USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 942 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 36 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= -0.0492 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00353) USER MOD Single : A 15 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 1.34 K(o=1.3,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.26 K(o=-3.3,f=-5.5!) USER MOD Single : A 23 GLN : amide:sc= -3.85! C(o=-3.8!,f=-7.3!) USER MOD Single : A 24 GLN : amide:sc= -5.03! C(o=-5!,f=-8.8!) USER MOD Single : A 25 THR OG1 : rot -92:sc= 0.295 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.0168 (180deg=-0.229) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -13:sc= 0.281 USER MOD Single : A 88 THR OG1 : rot 150:sc= -0.19 USER MOD Single : A 89 SER OG : rot 6:sc= 0.25 USER MOD Single : A 95 THR OG1 : rot -39:sc= 0.699 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 114 GLN : amide:sc= -0.574 K(o=-0.57,f=-3!) USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0.0044 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.836 9.540 4.128 1.00 0.00 N ATOM 2 CA GLY A 1 -16.635 8.974 5.199 1.00 0.00 C ATOM 3 C GLY A 1 -15.956 9.085 6.550 1.00 0.00 C ATOM 4 O GLY A 1 -15.166 8.220 6.929 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.344 9.439 3.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.664 10.548 4.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.927 9.039 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.598 9.483 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.837 7.925 4.982 1.00 0.00 H new ATOM 8 N SER A 2 -16.262 10.154 7.278 1.00 0.00 N ATOM 9 CA SER A 2 -15.672 10.379 8.592 1.00 0.00 C ATOM 10 C SER A 2 -16.732 10.295 9.686 1.00 0.00 C ATOM 11 O SER A 2 -17.256 11.313 10.137 1.00 0.00 O ATOM 12 CB SER A 2 -14.982 11.744 8.639 1.00 0.00 C ATOM 13 OG SER A 2 -13.852 11.773 7.784 1.00 0.00 O ATOM 0 H SER A 2 -16.915 10.878 6.980 1.00 0.00 H new ATOM 0 HA SER A 2 -14.931 9.599 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.686 12.522 8.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.675 11.965 9.661 1.00 0.00 H new ATOM 0 HG SER A 2 -13.429 12.656 7.830 1.00 0.00 H new ATOM 19 N SER A 3 -17.043 9.073 10.107 1.00 0.00 N ATOM 20 CA SER A 3 -18.044 8.855 11.145 1.00 0.00 C ATOM 21 C SER A 3 -17.474 8.007 12.279 1.00 0.00 C ATOM 22 O SER A 3 -16.579 7.190 12.069 1.00 0.00 O ATOM 23 CB SER A 3 -19.280 8.173 10.556 1.00 0.00 C ATOM 24 OG SER A 3 -18.954 6.905 10.013 1.00 0.00 O ATOM 0 H SER A 3 -16.617 8.220 9.746 1.00 0.00 H new ATOM 0 HA SER A 3 -18.331 9.826 11.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.038 8.056 11.330 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.712 8.804 9.779 1.00 0.00 H new ATOM 0 HG SER A 3 -19.762 6.489 9.645 1.00 0.00 H new ATOM 30 N GLY A 4 -18.000 8.210 13.483 1.00 0.00 N ATOM 31 CA GLY A 4 -17.533 7.458 14.633 1.00 0.00 C ATOM 32 C GLY A 4 -18.668 6.999 15.526 1.00 0.00 C ATOM 33 O GLY A 4 -19.127 7.745 16.392 1.00 0.00 O ATOM 0 H GLY A 4 -18.741 8.882 13.683 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.970 6.590 14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.846 8.075 15.212 1.00 0.00 H new ATOM 37 N SER A 5 -19.124 5.769 15.316 1.00 0.00 N ATOM 38 CA SER A 5 -20.217 5.213 16.105 1.00 0.00 C ATOM 39 C SER A 5 -19.792 5.013 17.557 1.00 0.00 C ATOM 40 O SER A 5 -20.456 5.485 18.480 1.00 0.00 O ATOM 41 CB SER A 5 -20.679 3.882 15.510 1.00 0.00 C ATOM 42 OG SER A 5 -21.586 4.089 14.440 1.00 0.00 O ATOM 0 H SER A 5 -18.753 5.138 14.606 1.00 0.00 H new ATOM 0 HA SER A 5 -21.046 5.921 16.081 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.815 3.319 15.155 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.156 3.280 16.284 1.00 0.00 H new ATOM 0 HG SER A 5 -21.865 3.223 14.076 1.00 0.00 H new ATOM 48 N SER A 6 -18.680 4.311 17.750 1.00 0.00 N ATOM 49 CA SER A 6 -18.167 4.045 19.089 1.00 0.00 C ATOM 50 C SER A 6 -17.394 5.247 19.623 1.00 0.00 C ATOM 51 O SER A 6 -17.739 5.810 20.661 1.00 0.00 O ATOM 52 CB SER A 6 -17.266 2.809 19.076 1.00 0.00 C ATOM 53 OG SER A 6 -18.032 1.618 19.133 1.00 0.00 O ATOM 0 H SER A 6 -18.117 3.916 16.996 1.00 0.00 H new ATOM 0 HA SER A 6 -19.016 3.860 19.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.656 2.810 18.173 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.581 2.845 19.923 1.00 0.00 H new ATOM 0 HG SER A 6 -17.433 0.843 19.122 1.00 0.00 H new ATOM 59 N GLY A 7 -16.344 5.634 18.905 1.00 0.00 N ATOM 60 CA GLY A 7 -15.537 6.766 19.321 1.00 0.00 C ATOM 61 C GLY A 7 -14.051 6.505 19.173 1.00 0.00 C ATOM 62 O GLY A 7 -13.397 6.052 20.112 1.00 0.00 O ATOM 0 H GLY A 7 -16.038 5.184 18.043 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.810 7.640 18.729 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.759 7.004 20.361 1.00 0.00 H new ATOM 66 N MET A 8 -13.517 6.789 17.990 1.00 0.00 N ATOM 67 CA MET A 8 -12.098 6.581 17.722 1.00 0.00 C ATOM 68 C MET A 8 -11.247 7.079 18.886 1.00 0.00 C ATOM 69 O MET A 8 -11.557 8.097 19.504 1.00 0.00 O ATOM 70 CB MET A 8 -11.690 7.298 16.434 1.00 0.00 C ATOM 71 CG MET A 8 -12.487 6.859 15.216 1.00 0.00 C ATOM 72 SD MET A 8 -11.692 7.316 13.664 1.00 0.00 S ATOM 73 CE MET A 8 -12.647 6.349 12.497 1.00 0.00 C ATOM 0 H MET A 8 -14.045 7.164 17.202 1.00 0.00 H new ATOM 0 HA MET A 8 -11.929 5.511 17.603 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.813 8.372 16.571 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.631 7.120 16.249 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.622 5.778 15.246 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.480 7.306 15.256 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.274 6.525 11.488 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.554 5.290 12.739 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.695 6.643 12.553 1.00 0.00 H new ATOM 83 N GLY A 9 -10.172 6.354 19.180 1.00 0.00 N ATOM 84 CA GLY A 9 -9.293 6.738 20.269 1.00 0.00 C ATOM 85 C GLY A 9 -7.847 6.369 20.005 1.00 0.00 C ATOM 86 O GLY A 9 -6.966 7.229 20.027 1.00 0.00 O ATOM 0 H GLY A 9 -9.894 5.507 18.683 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.367 7.814 20.429 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.626 6.255 21.188 1.00 0.00 H new ATOM 90 N ASP A 10 -7.601 5.087 19.757 1.00 0.00 N ATOM 91 CA ASP A 10 -6.251 4.606 19.489 1.00 0.00 C ATOM 92 C ASP A 10 -5.569 5.465 18.429 1.00 0.00 C ATOM 93 O ASP A 10 -4.560 6.115 18.698 1.00 0.00 O ATOM 94 CB ASP A 10 -6.289 3.146 19.034 1.00 0.00 C ATOM 95 CG ASP A 10 -7.143 2.279 19.938 1.00 0.00 C ATOM 96 OD1 ASP A 10 -6.710 2.002 21.075 1.00 0.00 O ATOM 97 OD2 ASP A 10 -8.245 1.878 19.507 1.00 0.00 O ATOM 0 H ASP A 10 -8.319 4.363 19.736 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.676 4.676 20.412 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.676 3.096 18.016 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.274 2.750 19.009 1.00 0.00 H new ATOM 102 N GLY A 11 -6.126 5.460 17.222 1.00 0.00 N ATOM 103 CA GLY A 11 -5.557 6.242 16.139 1.00 0.00 C ATOM 104 C GLY A 11 -5.843 5.640 14.778 1.00 0.00 C ATOM 105 O GLY A 11 -6.521 6.251 13.952 1.00 0.00 O ATOM 0 H GLY A 11 -6.961 4.929 16.974 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.958 7.255 16.177 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.479 6.321 16.279 1.00 0.00 H new ATOM 109 N ALA A 12 -5.325 4.439 14.542 1.00 0.00 N ATOM 110 CA ALA A 12 -5.528 3.755 13.271 1.00 0.00 C ATOM 111 C ALA A 12 -7.013 3.559 12.985 1.00 0.00 C ATOM 112 O ALA A 12 -7.736 2.964 13.785 1.00 0.00 O ATOM 113 CB ALA A 12 -4.807 2.415 13.272 1.00 0.00 C ATOM 0 H ALA A 12 -4.761 3.920 15.215 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.111 4.378 12.480 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.967 1.915 12.317 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.740 2.576 13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.197 1.793 14.077 1.00 0.00 H new ATOM 119 N VAL A 13 -7.462 4.062 11.840 1.00 0.00 N ATOM 120 CA VAL A 13 -8.862 3.942 11.449 