 15.736 -1.108 8.377 1.00 2.59 H new ATOM 0 HG3 LYS A 102 14.467 -1.021 7.172 1.00 2.59 H new ATOM 0 HD2 LYS A 102 16.129 -1.413 5.371 1.00 3.33 H new ATOM 0 HD3 LYS A 102 17.418 -1.461 6.557 1.00 3.33 H new ATOM 0 HE2 LYS A 102 16.229 -3.375 7.702 1.00 4.31 H new ATOM 0 HE3 LYS A 102 15.038 -3.361 6.417 1.00 4.31 H new ATOM 0 HZ1 LYS A 102 16.720 -5.017 6.035 1.00 4.85 H new ATOM 0 HZ2 LYS A 102 16.789 -3.827 4.826 1.00 4.85 H new ATOM 0 HZ3 LYS A 102 17.943 -3.840 6.071 1.00 4.85 H new ATOM 1073 N GLY A 103 13.466 0.351 4.601 1.00 0.81 N ATOM 1074 CA GLY A 103 12.083 0.017 4.339 1.00 1.93 C ATOM 1075 C GLY A 103 11.476 -0.828 5.421 1.00 2.25 C ATOM 1076 O GLY A 103 11.586 -2.049 5.393 1.00 2.66 O ATOM 0 H GLY A 103 14.123 0.014 3.897 1.00 0.81 H new ATOM 0 HA2 GLY A 103 11.505 0.935 4.234 1.00 1.93 H new ATOM 0 HA3 GLY A 103 12.015 -0.513 3.389 1.00 1.93 H new ATOM 1080 N ASN A 104 10.833 -0.191 6.360 1.00 2.63 N ATOM 1081 CA ASN A 104 10.272 -0.875 7.485 1.00 2.95 C ATOM 1082 C ASN A 104 8.806 -0.574 7.625 1.00 3.69 C ATOM 1083 O ASN A 104 8.350 0.545 7.332 1.00 4.12 O ATOM 1084 CB ASN A 104 11.002 -0.498 8.797 1.00 3.02 C ATOM 1085 CG ASN A 104 10.767 0.950 9.262 1.00 3.71 C ATOM 1086 OD1 ASN A 104 9.832 1.236 10.023 1.00 4.38 O ATOM 1087 ND2 ASN A 104 11.591 1.861 8.810 1.00 4.01 N ATOM 0 H ASN A 104 10.685 0.818 6.364 1.00 2.63 H new ATOM 0 HA ASN A 104 10.401 -1.942 7.306 1.00 2.95 H new ATOM 0 HB2 ASN A 104 10.679 -1.177 9.586 1.00 3.02 H new ATOM 0 HB3 ASN A 104 12.072 -0.654 8.661 1.00 3.02 H new ATOM 0 HD21 ASN A 104 11.472 2.837 9.083 1.00 4.01 H new ATOM 0 HD22 ASN A 104 12.352 1.595 8.185 1.00 4.01 H new ATOM 1094 N TYR A 105 8.083 -1.600 7.993 1.00 4.27 N ATOM 1095 CA TYR A 105 6.688 -1.549 8.364 1.00 5.20 C ATOM 1096 C TYR A 105 6.318 -2.954 8.785 1.00 5.64 C ATOM 1097 O TYR A 105 5.258 -3.486 8.480 1.00 6.11 O ATOM 1098 CB TYR A 105 5.766 -1.032 7.248 1.00 5.97 C ATOM 1099 CG TYR A 105 4.760 -0.045 7.800 1.00 6.72 C ATOM 1100 CD1 TYR A 105 3.771 -0.457 8.671 1.00 7.31 C ATOM 1101 CD2 TYR A 105 4.844 1.307 7.502 1.00 7.14 C ATOM 1102 CE1 TYR A 105 2.884 0.438 9.223 1.00 8.24 C ATOM 1103 CE2 TYR A 105 3.966 2.215 8.062 1.00 8.08 C ATOM 1104 CZ TYR A 105 2.986 1.772 8.919 1.00 8.62 