USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1045 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 86 CYS SG : rot 180:sc= -0.664 USER MOD Set 1.2: A 87 THR OG1 : rot -60:sc= -0.139 USER MOD Set 1.3: A 109 LYS NZ :NH3+ -174:sc= -0.292 (180deg=-0.546) USER MOD Set 2.1: A 108 LYS NZ :NH3+ 158:sc= -0.134 (180deg=-0.776) USER MOD Set 2.2: A 112 ASN : amide:sc= -1.87! K(o=-2!,f=-0.93) USER MOD Set 3.1: A 99 THR OG1 : rot 121:sc=0.000723 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.00126 USER MOD Set 4.1: A 49 CYS SG : rot 150:sc= -1.02 USER MOD Set 4.2: A 53 LYS NZ :NH3+ -115:sc= -0.331! (180deg=0) USER MOD Set 4.3: A 107 GLN : amide:sc= -2.67! C(o=-4!,f=-20!) USER MOD Set 5.1: A 39 SER OG : rot -65:sc= -0.616! USER MOD Set 5.2: A 42 ASN : amide:sc= -7.19! C(o=-18!,f=-5!) USER MOD Set 5.3: A 82 ASN : amide:sc= -10.3! C(o=-18!,f=-12!) USER MOD Set 6.1: A 16 SER OG : rot 174:sc= -2.96! USER MOD Set 6.2: A 19 ASN : amide:sc= -2.86! C(o=-5.8!,f=-1.5!) USER MOD Single : A 6 SER OG : rot -32:sc= 0.0105 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.96 K(o=-2,f=-2.9!) USER MOD Single : A 23 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-18!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 136:sc= -2.69 (180deg=-4.53!) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -1.36 (180deg=-2.03) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -43:sc= 0.696 USER MOD Single : A 52 TYR OH : rot -2:sc= 1.22 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.133 (180deg=-0.646) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.037 (180deg=-0.455) USER MOD Single : A 62 SER OG : rot 180:sc= -0.592 USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= -1.9 (180deg=-4.21!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -134:sc= -0.088 (180deg=-0.626) USER MOD Single : A 69 TYR OH : rot 150:sc=-0.00198 USER MOD Single : A 70 ASN : amide:sc= -0.515 K(o=-0.52,f=-2.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.355 USER MOD Single : A 76 GLN : amide:sc=-0.00387 K(o=-0.0039,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.747 (180deg=-0.11) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 66:sc= 0.571 USER MOD Single : A 92 SER OG : rot -19:sc= 0.424 USER MOD Single : A 94 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.5!) USER MOD Single : A 95 MET CE :methyl -149:sc= -1.93 (180deg=-4.69!) USER MOD Single : A 102 CYS SG : rot -112:sc= 0.0522 USER MOD Single : A 114 MET CE :methyl -166:sc= -2.65 (180deg=-3.01) USER MOD Single : A 116 LYS NZ :NH3+ -161:sc= -0.134 (180deg=-0.749) USER MOD Single : A 118 SER OG : rot -56:sc= 0.252 USER MOD Single : A 119 TYR OH : rot -155:sc= -3.21! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 139:sc= 1.43 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -132:sc= 0.203! USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -12.031 1.545 -12.323 1.00 15.43 N ATOM 18 CA SER A 6 -13.481 1.871 -12.217 1.00 14.66 C ATOM 19 C SER A 6 -13.764 2.511 -10.857 1.00 13.40 C ATOM 20 O SER A 6 -12.933 2.500 -9.971 1.00 12.58 O ATOM 21 CB SER A 6 -14.301 0.587 -12.352 1.00 15.49 C ATOM 22 OG SER A 6 -14.108 -0.216 -11.195 1.00 15.97 O ATOM 0 HA SER A 6 -13.755 2.567 -13.010 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.358 0.827 -12.470 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.997 0.039 -13.244 1.00 15.49 H new ATOM 0 HG SER A 6 -13.204 -0.074 -10.845 1.00 15.97 H new ATOM 28 N GLN A 7 -14.933 3.066 -10.684 1.00 13.37 N ATOM 29 CA GLN A 7 -15.270 3.704 -9.380 1.00 12.23 C ATOM 30 C GLN A 7 -15.434 2.628 -8.301 1.00 11.36 C ATOM 31 O GLN A 7 -15.280 2.884 -7.125 1.00 10.97 O ATOM 32 CB GLN A 7 -16.570 4.500 -9.504 1.00 13.19 C ATOM 33 CG GLN A 7 -16.329 5.745 -10.359 1.00 13.36 C ATOM 34 CD GLN A 7 -17.630 6.539 -10.483 1.00 13.61 C ATOM 35 OE1 GLN A 7 -18.689 5.971 -10.658 1.00 13.82 O ATOM 36 NE2 GLN A 7 -17.597 7.842 -10.389 1.00 13.77 N ATOM 0 H GLN A 7 -15.669 3.105 -11.389 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.461 4.379 -9.101 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.346 3.881 -9.955 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.927 4.789 -8.516 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.554 6.365 -9.908 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.971 5.457 -11.347 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.708 8.320 -10.242 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -18.460 8.381 -10.463 1.00 13.77 H new ATOM 45 N GLU A 8 -15.771 1.432 -8.685 1.00 13.01 N ATOM 46 CA GLU A 8 -15.969 0.348 -7.678 1.00 12.24 C ATOM 47 C GLU A 8 -14.648 -0.009 -6.984 1.00 11.73 C ATOM 48 O GLU A 8 -14.616 -0.285 -5.803 1.00 11.71 O ATOM 49 CB GLU A 8 -16.510 -0.899 -8.374 1.00 13.27 C ATOM 50 CG GLU A 8 -17.948 -0.648 -8.827 1.00 13.55 C ATOM 51 CD GLU A 8 -18.486 -1.897 -9.523 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.718 -2.828 -9.702 1.00 14.92 O ATOM 53 OE2 GLU A 8 -19.656 -1.902 -9.870 1.00 15.06 O ATOM 0 H GLU A 8 -15.919 1.154 -9.655 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.676 0.705 -6.929 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.886 -1.149 -9.232 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.475 -1.751 -7.695 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.573 -0.399 -7.969 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.984 0.204 -9.506 1.00 13.55 H new ATOM 60 N GLU A 9 -13.568 -0.052 -7.713 1.00 11.46 N ATOM 61 CA GLU A 9 -12.265 -0.444 -7.093 1.00 11.12 C ATOM 62 C GLU A 9 -11.731 0.654 -6.164 1.00 10.28 C ATOM 63 O GLU A 9 -11.241 0.375 -5.087 1.00 10.32 O ATOM 64 CB GLU A 9 -11.248 -0.708 -8.203 1.00 12.40 C ATOM 65 CG GLU A 9 -11.629 -1.992 -8.946 1.00 13.24 C ATOM 66 CD GLU A 9 -10.692 -2.194 -10.137 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.779 -1.399 -10.289 1.00 14.68 O ATOM 68 OE2 GLU A 9 -10.905 -3.138 -10.880 1.00 14.26 O ATOM 0 H GLU A 9 -13.528 0.166 -8.709 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.423 -1.342 -6.496 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.223 0.133 -8.896 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.248 -0.802 -7.780 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.566 -2.846 -8.272 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.662 -1.932 -9.289 1.00 13.24 H new ATOM 75 N VAL A 10 -11.809 1.894 -6.561 1.00 9.75 N ATOM 76 CA VAL A 10 -11.290 2.987 -5.682 1.00 9.10 C ATOM 77 C VAL A 10 -12.079 3.018 -4.369 1.00 7.91 C ATOM 78 O VAL A 10 -11.528 3.255 -3.314 1.00 7.70 O ATOM 79 CB VAL A 10 -11.409 4.339 -6.395 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.433 4.383 -7.572 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.832 4.520 -6.913 1.00 11.17 C ATOM 0 H VAL A 10 -12.206 2.200 -7.449 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.240 2.796 -5.463 1.00 9.10 H new ATOM 0 HB VAL A 10 -11.172 5.139 -5.693 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.518 5.344 -8.079 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.415 4.255 -7.205 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.670 3.582 -8.272 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.915 5.482 -7.420 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.069 3.719 -7.613 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.530 4.489 -6.077 1.00 11.17 H new ATOM 91 N LYS A 11 -13.362 2.771 -4.418 1.00 7.38 N ATOM 92 CA LYS A 11 -14.163 2.777 -3.158 1.00 6.32 C ATOM 93 C LYS A 11 -13.613 1.720 -2.205 1.00 5.68 C ATOM 94 O LYS A 11 -13.562 1.919 -1.007 1.00 5.93 O ATOM 95 CB LYS A 11 -15.635 2.494 -3.459 1.00 8.26 C ATOM 96 CG LYS A 11 -16.245 3.703 -4.169 1.00 8.64 C ATOM 97 CD LYS A 11 -17.717 3.427 -4.472 1.00 9.23 C ATOM 98 CE LYS A 11 -18.332 4.633 -5.186 1.00 9.91 C ATOM 99 NZ LYS A 11 -19.695 4.279 -5.677 1.00 10.51 N ATOM 0 H LYS A 11 -13.887 2.567 -5.269 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.090 3.761 -2.694 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.726 1.606 -4.084 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.175 2.290 -2.534 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.152 4.591 -3.543 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.704 3.906 -5.093 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.809 2.537 -5.095 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.257 3.226 -3.547 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.388 5.482 -4.505 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.700 4.936 -6.021 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -20.113 5.098 -6.162 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -19.629 3.481 -6.340 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -20.295 4.011 -4.871 1.00 10.51 H new ATOM 113 N LYS A 12 -13.191 0.602 -2.722 1.00 5.08 N ATOM 114 CA LYS A 12 -12.637 -0.454 -1.835 1.00 4.72 C ATOM 115 C LYS A 12 -11.433 0.130 -1.106 1.00 4.34 C ATOM 116 O LYS A 12 -11.222 -0.107 0.065 1.00 4.65 O ATOM 117 CB LYS A 12 -12.180 -1.653 -2.667 1.00 6.91 C ATOM 118 CG LYS A 12 -13.391 -2.379 -3.244 1.00 7.86 C ATOM 119 CD LYS A 12 -12.910 -3.573 -4.071 1.00 8.86 C ATOM 120 CE LYS A 12 -14.113 -4.309 -4.656 1.00 9.89 C ATOM 121 NZ LYS A 12 -13.634 -5.386 -5.568 1.00 10.82 N ATOM 0 H LYS A 12 -13.206 0.375 -3.716 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.400 -0.784 -1.130 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.527 -1.319 -3.474 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.598 -2.335 -2.048 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.045 -2.717 -2.440 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.975 -1.701 -3.866 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.254 -3.233 -4.872 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.326 -4.249 -3.447 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.717 -4.736 -3.856 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.751 -3.613 -5.200 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -14.451 -5.890 -5.969 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -13.075 -4.966 -6.338 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -13.042 -6.055 -5.035 1.00 10.82 H new ATOM 135 N TRP A 13 -10.644 0.902 -1.800 1.00 4.15 N ATOM 136 CA TRP A 13 -9.452 1.515 -1.161 1.00 3.58 C ATOM 137 C TRP A 13 -9.908 2.386 0.003 1.00 2.38 C ATOM 138 O TRP A 13 -9.205 2.559 0.969 1.00 2.83 O ATOM 139 CB TRP A 13 -8.716 2.388 -2.176 1.00 4.70 C ATOM 140 CG TRP A 13 -8.368 1.591 -3.402 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.530 0.250 -3.549 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.807 2.069 -4.661 1.00 5.21 C ATOM 143 NE1 TRP A 13 -8.107 -0.116 -4.813 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.651 0.967 -5.535 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.421 3.340 -5.124 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -7.134 1.118 -6.820 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.899 3.496 -6.419 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.755 2.387 -7.266 1.00 6.26 C ATOM 0 H TRP A 13 -10.776 1.134 -2.785 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.785 0.730 -0.805 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.339 3.238 -2.453 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.808 2.791 -1.727 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.925 -0.421 -2.800 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -8.129 -1.072 -5.169 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.527 4.201 -4.480 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -7.027 0.260 -7.467 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.607 4.476 -6.765 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.352 2.514 -8.260 1.00 6.26 H new ATOM 159 N ALA A 14 -11.083 2.936 -0.079 1.00 0.01 N ATOM 160 CA ALA A 14 -11.575 3.791 1.033 1.00 0.01 C ATOM 161 C ALA A 14 -12.136 2.891 2.139 1.00 0.01 C ATOM 162 O ALA A 14 -12.512 3.355 3.198 1.00 0.01 O ATOM 163 CB ALA A 14 -12.682 4.712 0.514 1.00 0.00 C ATOM 0 H ALA A 14 -11.724 2.831 -0.866 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.758 4.395 1.427 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.044 5.340 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.287 5.343 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.504 4.110 0.127 1.00 0.00 H new ATOM 169 N GLU A 15 -12.212 1.606 1.892 1.00 0.01 N ATOM 170 CA GLU A 15 -12.769 0.670 2.922 1.00 0.01 C ATOM 171 C GLU A 15 -11.654 0.010 3.740 1.00 0.01 C ATOM 172 O GLU A 15 -11.856 -0.349 4.883 1.00 0.01 O ATOM 173 CB GLU A 15 -13.576 -0.426 2.224 1.00 0.01 C ATOM 174 CG GLU A 15 -14.846 0.171 1.619 1.00 0.01 C ATOM 175 CD GLU A 15 -15.797 0.599 2.739 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.683 0.055 3.825 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.621 1.463 2.493 1.00 0.01 O ATOM 0 H GLU A 15 -11.913 1.164 1.023 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.401 1.248 3.596 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.975 -0.892 1.443 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.835 -1.209 2.937 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.595 1.028 0.994 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.333 -0.561 0.975 1.00 0.01 H new ATOM 184 N SER A 16 -10.487 -0.181 3.180 1.00 0.01 N ATOM 185 CA SER A 16 -9.409 -0.847 3.971 1.00 0.01 C ATOM 186 C SER A 16 -8.061 -0.762 3.255 1.00 0.00 C ATOM 187 O SER A 16 -7.968 -0.866 2.048 1.00 0.00 O ATOM 188 CB SER A 16 -9.768 -2.321 4.163 1.00 0.01 C ATOM 189 OG SER A 16 -9.808 -2.959 2.892 1.00 0.01 O ATOM 0 H SER A 16 -10.237 0.089 2.229 1.00 0.01 H new ATOM 0 HA SER A 16 -9.327 -0.338 4.931 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.033 -2.807 4.805 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.734 -2.411 4.660 1.00 0.01 H new ATOM 0 HG SER A 16 -9.942 -3.922 3.014 1.00 0.01 H new ATOM 195 N LEU A 17 -7.015 -0.599 4.020 1.00 0.00 N ATOM 196 CA LEU A 17 -5.639 -0.515 3.453 1.00 0.00 C ATOM 197 C LEU A 17 -5.308 -1.802 2.696 1.00 0.01 C ATOM 198 O LEU A 17 -4.691 -1.773 1.651 1.00 0.00 O ATOM 199 CB LEU A 17 -4.655 -0.317 4.608 1.00 0.01 C ATOM 200 CG LEU A 17 -3.213 -0.229 4.087 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.069 0.957 3.116 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.259 -0.044 5.282 1.00 0.00 C ATOM 0 H LEU A 17 -7.059 -0.519 5.036 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.570 0.321 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.906 0.593 5.153 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.742 -1.145 5.312 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.964 -1.146 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.042 1.008 2.754 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.745 0.820 2.272 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.318 1.883 3.634 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.232 0.019 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.515 0.873 5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.354 -0.893 5.958 1.00 0.00 H new ATOM 214 N GLU A 18 -5.702 -2.926 3.216 1.00 0.01 N ATOM 215 CA GLU A 18 -5.397 -4.206 2.524 1.00 0.00 C ATOM 216 C GLU A 18 -5.943 -4.156 1.097 1.00 0.00 C ATOM 217 O GLU A 18 -5.308 -4.615 0.171 1.00 0.01 O ATOM 218 CB GLU A 18 -6.067 -5.357 3.277 1.00 0.01 C ATOM 219 CG GLU A 18 -5.366 -5.573 4.617 1.00 0.01 C ATOM 220 CD GLU A 18 -6.041 -6.724 5.367 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.088 -7.164 4.919 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.498 -7.150 6.373 1.00 0.01 O ATOM 0 H GLU A 18 -6.222 -3.015 4.089 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.318 -4.358 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.121 -5.133 3.439 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.023 -6.269 2.681 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.312 -5.799 4.456 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.409 -4.662 5.213 1.00 0.01 H new ATOM 229 N ASN A 19 -7.109 -3.603 0.907 1.00 0.01 N ATOM 230 CA ASN A 19 -7.684 -3.530 -0.468 1.00 0.00 C ATOM 231 C ASN A 19 -6.763 -2.706 -1.375 1.00 0.00 C ATOM 232 O ASN A 19 -6.412 -3.124 -2.463 1.00 0.01 O ATOM 233 CB ASN A 19 -9.066 -2.876 -0.411 1.00 0.01 C ATOM 234 CG ASN A 19 -10.072 -3.857 0.197 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.925 -5.056 0.059 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.092 -3.398 0.869 1.00 0.01 N ATOM 0 H ASN A 19 -7.689 -3.199 1.642 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.775 -4.538 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.024 -1.965 0.186 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.384 -2.586 -1.412 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.766 -4.045 1.278 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.215 -2.392 0.985 1.00 0.01 H new ATOM 243 N LEU A 20 -6.359 -1.547 -0.936 1.00 0.00 N ATOM 244 CA LEU A 20 -5.455 -0.710 -1.776 1.00 0.01 C ATOM 245 C LEU A 20 -4.165 -1.487 -2.041 1.00 0.01 C ATOM 246 O LEU A 20 -3.687 -1.555 -3.157 1.00 0.00 O ATOM 247 CB LEU A 20 -5.143 0.597 -1.028 1.00 0.00 C ATOM 248 CG LEU A 20 -4.180 1.490 -1.834 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.868 2.027 -3.093 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.759 2.669 -0.956 1.00 0.01 C ATOM 0 H LEU A 20 -6.614 -1.143 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.932 -0.472 -2.726 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.069 1.138 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.702 0.367 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.313 0.901 -2.133 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.172 2.655 -3.648 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.183 1.193 -3.720 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.740 2.616 -2.808 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -3.076 3.311 -1.512 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.641 3.241 -0.667 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.259 2.297 -0.062 1.00 0.01 H new ATOM 262 N ILE A 21 -3.597 -2.068 -1.025 1.00 0.01 N ATOM 263 CA ILE A 21 -2.335 -2.837 -1.209 1.00 0.00 C ATOM 264 C ILE A 21 -2.620 -4.168 -1.925 1.00 0.00 C ATOM 265 O ILE A 21 -1.757 -4.722 -2.574 1.00 0.00 O ATOM 266 CB ILE A 21 -1.693 -3.098 0.163 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.226 -1.762 0.761 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.489 -4.030 0.004 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.747 -1.960 2.204 1.00 0.01 C ATOM 0 H ILE A 21 -3.953 -2.044 -0.069 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.647 -2.257 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.424 -3.566 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.419 -1.348 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.043 -1.041 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.038 -4.211 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.816 -4.977 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.245 -3.566 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.420 -1.004 2.613 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.565 -2.352 2.808 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.085 -2.665 2.218 1.00 0.01 H new ATOM 281 N ASN A 22 -3.810 -4.699 -1.801 1.00 0.00 N ATOM 282 CA ASN A 22 -4.117 -6.008 -2.466 1.00 0.01 C ATOM 283 C ASN A 22 -4.670 -5.785 -3.880 1.00 0.01 C ATOM 284 O ASN A 22 -4.990 -6.728 -4.577 1.00 0.01 O ATOM 285 CB ASN A 22 -5.162 -6.767 -1.646 1.00 0.01 C ATOM 286 CG ASN A 22 -4.544 -7.225 -0.323 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.342 -7.378 -0.220 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.321 -7.451 0.700 1.00 0.01 N ATOM 0 H ASN A 22 -4.580 -4.288 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.193 -6.583 -2.530 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.023 -6.127 -1.454 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.524 -7.628 -2.207 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.920 -7.756 1.587 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.329 -7.322 0.613 1.00 0.01 H new ATOM 295 N HIS A 23 -4.802 -4.556 -4.311 1.00 0.01 N ATOM 296 CA HIS A 23 -5.352 -4.299 -5.682 1.00 0.01 C ATOM 297 C HIS A 23 -4.203 -4.151 -6.689 1.00 0.01 C ATOM 298 O HIS A 23 -3.181 -3.560 -6.401 1.00 0.01 O ATOM 299 CB HIS A 23 -6.186 -3.016 -5.657 1.00 0.00 C ATOM 300 CG HIS A 23 -6.968 -2.894 -6.935 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.463 -2.243 -8.048 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.220 -3.329 -7.292 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.397 -2.304 -9.014 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.488 -2.956 -8.606 1.00 0.01 N ATOM 0 H HIS A 23 -4.555 -3.722 -3.778 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.979 -5.138 -5.984 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.865 -3.029 -4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.535 -2.150 -5.534 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.894 -3.877 -6.651 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.279 -1.878 -9.999 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.336 -3.141 -9.142 1.00 0.01 H new ATOM 312 N GLU A 24 -4.365 -4.701 -7.866 1.00 0.01 N ATOM 313 CA GLU A 24 -3.290 -4.619 -8.902 1.00 0.01 C ATOM 314 C GLU A 24 -2.994 -3.155 -9.241 1.00 0.01 C ATOM 315 O GLU A 24 -1.852 -2.770 -9.422 1.00 0.01 O ATOM 316 CB GLU A 24 -3.756 -5.348 -10.169 1.00 0.01 C ATOM 317 CG GLU A 24 -2.663 -5.292 -11.243 1.00 0.01 C ATOM 318 CD GLU A 24 -3.143 -6.023 -12.498 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.169 -6.678 -12.421 1.00 0.01 O ATOM 320 OE2 GLU A 24 -2.475 -5.916 -13.513 1.00 0.00 O ATOM 0 H GLU A 24 -5.202 -5.207 -8.156 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.384 -5.084 -8.515 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.993 -6.386 -9.934 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.670 -4.890 -10.546 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.425 -4.255 -11.482 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.748 -5.751 -10.870 1.00 0.01 H new ATOM 327 N CYS A 25 -4.003 -2.333 -9.336 1.00 0.01 N ATOM 328 CA CYS A 25 -3.758 -0.902 -9.672 1.00 0.01 C ATOM 329 C CYS A 25 -3.405 -0.160 -8.392 1.00 0.01 C ATOM 330 O CYS A 25 -2.639 0.782 -8.400 1.00 0.00 O ATOM 331 CB CYS A 25 -5.016 -0.292 -10.293 1.00 0.01 C ATOM 332 SG CYS A 25 -4.602 1.300 -11.046 1.00 0.00 S ATOM 0 H CYS A 25 -4.981 -2.588 -9.196 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.940 -0.822 -10.388 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.428 -0.966 -11.044 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.783 -0.158 -9.530 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.669 1.820 -11.576 1.00 0.00 H new ATOM 338 N GLY A 26 -3.933 -0.595 -7.284 1.00 0.01 N ATOM 339 CA GLY A 26 -3.593 0.077 -6.005 1.00 0.01 C ATOM 340 C GLY A 26 -2.087 -0.033 -5.800 1.00 0.01 C ATOM 341 O GLY A 26 -1.416 0.935 -5.532 1.00 0.01 O ATOM 0 H GLY A 26 -4.580 -1.380 -7.210 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.898 1.123 -6.031 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.125 -0.390 -5.176 1.00 0.01 H new ATOM 345 N LEU A 27 -1.548 -1.210 -5.945 1.00 0.01 N ATOM 346 CA LEU A 27 -0.080 -1.384 -5.779 1.00 0.00 C ATOM 347 C LEU A 27 0.649 -0.511 -6.799 1.00 0.00 C ATOM 348 O LEU A 27 1.559 0.222 -6.468 1.00 0.00 O ATOM 349 CB LEU A 27 0.290 -2.848 -6.017 1.00 0.00 C ATOM 350 CG LEU A 27 -0.236 -3.725 -4.868 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.182 -5.196 -5.295 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.626 -3.530 -3.604 1.00 0.01 C ATOM 0 H LEU A 27 -2.062 -2.061 -6.172 1.00 0.01 H new ATOM 0 HA LEU A 27 0.209 -1.093 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.130 -3.187 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.373 -2.949 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.263 -3.436 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.553 -5.824 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.802 -5.341 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.848 -5.471 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.241 -4.157 -2.800 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.657 -3.810 -3.820 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.590 -2.485 -3.297 1.00 0.01 H new ATOM 364 N ALA A 28 0.256 -0.576 -8.040 1.00 0.00 N ATOM 365 CA ALA A 28 0.939 0.255 -9.066 1.00 0.00 C ATOM 366 C ALA A 28 0.791 1.731 -8.696 1.00 0.01 C ATOM 367 O ALA A 28 1.749 2.479 -8.677 1.00 0.00 O ATOM 368 CB ALA A 28 0.301 0.004 -10.433 1.00 0.00 C ATOM 0 H ALA A 28 -0.503 -1.164 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 28 1.996 -0.008 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.802 0.613 -11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.402 -1.050 -10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.756 0.269 -10.396 1.00 0.00 H new ATOM 374 N ALA A 29 -0.404 2.152 -8.398 1.00 0.00 N ATOM 375 CA ALA A 29 -0.623 3.577 -8.026 1.00 0.01 C ATOM 376 C ALA A 29 -0.004 3.860 -6.656 1.00 0.00 C ATOM 377 O ALA A 29 0.597 4.892 -6.435 1.00 0.00 O ATOM 378 CB ALA A 29 -2.127 3.851 -7.957 1.00 0.01 C ATOM 0 H ALA A 29 -1.242 1.570 -8.396 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.157 4.219 -8.774 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.295 4.893 -7.685 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.578 3.653 -8.929 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.581 3.203 -7.207 1.00 0.01 H new ATOM 384 N PHE A 30 -0.170 2.958 -5.728 1.00 0.00 N ATOM 385 CA PHE A 30 0.382 3.180 -4.362 1.00 0.00 C ATOM 386 C PHE A 30 1.913 3.192 -4.389 1.00 0.00 C ATOM 387 O PHE A 30 2.535 4.053 -3.804 1.00 0.00 O ATOM 388 CB PHE A 30 -0.115 2.086 -3.415 1.00 0.00 C ATOM 389 CG PHE A 30 0.256 2.458 -2.004 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.325 3.583 -1.412 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.177 1.688 -1.290 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.014 3.942 -0.111 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.514 2.046 0.016 1.00 0.00 C ATOM 394 CZ PHE A 30 0.932 3.176 0.606 1.00 0.00 C ATOM 0 H PHE A 30 -0.665 2.076 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 30 0.037 4.150 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.196 1.973 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.329 1.127 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.039 4.175 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.627 0.819 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.434 4.814 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.224 1.452 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.195 3.453 1.616 1.00 0.00 H new ATOM 404 N LYS A 31 2.535 2.260 -5.059 1.00 0.00 N ATOM 405 CA LYS A 31 4.025 2.269 -5.089 1.00 0.00 C ATOM 406 C LYS A 31 4.491 3.587 -5.701 1.00 0.00 C ATOM 407 O LYS A 31 5.436 4.195 -5.240 1.00 0.00 O ATOM 408 CB LYS A 31 4.544 1.101 -5.929 1.00 0.00 C ATOM 409 CG LYS A 31 4.317 -0.214 -5.185 1.00 0.00 C ATOM 410 CD LYS A 31 4.841 -1.367 -6.039 1.00 0.00 C ATOM 411 CE LYS A 31 4.619 -2.684 -5.305 1.00 0.01 C ATOM 412 NZ LYS A 31 5.464 -2.715 -4.079 1.00 0.00 N ATOM 0 H LYS A 31 2.086 1.506 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 31 4.412 2.167 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.032 1.078 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.606 1.234 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.829 -0.195 -4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.256 -0.351 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.328 -1.383 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.902 -1.228 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.568 -2.792 -5.038 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.871 -3.522 -5.955 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.905 -3.079 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.284 -3.334 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.794 -1.753 -3.860 1.00 0.00 H new ATOM 426 N ALA A 32 3.822 4.048 -6.717 1.00 0.00 N ATOM 427 CA ALA A 32 4.219 5.341 -7.327 1.00 0.00 C ATOM 428 C ALA A 32 3.879 6.459 -6.339 1.00 0.01 C ATOM 429 O ALA A 32 4.633 7.391 -6.149 1.00 0.00 O ATOM 430 CB ALA A 32 3.442 5.554 -8.628 1.00 0.00 C ATOM 0 H ALA A 32 3.021 3.587 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 32 5.286 5.343 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.734 6.504 -9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.664 4.743 -9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.373 5.567 -8.415 1.00 0.00 H new ATOM 436 N PHE A 33 2.740 6.361 -5.707 1.00 0.00 N ATOM 437 CA PHE A 33 2.331 7.402 -4.724 1.00 0.00 C ATOM 438 C PHE A 33 3.339 7.469 -3.573 1.00 0.00 C ATOM 439 O PHE A 33 3.720 8.536 -3.132 1.00 0.00 O ATOM 440 CB PHE A 33 0.947 7.062 -4.175 1.00 0.00 C ATOM 441 CG PHE A 33 0.375 8.274 -3.482 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.037 9.403 -4.235 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.182 8.273 -2.095 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.493 10.532 -3.605 1.00 0.01 C ATOM 445 CE2 PHE A 33 -0.350 9.403 -1.465 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.686 10.533 -2.220 1.00 0.00 C ATOM 0 H PHE A 33 2.073 5.600 -5.831 1.00 0.00 H new ATOM 0 HA PHE A 33 2.302 8.371 -5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.289 6.747 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.015 6.228 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.186 9.402 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.443 7.402 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.753 11.403 -4.187 1.00 0.01 H new ATOM 0 HE2 PHE A 33 -0.502 9.404 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.094 11.406 -1.733 1.00 0.00 H new ATOM 456 N LEU A 34 3.779 6.340 -3.083 1.00 0.00 N ATOM 457 CA LEU A 34 4.767 6.353 -1.964 1.00 0.00 C ATOM 458 C LEU A 34 6.011 7.083 -2.434 1.00 0.00 C ATOM 459 O LEU A 34 6.617 7.842 -1.705 1.00 0.00 O ATOM 460 CB LEU A 34 5.166 4.929 -1.575 1.00 0.00 C ATOM 461 CG LEU A 34 4.001 4.197 -0.889 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.415 2.731 -0.600 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.616 4.926 0.425 1.00 0.00 C ATOM 0 H LEU A 34 3.499 5.414 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 34 4.318 6.845 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.473 4.378 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.026 4.959 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 34 3.132 4.196 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.591 2.209 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.659 2.230 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.287 2.721 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.790 4.400 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.474 4.942 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.313 5.948 0.199 1.00 0.00 H new ATOM 475 N LYS A 35 6.395 6.857 -3.654 1.00 0.00 N ATOM 476 CA LYS A 35 7.600 7.534 -4.186 1.00 0.00 C ATOM 477 C LYS A 35 7.415 9.036 -3.988 1.00 0.01 C ATOM 478 O LYS A 35 8.326 9.745 -3.610 1.00 0.00 O ATOM 479 CB LYS A 35 7.722 7.208 -5.674 1.00 0.00 C ATOM 480 CG LYS A 35 9.120 7.579 -6.172 1.00 0.00 C ATOM 481 CD LYS A 35 9.249 7.253 -7.669 1.00 0.00 C ATOM 482 CE LYS A 35 9.026 5.753 -7.915 1.00 0.00 C ATOM 483 NZ LYS A 35 9.577 4.966 -6.775 1.00 0.01 N ATOM 0 H LYS A 35 5.924 6.230 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 35 8.503 7.203 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.537 6.147 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.967 7.755 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.305 8.640 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.874 7.032 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.522 7.833 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.237 7.543 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.961 5.548 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.510 5.452 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.816 4.007 -7.099 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.433 5.432 -6.413 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 8.867 4.909 -6.017 1.00 0.01 H new ATOM 497 N SER A 36 6.223 9.519 -4.209 1.00 0.00 N ATOM 498 CA SER A 36 5.953 10.965 -4.003 1.00 0.00 C ATOM 499 C SER A 36 6.097 11.276 -2.511 1.00 0.00 C ATOM 500 O SER A 36 6.289 12.409 -2.117 1.00 0.00 O ATOM 501 CB SER A 36 4.530 11.289 -4.454 1.00 0.00 C ATOM 502 OG SER A 36 4.306 10.731 -5.742 1.00 0.00 O ATOM 0 H SER A 36 5.423 8.970 -4.525 1.00 0.00 H new ATOM 0 HA SER A 36 6.656 11.563 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.810 10.887 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.382 12.369 -4.482 1.00 0.00 H new ATOM 0 HG SER A 36 3.393 10.936 -6.033 1.00 0.00 H new ATOM 508 N GLU A 37 6.001 10.267 -1.678 1.00 0.00 N ATOM 509 CA GLU