1.00 0.00 C ATOM 121 C VAL A 13 -9.366 2.516 11.644 1.00 0.00 C ATOM 122 O VAL A 13 -10.388 2.290 12.292 1.00 0.00 O ATOM 123 CB VAL A 13 -9.071 4.352 9.979 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.523 4.155 9.570 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.639 5.795 9.762 1.00 0.00 C ATOM 0 H VAL A 13 -6.877 4.557 11.167 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.429 4.616 12.091 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.452 3.712 9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.651 4.450 8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.794 3.106 9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.165 4.768 10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.793 6.068 8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.230 6.452 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.583 5.900 10.012 1.00 0.00 H new ATOM 135 N LYS A 14 -8.642 1.556 11.078 1.00 0.00 N ATOM 136 CA LYS A 14 -9.014 0.151 11.190 1.00 0.00 C ATOM 137 C LYS A 14 -7.808 -0.702 11.569 1.00 0.00 C ATOM 138 O LYS A 14 -6.753 -0.614 10.941 1.00 0.00 O ATOM 139 CB LYS A 14 -9.610 -0.347 9.871 1.00 0.00 C ATOM 140 CG LYS A 14 -9.960 -1.825 9.881 1.00 0.00 C ATOM 141 CD LYS A 14 -10.406 -2.302 8.509 1.00 0.00 C ATOM 142 CE LYS A 14 -10.427 -3.821 8.427 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.399 -4.415 9.385 1.00 0.00 N ATOM 0 H LYS A 14 -7.794 1.726 10.537 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.763 0.061 11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.508 0.229 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.900 -0.156 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.094 -2.403 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.753 -2.007 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.400 -1.911 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.734 -1.905 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.684 -4.126 7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.430 -4.210 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.408 -5.449 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.120 -4.173 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.349 -4.038 9.194 1.00 0.00 H new ATOM 157 N GLN A 15 -7.972 -1.528 12.597 1.00 0.00 N ATOM 158 CA GLN A 15 -6.896 -2.397 13.058 1.00 0.00 C ATOM 159 C GLN A 15 -7.196 -3.856 12.730 1.00 0.00 C ATOM 160 O GLN A 15 -8.326 -4.318 12.887 1.00 0.00 O ATOM 161 CB GLN A 15 -6.689 -2.233 14.565 1.00 0.00 C ATOM 162 CG GLN A 15 -5.973 -0.947 14.944 1.00 0.00 C ATOM 163 CD GLN A 15 -6.247 -0.526 16.374 1.00 0.00 C ATOM 164 OE1 GLN A 15 -7.298 -0.840 16.935 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.302 0.189 16.973 1.00 0.00 N ATOM 0 H GLN A 15 -8.840 -1.614 13.126 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.982 -2.107 12.539 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.659 -2.259 15.062 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.117 -3.082 14.939 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.900 -1.080 14.808 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.284 -0.150 14.269 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.447 0.427 16.471 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.431 0.501 17.936 1.00 0.00 H new ATOM 174 N GLY A 16 -6.177 -4.577 12.273 1.00 0.00 N ATOM 175 CA GLY A 16 -6.352 -5.976 11.930 1.00 0.00 C ATOM 176 C GLY A 16 -5.033 -6.704 11.767 1.00 0.00 C ATOM 177 O GLY A 16 -4.009 -6.275 12.301 1.00 0.00 O ATOM 0 H GLY A 16 -5.233 -4.217 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.940 -6.466 12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.921 -6.051 11.004 1.00 0.00 H new ATOM 181 N PHE A 17 -5.055 -7.809 11.030 1.00 0.00 N ATOM 182 CA PHE A 17 -3.851 -8.599 10.800 1.00 0.00 C ATOM 183 C PHE A 17 -3.802 -9.111 9.364 1.00 0.00 C ATOM 184 O PHE A 17 -4.729 -9.775 8.897 1.00 0.00 O ATOM 185 CB PHE A 17 -3.795 -9.777 11.776 1.00 0.00 C ATOM 186 CG PHE A 17 -3.878 -9.365 13.218 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.820 -8.711 13.828 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.015 -9.633 13.964 1.00 0.00 C ATOM 189 CE1 PHE A 17 -2.893 -8.331 15.155 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.094 -9.254 15.291 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.032 -8.604 15.887 1.00 0.00 C ATOM 0 H PHE A 17 -5.893 -8.178 10.582 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.987 -7.956 10.967 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.614 -10.461 11.554 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.868 -10.327 11.616 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.927 -8.495 13.260 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.848 -10.143 13.504 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.061 -7.822 15.619 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.986 -9.466 15.861 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.092 -8.309 16.924 1.00 0.00 H new ATOM 201 N LEU A 18 -2.715 -8.798 8.667 1.00 0.00 N ATOM 202 CA LEU A 18 -2.544 -9.225 7.283 1.00 0.00 C ATOM 203 C LEU A 18 -1.372 -10.193 7.153 1.00 0.00 C ATOM 204 O LEU A 18 -0.308 -9.977 7.733 1.00 0.00 O ATOM 205 CB LEU A 18 -2.322 -8.012 6.378 1.00 0.00 C ATOM 206 CG LEU A 18 -3.475 -7.011 6.302 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.036 -5.745 5.583 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.676 -7.633 5.605 1.00 0.00 C ATOM 0 H LEU A 18 -1.939 -8.250 9.038 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.453 -9.740 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.432 -7.485 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.111 -8.370 5.370 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.767 -6.745 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.870 -5.044 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.207 -5.289 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.716 -5.994 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.487 -6.906 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.397 -7.929 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.005 -8.510 6.161 1.00 0.00 H new ATOM 220 N TYR A 19 -1.574 -11.258 6.386 1.00 0.00 N ATOM 221 CA TYR A 19 -0.535 -12.260 6.179 1.00 0.00 C ATOM 222 C TYR A 19 0.139 -12.073 4.823 1.00 0.00 C ATOM 223 O TYR A 19 -0.516 -11.757 3.829 1.00 0.00 O ATOM 224 CB TYR A 19 -1.126 -13.667 6.278 1.00 0.00 C ATOM 225 CG TYR A 19 -2.149 -13.818 7.381 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.766 -13.811 8.717 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.499 -13.967 7.088 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.697 -13.949 9.728 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.437 -14.104 8.093 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.031 -14.095 9.411 1.00 0.00 C ATOM 231 OH TYR A 19 -4.962 -14.232 10.415 1.00 0.00 O ATOM 0 H TYR A 19 -2.448 -11.450 5.897 1.00 0.00 H new ATOM 0 HA TYR A 19 0.216 -12.134 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.590 -13.925 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.319 -14.380 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.722 -13.696 8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.821 -13.976 6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.382 -13.943 10.761 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.483 -14.218 7.848 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.855 -14.323 10.023 1.00 0.00 H new ATOM 241 N LEU A 20 1.452 -12.272 4.791 1.00 0.00 N ATOM 242 CA LEU A 20 2.218 -12.127 3.557 1.00 0.00 C ATOM 243 C LEU A 20 2.960 -13.416 3.222 1.00 0.00 C ATOM 244 O LEU A 20 3.508 -14.075 4.105 1.00 0.00 O ATOM 245 CB LEU A 20 3.212 -10.971 3.684 1.00 0.00 C ATOM 246 CG LEU A 20 4.267 -10.870 2.582 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.606 -10.694 1.224 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.225 -9.721 2.864 1.00 0.00 C ATOM 0 H LEU A 20 2.009 -12.534 5.605 1.00 0.00 H new ATOM 0 HA LEU A 20 1.520 -11.911 