C ATOM 1105 OH TYR A 105 2.120 2.675 9.509 1.00 9.70 O ATOM 0 H TYR A 105 8.469 -2.543 8.045 1.00 4.27 H new ATOM 0 HA TYR A 105 6.549 -0.830 9.171 1.00 5.20 H new ATOM 0 HB2 TYR A 105 6.361 -0.555 6.469 1.00 5.97 H new ATOM 0 HB3 TYR A 105 5.245 -1.869 6.783 1.00 5.97 H new ATOM 0 HD1 TYR A 105 3.692 -1.504 8.924 1.00 7.31 H new ATOM 0 HD2 TYR A 105 5.607 1.655 6.822 1.00 7.14 H new ATOM 0 HE1 TYR A 105 2.111 0.092 9.893 1.00 8.24 H new ATOM 0 HE2 TYR A 105 4.049 3.266 7.828 1.00 8.08 H new ATOM 0 HH TYR A 105 2.323 3.579 9.190 1.00 9.70 H new ATOM 1115 N ASP A 106 7.242 -3.528 9.520 1.00 5.76 N ATOM 1116 CA ASP A 106 7.205 -4.913 9.982 1.00 6.37 C ATOM 1117 C ASP A 106 6.318 -5.032 11.203 1.00 7.20 C ATOM 1118 O ASP A 106 5.836 -6.113 11.547 1.00 7.66 O ATOM 1119 CB ASP A 106 8.636 -5.341 10.353 1.00 6.33 C ATOM 1120 CG ASP A 106 9.229 -4.530 11.519 1.00 6.96 C ATOM 1121 OD1 ASP A 106 9.181 -3.266 11.486 1.00 7.36 O ATOM 1122 OD2 ASP A 106 9.749 -5.136 12.480 1.00 7.31 O ATOM 0 H ASP A 106 8.077 -3.030 9.829 1.00 5.76 H new ATOM 0 HA ASP A 106 6.807 -5.551 9.193 1.00 6.37 H new ATOM 0 HB2 ASP A 106 8.635 -6.398 10.618 1.00 6.33 H new ATOM 0 HB3 ASP A 106 9.279 -5.232 9.479 1.00 6.33 H new ATOM 1127 N GLU A 107 6.095 -3.916 11.811 1.00 7.67 N ATOM 1128 CA GLU A 107 5.343 -3.793 13.010 1.00 8.69 C ATOM 1129 C GLU A 107 4.562 -2.508 12.889 1.00 9.33 C ATOM 1130 O GLU A 107 5.172 -1.429 13.027 1.00 9.71 O ATOM 1131 CB GLU A 107 6.311 -3.731 14.196 1.00 9.08 C ATOM 1132 CG GLU A 107 5.663 -3.626 15.562 1.00 9.64 C ATOM 1133 CD GLU A 107 6.690 -3.444 16.643 1.00 10.27 C ATOM 1134 OE1 GLU A 107 7.162 -2.300 16.840 1.00 10.67 O ATOM 1135 OE2 GLU A 107 7.062 -4.434 17.310 1.00 10.54 O ATOM 1136 OXT GLU A 107 3.364 -2.555 12.585 1.00 9.65 O ATOM 0 H GLU A 107 6.450 -3.024 11.468 1.00 7.67 H new ATOM 0 HA GLU A 107 4.670 -4.636 13.167 1.00 8.69 H new ATOM 0 HB2 GLU A 107 6.938 -4.623 14.178 1.00 9.08 H new ATOM 0 HB3 GLU A 107 6.971 -2.874 14.059 1.00 9.08 H new ATOM 0 HG2 GLU A 107 4.968 -2.786 15.573 1.00 9.64 H new ATOM 0 HG3 GLU A 107 5.080 -4.525 15.760 1.00 9.64 H new TER 1143 GLU A 107 HETATM 1144 ZN ZN A 201 -6.668 -0.160 -4.767 1.00 0.07 ZN HETATM 1145 ZN ZN A 202 10.498 0.774 -6.111 1.00 0.07 ZN