A 37 6.125 10.477 -0.201 1.00 0.00 C ATOM 510 C GLU A 37 7.507 10.015 0.262 1.00 0.00 C ATOM 511 O GLU A 37 7.796 9.978 1.441 1.00 0.00 O ATOM 512 CB GLU A 37 5.055 9.656 0.523 1.00 0.00 C ATOM 513 CG GLU A 37 3.668 10.193 0.165 1.00 0.00 C ATOM 514 CD GLU A 37 2.598 9.372 0.888 1.00 0.01 C ATOM 515 OE1 GLU A 37 2.945 8.350 1.456 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.449 9.781 0.862 1.00 0.00 O ATOM 0 H GLU A 37 5.841 9.300 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 37 5.993 11.535 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.134 8.606 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.209 9.708 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.589 11.243 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.514 10.141 -0.913 1.00 0.00 H new ATOM 523 N TYR A 38 8.365 9.673 -0.658 1.00 0.00 N ATOM 524 CA TYR A 38 9.733 9.226 -0.278 1.00 0.00 C ATOM 525 C TYR A 38 9.640 8.094 0.742 1.00 0.00 C ATOM 526 O TYR A 38 10.400 8.031 1.687 1.00 0.00 O ATOM 527 CB TYR A 38 10.488 10.406 0.326 1.00 0.00 C ATOM 528 CG TYR A 38 10.419 11.563 -0.636 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.306 11.631 -1.715 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.456 12.561 -0.456 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.233 12.702 -2.613 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.381 13.630 -1.353 1.00 0.00 C ATOM 533 CZ TYR A 38 10.269 13.703 -2.432 1.00 0.01 C ATOM 534 OH TYR A 38 10.195 14.756 -3.318 1.00 0.00 O ATOM 0 H TYR A 38 8.176 9.684 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 38 10.262 8.864 -1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.050 10.684 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.526 10.134 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.047 10.858 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.770 12.506 0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.919 12.757 -3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.637 14.400 -1.213 1.00 0.00 H new ATOM 0 HH TYR A 38 9.472 15.360 -3.049 1.00 0.00 H new ATOM 544 N SER A 39 8.705 7.199 0.551 1.00 0.00 N ATOM 545 CA SER A 39 8.533 6.051 1.495 1.00 0.00 C ATOM 546 C SER A 39 8.606 4.749 0.699 1.00 0.00 C ATOM 547 O SER A 39 7.958 3.773 1.016 1.00 0.00 O ATOM 548 CB SER A 39 7.169 6.167 2.178 1.00 0.00 C ATOM 549 OG SER A 39 6.794 4.903 2.711 1.00 0.00 O ATOM 0 H SER A 39 8.046 7.214 -0.227 1.00 0.00 H new ATOM 0 HA SER A 39 9.316 6.061 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.211 6.911 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.421 6.508 1.463 1.00 0.00 H new ATOM 0 HG SER A 39 6.667 4.264 1.979 1.00 0.00 H new ATOM 555 N GLU A 40 9.394 4.728 -0.342 1.00 0.00 N ATOM 556 CA GLU A 40 9.507 3.491 -1.159 1.00 0.00 C ATOM 557 C GLU A 40 10.201 2.402 -0.347 1.00 0.00 C ATOM 558 O GLU A 40 9.954 1.233 -0.525 1.00 0.00 O ATOM 559 CB GLU A 40 10.319 3.772 -2.423 1.00 0.00 C ATOM 560 CG GLU A 40 11.728 4.236 -2.041 1.00 0.00 C ATOM 561 CD GLU A 40 12.498 4.628 -3.305 1.00 0.00 C ATOM 562 OE1 GLU A 40 12.498 3.847 -4.241 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.076 5.703 -3.311 1.00 0.00 O ATOM 0 H GLU A 40 9.962 5.513 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 40 8.507 3.159 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.376 2.873 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.824 4.537 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.670 5.085 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.254 3.440 -1.514 1.00 0.00 H new ATOM 570 N GLU A 41 11.070 2.765 0.548 1.00 0.00 N ATOM 571 CA GLU A 41 11.748 1.717 1.351 1.00 0.00 C ATOM 572 C GLU A 41 10.701 0.985 2.195 1.00 0.00 C ATOM 573 O GLU A 41 10.841 -0.184 2.499 1.00 0.00 O ATOM 574 CB GLU A 41 12.816 2.346 2.254 1.00 0.00 C ATOM 575 CG GLU A 41 12.227 3.511 3.063 1.00 0.00 C ATOM 576 CD GLU A 41 12.181 4.782 2.205 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.657 4.740 1.084 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.663 5.777 2.685 1.00 0.00 O ATOM 0 H GLU A 41 11.338 3.727 0.757 1.00 0.00 H new ATOM 0 HA GLU A 41 12.241 1.008 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.216 1.592 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.648 2.703 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.223 3.256 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.830 3.686 3.954 1.00 0.00 H new ATOM 585 N ASN A 42 9.655 1.666 2.578 1.00 0.00 N ATOM 586 CA ASN A 42 8.600 1.016 3.405 1.00 0.00 C ATOM 587 C ASN A 42 7.944 -0.145 2.649 1.00 0.00 C ATOM 588 O ASN A 42 7.713 -1.196 3.214 1.00 0.00 O ATOM 589 CB ASN A 42 7.527 2.042 3.772 1.00 0.00 C ATOM 590 CG ASN A 42 8.101 3.049 4.770 1.00 0.00 C ATOM 591 OD1 ASN A 42 9.088 2.780 5.423 1.00 0.00 O ATOM 592 ND2 ASN A 42 7.514 4.204 4.921 1.00 0.00 N ATOM 0 H ASN A 42 9.486 2.646 2.353 1.00 0.00 H new ATOM 0 HA ASN A 42 9.070 0.625 4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.182 2.559 2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.661 1.540 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.885 4.881 5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.684 4.430 4.372 1.00 0.00 H new ATOM 599 N ILE A 43 7.615 0.022 1.390 1.00 0.00 N ATOM 600 CA ILE A 43 6.954 -1.106 0.668 1.00 0.00 C ATOM 601 C ILE A 43 7.969 -2.231 0.455 1.00 0.00 C ATOM 602 O ILE A 43 7.657 -3.395 0.607 1.00 0.00 O ATOM 603 CB ILE A 43 6.370 -0.629 -0.677 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.286 -1.616 -1.149 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.467 -0.555 -1.750 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.044 -1.554 -0.240 1.00 0.00 C ATOM 0 H ILE A 43 7.771 0.869 0.844 1.00 0.00 H new ATOM 0 HA ILE A 43 6.126 -1.481 1.269 1.00 0.00 H new ATOM 0 HB ILE A 43 5.942 0.363 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.001 -1.384 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.688 -2.629 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.033 -0.216 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.239 0.146 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.908 -1.542 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.296 -2.261 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.327 -1.810 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.629 -0.546 -0.259 1.00 0.00 H new ATOM 618 N ASP A 44 9.190 -1.898 0.130 1.00 0.00 N ATOM 619 CA ASP A 44 10.206 -2.967 -0.051 1.00 0.00 C ATOM 620 C ASP A 44 10.318 -3.704 1.274 1.00 0.00 C ATOM 621 O ASP A 44 10.373 -4.916 1.333 1.00 0.00 O ATOM 622 CB ASP A 44 11.555 -2.347 -0.419 1.00 0.00 C ATOM 623 CG ASP A 44 11.484 -1.771 -1.834 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.607 -2.182 -2.577 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.307 -0.929 -2.152 1.00 0.00 O ATOM 0 H ASP A 44 9.522 -0.945 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 44 9.917 -3.648 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.812 -1.562 0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.341 -3.100 -0.361 1.00 0.00 H new ATOM 630 N PHE A 45 10.308 -2.961 2.346 1.00 0.00 N ATOM 631 CA PHE A 45 10.363 -3.581 3.694 1.00 0.00 C ATOM 632 C PHE A 45 9.111 -4.435 3.864 1.00 0.00 C ATOM 633 O PHE A 45 9.160 -5.549 4.348 1.00 0.00 O ATOM 634 CB PHE A 45 10.395 -2.470 4.747 1.00 0.00 C ATOM 635 CG PHE A 45 10.306 -3.060 6.132 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.471 -3.445 6.806 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.057 -3.216 6.745 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.386 -3.986 8.095 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.971 -3.753 8.034 1.00 0.00 C ATOM 640 CZ PHE A 45 10.136 -4.139 8.709 1.00 0.00 C ATOM 0 H PHE A 45 10.264 -1.942 2.343 1.00 0.00 H new ATOM 0 HA PHE A 45 11.252 -4.201 3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.314 -1.892 4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.566 -1.781 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.434 -3.325 6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.159 -2.921 6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.284 -4.285 8.616 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.008 -3.870 8.508 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.071 -4.555 9.704 1.00 0.00 H new ATOM 650 N TRP A 46 7.986 -3.916 3.447 1.00 0.00 N ATOM 651 CA TRP A 46 6.718 -4.684 3.556 1.00 0.00 C ATOM 652 C TRP A 46 6.852 -5.977 2.753 1.00 0.00 C ATOM 653 O TRP A 46 6.512 -7.044 3.218 1.00 0.00 O ATOM 654 CB TRP A 46 5.567 -3.849 2.988 1.00 0.00 C ATOM 655 CG TRP A 46 4.283 -4.596 3.138 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.561 -4.670 4.277 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.555 -5.367 2.140 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.437 -5.441 4.046 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.387 -5.895 2.742 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.792 -5.660 0.785 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.487 -6.682 2.026 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.886 -6.454 0.060 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.737 -6.963 0.681 1.00 0.00 C ATOM 0 H TRP A 46 7.894 -2.988 3.034 1.00 0.00 H new ATOM 0 HA TRP A 46 6.514 -4.917 4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.506 -2.894 3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.750 -3.628 1.936 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.820 -4.203 5.216 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.731 -5.649 4.752 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.675 -5.273 0.299 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.603 -7.072 2.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.076 -6.673 -0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.045 -7.573 0.119 1.00 0.00 H new ATOM 674 N ILE A 47 7.354 -5.892 1.549 1.00 0.00 N ATOM 675 CA ILE A 47 7.509 -7.122 0.724 1.00 0.00 C ATOM 676 C ILE A 47 8.447 -8.082 1.451 1.00 0.00 C ATOM 677 O ILE A 47 8.193 -9.267 1.538 1.00 0.00 O ATOM 678 CB ILE A 47 8.098 -6.761 -0.644 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.092 -5.903 -1.421 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.387 -8.041 -1.433 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.758 -5.333 -2.676 1.00 0.00 C ATOM 0 H ILE A 47 7.662 -5.027 1.104 1.00 0.00 H new ATOM 0 HA ILE A 47 6.537 -7.592 0.574 1.00 0.00 H new ATOM 0 HB ILE A 47 9.024 -6.204 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.226 -6.504 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.729 -5.092 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.806 -7.782 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.100 -8.655 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.461 -8.599 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.039 -4.724 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.610 -4.717 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.099 -6.151 -3.310 1.00 0.00 H new ATOM 693 N SER A 48 9.520 -7.579 1.992 1.00 0.00 N ATOM 694 CA SER A 48 10.455 -8.466 2.733 1.00 0.00 C ATOM 695 C SER A 48 9.759 -8.937 4.007 1.00 0.00 C ATOM 696 O SER A 48 9.868 -10.080 4.404 1.00 0.00 O ATOM 697 CB SER A 48 11.723 -7.692 3.097 1.00 0.00 C ATOM 698 OG SER A 48 11.424 -6.763 4.131 1.00 0.00 O ATOM 0 H SER A 48 9.789 -6.596 1.953 1.00 0.00 H new ATOM 0 HA SER A 48 10.730 -9.321 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.502 -8.380 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.108 -7.169 2.222 1.00 0.00 H new ATOM 0 HG SER A 48 10.571 -6.321 3.937 1.00 0.00 H new ATOM 704 N CYS A 49 9.032 -8.059 4.647 1.00 0.00 N ATOM 705 CA CYS A 49 8.314 -8.447 5.891 1.00 0.00 C ATOM 706 C CYS A 49 7.253 -9.494 5.551 1.00 0.00 C ATOM 707 O CYS A 49 7.072 -10.460 6.266 1.00 0.01 O ATOM 708 CB CYS A 49 7.643 -7.214 6.500 1.00 0.00 C ATOM 709 SG CYS A 49 7.042 -7.613 8.160 1.00 0.01 S ATOM 0 H CYS A 49 8.906 -7.089 4.359 1.00 0.00 H new ATOM 0 HA CYS A 49 9.021 -8.862 6.609 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.352 -6.387 6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.815 -6.889 5.870 1.00 0.00 H new ATOM 0 HG CYS A 49 7.068 -6.544 8.899 1.00 0.01 H new ATOM 715 N GLU A 50 6.554 -9.317 4.462 1.00 0.00 N ATOM 716 CA GLU A 50 5.515 -10.314 4.084 1.00 0.00 C ATOM 717 C GLU A 50 6.178 -11.677 3.897 1.00 0.01 C ATOM 718 O GLU A 50 5.696 -12.679 4.374 1.00 0.00 O ATOM 719 CB GLU A 50 4.839 -9.890 2.776 1.00 0.01 C ATOM 720 CG GLU A 50 3.892 -8.714 3.035 1.00 0.00 C ATOM 721 CD GLU A 50 2.685 -9.198 3.840 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.433 -10.390 3.834 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.031 -8.364 4.446 1.00 0.01 O ATOM 0 H GLU A 50 6.657 -8.530 3.822 1.00 0.00 H new ATOM 0 HA GLU A 50 4.763 -10.373 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.593 -9.606 2.042 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.285 -10.729 2.355 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.413 -7.927 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.563 -8.283 2.089 1.00 0.00 H new ATOM 730 N GLU A 51 7.295 -11.722 3.220 1.00 0.01 N ATOM 731 CA GLU A 51 7.984 -13.028 3.023 1.00 0.00 C ATOM 732 C GLU A 51 8.344 -13.604 4.392 1.00 0.01 C ATOM 733 O GLU A 51 8.220 -14.788 4.636 1.00 0.00 O ATOM 734 CB GLU A 51 9.267 -12.808 2.221 1.00 0.00 C ATOM 735 CG GLU A 51 8.915 -12.442 0.778 1.00 0.00 C ATOM 736 CD GLU A 51 10.187 -12.035 0.035 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.245 -12.087 0.640 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.083 -11.680 -1.128 1.00 0.01 O ATOM 0 H GLU A 51 7.756 -10.916 2.798 1.00 0.01 H new ATOM 0 HA GLU A 51 7.330 -13.715 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.859 -12.013 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.878 -13.710 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.445 -13.290 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.194 -11.624 0.764 1.00 0.00 H new ATOM 745 N TYR A 52 8.780 -12.765 5.287 1.00 0.00 N ATOM 746 CA TYR A 52 9.148 -13.235 6.650 1.00 0.01 C ATOM 747 C TYR A 52 7.907 -13.814 7.333 1.00 0.01 C ATOM 748 O TYR A 52 7.970 -14.810 8.027 1.00 0.01 O ATOM 749 CB TYR A 52 9.667 -12.041 7.454 1.00 0.00 C ATOM 750 CG TYR A 52 10.201 -12.508 8.785 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.322 -12.757 9.845 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.578 -12.688 8.960 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.821 -13.188 11.080 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.076 -13.118 10.194 1.00 0.00 C ATOM 755 CZ TYR A 52 11.198 -13.367 11.256 1.00 0.01 C ATOM 756 OH TYR A 52 11.691 -13.790 12.473 1.00 0.01 O ATOM 0 H TYR A 52 8.898 -11.764 5.131 1.00 0.00 H new ATOM 0 HA TYR A 52 9.918 -14.004 6.590 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.452 -11.531 6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.865 -11.319 7.608 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.260 -12.617 9.710 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.256 -12.495 8.142 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.143 -13.383 11.898 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.138 -13.258 10.328 1.00 0.00 H new ATOM 0 HH TYR A 52 10.953 -13.884 13.110 1.00 0.01 H new ATOM 766 N LYS A 53 6.781 -13.182 7.149 1.00 0.01 N ATOM 767 CA LYS A 53 5.524 -13.665 7.788 1.00 0.01 C ATOM 768 C LYS A 53 4.995 -14.912 7.079 1.00 0.01 C ATOM 769 O LYS A 53 4.172 -15.630 7.613 1.00 0.01 O ATOM 770 CB LYS A 53 4.472 -12.562 7.721 1.00 0.01 C ATOM 771 CG LYS A 53 4.879 -11.432 8.665 1.00 0.00 C ATOM 772 CD LYS A 53 3.959 -10.226 8.469 1.00 0.00 C ATOM 773 CE LYS A 53 2.522 -10.593 8.860 1.00 0.01 C ATOM 774 NZ LYS A 53 1.742 -9.347 9.106 1.00 0.00 N ATOM 0 H LYS A 53 6.677 -12.343 6.578 1.00 0.01 H new ATOM 0 HA LYS A 53 5.737 -13.921 8.826 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.383 -12.188 6.701 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.495 -12.955 8.003 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.827 -11.775 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.913 -11.145 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.307 -9.390 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.990 -9.900 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.055 -11.177 8.066 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.525 -11.216 9.754 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 1.463 -9.304 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.327 -8.519 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.890 -9.347 8.509 1.00 0.00 H new ATOM 788 N LYS A 54 5.442 -15.183 5.882 1.00 0.00 N ATOM 789 CA LYS A 54 4.934 -16.388 5.157 1.00 0.01 C ATOM 790 C LYS A 54 5.862 -17.572 5.431 1.00 0.01 C ATOM 791 O LYS A 54 5.463 -18.716 5.338 1.00 0.01 O ATOM 792 CB LYS A 54 4.903 -16.098 3.657 1.00 0.01 C ATOM 793 CG LYS A 54 3.800 -15.081 3.357 1.00 0.01 C ATOM 794 CD LYS A 54 3.767 -14.788 1.856 1.00 0.00 C ATOM 795 CE LYS A 54 2.685 -13.748 1.565 1.00 0.01 C ATOM 796 NZ LYS A 54 2.679 -13.432 0.108 1.00 0.01 N ATOM 0 H LYS A 54 6.132 -14.628 5.376 1.00 0.00 H new ATOM 0 HA LYS A 54 3.928 -16.628 5.502 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.868 -15.711 3.331 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.725 -17.019 3.101 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.835 -15.469 3.683 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.978 -14.161 3.914 1.00 0.01 H new ATOM 0 HD2 LYS A 54 4.738 -14.421 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.566 -15.704 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.710 -14.127 1.870 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.870 -12.843 2.144 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 1.943 -12.724 -0.091 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 3.607 -13.053 -0.169 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 2.483 -14.297 -0.434 1.00 0.01 H new ATOM 810 N ILE A 55 7.088 -17.313 5.791 1.00 0.01 N ATOM 811 CA ILE A 55 8.024 -18.431 6.095 1.00 0.01 C ATOM 812 C ILE A 55 7.628 -19.046 7.440 1.00 0.00 C ATOM 813 O ILE A 55 7.576 -18.367 8.446 1.00 0.01 O ATOM 814 CB ILE A 55 9.457 -17.898 6.163 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.910 -17.495 4.758 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.390 -18.985 6.705 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.171 -16.639 4.858 1.00 0.01 C ATOM 0 H ILE A 55 7.482 -16.377 5.888 1.00 0.01 H new ATOM 0 HA ILE A 55 7.970 -19.189 5.314 1.00 0.01 H new ATOM 0 HB ILE A 55 9.491 -17.033 6.826 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.107 -18.384 4.158 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.119 -16.940 4.254 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.409 -18.600 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.067 -19.277 7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.359 -19.853 6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.495 -16.351 3.858 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.958 -15.744 5.442 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.961 -17.211 5.345 1.00 0.01 H new ATOM 829 N LYS A 56 7.340 -20.320 7.463 1.00 0.01 N ATOM 830 CA LYS A 56 6.933 -20.981 8.742 1.00 0.01 C ATOM 831 C LYS A 56 8.119 -21.733 9.347 1.00 0.01 C ATOM 832 O LYS A 56 7.998 -22.365 10.375 1.00 0.01 O ATOM 833 CB LYS A 56 5.802 -21.963 8.452 1.00 0.01 C ATOM 834 CG LYS A 56 4.541 -21.175 8.099 1.00 0.01 C ATOM 835 CD LYS A 56 3.392 -22.139 7.804 1.00 0.00 C ATOM 836 CE LYS A 56 2.139 -21.337 7.452 1.00 0.00 C ATOM 837 NZ LYS A 56 1.764 -20.470 8.607 1.00 0.00 N ATOM 0 H LYS A 56 7.369 -20.935 6.650 1.00 0.01 H new ATOM 0 HA LYS A 56 6.599 -20.224 9.451 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.077 -22.623 7.629 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.620 -22.596 9.321 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.271 -20.515 8.923 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.728 -20.542 7.232 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.659 -22.800 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.201 -22.772 8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.322 -20.725 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.318 -22.012 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.761 -20.205 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.918 -20.989 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.351 -19.611 8.601 1.00 0.00 H new ATOM 851 N SER A 57 9.262 -21.671 8.717 1.00 0.00 N ATOM 852 CA SER A 57 10.466 -22.383 9.253 1.00 0.01 C ATOM 853 C SER A 57 11.321 -21.393 10.078 1.00 0.01 C ATOM 854 O SER A 57 11.921 -20.502 9.510 1.00 0.00 O ATOM 855 CB SER A 57 11.304 -22.887 8.079 1.00 0.01 C ATOM 856 OG SER A 57 10.583 -23.896 7.383 1.00 0.01 O ATOM 0 H SER A 57 9.417 -21.156 7.850 1.00 0.00 H new ATOM 0 HA SER A 57 10.151 -23.216 9.881 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.540 -22.063 7.406 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.252 -23.285 8.439 1.00 0.01 H new ATOM 0 HG SER A 57 11.118 -24.219 6.629 1.00 0.01 H new ATOM 862 N PRO A 58 11.401 -21.517 11.397 1.00 0.00 N ATOM 863 CA PRO A 58 12.228 -20.561 12.186 1.00 0.01 C ATOM 864 C PRO A 58 13.727 -20.697 11.872 1.00 0.00 C ATOM 865 O PRO A 58 14.546 -19.956 12.379 1.00 0.00 O ATOM 866 CB PRO A 58 11.917 -20.953 13.647 1.00 0.01 C ATOM 867 CG PRO A 58 11.020 -22.208 13.639 1.00 0.01 C ATOM 868 CD PRO A 58 10.700 -22.579 12.179 1.00 0.01 C ATOM 0 HA PRO A 58 11.997 -19.520 11.961 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.841 -21.152 14.190 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.415 -20.133 14.160 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.525 -23.036 14.137 1.00 0.01 H new ATOM 0 HG3 PRO A 58 10.099 -22.018 14.191 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.067 -23.574 11.926 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.627 -22.577 11.989 1.00 0.01 H new ATOM 876 N SER A 59 14.086 -21.639 11.044 1.00 0.01 N ATOM 877 CA SER A 59 15.525 -21.827 10.700 1.00 0.01 C ATOM 878 C SER A 59 15.904 -20.909 9.536 1.00 0.01 C ATOM 879 O SER A 59 17.049 -20.529 9.381 1.00 0.01 O ATOM 880 CB SER A 59 15.758 -23.281 10.289 1.00 0.01 C ATOM 881 OG SER A 59 15.183 -23.504 9.008 1.00 0.01 O ATOM 0 H SER A 59 13.444 -22.288 10.590 1.00 0.01 H new ATOM 0 HA SER A 59 16.138 -21.583 11.567 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.826 -23.497 10.264 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.314 -23.954 11.022 1.00 0.01 H new ATOM 0 HG SER A 59 15.332 -24.435 8.740 1.00 0.01 H new ATOM 887 N LYS A 60 14.958 -20.557 8.706 1.00 0.00 N ATOM 888 CA LYS A 60 15.271 -19.672 7.543 1.00 0.00 C ATOM 889 C LYS A 60 15.045 -18.205 7.922 1.00 0.01 C ATOM 890 O LYS A 60 15.507 -17.304 7.249 1.00 0.01 O ATOM 891 CB LYS A 60 14.352 -20.045 6.378 1.00 0.01 C ATOM 892 CG LYS A 60 14.737 -21.429 5.852 1.00 0.01 C ATOM 893 CD LYS A 60 13.823 -21.809 4.687 1.00 0.01 C ATOM 894 CE LYS A 60 14.211 -23.193 4.164 1.00 0.01 C ATOM 895 NZ LYS A 60 13.947 -24.215 5.217 1.00 0.01 N ATOM 0 H LYS A 60 13.982 -20.843 8.782 1.00 0.00 H new ATOM 0 HA LYS A 60 16.314 -19.805 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.312 -20.044 6.706 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.436 -19.305 5.582 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.777 -21.428 5.526 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.653 -22.168 6.649 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.783 -21.810 5.013 1.00 0.01 H new ATOM 0 HD3 LYS A 60 13.907 -21.071 3.890 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.641 -23.426 3.265 1.00 0.01 H new ATOM 0 HE3 LYS A 60 15.265 -23.206 3.886 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.881 -25.156 4.779 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 14.724 -24.209 5.909 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 13.052 -23.994 5.699 1.00 0.01 H new ATOM 909 N LEU A 61 14.340 -17.953 8.991 1.00 0.01 N ATOM 910 CA LEU A 61 14.092 -16.541 9.406 1.00 0.01 C ATOM 911 C LEU A 61 15.423 -15.855 9.737 1.00 0.01 C ATOM 912 O LEU A 61 15.630 -14.698 9.431 1.00 0.01 O ATOM 913 CB LEU A 61 13.195 -16.517 10.650 1.00 0.01 C ATOM 914 CG LEU A 61 11.846 -17.192 10.357 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.967 -17.145 11.619 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.128 -16.474 9.197 1.00 0.01 C ATOM 0 H LEU A 61 13.925 -18.662 9.595 1.00 0.01 H new ATOM 0 HA LEU A 61 13.601 -16.013 8.588 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.693 -17.029 11.474 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.031 -15.487 10.967 1.00 0.01 H new ATOM 0 HG LEU A 61 12.022 -18.229 10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.009 -17.623 11.413 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.468 -17.671 12.431 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.800 -16.107 11.907 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.174 -16.963 9.001 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.953 -15.432 9.467 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.749 -16.518 8.302 1.00 0.01 H new ATOM 928 N SER A 62 16.310 -16.558 10.384 1.00 0.00 N ATOM 929 CA SER A 62 17.624 -15.957 10.769 1.00 0.01 C ATOM 930 C SER A 62 18.350 -15.342 9.553 1.00 0.01 C ATOM 931 O SER A 62 18.583 -14.151 9.523 1.00 0.01 O ATOM 932 CB SER A 62 18.503 -17.036 11.426 1.00 0.01 C ATOM 933 OG SER A 62 19.853 -16.881 11.003 1.00 0.01 O ATOM 0 H SER A 62 16.183 -17.530 10.666 1.00 0.00 H new ATOM 0 HA SER A 62 17.438 -15.150 11.477 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.441 -16.957 12.511 1.00 0.01 H new ATOM 0 HB3 SER A 62 18.139 -18.028 11.157 1.00 0.01 H new ATOM 0 HG SER A 62 20.409 -17.569 11.425 1.00 0.01 H new ATOM 939 N PRO A 63 18.729 -16.126 8.563 1.00 0.00 N ATOM 940 CA PRO A 63 19.453 -15.569 7.382 1.00 0.00 C ATOM 941 C PRO A 63 18.806 -14.294 6.814 1.00 0.01 C ATOM 942 O PRO A 63 19.457 -13.283 6.649 1.00 0.00 O ATOM 943 CB PRO A 63 19.399 -16.738 6.373 1.00 0.01 C ATOM 944 CG PRO A 63 18.665 -17.920 7.037 1.00 0.01 C ATOM 945 CD PRO A 63 18.477 -17.594 8.529 1.00 0.01 C ATOM 0 HA PRO A 63 20.464 -15.246 7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.880 -16.431 5.465 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.407 -17.033 6.080 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.699 -18.084 6.559 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.239 -18.839 6.918 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.475 -17.843 8.877 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.179 -18.142 9.157 1.00 0.01 H new ATOM 953 N LYS A 64 17.541 -14.337 6.494 1.00 0.01 N ATOM 954 CA LYS A 64 16.886 -13.127 5.920 1.00 0.01 C ATOM 955 C LYS A 64 16.724 -12.047 6.992 1.00 0.00 C ATOM 956 O LYS A 64 16.737 -10.869 6.700 1.00 0.00 O ATOM 957 CB LYS A 64 15.510 -13.501 5.361 1.00 0.00 C ATOM 958 CG LYS A 64 14.565 -13.879 6.505 1.00 0.01 C ATOM 959 CD LYS A 64 13.270 -14.454 5.928 1.00 0.01 C ATOM 960 CE LYS A 64 12.604 -13.424 5.004 1.00 0.01 C ATOM 961 NZ LYS A 64 13.196 -13.522 3.640 1.00 0.00 N ATOM 0 H LYS A 64 16.937 -15.151 6.604 1.00 0.01 H new ATOM 0 HA LYS A 64 17.514 -12.738 5.119 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.097 -12.664 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.605 -14.335 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.041 -14.611 7.158 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.346 -13.003 7.115 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.483 -15.368 5.374 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.590 -14.723 6.736 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.529 -13.602 4.959 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.745 -12.419 5.401 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.757 -12.669 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.810 -14.360 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.435 -13.605 2.936 1.00 0.00 H new ATOM 975 N ALA A 65 16.568 -12.428 8.230 1.00 0.00 N ATOM 976 CA ALA A 65 16.403 -11.400 9.296 1.00 0.01 C ATOM 977 C ALA A 65 17.627 -10.487 9.304 1.00 0.01 C ATOM 978 O ALA A 65 17.514 -9.277 9.304 1.00 0.01 O ATOM 979 CB ALA A 65 16.273 -12.091 10.659 1.00 0.01 C ATOM 0 H ALA A 65 16.548 -13.397 8.548 1.00 0.00 H new ATOM 0 HA ALA A 65 15.506 -10.812 9.102 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.152 -11.339 11.438 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.404 -12.749 10.652 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.170 -12.677 10.857 1.00 0.01 H new ATOM 985 N LYS A 66 18.797 -11.059 9.317 1.00 0.01 N ATOM 986 CA LYS A 66 20.033 -10.231 9.333 1.00 0.00 C ATOM 987 C LYS A 66 20.074 -9.347 8.088 1.00 0.01 C ATOM 988 O LYS A 66 20.416 -8.184 8.157 1.00 0.01 O ATOM 989 CB LYS A 66 21.249 -11.155 9.350 1.00 0.01 C ATOM 990 CG LYS A 66 21.237 -11.968 10.645 1.00 0.01 C ATOM 991 CD LYS A 66 22.449 -12.901 10.682 1.00 0.01 C ATOM 992 CE LYS A 66 22.420 -13.716 11.976 1.00 0.00 C ATOM 993 NZ LYS A 66 23.680 -14.499 12.099 1.00 0.00 N ATOM 0 H LYS A 66 18.951 -12.067 9.317 1.00 0.01 H new ATOM 0 HA LYS A 66 20.041 -9.597 10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.228 -11.821 8.487 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.167 -10.571 9.280 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.255 -11.299 11.505 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.317 -12.549 10.712 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.436 -13.567 9.819 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.370 -12.322 10.624 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.307 -13.053 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.561 -14.387 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.660 -15.053 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.770 -15.142 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.492 -13.849 12.117 1.00 0.00 H new ATOM 1007 N LYS A 67 19.722 -9.880 6.952 1.00 0.00 N ATOM 1008 CA LYS A 67 19.737 -9.058 5.710 1.00 0.00 C ATOM 1009 C LYS A 67 18.697 -7.942 5.819 1.00 0.01 C ATOM 1010 O LYS A 67 18.968 -6.795 5.526 1.00 0.01 O ATOM 1011 CB LYS A 67 19.402 -9.949 4.513 1.00 0.00 C ATOM 1012 CG LYS A 67 20.564 -10.908 4.253 1.00 0.01 C ATOM 1013 CD LYS A 67 20.234 -11.802 3.058 1.00 0.00 C ATOM 1014 CE LYS A 67 21.399 -12.758 2.802 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.623 -11.974 2.472 1.00 0.01 N ATOM 0 H LYS A 67 19.425 -10.848 6.829 1.00 0.00 H new ATOM 0 HA LYS A 67 20.725 -8.618 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.489 -10.511 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.217 -9.337 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.477 -10.345 4.058 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.749 -11.519 5.137 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.322 -12.366 3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.049 -11.192 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.576 -13.376 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.155 -13.434 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.091 -12.393 1.643 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.359 -10.991 2.260 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 23.274 -11.990 3.282 1.00 0.01 H new ATOM 1029 N ILE A 68 17.506 -8.273 6.238 1.00 0.01 N ATOM 1030 CA ILE A 68 16.443 -7.236 6.366 1.00 0.00 C ATOM 1031 C ILE A 68 16.781 -6.296 7.526 1.00 0.01 C ATOM 1032 O ILE A 68 16.719 -5.090 7.399 1.00 0.00 O ATOM 1033 CB ILE A 68 15.103 -7.929 6.629 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.764 -8.831 5.438 1.00 0.00 C ATOM 1035 CG2 ILE A 68 13.999 -6.880 6.800 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.566 -9.716 5.784 1.00 0.00 C ATOM 0 H ILE A 68 17.223 -9.218 6.497 1.00 0.01 H new ATOM 0 HA ILE A 68 16.379 -6.654 5.447 1.00 0.00 H new ATOM 0 HB ILE A 68 15.175 -8.525 7.539 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.538 -8.223 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.624 -9.450 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.048 -7.379 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.240 -6.232 7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.922 -6.281 5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.329 -10.356 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.808 -10.335 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.706 -9.089 6.017 1.00 0.00 H new ATOM 1048 N TYR A 69 17.140 -6.843 8.654 1.00 0.00 N ATOM 1049 CA TYR A 69 17.485 -5.992 9.827 1.00 0.01 C ATOM 1050 C TYR A 69 18.663 -5.082 9.477 1.00 0.00 C ATOM 1051 O TYR A 69 18.633 -3.889 9.698 1.00 0.01 O ATOM 1052 CB TYR A 69 17.878 -6.894 10.999 1.00 0.01 C ATOM 1053 CG TYR A 69 18.235 -6.051 12.200 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.554 -5.618 12.378 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.256 -5.716 13.142 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.894 -4.848 13.496 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.597 -4.945 14.260 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.916 -4.511 14.436 1.00 0.01 C ATOM 1059 OH TYR A 69 19.248 -3.753 15.540 1.00 0.01 O ATOM 0 H TYR A 69 17.210 -7.848 8.814 1.00 0.00 H new ATOM 0 HA TYR A 69 16.624 -5.380 10.098 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.054 -7.564 11.246 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.725 -7.520 10.719 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.310 -5.878 11.652 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.238 -6.052 13.007 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.912 -4.514 13.632 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.842 -4.685 14.987 1.00 0.01 H new ATOM 0 HH TYR A 69 18.473 -3.221 15.817 1.00 0.01 H new ATOM 1069 N ASN A 70 19.708 -5.642 8.942 1.00 0.01 N ATOM 1070 CA ASN A 70 20.896 -4.821 8.589 1.00 0.00 C ATOM 1071 C ASN A 70 20.530 -3.802 7.510 1.00 0.00 C ATOM 1072 O ASN A 70 20.989 -2.678 7.519 1.00 0.01 O ATOM 1073 CB ASN A 70 22.009 -5.728 8.065 1.00 0.00 C ATOM 1074 CG ASN A 70 22.565 -6.572 9.215 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.407 -6.226 10.369 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.211 -7.674 8.946 1.00 0.01 N ATOM 0 H ASN A 70 19.791 -6.637 8.733 1.00 0.01 H new ATOM 0 HA ASN A 70 21.237 -4.295 9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.624 -6.376 7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.804 -5.127 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.583 -8.245 9.705 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.343 -7.964 7.977 1.00 0.01 H new ATOM 1083 N GLU A 71 19.741 -4.200 6.557 1.00 0.00 N ATOM 1084 CA GLU A 71 19.382 -3.270 5.453 1.00 0.00 C ATOM 1085 C GLU A 71 18.345 -2.222 5.890 1.00 0.00 C ATOM 1086 O GLU A 71 18.493 -1.057 5.591 1.00 0.00 O ATOM 1087 CB GLU A 71 18.816 -4.089 4.285 1.00 0.00 C ATOM 1088 CG GLU A 71 18.476 -3.166 3.110 1.00 0.00 C ATOM 1089 CD GLU A 71 17.962 -4.006 1.939 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.074 -5.218 2.012 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.471 -3.422 0.987 1.00 0.00 O ATOM 0 H GLU A 71 19.328 -5.130 6.493 1.00 0.00 H new ATOM 0 HA GLU A 71 20.283 -2.734 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.542 -4.838 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.923 -4.626 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.721 -2.439 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.359 -2.602 2.808 1.00 0.00 H new ATOM 1098 N PHE A 72 17.273 -2.620 6.538 1.00 0.00 N ATOM 1099 CA PHE A 72 16.209 -1.622 6.921 1.00 0.00 C ATOM 1100 C PHE A 72 16.246 -1.199 8.405 1.00 0.00 C ATOM 1101 O PHE A 72 15.678 -0.180 8.750 1.00 0.00 O ATOM 1102 CB PHE A 72 14.836 -2.237 6.638 1.00 0.00 C ATOM 1103 CG PHE A 72 14.704 -2.539 5.164 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.197 -1.568 4.292 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.078 -3.793 4.672 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.066 -1.851 2.928 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.949 -4.077 3.308 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.442 -3.106 2.435 1.00 0.00 C ATOM 0 H PHE A 72 17.086 -3.583 6.818 1.00 0.00 H new ATOM 0 HA PHE A 72 16.399 -0.727 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.710 -3.151 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.049 -1.551 6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.907 -0.600 4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.467 -4.543 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.675 -1.102 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.240 -5.045 2.928 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.341 -3.325 1.382 1.00 0.00 H new ATOM 1118 N ILE A 73 16.838 -1.966 9.295 1.00 0.00 N ATOM 1119 CA ILE A 73 16.809 -1.574 10.758 1.00 0.00 C ATOM 1120 C ILE A 73 18.160 -1.062 11.269 1.00 0.00 C ATOM 1121 O ILE A 73 18.208 -0.159 12.081 1.00 0.01 O ATOM 1122 CB ILE A 73 16.397 -2.795 11.589 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.018 -3.304 11.120 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.347 -2.422 13.077 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.953 -2.201 11.226 1.00 0.00 C ATOM 0 H ILE A 73 17.333 -2.832 9.084 1.00 0.00 H new ATOM 0 HA ILE A 73 16.094 -0.758 10.860 1.00 0.00 H new ATOM 0 HB ILE A 73 17.132 -3.588 11.451 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.086 -3.649 10.088 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.719 -4.161 11.724 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.054 -3.294 13.661 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.331 -2.083 13.400 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.621 -1.623 13.228 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.992 -2.589 10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.869 -1.875 12.263 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.242 -1.355 10.602 1.00 0.00 H new ATOM 1137 N SER A 74 19.255 -1.620 10.847 1.00 0.01 N ATOM 1138 CA SER A 74 20.561 -1.129 11.379 1.00 0.00 C ATOM 1139 C SER A 74 20.725 0.358 11.071 1.00 0.00 C ATOM 1140 O SER A 74 20.434 0.818 9.984 1.00 0.01 O ATOM 1141 CB SER A 74 21.714 -1.910 10.753 1.00 0.00 C ATOM 1142 OG SER A 74 22.933 -1.218 10.999 1.00 0.01 O ATOM 0 H SER A 74 19.309 -2.381 10.170 1.00 0.01 H new ATOM 0 HA SER A 74 20.574 -1.278 12.459 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.760 -2.914 11.174 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.554 -2.021 9.680 1.00 0.00 H new ATOM 0 HG SER A 74 23.678 -1.715 10.601 1.00 0.01 H new ATOM 1148 N VAL A 75 21.198 1.114 12.026 1.00 0.01 N ATOM 1149 CA VAL A 75 21.390 2.573 11.804 1.00 0.01 C ATOM 1150 C VAL A 75 22.326 2.779 10.613 1.00 0.00 C ATOM 1151 O VAL A 75 22.511 3.880 10.135 1.00 0.00 O ATOM 1152 CB VAL A 75 21.996 3.205 13.059 1.00 0.00 C ATOM 1153 CG1 VAL A 75 21.048 2.992 14.242 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.344 2.548 13.366 1.00 0.00 C ATOM 0 H VAL A 75 21.460 0.780 12.954 1.00 0.01 H new ATOM 0 HA VAL A 75 20.430 3.045 11.596 1.00 0.01 H new ATOM 0 HB VAL A 75 22.142 4.272 12.892 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.477 3.441 15.138 1.00 0.01 H new ATOM 0 HG12 VAL A 75 20.087 3.459 14.027 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.904 1.924 14.405 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.774 3.000 14.260 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.199 1.481 13.533 1.00 0.00 H new ATOM 0 HG23 VAL A 75 24.021 2.695 12.524 1.00 0.00 H new ATOM 1164 N GLN A 76 22.915 1.719 10.126 1.00 0.01 N ATOM 1165 CA GLN A 76 23.838 1.832 8.959 1.00 0.01 C ATOM 1166 C GLN A 76 23.045 1.542 7.686 1.00 0.01 C ATOM 1167 O GLN A 76 23.571 1.551 6.590 1.00 0.01 O ATOM 1168 CB GLN A 76 24.960 0.801 9.102 1.00 0.00 C ATOM 1169 CG GLN A 76 25.865 1.190 10.273 1.00 0.01 C ATOM 1170 CD GLN A 76 26.852 0.056 10.558 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.735 -1.019 10.005 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.821 0.251 11.409 1.00 0.01 N ATOM 0 H GLN A 76 22.795 0.773 10.489 1.00 0.01 H new ATOM 0 HA GLN A 76 24.269 2.832 8.914 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.538 -0.190 9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.541 0.750 8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 76 26.406 2.106 10.038 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.263 1.393 11.159 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.918 1.154 11.873 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.481 -0.500 11.611 1.00 0.01 H new ATOM 1181 N ALA A 77 21.776 1.283 7.834 1.00 0.01 N ATOM 1182 CA ALA A 77 20.915 0.988 6.655 1.00 0.00 C ATOM 1183 C ALA A 77 21.102 2.064 5.580 1.00 0.01 C ATOM 1184 O ALA A 77 21.132 3.244 5.865 1.00 0.00 O ATOM 1185 CB ALA A 77 19.451 0.968 7.110 1.00 0.00 C ATOM 0 H ALA A 77 21.293 1.263 8.732 1.00 0.01 H new ATOM 0 HA ALA A 77 21.192 0.022 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.808 0.753 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.316 0.197 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.187 1.939 7.528 1.00 0.00 H new ATOM 1191 N THR A 78 21.205 1.663 4.339 1.00 0.01 N ATOM 1192 CA THR A 78 21.363 2.664 3.247 1.00 0.01 C ATOM 1193 C THR A 78 20.040 3.409 3.080 1.00 0.01 C ATOM 1194 O THR A 78 19.986 4.501 2.551 1.00 0.00 O ATOM 1195 CB THR A 78 21.709 1.950 1.938 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.606 1.149 1.535 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.937 1.063 2.144 1.00 0.01 C ATOM 0 H THR A 78 21.186 0.689 4.037 1.00 0.01 H new ATOM 0 HA THR A 78 22.163 3.362 3.495 1.00 0.01 H new ATOM 0 HB THR A 78 21.926 2.689 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 78 20.823 0.691 0.696 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.181 0.556 1.210 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.782 1.678 2.454 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.725 0.322 2.915 1.00 0.01 H new ATOM 1205 N LYS A 79 18.968 2.815 3.538 1.00 0.00 N ATOM 1206 CA LYS A 79 17.629 3.459 3.426 1.00 0.00 C ATOM 1207 C LYS A 79 16.836 3.187 4.709 1.00 0.00 C ATOM 1208 O LYS A 79 16.069 2.251 4.796 1.00 0.00 O ATOM 1209 CB LYS A 79 16.882 2.880 2.217 1.00 0.00 C ATOM 1210 CG LYS A 79 17.095 1.363 2.143 1.00 0.00 C ATOM 1211 CD LYS A 79 16.345 0.801 0.935 1.00 0.01 C ATOM 1212 CE LYS A 79 16.492 -0.724 0.904 1.00 0.00 C ATOM 1213 NZ LYS A 79 15.466 -1.303 -0.009 1.00 0.00 N ATOM 0 H LYS A 79 18.966 1.900 3.990 1.00 0.00 H new ATOM 0 HA LYS A 79 17.744 4.534 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.818 3.102 2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.238 3.350 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.158 1.138 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.739 0.890 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.291 1.074 0.989 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.740 1.233 0.016 1.00 0.01 H new ATOM 0 HE2 LYS A 79 17.491 -0.997 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.373 -1.132 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.793 -1.873 0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.956 -0.535 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.932 -1.906 -0.717 1.00 0.00 H new ATOM 1227 N GLU A 80 17.016 4.001 5.707 1.00 0.00 N ATOM 1228 CA GLU A 80 16.275 3.788 6.982 1.00 0.00 C ATOM 1229 C GLU A 80 14.775 3.934 6.733 1.00 0.00 C ATOM 1230 O GLU A 80 14.346 4.702 5.896 1.00 0.00 O ATOM 1231 CB GLU A 80 16.728 4.823 8.014 1.00 0.00 C ATOM 1232 CG GLU A 80 18.161 4.512 8.448 1.00 0.00 C ATOM 1233 CD GLU A 80 18.639 5.576 9.437 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.881 6.496 9.700 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.755 5.453 9.915 1.00 0.01 O ATOM 0 H GLU A 80 17.643 4.805 5.698 1.00 0.00 H new ATOM 0 HA GLU A 80 16.482 2.786 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.674 5.825 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.063 4.807 8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.206 3.526 8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.818 4.488 7.579 1.00 0.00 H new ATOM 1242 N VAL A 81 13.974 3.195 7.456 1.00 0.00 N ATOM 1243 CA VAL A 81 12.489 3.269 7.276 1.00 0.00 C ATOM 1244 C VAL A 81 11.887 4.081 8.422 1.00 0.00 C ATOM 1245 O VAL A 81 12.434 4.141 9.503 1.00 0.00 O ATOM 1246 CB VAL A 81 11.913 1.850 7.293 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.151 1.186 5.935 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.611 1.038 8.386 1.00 0.00 C ATOM 0 H VAL A 81 14.286 2.537 8.170 1.00 0.00 H new ATOM 0 HA VAL A 81 12.250 3.748 6.326 1.00 0.00 H new ATOM 0 HB VAL A 81 10.842 1.891 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.741 0.176 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.660 1.768 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.221 1.141 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.205 0.027 8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.681 0.996 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.445 1.512 9.353 1.00 0.00 H new ATOM 1258 N ASN A 82 10.769 4.713 8.198 1.00 0.00 N ATOM 1259 CA ASN A 82 10.153 5.519 9.284 1.00 0.00 C ATOM 1260 C ASN A 82 9.535 4.581 10.324 1.00 0.00 C ATOM 1261 O ASN A 82 8.508 3.971 10.099 1.00 0.00 O ATOM 1262 CB ASN A 82 9.071 6.427 8.691 1.00 0.00 C ATOM 1263 CG ASN A 82 8.281 5.654 7.637 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.240 4.440 7.659 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.644 6.312 6.706 1.00 0.00 N ATOM 0 H ASN A 82 10.259 4.706 7.315 1.00 0.00 H new ATOM 0 HA ASN A 82 10.914 6.134 9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.403 6.777 9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.527 7.310 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.112 5.807 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.678 7.331 6.687 1.00 0.00 H new ATOM 1272 N LEU A 83 10.161 4.469 11.466 1.00 0.00 N ATOM 1273 CA LEU A 83 9.635 3.581 12.544 1.00 0.00 C ATOM 1274 C LEU A 83 9.938 4.223 13.898 1.00 0.00 C ATOM 1275 O LEU A 83 10.753 5.117 14.000 1.00 0.00 O ATOM 1276 CB LEU A 83 10.322 2.209 12.483 1.00 0.01 C ATOM 1277 CG LEU A 83 9.871 1.427 11.240 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.705 0.146 11.131 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.376 1.065 11.345 1.00 0.00 C ATOM 0 H LEU A 83 11.024 4.960 11.700 1.00 0.00 H new ATOM 0 HA LEU A 83 8.561 3.450 12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.404 2.340 12.463 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.086 1.639 13.382 1.00 0.01 H new ATOM 0 HG LEU A 83 10.016 2.045 10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.393 -0.417 10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.760 0.405 11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.556 -0.462 12.023 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.072 0.511 10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.212 0.450 12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.785 1.978 11.423 1.00 0.00 H new ATOM 1291 N ASP A 84 9.294 3.774 14.936 1.00 0.01 N ATOM 1292 CA ASP A 84 9.556 4.360 16.278 1.00 0.00 C ATOM 1293 C ASP A 84 10.948 3.930 16.743 1.00 0.00 C ATOM 1294 O ASP A 84 11.493 2.949 16.274 1.00 0.00 O ATOM 1295 CB ASP A 84 8.508 3.853 17.270 1.00 0.00 C ATOM 1296 CG ASP A 84 7.148 4.471 16.937 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.131 5.488 16.261 1.00 0.00 O ATOM 1298 OD2 ASP A 84 6.148 3.919 17.363 1.00 0.01 O ATOM 0 H ASP A 84 8.599 3.028 14.914 1.00 0.01 H new ATOM 0 HA ASP A 84 9.503 5.447 16.223 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.446 2.766 17.225 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.799 4.114 18.288 1.00 0.00 H new ATOM 1303 N SER A 85 11.530 4.651 17.658 1.00 0.00 N ATOM 1304 CA SER A 85 12.886 4.280 18.146 1.00 0.01 C ATOM 1305 C SER A 85 12.788 2.995 18.963 1.00 0.01 C ATOM 1306 O SER A 85 13.764 2.299 19.168 1.00 0.00 O ATOM 1307 CB SER A 85 13.440 5.400 19.026 1.00 0.01 C ATOM 1308 OG SER A 85 12.710 5.442 20.245 1.00 0.00 O ATOM 0 H SER A 85 11.125 5.482 18.090 1.00 0.00 H new ATOM 0 HA SER A 85 13.551 4.128 17.296 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.498 5.231 19.227 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.363 6.357 18.509 1.00 0.01 H new ATOM 0 HG SER A 85 13.063 6.158 20.813 1.00 0.00 H new ATOM 1314 N CYS A 86 11.616 2.673 19.437 1.00 0.01 N ATOM 1315 CA CYS A 86 11.452 1.435 20.246 1.00 0.01 C ATOM 1316 C CYS A 86 11.274 0.237 19.311 1.00 0.00 C ATOM 1317 O CYS A 86 11.705 -0.861 19.608 1.00 0.01 O ATOM 1318 CB CYS A 86 10.219 1.571 21.140 1.00 0.01 C ATOM 1319 SG CYS A 86 8.729 1.605 20.114 1.00 0.01 S ATOM 0 H CYS A 86 10.764 3.216 19.298 1.00 0.01 H new ATOM 0 HA CYS A 86 12.336 1.285 20.866 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.172 0.738 21.841 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.286 2.483 21.733 1.00 0.01 H new ATOM 0 HG CYS A 86 7.681 1.718 20.875 1.00 0.01 H new ATOM 1325 N THR A 87 10.647 0.434 18.184 1.00 0.00 N ATOM 1326 CA THR A 87 10.452 -0.702 17.239 1.00 0.00 C ATOM 1327 C THR A 87 11.818 -1.250 16.815 1.00 0.00 C ATOM 1328 O THR A 87 12.022 -2.445 16.750 1.00 0.01 O ATOM 1329 CB THR A 87 9.686 -0.225 16.002 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.420 