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.651 -10.037 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.724 -11.062 4.642 1.00 0.00 H new ATOM 0 HG LEU A 20 4.839 -11.798 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.373 -10.624 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.962 -11.549 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.009 -9.782 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.969 -9.664 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.668 -8.785 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.725 -9.890 3.818 1.00 0.00 H new ATOM 260 N GLN A 21 2.974 -13.769 1.941 1.00 0.00 N ATOM 261 CA GLN A 21 3.650 -14.979 1.489 1.00 0.00 C ATOM 262 C GLN A 21 5.043 -14.658 0.957 1.00 0.00 C ATOM 263 O GLN A 21 5.195 -13.853 0.039 1.00 0.00 O ATOM 264 CB GLN A 21 2.825 -15.676 0.406 1.00 0.00 C ATOM 265 CG GLN A 21 3.124 -17.161 0.274 1.00 0.00 C ATOM 266 CD GLN A 21 2.470 -17.782 -0.944 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.138 -18.096 -1.930 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.156 -17.964 -0.883 1.00 0.00 N ATOM 0 H GLN A 21 2.525 -13.234 1.198 1.00 0.00 H new ATOM 0 HA GLN A 21 3.753 -15.648 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.766 -15.546 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.013 -15.190 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.203 -17.307 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.780 -17.678 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.641 -17.689 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.661 -18.379 -1.673 1.00 0.00 H new ATOM 277 N GLN A 22 6.055 -15.294 1.539 1.00 0.00 N ATOM 278 CA GLN A 22 7.435 -15.074 1.123 1.00 0.00 C ATOM 279 C GLN A 22 8.010 -16.324 0.465 1.00 0.00 C ATOM 280 O GLN A 22 7.883 -17.428 0.993 1.00 0.00 O ATOM 281 CB GLN A 22 8.294 -14.673 2.323 1.00 0.00 C ATOM 282 CG GLN A 22 7.753 -13.475 3.086 1.00 0.00 C ATOM 283 CD GLN A 22 6.589 -13.834 3.988 1.00 0.00 C ATOM 284 OE1 GLN A 22 6.274 -15.009 4.177 1.00 0.00 O ATOM 285 NE2 GLN A 22 5.941 -12.820 4.551 1.00 0.00 N ATOM 0 H GLN A 22 5.945 -15.965 2.299 1.00 0.00 H new ATOM 0 HA GLN A 22 7.444 -14.264 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.372 -15.521 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.303 -14.448 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.552 -13.041 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.436 -12.711 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.236 -11.861 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.149 -13.000 5.167 1.00 0.00 H new ATOM 294 N GLN A 23 8.643 -16.141 -0.689 1.00 0.00 N ATOM 295 CA GLN A 23 9.237 -17.255 -1.419 1.00 0.00 C ATOM 296 C GLN A 23 10.676 -16.941 -1.815 1.00 0.00 C ATOM 297 O GLN A 23 11.586 -17.728 -1.557 1.00 0.00 O ATOM 298 CB GLN A 23 8.410 -17.574 -2.666 1.00 0.00 C ATOM 299 CG GLN A 23 7.909 -16.339 -3.396 1.00 0.00 C ATOM 300 CD GLN A 23 8.872 -15.861 -4.465 1.00 0.00 C ATOM 301 OE1 GLN A 23 9.917 -16.471 -4.692 1.00 0.00 O ATOM 302 NE2 GLN A 23 8.524 -14.765 -5.129 1.00 0.00 N ATOM 0 H GLN A 23 8.758 -15.233 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 23 9.242 -18.125 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.014 -18.170 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.556 -18.187 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.944 -16.559 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.745 -15.538 -2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.648 -14.291 -4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.132 -14.397 -5.860 1.00 0.00 H new ATOM 311 N GLN A 24 10.872 -15.787 -2.444 1.00 0.00 N ATOM 312 CA GLN A 24 12.201 -15.370 -2.877 1.00 0.00 C ATOM 313 C GLN A 24 13.266 -15.835 -1.889 1.00 0.00 C ATOM 314 O GLN A 24 14.334 -16.302 -2.285 1.00 0.00 O ATOM 315 CB GLN A 24 12.258 -13.849 -3.027 1.00 0.00 C ATOM 316 CG GLN A 24 12.000 -13.099 -1.729 1.00 0.00 C ATOM 317 CD GLN A 24 13.256 -12.921 -0.899 1.00 0.00 C ATOM 318 OE1 GLN A 24 14.311 -13.466 -1.224 1.00 0.00 O ATOM 319 NE2 GLN A 24 13.148 -12.156 0.181 1.00 0.00 N ATOM 0 H GLN A 24 10.129 -15.125 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 24 12.402 -15.831 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.238 -13.567 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.523 -13.538 -3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.578 -12.120 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.256 -13.639 -1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.254 -11.724 0.412 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.959 -12.001 0.779 1.00 0.00 H new ATOM 328 N THR A 25 12.968 -15.704 -0.600 1.00 0.00 N ATOM 329 CA THR A 25 13.900 -16.110 0.445 1.00 0.00 C ATOM 330 C THR A 25 13.639 -17.545 0.888 1.00 0.00 C ATOM 331 O THR A 25 12.576 -18.104 0.619 1.00 0.00 O ATOM 332 CB THR A 25 13.810 -15.181 1.670 1.00 0.00 C ATOM 333 OG1 THR A 25 14.840 -15.507 2.609 1.00 0.00 O ATOM 334 CG2 THR A 25 12.449 -15.301 2.340 1.00 0.00 C ATOM 0 H THR A 25 12.088 -15.320 -0.255 1.00 0.00 H new ATOM 0 HA THR A 25 14.901 -16.041 0.020 1.00 0.00 H new ATOM 0 HB THR A 25 13.941 -14.154 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.496 -16.154 3.260 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.408 -14.636 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.669 -15.024 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.294 -16.329 2.667 1.00 0.00 H new ATOM 342 N PHE A 26 14.614 -18.136 1.570 1.00 0.00 N ATOM 343 CA PHE A 26 14.489 -19.506 2.051 1.00 0.00 C ATOM 344 C PHE A 26 13.138 -19.725 2.726 1.00 0.00 C ATOM 345 O PHE A 26 12.561 -18.801 3.297 1.00 0.00 O ATOM 346 CB PHE A 26 15.620 -19.831 3.030 1.00 0.00 C ATOM 347 CG PHE A 26 15.468 -19.159 4.365 1.00 0.00 C ATOM 348 CD1 PHE A 26 15.722 -17.805 4.506 1.00 0.00 C ATOM 349 CD2 PHE A 26 15.072 -19.883 5.478 1.00 0.00 C ATOM 350 CE1 PHE A 26 15.583 -17.183 5.733 1.00 0.00 C ATOM 351 CE2 PHE A 26 14.931 -19.267 6.708 1.00 0.00 C ATOM 352 CZ PHE A 26 15.188 -17.916 6.835 1.00 0.00 C ATOM 0 H PHE A 26 15.500 -17.687 1.802 1.00 0.00 H new ATOM 0 HA PHE A 26 14.558 -20.173 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 26 15.663 -20.910 3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 26 16.570 -19.532 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.032 -17.228 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.871 -20.940 5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.783 -16.126 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.620 -19.842 7.568 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.080 -17.433 7.795 1.00 0.00 H new ATOM 362 N GLY A 27 12.640 -20.956 2.656 1.00 0.00 N ATOM 363 CA GLY A 27 11.361 -21.274 3.263 1.00 0.00 C ATOM 364 C GLY A 27 10.198 -20.629 2.537 1.00 0.00 C ATOM 365 O GLY A 27 10.150 -19.408 2.387 1.00 0.00 O ATOM 0 H GLY A 27 13.100 -21.738 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.225 -22.355 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.364 -20.945 4.302 1.00 0.00 H new ATOM 369 N LYS A 28 9.257 -21.450 2.082 1.00 0.00 N ATOM 370 CA LYS A 28 8.088 -20.953 1.367 1.00 0.00 C ATOM 371 C LYS A 28 6.813 -21.208 2.164 1.00 0.00 C ATOM 372 O LYS A 28 6.107 -22.189 1.929 1.00 0.00 O ATOM 373 CB LYS A 28 7.984 -21.619 -0.007 1.00 0.00 C ATOM 374 CG LYS A 28 9.097 -21.222 -0.961 1.00 0.00 C ATOM 375 CD LYS A 28 9.079 -22.069 -2.223 1.00 0.00 C ATOM 376 CE LYS A 28 10.204 -21.681 -3.171 1.00 0.00 C ATOM 377 NZ LYS A 28 10.310 -22.622 -4.319 1.00 0.00 N ATOM 0 H LYS A 28 9.282 -22.463 2.196 1.00 0.00 H new ATOM 0 HA LYS A 28 8.204 -19.877 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.996 -22.701 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.024 -21.361 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.992 -20.170 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.060 -21.330 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.173 -23.122 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.120 -21.952 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.033 -20.671 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.148 -21.664 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.088 -22.324 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.498 -23.582 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.418 -22.619 -4.854 1.00 0.00 H new ATOM 391 N LYS A 29 6.523 -20.318 3.108 1.00 0.00 N ATOM 392 CA LYS A 29 5.332 -20.445 3.939 1.00 0.00 C ATOM 393 C LYS A 29 4.741 -19.074 4.255 1.00 0.00 C ATOM 394 O LYS A 29 5.399 -18.049 4.079 1.00 0.00 O ATOM 395 CB LYS A 29 5.667 -21.179 5.239 1.00 0.00 C ATOM 396 CG LYS A 29 4.498 -21.957 5.817 1.00 0.00 C ATOM 397 CD LYS A 29 4.930 -22.824 6.988 1.00 0.00 C ATOM 398 CE LYS A 29 3.807 -23.744 7.445 1.00 0.00 C ATOM 399 NZ LYS A 29 4.294 -24.786 8.391 1.00 0.00 N ATOM 0 H LYS A 29 7.097 -19.501 3.316 1.00 0.00 H new ATOM 0 HA LYS A 29 4.592 -21.022 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.494 -21.865 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.011 -20.454 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.723 -21.263 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.058 -22.584 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.796 -23.420 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.241 -22.189 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.027 -23.154 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.355 -24.224 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.499 -25.392 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.021 -25.366 7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.702 -24.329 9.231 1.00 0.00 H new ATOM 413 N TRP A 30 3.498 -19.065 4.722 1.00 0.00 N ATOM 414 CA TRP A 30 2.819 -17.820 5.064 1.00 0.00 C ATOM 415 C TRP A 30 3.360 -17.246 6.369 1.00 0.00 C ATOM 416 O TRP A 30 3.828 -17.984 7.236 1.00 0.00 O ATOM 417 CB TRP A 30 1.312 -18.051 5.180 1.00 0.00 C ATOM 418 CG TRP A 30 0.603 -18.019 3.860 1.00 0.00 C ATOM 419 CD1 TRP A 30 0.152 -19.091 3.144 1.00 0.00 C ATOM 420 CD2 TRP A 30 0.265 -16.855 3.097 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.445 -18.664 1.983 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.390 -17.296 1.931 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.449 -15.483 3.287 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.858 -16.414 0.961 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.015 -14.608 2.324 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.664 -15.076 1.173 1.00 0.00 C ATOM 0 H TRP A 30 2.940 -19.905 4.873 1.00 0.00 H new ATOM 0 HA TRP A 30 3.008 -17.102 4.266 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.135 -19.015 5.656 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.884 -17.290 5.833 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.250 -20.123 3.446 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -0.862 -19.268 1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.946 -15.113 4.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.356 -16.773 0.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.125 -13.546 2.460 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.018 -14.367 0.439 1.00 0.00 H new ATOM 437 N ARG A 31 3.292 -15.925 6.502 1.00 0.00 N ATOM 438 CA ARG A 31 3.776 -15.253 7.702 1.00 0.00 C ATOM 439 C ARG A 31 2.720 -14.300 8.255 1.00 0.00 C ATOM 440 O ARG A 31 1.755 -13.962 7.569 1.00 0.00 O ATOM 441 CB ARG A 31 5.063 -14.484 7.398 1.00 0.00 C ATOM 442 CG ARG A 31 5.898 -14.180 8.631 1.00 0.00 C ATOM 443 CD ARG A 31 7.380 -14.117 8.299 1.00 0.00 C ATOM 444 NE ARG A 31 8.200 -13.922 9.492 1.00 0.00 N ATOM 445 CZ ARG A 31 9.515 -14.110 9.518 1.00 0.00 C ATOM 446 NH1 ARG A 31 10.155 -14.496 8.423 1.00 0.00 N ATOM 447 NH2 ARG A 31 10.192 -13.911 10.642 1.00 0.00 N ATOM 0 H ARG A 31 2.907 -15.300 5.794 1.00 0.00 H new ATOM 0 HA ARG A 31 3.984 -16.013 8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.664 -15.062 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.808 -13.547 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.580 -13.231 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.726 -14.947 9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.679 -15.039 7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.560 -13.302 7.598 1.00 0.00 H new ATOM 0 HE ARG A 31 7.738 -13.625 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.638 -14.649 7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.165 -14.639 8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.703 -13.614 11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.202 -14.055 10.662 1.00 0.00 H new ATOM 461 N ARG A 32 2.910 -13.872 9.498 1.00 0.00 N ATOM 462 CA ARG A 32 1.973 -12.960 10.143 1.00 0.00 C ATOM 463 C ARG A 32 2.642 -11.624 10.455 1.00 0.00 C ATOM 464 O ARG A 32 3.751 -11.583 10.989 1.00 0.00 O ATOM 465 CB ARG A 32 1.427 -13.581 11.430 1.00 0.00 C ATOM 466 CG ARG A 32 0.015 -13.135 11.771 1.00 0.00 C ATOM 467 CD ARG A 32 0.006 -11.753 12.406 1.00 0.00 C ATOM 468 NE ARG A 32 -1.113 -11.583 13.330 1.00 0.00 N ATOM 469 CZ ARG A 32 -1.224 -12.243 14.478 1.00 0.00 C ATOM 470 NH1 ARG A 32 -0.290 -13.111 14.841 1.00 0.00 N ATOM 471 NH2 ARG A 32 -2.272 -12.033 15.265 1.00 0.00 N ATOM 0 H ARG A 32 3.704 -14.142 10.079 1.00 0.00 H new ATOM 0 HA ARG A 32 1.147 -12.782 9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.443 -14.667 11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.089 -13.324 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.593 -13.125 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.440 -13.853 12.453 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.943 -11.592 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.051 -10.995 11.625 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.849 -10.922 13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.517 -13.274 14.238 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.378 -13.616 15.723 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.992 -11.365 14.988 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.358 -12.539 16.146 1.00 0.00 H new ATOM 485 N PHE A 33 1.961 -10.534 10.118 1.00 0.00 N ATOM 486 CA PHE A 33 2.490 -9.197 10.361 1.00 0.00 C ATOM 487 C PHE A 33 1.372 -8.232 10.748 1.00 0.00 C ATOM 488 O PHE A 33 0.414 -8.044 10.001 1.00 0.00 O ATOM 489 CB PHE A 33 3.217 -8.680 9.118 1.00 0.00 C ATOM 490 CG PHE A 33 4.483 -9.427 8.811 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.594 -9.301 9.629 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.563 -10.255 7.702 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.761 -9.988 9.349 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.726 -10.944 7.418 1.00 0.00 C ATOM 495 CZ PHE A 33 6.827 -10.809 8.241 1.00 0.00 C ATOM 0 H PHE A 33 1.042 -10.550 9.676 1.00 0.00 H new ATOM 0 HA PHE A 33 3.197 -9.258 11.188 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.547 -8.748 8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.452 -7.625 9.257 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.548 -8.658 10.496 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.707 -10.363 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.619 -9.882 9.996 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.774 -11.588 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.738 -11.345 8.018 1.00 0.00 H new ATOM 505 N GLY A 34 1.504 -7.624 11.923 1.00 0.00 N ATOM 506 CA GLY A 34 0.499 -6.687 12.390 1.00 0.00 C ATOM 507 C GLY A 34 0.215 -5.592 11.382 1.00 0.00 C ATOM 508 O GLY A 34 1.110 -4.834 11.009 1.00 0.00 O ATOM 0 H GLY A 34 2.289 -7.764 12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.423 -7.226 12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.832 -6.238 13.326 1.00 0.00 H new ATOM 512 N ALA A 35 -1.035 -5.508 10.938 1.00 0.00 N ATOM 513 CA ALA A 35 -1.435 -4.497 9.967 1.00 0.00 C ATOM 514 C ALA A 35 -2.239 -3.385 10.632 1.00 0.00 C ATOM 515 O ALA A 35 -3.258 -3.640 11.273 1.00 0.00 O ATOM 516 CB ALA A 35 -2.241 -5.133 8.844 1.00 0.00 C ATOM 0 H ALA A 35 -1.788 -6.128 11.236 