0.281 16.399 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.488 -1.400 15.042 1.00 0.00 C ATOM 0 H THR A 87 10.263 1.328 17.877 1.00 0.00 H new ATOM 0 HA THR A 87 9.879 -1.487 17.733 1.00 0.00 H new ATOM 0 HB THR A 87 10.252 0.561 15.502 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.910 -0.427 16.845 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.943 -1.062 14.161 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.460 -1.791 14.740 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.920 -2.186 15.541 1.00 0.00 H new ATOM 1339 N ARG A 88 12.757 -0.386 16.526 1.00 0.01 N ATOM 1340 CA ARG A 88 14.103 -0.871 16.109 1.00 0.00 C ATOM 1341 C ARG A 88 14.707 -1.694 17.246 1.00 0.00 C ATOM 1342 O ARG A 88 15.131 -2.817 17.061 1.00 0.01 O ATOM 1343 CB ARG A 88 15.013 0.328 15.832 1.00 0.00 C ATOM 1344 CG ARG A 88 14.537 1.062 14.579 1.00 0.00 C ATOM 1345 CD ARG A 88 15.459 2.254 14.323 1.00 0.00 C ATOM 1346 NE ARG A 88 14.864 3.149 13.278 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.557 2.709 12.088 1.00 0.00 C ATOM 1348 NH1 ARG A 88 14.916 1.514 11.707 1.00 0.00 N ATOM 1349 NH2 ARG A 88 13.933 3.491 11.255 1.00 0.01 N ATOM 0 H ARG A 88 12.650 0.628 16.561 1.00 0.01 H new ATOM 0 HA ARG A 88 14.011 -1.480 15.209 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.007 1.006 16.686 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.041 -0.008 15.699 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.545 0.389 13.722 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.509 1.401 14.708 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.611 2.812 15.247 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.438 1.903 13.998 1.00 0.00 H new ATOM 0 HE ARG A 88 14.694 4.129 13.503 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.442 0.913 12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.671 1.181 10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.687 4.441 11.534 1.00 0.01 H new ATOM 0 HH22 ARG A 88 13.690 3.154 10.324 1.00 0.01 H new ATOM 1363 N GLU A 89 14.730 -1.140 18.426 1.00 0.01 N ATOM 1364 CA GLU A 89 15.282 -1.878 19.592 1.00 0.01 C ATOM 1365 C GLU A 89 14.464 -3.147 19.803 1.00 0.01 C ATOM 1366 O GLU A 89 14.986 -4.198 20.116 1.00 0.00 O ATOM 1367 CB GLU A 89 15.209 -0.999 20.841 1.00 0.01 C ATOM 1368 CG GLU A 89 16.215 0.148 20.714 1.00 0.01 C ATOM 1369 CD GLU A 89 16.145 1.032 21.962 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.235 0.837 22.751 1.00 0.01 O ATOM 1371 OE2 GLU A 89 17.007 1.882 22.109 1.00 0.01 O ATOM 0 H GLU A 89 14.388 -0.202 18.632 1.00 0.01 H new ATOM 0 HA GLU A 89 16.324 -2.139 19.406 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.201 -0.602 20.961 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.426 -1.592 21.730 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.223 -0.250 20.594 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.998 0.739 19.824 1.00 0.01 H new ATOM 1378 N GLU A 90 13.177 -3.048 19.642 1.00 0.00 N ATOM 1379 CA GLU A 90 12.310 -4.239 19.837 1.00 0.01 C ATOM 1380 C GLU A 90 12.725 -5.331 18.853 1.00 0.01 C ATOM 1381 O GLU A 90 12.779 -6.495 19.196 1.00 0.01 O ATOM 1382 CB GLU A 90 10.851 -3.844 19.593 1.00 0.01 C ATOM 1383 CG GLU A 90 9.941 -5.056 19.808 1.00 0.00 C ATOM 1384 CD GLU A 90 8.484 -4.636 19.611 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.241 -3.445 19.511 1.00 0.01 O ATOM 1386 OE2 GLU A 90 7.637 -5.513 19.558 1.00 0.00 O ATOM 0 H GLU A 90 12.687 -2.192 19.383 1.00 0.00 H new ATOM 0 HA GLU A 90 12.416 -4.614 20.855 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.565 -3.039 20.270 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.733 -3.465 18.578 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.201 -5.849 19.107 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.083 -5.458 20.811 1.00 0.00 H new ATOM 1393 N THR A 91 13.023 -4.976 17.632 1.00 0.01 N ATOM 1394 CA THR A 91 13.433 -6.018 16.655 1.00 0.01 C ATOM 1395 C THR A 91 14.749 -6.644 17.119 1.00 0.01 C ATOM 1396 O THR A 91 14.887 -7.845 17.165 1.00 0.01 O ATOM 1397 CB THR A 91 13.625 -5.400 15.264 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.544 -4.521 14.985 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.658 -6.510 14.210 1.00 0.01 C ATOM 0 H THR A 91 13.000 -4.021 17.274 1.00 0.01 H new ATOM 0 HA THR A 91 12.655 -6.779 16.596 1.00 0.01 H new ATOM 0 HB THR A 91 14.564 -4.847 15.240 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.578 -3.757 15.597 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.794 -6.070 13.222 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.484 -7.189 14.422 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.719 -7.063 14.234 1.00 0.01 H new ATOM 1407 N SER A 92 15.716 -5.839 17.478 1.00 0.01 N ATOM 1408 CA SER A 92 17.018 -6.410 17.927 1.00 0.01 C ATOM 1409 C SER A 92 16.758 -7.456 19.007 1.00 0.01 C ATOM 1410 O SER A 92 17.399 -8.487 19.049 1.00 0.00 O ATOM 1411 CB SER A 92 17.906 -5.298 18.488 1.00 0.01 C ATOM 1412 OG SER A 92 17.223 -4.634 19.541 1.00 0.01 O ATOM 0 H SER A 92 15.660 -4.821 17.479 1.00 0.01 H new ATOM 0 HA SER A 92 17.525 -6.874 17.081 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.843 -5.716 18.855 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.160 -4.589 17.701 1.00 0.01 H new ATOM 0 HG SER A 92 16.263 -4.821 19.477 1.00 0.01 H new ATOM 1418 N ARG A 93 15.803 -7.224 19.861 1.00 0.01 N ATOM 1419 CA ARG A 93 15.497 -8.238 20.903 1.00 0.01 C ATOM 1420 C ARG A 93 14.993 -9.492 20.188 1.00 0.01 C ATOM 1421 O ARG A 93 15.336 -10.605 20.531 1.00 0.01 O ATOM 1422 CB ARG A 93 14.411 -7.696 21.833 1.00 0.00 C ATOM 1423 CG ARG A 93 14.991 -6.562 22.681 1.00 0.01 C ATOM 1424 CD ARG A 93 13.877 -5.923 23.513 1.00 0.01 C ATOM 1425 NE ARG A 93 13.320 -6.930 24.457 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.561 -6.544 25.445 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.277 -5.278 25.591 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.080 -7.422 26.282 1.00 0.01 N ATOM 0 H ARG A 93 15.226 -6.383 19.883 1.00 0.01 H new ATOM 0 HA ARG A 93 16.381 -8.468 21.498 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.565 -7.333 21.250 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.037 -8.492 22.477 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.773 -6.947 23.336 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.454 -5.813 22.038 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.266 -5.068 24.065 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.090 -5.548 22.859 1.00 0.01 H new ATOM 0 HE ARG A 93 13.531 -7.920 24.332 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.649 -4.593 24.933 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.684 -4.974 26.363 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.297 -8.412 26.164 1.00 0.01 H new ATOM 0 HH22 ARG A 93 11.487 -7.119 27.054 1.00 0.01 H new ATOM 1442 N ASN A 94 14.198 -9.301 19.170 1.00 0.01 N ATOM 1443 CA ASN A 94 13.677 -10.454 18.385 1.00 0.01 C ATOM 1444 C ASN A 94 14.845 -11.092 17.637 1.00 0.01 C ATOM 1445 O ASN A 94 14.954 -12.299 17.542 1.00 0.01 O ATOM 1446 CB ASN A 94 12.615 -9.972 17.391 1.00 0.01 C ATOM 1447 CG ASN A 94 11.361 -9.549 18.157 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.071 -10.078 19.211 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.602 -8.607 17.669 1.00 0.01 N ATOM 0 H ASN A 94 13.885 -8.386 18.847 1.00 0.01 H new ATOM 0 HA ASN A 94 13.218 -11.185 19.051 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.999 -9.135 16.808 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.373 -10.767 16.685 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.765 -8.315 18.173 1.00 0.01 H new ATOM 0 HD22 ASN A 94 10.846 -8.163 16.784 1.00 0.01 H new ATOM 1456 N MET A 95 15.732 -10.285 17.112 1.00 0.01 N ATOM 1457 CA MET A 95 16.905 -10.841 16.383 1.00 0.01 C ATOM 1458 C MET A 95 17.614 -11.807 17.323 1.00 0.01 C ATOM 1459 O MET A 95 18.207 -12.783 16.909 1.00 0.01 O ATOM 1460 CB MET A 95 17.866 -9.711 15.997 1.00 0.01 C ATOM 1461 CG MET A 95 17.170 -8.737 15.042 1.00 0.01 C ATOM 1462 SD MET A 95 16.753 -9.578 13.497 1.00 0.01 S ATOM 1463 CE MET A 95 18.386 -9.493 12.732 1.00 0.01 C ATOM 0 H MET A 95 15.692 -9.267 17.158 1.00 0.01 H new ATOM 0 HA MET A 95 16.581 -11.348 15.474 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.197 -9.183 16.891 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.756 -10.125 15.523 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.266 -8.343 15.506 1.00 0.01 H new ATOM 0 HG3 MET A 95 17.821 -7.887 14.839 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.278 -9.430 11.649 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.913 -8.611 13.096 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.955 -10.387 12.988 1.00 0.01 H new ATOM 1473 N LEU A 96 17.527 -11.542 18.593 1.00 0.01 N ATOM 1474 CA LEU A 96 18.157 -12.437 19.596 1.00 0.01 C ATOM 1475 C LEU A 96 17.446 -13.790 19.515 1.00 0.01 C ATOM 1476 O LEU A 96 18.031 -14.837 19.704 1.00 0.01 O ATOM 1477 CB LEU A 96 17.956 -11.820 20.986 1.00 0.01 C ATOM 1478 CG LEU A 96 19.012 -12.347 21.970 1.00 0.01 C ATOM 1479 CD1 LEU A 96 20.381 -11.694 21.698 1.00 0.01 C ATOM 1480 CD2 LEU A 96 18.560 -12.022 23.399 1.00 0.01 C ATOM 0 H LEU A 96 17.041 -10.734 18.983 1.00 0.01 H new ATOM 0 HA LEU A 96 19.224 -12.564 19.410 1.00 0.01 H new ATOM 0 HB2 LEU A 96 18.022 -10.734 20.921 1.00 0.01 H new ATOM 0 HB3 LEU A 96 16.958 -12.057 21.354 1.00 0.01 H new ATOM 0 HG LEU A 96 19.115 -13.425 21.843 1.00 0.01 H new ATOM 0 HD11 LEU A 96 21.115 -12.080 22.405 1.00 0.01 H new ATOM 0 HD12 LEU A 96 20.699 -11.926 20.682 1.00 0.01 H new ATOM 0 HD13 LEU A 96 20.298 -10.613 21.815 1.00 0.01 H new ATOM 0 HD21 LEU A 96 19.301 -12.391 24.108 1.00 0.01 H new ATOM 0 HD22 LEU A 96 18.456 -10.943 23.511 1.00 0.01 H new ATOM 0 HD23 LEU A 96 17.601 -12.501 23.595 1.00 0.01 H new ATOM 1492 N GLU A 97 16.173 -13.749 19.227 1.00 0.01 N ATOM 1493 CA GLU A 97 15.360 -14.997 19.114 1.00 0.01 C ATOM 1494 C GLU A 97 14.377 -14.826 17.943 1.00 0.01 C ATOM 1495 O GLU A 97 13.225 -14.498 18.147 1.00 0.01 O ATOM 1496 CB GLU A 97 14.573 -15.205 20.412 1.00 0.01 C ATOM 1497 CG GLU A 97 14.063 -13.854 20.925 1.00 0.01 C ATOM 1498 CD GLU A 97 12.964 -14.082 21.966 1.00 0.01 C ATOM 1499 OE1 GLU A 97 12.908 -15.173 22.510 1.00 0.01 O ATOM 1500 OE2 GLU A 97 12.198 -13.163 22.201 1.00 0.01 O ATOM 0 H GLU A 97 15.652 -12.888 19.062 1.00 0.01 H new ATOM 0 HA GLU A 97 16.006 -15.858 18.942 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.735 -15.879 20.237 1.00 0.01 H new ATOM 0 HB3 GLU A 97 15.208 -15.675 21.163 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.883 -13.288 21.366 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.676 -13.262 20.096 1.00 0.01 H new ATOM 1507 N PRO A 98 14.822 -15.020 16.720 1.00 0.01 N ATOM 1508 CA PRO A 98 13.928 -14.842 15.541 1.00 0.01 C ATOM 1509 C PRO A 98 12.628 -15.649 15.661 1.00 0.01 C ATOM 1510 O PRO A 98 12.634 -16.864 15.677 1.00 0.01 O ATOM 1511 CB PRO A 98 14.810 -15.332 14.380 1.00 0.00 C ATOM 1512 CG PRO A 98 16.263 -15.375 14.883 1.00 0.01 C ATOM 1513 CD PRO A 98 16.226 -15.432 16.420 1.00 0.01 C ATOM 0 HA PRO A 98 13.581 -13.816 15.419 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.491 -16.320 14.048 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.721 -14.664 13.524 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.781 -16.246 14.481 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.810 -14.495 14.546 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.446 -16.432 16.795 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.953 -14.756 16.870 1.00 0.01 H new ATOM 1521 N THR A 99 11.516 -14.964 15.742 1.00 0.01 N ATOM 1522 CA THR A 99 10.189 -15.645 15.859 1.00 0.01 C ATOM 1523 C THR A 99 9.255 -15.096 14.779 1.00 0.01 C ATOM 1524 O THR A 99 9.600 -14.180 14.059 1.00 0.01 O ATOM 1525 CB THR A 99 9.598 -15.368 17.244 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.696 -13.978 17.527 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.360 -16.166 18.304 1.00 0.00 C ATOM 0 H THR A 99 11.470 -13.945 15.732 1.00 0.01 H new ATOM 0 HA THR A 99 10.307 -16.721 15.729 1.00 0.01 H new ATOM 0 HB THR A 99 8.551 -15.670 17.258 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.800 -13.611 17.679 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.934 -15.964 19.287 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.280 -17.231 18.085 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.410 -15.872 18.296 1.00 0.00 H new ATOM 1535 N ILE A 100 8.083 -15.652 14.649 1.00 0.00 N ATOM 1536 CA ILE A 100 7.140 -15.165 13.602 1.00 0.01 C ATOM 1537 C ILE A 100 6.623 -13.768 13.977 1.00 0.01 C ATOM 1538 O ILE A 100 6.151 -13.026 13.140 1.00 0.01 O ATOM 1539 CB ILE A 100 5.970 -16.150 13.480 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.123 -15.815 12.239 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.087 -16.064 14.728 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.896 -16.142 10.950 1.00 0.01 C ATOM 0 H ILE A 100 7.737 -16.422 15.222 1.00 0.00 H new ATOM 0 HA ILE A 100 7.656 -15.100 12.644 1.00 0.01 H new ATOM 0 HB ILE A 100 6.371 -17.159 13.383 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.192 -16.381 12.264 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.854 -14.759 12.250 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.258 -16.765 14.636 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.678 -16.314 15.609 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.696 -15.051 14.828 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.280 -15.898 10.085 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.815 -15.556 10.918 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.142 -17.204 10.933 1.00 0.01 H new ATOM 1554 N THR A 101 6.716 -13.402 15.228 1.00 0.00 N ATOM 1555 CA THR A 101 6.235 -12.051 15.658 1.00 0.01 C ATOM 1556 C THR A 101 7.407 -11.069 15.655 1.00 0.01 C ATOM 1557 O THR A 101 7.306 -9.962 16.143 1.00 0.01 O ATOM 1558 CB THR A 101 5.657 -12.144 17.073 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.665 -12.598 17.963 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.481 -13.121 17.086 1.00 0.01 C ATOM 0 H THR A 101 7.105 -13.979 15.974 1.00 0.00 H new ATOM 0 HA THR A 101 5.465 -11.703 14.970 1.00 0.01 H new ATOM 0 HB THR A 101 5.308 -11.161 17.389 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.298 -12.657 18.870 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.072 -13.185 18.094 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.708 -12.769 16.403 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.823 -14.107 16.770 1.00 0.01 H new ATOM 1568 N CYS A 102 8.522 -11.473 15.113 1.00 0.00 N ATOM 1569 CA CYS A 102 9.710 -10.575 15.082 1.00 0.00 C ATOM 1570 C CYS A 102 9.407 -9.298 14.289 1.00 0.01 C ATOM 1571 O CYS A 102 9.564 -8.201 14.786 1.00 0.01 O ATOM 1572 CB CYS A 102 10.881 -11.311 14.428 1.00 0.00 C ATOM 1573 SG CYS A 102 12.230 -10.147 14.104 1.00 0.01 S ATOM 0 H CYS A 102 8.662 -12.390 14.689 1.00 0.00 H new ATOM 0 HA CYS A 102 9.964 -10.297 16.105 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.228 -12.113 15.080 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.557 -11.775 13.497 1.00 0.00 H new ATOM 0 HG CYS A 102 12.362 -9.982 12.821 1.00 0.01 H new ATOM 1579 N PHE A 103 9.003 -9.429 13.050 1.00 0.00 N ATOM 1580 CA PHE A 103 8.726 -8.217 12.211 1.00 0.01 C ATOM 1581 C PHE A 103 7.227 -7.892 12.178 1.00 0.01 C ATOM 1582 O PHE A 103 6.813 -6.935 11.555 1.00 0.00 O ATOM 1583 CB PHE A 103 9.220 -8.486 10.789 1.00 0.00 C ATOM 1584 CG PHE A 103 10.724 -8.612 10.803 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.525 -7.478 10.621 1.00 0.00 C ATOM 1586 CD2 PHE A 103 11.321 -9.865 10.999 1.00 0.01 C ATOM 1587 CE1 PHE A 103 12.920 -7.595 10.638 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.716 -9.982 11.016 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.516 -8.848 10.835 1.00 0.00 C ATOM 0 H PHE A 103 8.852 -10.322 12.581 1.00 0.00 H new ATOM 0 HA PHE A 103 9.245 -7.363 12.645 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.770 -9.400 10.401 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.917 -7.675 10.126 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.066 -6.512 10.467 1.00 0.00 H new ATOM 0 HD2 PHE A 103 10.704 -10.741 11.137 1.00 0.01 H new ATOM 0 HE1 PHE A 103 13.537 -6.719 10.499 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.175 -10.948 11.169 