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.531 -4.056 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.533 -4.366 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.634 -5.887 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.134 -5.602 9.257 1.00 0.00 H new ATOM 522 N SER A 36 -1.773 -2.150 10.476 1.00 0.00 N ATOM 523 CA SER A 36 -2.447 -0.998 11.065 1.00 0.00 C ATOM 524 C SER A 36 -2.768 0.046 10.001 1.00 0.00 C ATOM 525 O SER A 36 -1.882 0.516 9.287 1.00 0.00 O ATOM 526 CB SER A 36 -1.576 -0.377 12.159 1.00 0.00 C ATOM 527 OG SER A 36 -1.369 -1.288 13.225 1.00 0.00 O ATOM 0 H SER A 36 -0.932 -1.921 9.947 1.00 0.00 H new ATOM 0 HA SER A 36 -3.383 -1.341 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.615 -0.080 11.738 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.052 0.528 12.537 1.00 0.00 H new ATOM 0 HG SER A 36 -0.685 -0.933 13.830 1.00 0.00 H new ATOM 533 N LEU A 37 -4.043 0.406 9.901 1.00 0.00 N ATOM 534 CA LEU A 37 -4.485 1.396 8.924 1.00 0.00 C ATOM 535 C LEU A 37 -4.489 2.795 9.531 1.00 0.00 C ATOM 536 O LEU A 37 -5.311 3.106 10.393 1.00 0.00 O ATOM 537 CB LEU A 37 -5.882 1.045 8.409 1.00 0.00 C ATOM 538 CG LEU A 37 -6.260 1.625 7.046 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.345 1.078 5.961 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.716 1.321 6.722 1.00 0.00 C ATOM 0 H LEU A 37 -4.789 0.027 10.484 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.785 1.385 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.966 -0.040 8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.614 1.385 9.142 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.136 2.707 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.629 1.502 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.313 1.347 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.437 -0.007 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.967 1.741 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.866 0.242 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.358 1.762 7.484 1.00 0.00 H new ATOM 552 N TYR A 38 -3.569 3.636 9.072 1.00 0.00 N ATOM 553 CA TYR A 38 -3.467 5.003 9.570 1.00 0.00 C ATOM 554 C TYR A 38 -3.878 6.005 8.496 1.00 0.00 C ATOM 555 O TYR A 38 -3.752 5.740 7.302 1.00 0.00 O ATOM 556 CB TYR A 38 -2.039 5.293 10.035 1.00 0.00 C ATOM 557 CG TYR A 38 -1.526 4.312 11.065 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.985 4.349 12.376 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.583 3.350 10.728 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.519 3.456 13.322 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.112 2.452 11.667 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.583 2.509 12.962 1.00 0.00 C ATOM 563 OH TYR A 38 -0.116 1.617 13.900 1.00 0.00 O ATOM 0 H TYR A 38 -2.883 3.395 8.356 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.145 5.107 10.417 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.375 5.280 9.171 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.999 6.299 10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.719 5.089 12.661 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.211 3.303 9.715 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.885 3.499 14.337 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.621 1.710 11.388 1.00 0.00 H new ATOM 0 HH TYR A 38 0.537 1.017 13.484 1.00 0.00 H new ATOM 573 N GLY A 39 -4.370 7.161 8.932 1.00 0.00 N ATOM 574 CA GLY A 39 -4.792 8.188 7.997 1.00 0.00 C ATOM 575 C GLY A 39 -6.270 8.503 8.111 1.00 0.00 C ATOM 576 O GLY A 39 -6.972 7.930 8.943 1.00 0.00 O ATOM 0 H GLY A 39 -4.484 7.405 9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.215 9.096 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.570 7.863 6.980 1.00 0.00 H new ATOM 580 N GLY A 40 -6.745 9.419 7.272 1.00 0.00 N ATOM 581 CA GLY A 40 -8.146 9.795 7.299 1.00 0.00 C ATOM 582 C GLY A 40 -8.445 10.843 8.352 1.00 0.00 C ATOM 583 O GLY A 40 -8.902 11.940 8.033 1.00 0.00 O ATOM 0 H GLY A 40 -6.184 9.907 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.436 10.176 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.753 8.910 7.489 1.00 0.00 H new ATOM 587 N SER A 41 -8.187 10.505 9.612 1.00 0.00 N ATOM 588 CA SER A 41 -8.436 11.424 10.716 1.00 0.00 C ATOM 589 C SER A 41 -7.575 12.677 10.585 1.00 0.00 C ATOM 590 O SER A 41 -6.348 12.608 10.645 1.00 0.00 O ATOM 591 CB SER A 41 -8.156 10.736 12.053 1.00 0.00 C ATOM 592 OG SER A 41 -8.212 11.661 13.125 1.00 0.00 O ATOM 0 H SER A 41 -7.806 9.602 9.893 1.00 0.00 H new ATOM 0 HA SER A 41 -9.484 11.720 10.681 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.884 9.941 12.216 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.173 10.266 12.025 1.00 0.00 H new ATOM 0 HG SER A 41 -8.031 11.196 13.968 1.00 0.00 H new ATOM 598 N ASP A 42 -8.228 13.820 10.407 1.00 0.00 N ATOM 599 CA ASP A 42 -7.524 15.089 10.269 1.00 0.00 C ATOM 600 C ASP A 42 -6.582 15.060 9.070 1.00 0.00 C ATOM 601 O ASP A 42 -5.441 15.517 9.154 1.00 0.00 O ATOM 602 CB ASP A 42 -6.739 15.403 11.544 1.00 0.00 C ATOM 603 CG ASP A 42 -6.117 16.785 11.516 1.00 0.00 C ATOM 604 OD1 ASP A 42 -6.866 17.775 11.651 1.00 0.00 O ATOM 605 OD2 ASP A 42 -4.882 16.877 11.357 1.00 0.00 O ATOM 0 H ASP A 42 -9.244 13.894 10.355 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.265 15.872 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.403 15.324 12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.955 14.658 11.677 1.00 0.00 H new ATOM 610 N CYS A 43 -7.065 14.519 7.957 1.00 0.00 N ATOM 611 CA CYS A 43 -6.265 14.428 6.741 1.00 0.00 C ATOM 612 C CYS A 43 -4.803 14.143 7.072 1.00 0.00 C ATOM 613 O CYS A 43 -3.897 14.715 6.468 1.00 0.00 O ATOM 614 CB CYS A 43 -6.374 15.724 5.936 1.00 0.00 C ATOM 615 SG CYS A 43 -7.853 15.828 4.901 1.00 0.00 S ATOM 0 H CYS A 43 -8.007 14.137 7.872 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.651 13.603 6.142 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.366 16.569 6.625 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.493 15.821 5.302 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.856 16.960 4.262 1.00 0.00 H new ATOM 621 N ALA A 44 -4.583 13.254 8.036 1.00 0.00 N ATOM 622 CA ALA A 44 -3.232 12.892 8.447 1.00 0.00 C ATOM 623 C ALA A 44 -2.624 11.869 7.493 1.00 0.00 C ATOM 624 O ALA A 44 -3.327 11.013 6.955 1.00 0.00 O ATOM 625 CB ALA A 44 -3.240 12.352 9.869 1.00 0.00 C ATOM 0 H ALA A 44 -5.323 12.772 8.546 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.616 13.790 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.225 12.086 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.625 13.115 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.876 11.468 9.919 1.00 0.00 H new ATOM 631 N LEU A 45 -1.315 11.963 7.288 1.00 0.00 N ATOM 632 CA LEU A 45 -0.612 11.046 6.399 1.00 0.00 C ATOM 633 C LEU A 45 -1.176 9.633 6.517 1.00 0.00 C ATOM 634 O LEU A 45 -1.523 9.182 7.608 1.00 0.00 O ATOM 635 CB LEU A 45 0.884 11.038 6.721 1.00 0.00 C ATOM 636 CG LEU A 45 1.684 12.240 6.219 1.00 0.00 C ATOM 637 CD1 LEU A 45 3.108 12.193 6.751 1.00 0.00 C ATOM 638 CD2 LEU A 45 1.682 12.286 4.698 1.00 0.00 C ATOM 0 H LEU A 45 -0.719 12.666 7.726 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.756 11.391 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.002 10.974 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.322 10.133 6.299 1.00 0.00 H new ATOM 0 HG LEU A 45 1.209 13.148 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.662 13.056 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.090 12.211 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.593 11.278 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.256 13.148 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.132 11.374 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.657 12.369 4.338 1.00 0.00 H new ATOM 650 N ALA A 46 -1.264 8.940 5.386 1.00 0.00 N ATOM 651 CA ALA A 46 -1.781 7.578 5.363 1.00 0.00 C ATOM 652 C ALA A 46 -0.714 6.593 4.900 1.00 0.00 C ATOM 653 O ALA A 46 0.004 6.850 3.934 1.00 0.00 O ATOM 654 CB ALA A 46 -3.006 7.494 4.464 1.00 0.00 C ATOM 0 H ALA A 46 -0.984 9.300 4.474 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.070 7.308 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.382 6.471 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.780 8.162 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.734 7.789 3.450 1.00 0.00 H new ATOM 660 N ARG A 47 -0.615 5.464 5.595 1.00 0.00 N ATOM 661 CA ARG A 47 0.366 4.441 5.255 1.00 0.00 C ATOM 662 C ARG A 47 0.066 3.135 5.985 1.00 0.00 C ATOM 663 O ARG A 47 -0.486 3.141 7.087 1.00 0.00 O ATOM 664 CB ARG A 47 1.776 4.921 5.604 1.00 0.00 C ATOM 665 CG ARG A 47 1.939 5.325 7.060 1.00 0.00 C ATOM 666 CD ARG A 47 3.401 5.333 7.476 1.00 0.00 C ATOM 667 NE ARG A 47 4.135 6.443 6.875 1.00 0.00 N ATOM 668 CZ ARG A 47 5.409 6.711 7.140 1.00 0.00 C ATOM 669 NH1 ARG A 47 6.086 5.953 7.991 1.00 0.00 N ATOM 670 NH2 ARG A 47 6.008 7.739 6.552 1.00 0.00 N ATOM 0 H ARG A 47 -1.202 5.235 6.397 1.00 0.00 H new ATOM 0 HA ARG A 47 0.307 4.259 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.488 4.128 5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.029 5.770 4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.510 6.315 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.383 4.635 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.469 5.399 8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.866 4.391 7.185 1.00 0.00 H new ATOM 0 HE ARG A 47 3.643 7.046 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.629 5.162 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.064 6.161 8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.490 8.324 5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.986 7.944 6.756 1.00 0.00 H new ATOM 684 N LEU A 48 0.432 2.019 5.365 1.00 0.00 N ATOM 685 CA LEU A 48 0.201 0.705 5.956 1.00 0.00 C ATOM 686 C LEU A 48 1.471 0.172 6.612 1.00 0.00 C ATOM 687 O LEU A 48 2.474 -0.067 5.940 1.00 0.00 O ATOM 688 CB LEU A 48 -0.286 -0.277 4.889 1.00 0.00 C ATOM 689 CG LEU A 48 -1.193 -1.406 5.381 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.470 -0.841 5.983 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.517 -2.363 4.243 1.00 0.00 C ATOM 0 H LEU A 48 0.890 1.997 4.454 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.566 0.809 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.821 0.285 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.585 -0.721 4.408 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.664 -1.960 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.103 -1.659 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.221 -0.196 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.003 -0.263 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.163 -3.160 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.027 -1.821 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.594 -2.794 3.856 1.00 0.00 H new ATOM 703 N GLU A 49 1.419 -0.012 7.927 1.00 0.00 N ATOM 704 CA GLU A 49 2.566 -0.518 8.673 1.00 0.00 C ATOM 705 C GLU A 49 2.489 -2.035 8.825 1.00 0.00 C ATOM 706 O GLU A 49 1.404 -2.616 8.821 1.00 0.00 O ATOM 707 CB GLU A 49 2.637 0.141 10.051 1.00 0.00 C ATOM 708 CG GLU A 49 3.121 1.581 10.013 1.00 0.00 C ATOM 709 CD GLU A 49 3.359 2.154 11.397 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.823 1.401 12.278 1.00 0.00 O ATOM 711 OE2 GLU A 49 3.080 3.354 11.599 1.00 0.00 O ATOM 0 H GLU A 49 0.596 0.181 8.498 1.00 0.00 H new ATOM 0 HA GLU A 49 3.469 -0.271 8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.649 0.111 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.303 -0.441 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.045 1.634 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.386 2.194 9.492 1.00 0.00 H new ATOM 718 N LEU A 50 3.649 -2.669 8.959 1.00 0.00 N ATOM 719 CA LEU A 50 3.715 -4.118 9.113 1.00 0.00 C ATOM 720 C LEU A 50 4.865 -4.517 10.032 1.00 0.00 C ATOM 721 O LEU A 50 6.011 -4.125 9.812 1.00 0.00 O ATOM 722 CB LEU A 50 3.881 -4.789 7.748 1.00 0.00 C ATOM 723 CG LEU A 50 2.668 -4.731 6.819 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.017 -5.293 5.450 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.496 -5.488 7.426 1.00 0.00 C ATOM 0 H LEU A 50 4.556 -2.203 8.964 1.00 0.00 H new ATOM 0 HA LEU A 50 2.781 -4.453 9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.726 -4.326 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.140 -5.835 7.909 1.00 0.00 H new ATOM 0 HG LEU A 50 2.377 -3.688 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.142 -5.244 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.826 -4.708 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.334 -6.331 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.641 -5.437 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.776 -6.530 7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.230 -5.040 8.384 1.00 0.00 H new ATOM 737 N GLN A 51 4.551 -5.298 11.060 1.00 0.00 N ATOM 738 CA GLN A 51 5.560 -5.751 12.011 1.00 0.00 C ATOM 739 C GLN A 51 5.092 -7.002 12.746 1.00 0.00 C ATOM 740 O GLN A 51 3.901 -7.172 13.006 1.00 0.00 O ATOM 741 CB GLN A 51 5.876 -4.642 13.016 1.00 0.00 C ATOM 742 CG GLN A 51 4.712 -4.302 13.933 1.00 0.00 C ATOM 743 CD GLN A 51 5.068 -3.246 14.961 1.00 0.00 C ATOM 744 OE1 GLN A 51 4.695 -2.080 14.824 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.794 -3.648 15.997 1.00 0.00 N ATOM 0 H GLN A 51 3.607 -5.630 11.256 1.00 0.00 H new ATOM 0 HA GLN A 51 6.465 -5.997 11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.729 -4.945 13.623 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.174 -3.745 12.473 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.872 -3.951 13.333 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.382 -5.206 14.445 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.081 -4.624 16.070 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.065 -2.981 16.720 1.00 0.00 H new ATOM 754 N GLU A 52 6.038 -7.876 13.077 1.00 0.00 N ATOM 755 CA GLU A 52 5.721 -9.113 13.782 1.00 0.00 C ATOM 756 C GLU A 52 6.410 -9.156 15.142 1.00 0.00 C ATOM 757 O GLU A 52 5.765 -9.027 16.182 1.00 0.00 O ATOM 758 CB GLU A 52 6.142 -10.324 12.946 1.00 0.00 C ATOM 759 CG GLU A 52 5.794 -11.656 13.588 1.00 0.00 C ATOM 760 CD GLU A 52 4.353 -11.722 14.054 1.00 0.00 C ATOM 761 OE1 GLU A 52 3.479 -11.161 13.362 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.100 -12.334 15.113 1.00 0.00 O ATOM 0 H GLU A 52 7.029 -7.751 12.869 1.00 0.00 H new ATOM 0 HA GLU A 52 4.643 -9.146 13.939 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.663 -10.265 11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.218 -10.282 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.978 -12.458 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.455 -11.829 14.438 1.00 0.00 H new ATOM 769 N GLY A 53 7.727 -9.340 15.127 1.00 0.00 N ATOM 770 CA GLY A 53 8.482 -9.398 16.365 1.00 0.00 C ATOM 771 C GLY A 53 9.124 -10.752 16.589 1.00 0.00 C ATOM 772 O GLY A 53 8.540 -11.646 17.203 1.00 0.00 O ATOM 0 H GLY A 53 8.284 -9.450 14.280 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.256 -8.630 16.352 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.821 -9.170 17.201 1.00 0.00 H new ATOM 776 N PRO A 54 10.355 -10.920 16.083 1.00 0.00 N ATOM 777 CA PRO A 54 11.103 -12.173 16.218 1.00 0.00 C ATOM 778 C PRO A 54 11.552 -12.428 17.652 1.00 0.00 C ATOM 779 O PRO A 54 11.254 -11.646 18.554 1.00 0.00 O ATOM 780 CB PRO A 54 12.315 -11.963 15.307 1.00 0.00 C ATOM 781 CG PRO A 54 12.493 -10.485 15.248 1.00 0.00 C ATOM 782 CD PRO A 54 11.111 -9.898 15.340 1.00 0.00 C ATOM 0 HA PRO A 54 10.498 -13.040 15.952 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.202 -12.453 15.709 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.142 -12.381 14.315 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.121 -10.134 16.067 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.983 -10.187 14.321 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.115 -8.942 15.863 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.683 -9.720 14.353 1.00 0.00 H new ATOM 790 N GLU A 55 12.271 -13.528 17.856 1.00 0.00 N ATOM 791 CA GLU A 55 12.761 -13.885 19.182 1.00 0.00 C ATOM 792 C GLU A 55 14.278 -14.048 19.176 1.00 0.00 C ATOM 793 O GLU A 55 14.796 -15.154 19.330 1.00 0.00 O ATOM 794 CB GLU A 55 12.100 -15.179 19.662 1.00 0.00 C ATOM 795 CG GLU A 55 11.740 -16.133 18.536 1.00 0.00 C ATOM 796 CD GLU A 55 11.314 -17.498 19.041 1.00 0.00 C ATOM 797 OE1 GLU A 55 12.003 -18.045 19.927 1.00 0.00 O ATOM 798 OE2 GLU A 55 10.290 -18.018 18.551 1.00 0.00 O ATOM 0 H GLU A 55 12.527 -14.187 17.120 1.00 0.00 H new ATOM 0 HA GLU A 55 12.503 -13.077 19.867 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.772 -15.685 20.355 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.197 -14.931 20.219 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.934 -15.701 17.