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.592 -8.938 10.847 1.00 0.00 H new ATOM 1599 N ASP A 104 6.406 -8.661 12.838 1.00 0.01 N ATOM 1600 CA ASP A 104 4.944 -8.357 12.826 1.00 0.01 C ATOM 1601 C ASP A 104 4.705 -6.970 13.424 1.00 0.00 C ATOM 1602 O ASP A 104 3.886 -6.209 12.950 1.00 0.01 O ATOM 1603 CB ASP A 104 4.180 -9.403 13.639 1.00 0.01 C ATOM 1604 CG ASP A 104 4.165 -10.727 12.874 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.563 -10.722 11.726 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.736 -11.716 13.445 1.00 0.00 O ATOM 0 H ASP A 104 6.679 -9.480 13.381 1.00 0.01 H new ATOM 0 HA ASP A 104 4.587 -8.379 11.797 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.651 -9.538 14.613 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.160 -9.064 13.822 1.00 0.01 H new ATOM 1611 N GLU A 105 5.415 -6.640 14.466 1.00 0.00 N ATOM 1612 CA GLU A 105 5.233 -5.306 15.104 1.00 0.00 C ATOM 1613 C GLU A 105 5.636 -4.210 14.113 1.00 0.00 C ATOM 1614 O GLU A 105 5.033 -3.156 14.061 1.00 0.01 O ATOM 1615 CB GLU A 105 6.111 -5.218 16.359 1.00 0.00 C ATOM 1616 CG GLU A 105 5.867 -3.888 17.080 1.00 0.00 C ATOM 1617 CD GLU A 105 4.428 -3.840 17.600 1.00 0.01 C ATOM 1618 OE1 GLU A 105 3.813 -4.890 17.681 1.00 0.00 O ATOM 1619 OE2 GLU A 105 3.968 -2.754 17.911 1.00 0.01 O ATOM 0 H GLU A 105 6.115 -7.238 14.905 1.00 0.00 H new ATOM 0 HA GLU A 105 4.188 -5.172 15.385 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.888 -6.049 17.028 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.162 -5.304 16.084 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.567 -3.778 17.908 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.046 -3.056 16.399 1.00 0.00 H new ATOM 1626 N ALA A 106 6.660 -4.442 13.339 1.00 0.00 N ATOM 1627 CA ALA A 106 7.107 -3.403 12.369 1.00 0.00 C ATOM 1628 C ALA A 106 6.068 -3.240 11.257 1.00 0.00 C ATOM 1629 O ALA A 106 5.762 -2.140 10.850 1.00 0.00 O ATOM 1630 CB ALA A 106 8.443 -3.823 11.757 1.00 0.00 C ATOM 0 H ALA A 106 7.205 -5.304 13.336 1.00 0.00 H new ATOM 0 HA ALA A 106 7.222 -2.453 12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.772 -3.065 11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.187 -3.929 12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.323 -4.776 11.241 1.00 0.00 H new ATOM 1636 N GLN A 107 5.509 -4.315 10.770 1.00 0.00 N ATOM 1637 CA GLN A 107 4.482 -4.181 9.694 1.00 0.00 C ATOM 1638 C GLN A 107 3.319 -3.346 10.218 1.00 0.00 C ATOM 1639 O GLN A 107 2.780 -2.505 9.527 1.00 0.00 O ATOM 1640 CB GLN A 107 3.967 -5.562 9.285 1.00 0.00 C ATOM 1641 CG GLN A 107 2.917 -5.397 8.184 1.00 0.00 C ATOM 1642 CD GLN A 107 2.564 -6.766 7.601 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.220 -7.745 7.885 1.00 0.00 O ATOM 1644 NE2 GLN A 107 1.544 -6.878 6.795 1.00 0.00 N ATOM 0 H GLN A 107 5.715 -5.269 11.065 1.00 0.00 H new ATOM 0 HA GLN A 107 4.930 -3.697 8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.791 -6.181 8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.533 -6.072 10.145 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.023 -4.922 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.298 -4.744 7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.991 -6.055 6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.300 -7.788 6.405 1.00 0.00 H new ATOM 1653 N LYS A 108 2.934 -3.567 11.441 1.00 0.00 N ATOM 1654 CA LYS A 108 1.812 -2.787 12.024 1.00 0.00 C ATOM 1655 C LYS A 108 2.185 -1.307 12.005 1.00 0.00 C ATOM 1656 O LYS A 108 1.372 -0.454 11.709 1.00 0.00 O ATOM 1657 CB LYS A 108 1.581 -3.250 13.463 1.00 0.00 C ATOM 1658 CG LYS A 108 0.414 -2.480 14.081 1.00 0.00 C ATOM 1659 CD LYS A 108 0.200 -2.957 15.518 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.982 -2.209 16.133 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.203 -2.464 15.318 1.00 0.00 N ATOM 0 H LYS A 108 3.351 -4.258 12.065 1.00 0.00 H new ATOM 0 HA LYS A 108 0.900 -2.939 11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.371 -4.319 13.480 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.484 -3.093 14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.621 -1.410 14.068 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.491 -2.637 13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.012 -4.030 15.532 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.100 -2.784 16.108 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.141 -2.538 17.160 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.772 -1.140 16.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.049 -2.291 15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.210 -1.828 14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.203 -3.452 14.992 1.00 0.00 H new ATOM 1675 N LYS A 109 3.417 -0.994 12.304 1.00 0.01 N ATOM 1676 CA LYS A 109 3.838 0.432 12.284 1.00 0.00 C ATOM 1677 C LYS A 109 3.710 0.956 10.854 1.00 0.00 C ATOM 1678 O LYS A 109 3.279 2.069 10.627 1.00 0.00 O ATOM 1679 CB LYS A 109 5.295 0.547 12.750 1.00 0.00 C ATOM 1680 CG LYS A 109 5.419 0.128 14.226 1.00 0.00 C ATOM 1681 CD LYS A 109 4.759 1.173 15.143 1.00 0.01 C ATOM 1682 CE LYS A 109 5.284 1.007 16.572 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.326 -0.442 16.922 1.00 0.01 N ATOM 0 H LYS A 109 4.145 -1.661 12.560 1.00 0.01 H new ATOM 0 HA LYS A 109 3.207 1.017 12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.933 -0.084 12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.644 1.572 12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.948 -0.844 14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.470 0.016 14.491 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.974 2.178 14.780 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.676 1.054 15.127 1.00 0.01 H new ATOM 0 HE2 LYS A 109 6.280 1.442 16.657 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.642 1.542 17.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.585 -0.550 17.924 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.390 -0.866 16.758 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.032 -0.922 16.328 1.00 0.01 H new ATOM 1697 N ILE A 110 4.067 0.158 9.881 1.00 0.00 N ATOM 1698 CA ILE A 110 3.948 0.615 8.469 1.00 0.00 C ATOM 1699 C ILE A 110 2.463 0.725 8.105 1.00 0.00 C ATOM 1700 O ILE A 110 2.022 1.720 7.563 1.00 0.00 O ATOM 1701 CB ILE A 110 4.632 -0.397 7.542 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.124 -0.529 7.900 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.495 0.058 6.088 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.818 0.840 7.892 1.00 0.00 C ATOM 0 H ILE A 110 4.434 -0.786 10.005 1.00 0.00 H new ATOM 0 HA ILE A 110 4.429 1.587 8.354 1.00 0.00 H new ATOM 0 HB ILE A 110 4.150 -1.367 7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.226 -0.986 8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.615 -1.193 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.983 -0.664 5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.439 0.129 5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.966 1.034 5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.870 0.716 8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.736 1.284 6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.341 1.494 8.622 1.00 0.00 H new ATOM 1716 N PHE A 111 1.679 -0.277 8.413 1.00 0.00 N ATOM 1717 CA PHE A 111 0.224 -0.203 8.093 1.00 0.00 C ATOM 1718 C PHE A 111 -0.381 0.998 8.822 1.00 0.00 C ATOM 1719 O PHE A 111 -1.067 1.812 8.240 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.479 -1.514 8.529 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.719 -2.398 7.321 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.330 -2.667 6.439 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.995 -2.927 7.075 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.109 -3.461 5.309 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.216 -3.725 5.948 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.166 -3.992 5.064 1.00 0.00 C ATOM 0 H PHE A 111 1.982 -1.137 8.869 1.00 0.00 H new ATOM 0 HA PHE A 111 0.084 -0.081 7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.135 -2.041 9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.427 -1.284 9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.313 -2.262 6.630 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.807 -2.718 7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.920 -3.665 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.197 -4.135 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.337 -4.607 4.193 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.135 1.113 10.092 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.696 2.262 10.842 1.00 0.00 C ATOM 1738 C ASN A 112 -0.086 3.564 10.315 1.00 0.00 C ATOM 1739 O ASN A 112 -0.761 4.555 10.148 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.362 2.104 12.324 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.171 0.943 12.905 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.032 0.610 14.065 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.015 0.307 12.140 1.00 0.00 N ATOM 0 H ASN A 112 0.428 0.464 10.641 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.778 2.293 10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.705 1.918 12.450 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.590 3.025 12.860 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.558 -0.470 12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.131 0.587 11.166 1.00 0.00 H new ATOM 1750 N LEU A 113 1.194 3.573 10.065 1.00 0.00 N ATOM 1751 CA LEU A 113 1.847 4.819 9.571 1.00 0.00 C ATOM 1752 C LEU A 113 1.317 5.209 8.187 1.00 0.00 C ATOM 1753 O LEU A 113 0.876 6.321 7.976 1.00 0.00 O ATOM 1754 CB LEU A 113 3.363 4.595 9.496 1.00 0.00 C ATOM 1755 CG LEU A 113 4.054 5.803 8.840 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.659 7.096 9.567 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.572 5.617 8.924 1.00 0.00 C ATOM 0 H LEU A 113 1.816 2.773 10.181 1.00 0.00 H new ATOM 0 HA LEU A 113 1.619 5.630 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.764 4.439 10.498 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.575 3.692 8.924 1.00 0.00 H new ATOM 0 HG LEU A 113 3.743 5.873 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.154 7.945 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.579 7.229 9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.964 7.034 10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.069 6.469 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.873 5.545 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.856 4.704 8.402 1.00 0.00 H new ATOM 1769 N MET A 114 1.387 4.321 7.236 1.00 0.00 N ATOM 1770 CA MET A 114 0.922 4.667 5.863 1.00 0.00 C ATOM 1771 C MET A 114 -0.582 4.983 5.863 1.00 0.00 C ATOM 1772 O MET A 114 -1.032 5.899 5.205 1.00 0.00 O ATOM 1773 CB MET A 114 1.226 3.495 4.918 1.00 0.00 C ATOM 1774 CG MET A 114 0.292 2.311 5.201 1.00 0.00 C ATOM 1775 SD MET A 114 1.115 0.762 4.740 1.00 0.00 S ATOM 1776 CE MET A 114 1.294 1.097 2.976 1.00 0.00 C ATOM 0 H MET A 114 1.745 3.373 7.349 1.00 0.00 H new ATOM 0 HA MET A 114 1.450 5.556 5.518 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.109 3.817 3.883 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.263 3.183 5.040 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.023 2.291 6.257 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.635 2.423 4.638 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.552 0.175 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.355 1.486 2.582 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.084 1.833 2.824 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.366 4.240 6.591 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.836 4.509 6.613 1.00 0.00 C ATOM 1788 C GLU A 115 -3.132 5.879 7.240 1.00 0.00 C ATOM 1789 O GLU A 115 -4.005 6.599 6.808 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.545 3.419 7.421 1.00 0.00 C ATOM 1791 CG GLU A 115 -5.059 3.640 7.359 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.770 2.519 8.116 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -5.108 1.562 8.478 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.968 2.637 8.319 1.00 0.01 O ATOM 0 H GLU A 115 -1.057 3.460 7.171 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.201 4.509 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.294 2.436 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.206 3.441 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.314 4.606 7.795 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.392 3.660 6.321 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.443 6.241 8.272 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.732 7.550 8.921 1.00 0.00 C ATOM 1803 C LYS A 116 -2.316 8.723 8.025 1.00 0.01 C ATOM 1804 O LYS A 116 -2.995 9.728 7.969 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.987 7.621 10.250 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.632 6.643 11.234 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.830 6.615 12.533 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.449 5.594 13.486 1.00 0.00 C ATOM 1809 NZ LYS A 116 -3.897 5.900 13.668 1.00 0.00 N ATOM 0 H LYS A 116 -1.694 5.695 8.698 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.806 7.626 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.936 7.372 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.023 8.635 10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.660 6.942 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.670 5.645 10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.792 6.355 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.826 7.603 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.326 4.587 13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.937 5.621 14.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.244 5.436 14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.027 6.928 13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.432 5.550 12.848 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.199 8.626 7.347 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.737 9.768 6.488 1.00 0.00 C ATOM 1825 C ASP A 117 -1.003 9.518 4.994 1.00 0.00 C ATOM 1826 O ASP A 117 -1.190 10.448 4.242 1.00 0.00 O ATOM 1827 CB ASP A 117 0.764 9.959 6.692 1.00 0.00 C ATOM 1828 CG ASP A 117 1.498 8.719 6.189 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.851 7.697 6.047 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.691 8.812 5.952 1.00 0.00 O ATOM 0 H ASP A 117 -0.587 7.810 7.349 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.296 10.656 6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.107 10.843 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.982 10.123 7.747 1.00 0.00 H new ATOM 1835 N SER A 118 -0.982 8.293 4.530 1.00 0.00 N ATOM 1836 CA SER A 118 -1.200 8.070 3.061 1.00 0.00 C ATOM 1837 C SER A 118 -2.690 7.988 2.708 1.00 0.00 C ATOM 1838 O SER A 118 -3.131 8.592 1.758 1.00 0.01 O ATOM 1839 CB SER A 118 -0.523 6.771 2.614 1.00 0.00 C ATOM 1840 OG SER A 118 -1.358 5.666 2.931 1.00 0.00 O ATOM 0 H SER A 118 -0.827 7.453 5.087 1.00 0.00 H new ATOM 0 HA SER A 118 -0.764 8.924 2.544 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.331 6.799 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.443 6.664 3.108 1.00 0.00 H new ATOM 0 HG SER A 118 -1.555 5.670 3.891 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.463 7.221 3.432 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.915 7.077 3.078 1.00 0.00 C ATOM 1848 C TYR A 119 -5.613 8.445 2.994 1.00 0.01 C ATOM 1849 O TYR A 119 -6.292 8.731 2.028 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.612 6.174 4.126 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.086 4.882 3.496 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.201 4.113 2.731 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.407 4.460 3.673 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.638 2.924 2.142 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.843 3.270 3.085 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.957 2.503 2.319 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.388 1.334 1.731 1.00 0.00 O ATOM 0 H TYR A 119 -3.159 6.690 4.248 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.988 6.615 2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.921 5.954 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.460 6.703 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.180 4.439 2.596 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -8.090 5.053 4.264 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.956 2.331 1.550 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.863 2.942 3.221 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.359 1.370 1.604 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.474 9.288 3.974 1.00 0.00 N ATOM 1868 CA ARG A 120 -6.163 10.608 3.884 1.00 0.01 C ATOM 1869 C ARG A 120 -5.643 11.330 2.646 1.00 0.00 C ATOM 1870 O ARG A 120 -6.388 11.931 1.898 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.839 11.440 5.123 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.531 10.831 6.340 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.208 11.666 7.581 1.00 0.00 C ATOM 1874 NE ARG A 120 -6.489 10.859 8.812 1.00 0.01 N ATOM 1875 CZ ARG A 120 -7.658 10.315 9.017 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -8.677 10.627 8.266 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -7.821 9.495 10.018 1.00 0.01 N ATOM 0 H ARG A 120 -4.925 9.129 4.819 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.242 10.466 3.821 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.761 11.471 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.170 12.469 4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.609 10.799 6.181 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -6.199 9.803 6.484 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -5.162 11.972 7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.807 12.577 7.586 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.751 10.732 9.505 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -8.565 11.302 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.586 10.196 8.435 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.038 9.282 10.635 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -8.732 9.067 10.183 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.368 11.247 2.419 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.773 11.891 1.224 1.00 0.01 C ATOM 1893 C ARG A 121 -4.219 11.119 -0.020 1.00 0.01 C ATOM 1894 O ARG A 121 -4.494 11.698 -1.050 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.246 11.880 1.355 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.780 13.017 2.285 1.00 0.00 C ATOM 1897 CD ARG A 121 -2.650 13.080 3.553 1.00 0.00 C ATOM 1898 NE ARG A 121 -1.989 13.935 4.575 1.00 0.01 N ATOM 1899 CZ ARG A 121 -2.686 14.402 5.576 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -3.961 14.142 5.661 1.00 0.00 N ATOM 1901 NH2 ARG A 121 -2.108 15.132 6.490 1.00 0.01 N ATOM 0 H ARG A 121 -3.705 10.755 3.018 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.105 12.926 1.138 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.915 10.919 1.750 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.789 11.995 0.372 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -0.737 12.862 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.831 13.969 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.634 13.482 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.804 12.077 3.950 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.996 14.156 4.495 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -4.414 13.574 4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.505 14.507 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.111 15.338 6.423 1.00 0.01 H new ATOM 0 HH22 ARG A 121 -2.653 15.496 7.271 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.299 9.816 0.067 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.733 9.027 -1.114 1.00 0.01 C ATOM 1917 C PHE A 122 -6.138 9.475 -1.512 1.00 0.01 C ATOM 1918 O PHE A 122 -6.429 9.674 -2.668 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.735 7.522 -0.769 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.220 6.746 -1.948 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.848 6.702 -2.168 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.098 6.092 -2.817 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.339 6.003 -3.261 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.591 5.387 -3.914 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.209 5.343 -4.136 1.00 0.00 C ATOM 0 H PHE A 122 -4.083 9.271 0.902 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.045 9.191 -1.943 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.111 7.336 0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.744 7.196 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.176 7.210 -1.492 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.163 6.131 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.273 5.971 -3.433 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.264 4.878 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.815 4.800 -4.982 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.006 9.647 -0.561 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.379 10.096 -0.894 1.00 0.00 C ATOM 1937 C LEU A 123 -8.282 11.456 -1.588 1.00 0.01 C ATOM 1938 O LEU A 123 -9.021 11.757 -2.504 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.211 10.218 0.389 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.424 8.829 1.013 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.150 8.984 2.355 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.259 7.938 0.067 1.00 0.01 C ATOM 0 H LEU A 123 -6.824 9.496 0.431 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.864 9.375 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.705 10.871 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.174 10.677 0.165 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.455 8.356 1.172 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.303 8.001 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.548 9.597 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.115 9.464 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.402 6.958 0.522 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.230 8.402 -0.107 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.736 7.825 -0.882 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.370 12.282 -1.145 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.196 13.638 -1.752 1.00 0.01 C ATOM 1956 C LYS A 124 -5.998 13.645 -2.715 1.00 0.01 C ATOM 1957 O LYS A 124 -5.517 14.689 -3.107 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.938 14.643 -0.630 1.00 0.01 C ATOM 1959 CG LYS A 124 -8.182 14.752 0.251 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.921 15.756 1.374 1.00 0.01 C ATOM 1961 CE LYS A 124 -9.166 15.875 2.254 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.808 16.568 3.524 1.00 0.01 N ATOM 0 H LYS A 124 -6.730 12.073 -0.379 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.096 13.902 -2.307 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -6.083 14.326 -0.033 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.690 15.618 -1.050 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -9.037 15.071 -0.345 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.431 13.777 0.670 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -7.069 15.434 1.973 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.666 16.729 0.954 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.944 16.431 1.730 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.570 14.885 2.468 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.653 16.650 4.125 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.079 16.020 4.025 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.442 17.517 3.310 1.00 0.01 H new ATOM 1976 N SER A 125 -5.498 12.495 -3.085 1.00 0.00 N ATOM 1977 CA SER A 125 -4.318 12.452 -4.004 1.00 0.01 C ATOM 1978 C SER A 125 -4.733 12.806 -5.434 1.00 0.01 C ATOM 1979 O SER A 125 -5.827 12.505 -5.867 1.00 0.01 O ATOM 1980 CB SER A 125 -3.722 11.048 -3.993 1.00 0.01 C ATOM 1981 OG SER A 125 -2.959 10.852 -5.176 1.00 0.01 O ATOM 0 H SER A 125 -5.853 11.585 -2.792 1.00 0.00 H new ATOM 0 HA SER A 125 -3.582 13.179 -3.660 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.092 10.915 -3.114 1.00 0.01 H new ATOM 0 HB3 SER A 125 -4.516 10.304 -3.931 1.00 0.01 H new ATOM 0 HG SER A 125 -2.134 10.371 -4.957 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.857 13.431 -6.178 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.198 13.791 -7.583 1.00 0.01 C ATOM 1989 C ARG A 126 -4.509 12.509 -8.356 1.00 0.00 C ATOM 1990 O ARG A 126 -5.457 12.441 -9.112 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.004 14.493 -8.246 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.853 15.930 -7.718 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.210 15.936 -6.324 1.00 0.01 C ATOM 1994 NE ARG A 126 -0.948 15.139 -6.338 1.00 0.00 N ATOM 1995 CZ ARG A 126 -0.103 15.244 -5.351 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.353 16.057 -4.360 1.00 0.01 N ATOM 1997 NH2 ARG A 126 0.995 14.538 -5.355 1.00 0.01 N ATOM 0 H ARG A 126 -2.923 13.706 -5.873 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.059 14.459 -7.589 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.091 13.931 -8.050 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.141 14.511 -9.327 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -2.242 16.513 -8.407 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -3.830 16.410 -7.674 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.999 16.960 -6.017 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.904 15.520 -5.593 1.00 0.01 H new ATOM 0 HE ARG A 126 -0.747 14.513 -7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.210 16.610 -4.358 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.309 16.139 -3.588 1.00 0.01 H new ATOM 0 HH21 ARG A 126 1.191 13.905 -6.130 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.657 14.620 -4.583 1.00 0.01 H new ATOM 2011 N PHE A 127 -3.719 11.487 -8.164 1.00 0.01 N ATOM 2012 CA PHE A 127 -3.977 10.209 -8.882 1.00 0.01 C ATOM 2013 C PHE A 127 -5.361 9.707 -8.494 1.00 0.01 C ATOM 2014 O PHE A 127 -6.192 9.418 -9.329 1.00 0.00 O ATOM 2015 CB PHE A 127 -2.940 9.171 -8.447 1.00 0.01 C ATOM 2016 CG PHE A 127 -1.578 9.559 -8.959 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -0.746 10.372 -8.182 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -1.141 9.096 -10.206 1.00 0.01 C ATOM 2019 CE1 PHE A 127 0.524 10.724 -8.650 1.00 0.00 C ATOM 2020 CE2 PHE A 127 0.129 9.448 -10.675 1.00 0.01 C ATOM 2021 CZ PHE A 127 0.962 10.262 -9.897 1.00 0.00 C ATOM 0 H PHE A 127 -2.910 11.483 -7.543 1.00 0.01 H new ATOM 0 HA PHE A 127 -3.916 10.366 -9.959 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -2.921 9.097 -7.360 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.215 8.188 -8.829 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.085 10.728 -7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.784 8.468 -10.805 1.00 0.01 H new ATOM 0 HE1 PHE A 127 1.166 11.352 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.467 9.092 -11.637 1.00 0.01 H new ATOM 0 HZ PHE A 127 1.943 10.533 -10.259 1.00 0.00 H new ATOM 2031 N TYR A 128 -5.608 9.610 -7.221 1.00 0.01 N ATOM 2032 CA TYR A 128 -6.930 9.133 -6.742 1.00 0.01 C ATOM 2033 C TYR A 128 -8.027 10.065 -7.249 1.00 0.01 C ATOM 2034 O TYR A 128 -9.026 9.636 -7.790 1.00 0.00 O ATOM 2035 CB TYR A 128 -6.930 9.133 -5.219 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.240 8.583 -4.714 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.318 9.443 -4.478 1.00 0.00 C ATOM 2038 CD2 TYR A 128 -8.374 7.210 -4.479 1.00 0.01 C ATOM 2039 CE1 TYR A 128 -10.533 8.928 -4.007 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -9.589 6.696 -4.011 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.667 7.554 -3.774 1.00 0.01 C ATOM 2042 OH TYR A 128 -11.863 7.047 -3.312 1.00 0.01 O ATOM 0 H TYR A 128 -4.943 9.844 -6.484 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.115 8.126 -7.115 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.102 8.530 -4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -6.781 10.146 -4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.214 10.503 -4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.540 6.547 -4.659 1.00 0.01 H new ATOM 0 HE1 TYR A 128 -11.366 9.591 -3.824 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -9.694 5.636 -3.833 1.00 0.01 H new ATOM 0 HH TYR A 128 -11.787 6.076 -3.205 1.00 0.01 H new ATOM 2052 N LEU A 129 -7.847 11.342 -7.065 1.00 0.01 N ATOM 2053 CA LEU A 129 -8.877 12.316 -7.520 1.00 0.01 C ATOM 2054 C LEU A 129 -9.065 12.183 -9.033 1.00 0.01 C ATOM 2055 O LEU A 129 -10.171 12.229 -9.532 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.410 13.734 -7.178 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.451 13.949 -5.655 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -7.695 15.235 -5.312 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -9.906 14.062 -5.159 1.00 0.01 C ATOM 0 H LEU A 129 -7.028 11.755 -6.618 1.00 0.01 H new ATOM 0 HA LEU A 129 -9.825 12.116 -7.021 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.397 13.891 -7.549 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.048 14.465 -7.674 1.00 0.01 H new ATOM 0 HG LEU A 129 -7.984 13.095 -5.165 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.719 15.395 -4.234 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -6.660 15.148 -5.643 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.167 16.079 -5.815 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -9.912 14.214 -4.080 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.392 14.907 -5.647 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.445 13.145 -5.399 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.002 11.997 -9.770 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.153 11.839 -11.242 1.00 0.91 C ATOM 2073 C ASP A 130 -9.035 10.622 -11.504 1.00 1.05 C ATOM 2074 O ASP A 130 -9.936 10.653 -12.318 1.00 1.91 O ATOM 2075 CB ASP A 130 -6.780 11.625 -11.879 1.00 2.23 C ATOM 2076 CG ASP A 130 -5.973 12.923 -11.805 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -6.585 13.976 -11.783 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -4.756 12.839 -11.772 1.00 3.77 O ATOM 0 H ASP A 130 -7.046 11.948 -9.419 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.606 12.732 -11.672 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.249 10.825 -11.363 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -6.894 11.314 -12.918 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.796 9.553 -10.793 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.630 8.336 -10.970 1.00 1.68 C ATOM 2085 C LEU A 131 -11.023 8.625 -10.414 1.00 2.00 C ATOM 2086 O LEU A 131 -12.024 8.228 -10.976 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.000 7.165 -10.210 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.608 6.862 -10.781 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.934 5.780 -9.930 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.725 6.380 -12.239 1.00 3.54 C ATOM 0 H LEU A 131 -8.056 9.473 -10.096 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.695 8.073 -12.026 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.923 7.407 -9.150 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.636 6.283 -10.291 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.007 7.771 -10.759 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.945 5.563 -10.334 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.837 6.132 -8.903 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.540 4.874 -9.947 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.731 6.168 -12.633 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -8.330 5.474 -12.275 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.197 7.156 -12.842 1.00 3.54 H new ATOM 2102 N THR A 132 -11.088 9.328 -9.312 1.00 2.68 N ATOM 2103 CA THR A 132 -12.405 9.672 -8.698 1.00 3.30 C ATOM 2104 C THR A 132 -12.727 11.133 -9.003 1.00 3.72 C ATOM 2105 O THR A 132 -12.705 11.980 -8.131 1.00 3.94 O ATOM 2106 CB THR A 132 -12.329 9.479 -7.181 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.103 10.012 -6.699 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.406 7.991 -6.850 1.00 4.63 C ATOM 0 H THR A 132 -10.276 9.682 -8.807 1.00 2.68 H new ATOM 0 HA THR A 132 -13.181 9.025 -9.107 1.00 3.30 H new ATOM 0 HB THR A 132 -13.162 9.997 -6.706 1.00 3.80 H new ATOM 0 HG1 THR A 132 -10.673 9.360 -6.107 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.352 7.855 -5.770 1.00 4.63 H new ATOM 0 HG22 THR A 132 -13.347 7.584 -7.220 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.574 7.469 -7.323 1.00 4.63 H new