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.598 -16.247 17.873 1.00 0.00 H new ATOM 805 N LYS A 56 14.985 -12.937 18.997 1.00 0.00 N ATOM 806 CA LYS A 56 16.443 -12.954 18.971 1.00 0.00 C ATOM 807 C LYS A 56 17.016 -12.104 20.100 1.00 0.00 C ATOM 808 O LYS A 56 16.486 -11.048 20.446 1.00 0.00 O ATOM 809 CB LYS A 56 16.955 -12.442 17.623 1.00 0.00 C ATOM 810 CG LYS A 56 16.825 -13.456 16.499 1.00 0.00 C ATOM 811 CD LYS A 56 17.813 -14.599 16.662 1.00 0.00 C ATOM 812 CE LYS A 56 19.232 -14.161 16.337 1.00 0.00 C ATOM 813 NZ LYS A 56 19.402 -13.858 14.889 1.00 0.00 N ATOM 0 H LYS A 56 14.572 -12.013 18.868 1.00 0.00 H new ATOM 0 HA LYS A 56 16.773 -13.983 19.111 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.405 -11.540 17.353 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.002 -12.158 17.726 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.809 -13.852 16.480 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.993 -12.963 15.542 1.00 0.00 H new ATOM 0 HD2 LYS A 56 17.772 -14.973 17.685 1.00 0.00 H new ATOM 0 HD3 LYS A 56 17.527 -15.424 16.009 1.00 0.00 H new ATOM 0 HE2 LYS A 56 19.483 -13.278 16.925 1.00 0.00 H new ATOM 0 HE3 LYS A 56 19.930 -14.946 16.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.416 -13.812 14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 18.953 -14.606 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.957 -12.944 14.671 1.00 0.00 H new ATOM 827 N PRO A 57 18.127 -12.571 20.688 1.00 0.00 N ATOM 828 CA PRO A 57 18.798 -11.868 21.786 1.00 0.00 C ATOM 829 C PRO A 57 19.468 -10.578 21.324 1.00 0.00 C ATOM 830 O PRO A 57 19.879 -9.755 22.142 1.00 0.00 O ATOM 831 CB PRO A 57 19.848 -12.875 22.263 1.00 0.00 C ATOM 832 CG PRO A 57 20.116 -13.734 21.076 1.00 0.00 C ATOM 833 CD PRO A 57 18.815 -13.823 20.327 1.00 0.00 C ATOM 0 HA PRO A 57 18.097 -11.562 22.563 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.754 -12.372 22.600 1.00 0.00 H new ATOM 0 HB3 PRO A 57 19.479 -13.464 23.103 1.00 0.00 H new ATOM 0 HG2 PRO A 57 20.898 -13.303 20.451 1.00 0.00 H new ATOM 0 HG3 PRO A 57 20.460 -14.723 21.379 1.00 0.00 H new ATOM 0 HD2 PRO A 57 18.975 -13.898 19.251 1.00 0.00 H new ATOM 0 HD3 PRO A 57 18.239 -14.699 20.625 1.00 0.00 H new ATOM 841 N ARG A 58 19.574 -10.409 20.010 1.00 0.00 N ATOM 842 CA ARG A 58 20.194 -9.219 19.441 1.00 0.00 C ATOM 843 C ARG A 58 19.586 -8.887 18.081 1.00 0.00 C ATOM 844 O ARG A 58 19.608 -9.707 17.163 1.00 0.00 O ATOM 845 CB ARG A 58 21.704 -9.423 19.300 1.00 0.00 C ATOM 846 CG ARG A 58 22.504 -8.134 19.394 1.00 0.00 C ATOM 847 CD ARG A 58 22.664 -7.478 18.031 1.00 0.00 C ATOM 848 NE ARG A 58 22.951 -6.050 18.141 1.00 0.00 N ATOM 849 CZ ARG A 58 23.320 -5.293 17.114 1.00 0.00 C ATOM 850 NH1 ARG A 58 23.446 -5.825 15.906 1.00 0.00 N ATOM 851 NH2 ARG A 58 23.563 -4.001 17.293 1.00 0.00 N ATOM 0 H ARG A 58 19.239 -11.081 19.320 1.00 0.00 H new ATOM 0 HA ARG A 58 20.008 -8.384 20.117 1.00 0.00 H new ATOM 0 HB2 ARG A 58 22.043 -10.109 20.076 1.00 0.00 H new ATOM 0 HB3 ARG A 58 21.910 -9.899 18.341 1.00 0.00 H new ATOM 0 HG2 ARG A 58 22.006 -7.444 20.075 1.00 0.00 H new ATOM 0 HG3 ARG A 58 23.487 -8.344 19.816 1.00 0.00 H new ATOM 0 HD2 ARG A 58 23.470 -7.969 17.485 1.00 0.00 H new ATOM 0 HD3 ARG A 58 21.752 -7.621 17.451 1.00 0.00 H new ATOM 0 HE ARG A 58 22.863 -5.610 19.057 1.00 0.00 H new ATOM 0 HH11 ARG A 58 23.259 -6.818 15.764 1.00 0.00 H new ATOM 0 HH12 ARG A 58 23.730 -5.242 15.119 1.00 0.00 H new ATOM 0 HH21 ARG A 58 23.467 -3.588 18.220 1.00 0.00 H new ATOM 0 HH22 ARG A 58 23.846 -3.421 16.503 1.00 0.00 H new ATOM 865 N ARG A 59 19.044 -7.680 17.961 1.00 0.00 N ATOM 866 CA ARG A 59 18.429 -7.240 16.714 1.00 0.00 C ATOM 867 C ARG A 59 19.491 -6.834 15.697 1.00 0.00 C ATOM 868 O ARG A 59 20.056 -5.742 15.776 1.00 0.00 O ATOM 869 CB ARG A 59 17.482 -6.066 16.974 1.00 0.00 C ATOM 870 CG ARG A 59 16.622 -6.241 18.215 1.00 0.00 C ATOM 871 CD ARG A 59 15.381 -7.070 17.920 1.00 0.00 C ATOM 872 NE ARG A 59 14.396 -6.323 17.142 1.00 0.00 N ATOM 873 CZ ARG A 59 13.114 -6.661 17.060 1.00 0.00 C ATOM 874 NH1 ARG A 59 12.664 -7.727 17.706 1.00 0.00 N ATOM 875 NH2 ARG A 59 12.280 -5.930 16.331 1.00 0.00 N ATOM 0 H ARG A 59 19.018 -6.989 18.711 1.00 0.00 H new ATOM 0 HA ARG A 59 17.859 -8.075 16.305 1.00 0.00 H new ATOM 0 HB2 ARG A 59 18.068 -5.153 17.074 1.00 0.00 H new ATOM 0 HB3 ARG A 59 16.833 -5.935 16.108 1.00 0.00 H new ATOM 0 HG2 ARG A 59 17.206 -6.724 18.999 1.00 0.00 H new ATOM 0 HG3 ARG A 59 16.326 -5.263 18.595 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.667 -7.969 17.375 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.931 -7.395 18.858 1.00 0.00 H new ATOM 0 HE ARG A 59 14.710 -5.496 16.634 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.303 -8.290 18.268 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.679 -7.984 17.641 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.623 -5.108 15.834 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.296 -6.190 16.268 1.00 0.00 H new ATOM 889 N CYS A 60 19.758 -7.720 14.743 1.00 0.00 N ATOM 890 CA CYS A 60 20.754 -7.455 13.711 1.00 0.00 C ATOM 891 C CYS A 60 20.551 -6.071 13.102 1.00 0.00 C ATOM 892 O CYS A 60 21.435 -5.218 13.169 1.00 0.00 O ATOM 893 CB CYS A 60 20.681 -8.522 12.618 1.00 0.00 C ATOM 894 SG CYS A 60 21.896 -8.307 11.295 1.00 0.00 S ATOM 0 H CYS A 60 19.299 -8.627 14.663 1.00 0.00 H new ATOM 0 HA CYS A 60 21.740 -7.487 14.175 1.00 0.00 H new ATOM 0 HB2 CYS A 60 20.824 -9.503 13.072 1.00 0.00 H new ATOM 0 HB3 CYS A 60 19.681 -8.514 12.184 1.00 0.00 H new ATOM 0 HG CYS A 60 21.757 -9.258 10.420 1.00 0.00 H new ATOM 900 N GLU A 61 19.381 -5.857 12.508 1.00 0.00 N ATOM 901 CA GLU A 61 19.064 -4.577 11.885 1.00 0.00 C ATOM 902 C GLU A 61 17.566 -4.296 11.951 1.00 0.00 C ATOM 903 O GLU A 61 16.756 -5.215 12.067 1.00 0.00 O ATOM 904 CB GLU A 61 19.533 -4.564 10.428 1.00 0.00 C ATOM 905 CG GLU A 61 21.038 -4.433 10.274 1.00 0.00 C ATOM 906 CD GLU A 61 21.456 -4.150 8.844 1.00 0.00 C ATOM 907 OE1 GLU A 61 20.647 -3.563 8.095 1.00 0.00 O ATOM 908 OE2 GLU A 61 22.591 -4.516 8.474 1.00 0.00 O ATOM 0 H GLU A 61 18.638 -6.553 12.445 1.00 0.00 H new ATOM 0 HA GLU A 61 19.587 -3.795 12.435 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.205 -5.483 9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.050 -3.737 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.397 -3.631 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 61 21.515 -5.352 10.613 1.00 0.00 H new ATOM 915 N ALA A 62 17.206 -3.019 11.878 1.00 0.00 N ATOM 916 CA ALA A 62 15.806 -2.616 11.928 1.00 0.00 C ATOM 917 C ALA A 62 15.054 -3.088 10.688 1.00 0.00 C ATOM 918 O ALA A 62 15.022 -2.398 9.670 1.00 0.00 O ATOM 919 CB ALA A 62 15.696 -1.106 12.072 1.00 0.00 C ATOM 0 H ALA A 62 17.864 -2.246 11.784 1.00 0.00 H new ATOM 0 HA ALA A 62 15.349 -3.087 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.645 -0.820 12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.190 -0.791 12.991 1.00 0.00 H new ATOM 0 HB3 ALA A 62 16.175 -0.623 11.220 1.00 0.00 H new ATOM 925 N ALA A 63 14.450 -4.268 10.781 1.00 0.00 N ATOM 926 CA ALA A 63 13.697 -4.831 9.667 1.00 0.00 C ATOM 927 C ALA A 63 12.223 -4.451 9.753 1.00 0.00 C ATOM 928 O ALA A 63 11.433 -5.134 10.406 1.00 0.00 O ATOM 929 CB ALA A 63 13.853 -6.344 9.636 1.00 0.00 C ATOM 0 H ALA A 63 14.467 -4.853 11.617 1.00 0.00 H new ATOM 0 HA ALA A 63 14.099 -4.416 8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.285 -6.751 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.906 -6.599 9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.479 -6.767 10.568 1.00 0.00 H new ATOM 935 N ARG A 64 11.859 -3.357 9.091 1.00 0.00 N ATOM 936 CA ARG A 64 10.480 -2.886 9.094 1.00 0.00 C ATOM 937 C ARG A 64 9.926 -2.813 7.674 1.00 0.00 C ATOM 938 O ARG A 64 10.614 -2.378 6.750 1.00 0.00 O ATOM 939 CB ARG A 64 10.390 -1.511 9.759 1.00 0.00 C ATOM 940 CG ARG A 64 8.964 -1.035 9.983 1.00 0.00 C ATOM 941 CD ARG A 64 8.921 0.439 10.355 1.00 0.00 C ATOM 942 NE ARG A 64 9.316 1.297 9.241 1.00 0.00 N ATOM 943 CZ ARG A 64 9.064 2.600 9.191 1.00 0.00 C ATOM 944 NH1 ARG A 64 8.420 3.192 10.187 1.00 0.00 N ATOM 945 NH2 ARG A 64 9.455 3.313 8.143 1.00 0.00 N ATOM 0 H ARG A 64 12.500 -2.781 8.546 1.00 0.00 H new ATOM 0 HA ARG A 64 9.881 -3.598 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.907 -1.546 10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.914 -0.783 9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.378 -1.201 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.502 -1.625 10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.913 0.703 10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.582 0.618 11.203 1.00 0.00 H new ATOM 0 HE ARG A 64 9.813 0.872 8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.117 2.647 10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.228 4.193 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.950 2.861 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.261 4.314 8.106 1.00 0.00 H new ATOM 959 N LYS A 65 8.680 -3.242 7.508 1.00 0.00 N ATOM 960 CA LYS A 65 8.033 -3.226 6.201 1.00 0.00 C ATOM 961 C LYS A 65 6.845 -2.269 6.195 1.00 0.00 C ATOM 962 O LYS A 65 5.869 -2.470 6.918 1.00 0.00 O ATOM 963 CB LYS A 65 7.569 -4.634 5.821 1.00 0.00 C ATOM 964 CG LYS A 65 6.737 -4.678 4.551 1.00 0.00 C ATOM 965 CD LYS A 65 7.599 -4.496 3.313 1.00 0.00 C ATOM 966 CE LYS A 65 8.326 -5.781 2.946 1.00 0.00 C ATOM 967 NZ LYS A 65 9.474 -5.528 2.032 1.00 0.00 N ATOM 0 H LYS A 65 8.097 -3.605 8.262 1.00 0.00 H new ATOM 0 HA LYS A 65 8.761 -2.880 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.442 -5.274 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.985 -5.049 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.211 -5.631 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.978 -3.897 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.975 -4.178 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.326 -3.703 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.685 -6.267 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.628 -6.470 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.943 -6.428 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.129 -5.087 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.153 -4.891 2.496 1.00 0.00 H new ATOM 981 N VAL A 66 6.933 -1.228 5.373 1.00 0.00 N ATOM 982 CA VAL A 66 5.864 -0.242 5.270 1.00 0.00 C ATOM 983 C VAL A 66 5.433 -0.047 3.821 1.00 0.00 C ATOM 984 O VAL A 66 6.263 0.194 2.943 1.00 0.00 O ATOM 985 CB VAL A 66 6.296 1.117 5.853 1.00 0.00 C ATOM 986 CG1 VAL A 66 7.078 1.916 4.821 1.00 0.00 C ATOM 987 CG2 VAL A 66 5.085 1.898 6.338 1.00 0.00 C ATOM 0 H VAL A 66 7.734 -1.046 4.768 1.00 0.00 H new ATOM 0 HA VAL A 66 5.023 -0.626 5.847 1.00 0.00 H new ATOM 0 HB VAL A 66 6.948 0.936 6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.375 2.873 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.967 1.359 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.453 2.090 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.409 2.855 6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.406 2.071 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.571 1.328 7.112 1.00 0.00 H new ATOM 997 N ILE A 67 4.131 -0.152 3.577 1.00 0.00 N ATOM 998 CA ILE A 67 3.590 0.014 2.234 1.00 0.00 C ATOM 999 C ILE A 67 2.565 1.142 2.190 1.00 0.00 C ATOM 1000 O ILE A 67 1.386 0.935 2.481 1.00 0.00 O ATOM 1001 CB ILE A 67 2.932 -1.283 1.728 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.953 -2.422 1.700 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.332 -1.068 0.346 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.339 -3.790 1.902 1.00 0.00 C ATOM 0 H ILE A 67 3.431 -0.351 4.292 1.00 0.00 H new ATOM 0 HA ILE A 67 4.429 0.263 1.584 1.00 0.00 H new ATOM 0 HB ILE A 67 2.129 -1.557 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.477 -2.406 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.699 -2.249 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.871 -1.994 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.578 -0.283 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.118 -0.773 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.121 -4.548 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.839 -3.825 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.614 -3.984 1.112 1.00 0.00 H new ATOM 1016 N ARG A 68 3.021 2.335 1.824 1.00 0.00 N ATOM 1017 CA ARG A 68 2.143 3.496 1.741 1.00 0.00 C ATOM 1018 C ARG A 68 1.025 3.261 0.731 1.00 0.00 C ATOM 1019 O ARG A 68 1.278 2.908 -0.422 1.00 0.00 O ATOM 1020 CB ARG A 68 2.944 4.740 1.352 1.00 0.00 C ATOM 1021 CG ARG A 68 3.755 4.569 0.078 1.00 0.00 C ATOM 1022 CD ARG A 68 4.842 5.626 -0.037 1.00 0.00 C ATOM 1023 NE ARG A 68 4.323 6.891 -0.550 1.00 0.00 N ATOM 1024 CZ ARG A 68 4.912 8.064 -0.346 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.035 8.132 0.356 1.00 0.00 N ATOM 1026 NH2 ARG A 68 4.378 9.172 -0.845 1.00 0.00 N ATOM 0 H ARG A 68 3.993 2.523 1.580 1.00 0.00 H new ATOM 0 HA ARG A 68 1.695 3.653 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.259 5.578 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.617 4.998 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.207 3.577 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.094 4.630 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.294 5.790 0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.631 5.264 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 68 3.461 6.873 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.448 7.282 0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.486 9.034 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.514 9.123 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.831 10.072 -0.688 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.213 3.458 1.170 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.372 3.267 0.305 1.00 0.00 C ATOM 1042 C LEU A 69 -1.164 3.952 -1.042 1.00 0.00 C ATOM 1043 O LEU A 69 -1.571 3.434 -2.082 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.632 3.814 0.978 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.028 3.153 2.299 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.244 3.843 2.898 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.302 1.670 2.092 1.00 0.00 C ATOM 0 H LEU A 69 -0.440 3.750 2.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.494 2.197 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.491 4.880 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.464 3.715 0.281 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.197 3.255 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.511 3.359 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.013 4.892 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.081 3.773 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.582 1.216 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.115 1.547 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.405 1.184 1.708 1.00 0.00 H new ATOM 1059 N SER A 70 -0.527 5.118 -1.016 1.00 0.00 N ATOM 1060 CA SER A 70 -0.266 5.874 -2.235 1.00 0.00 C ATOM 1061 C SER A 70 0.452 5.010 -3.267 1.00 0.00 C ATOM 1062 O SER A 70 0.204 5.124 -4.468 1.00 0.00 O ATOM 1063 CB SER A 70 0.572 7.115 -1.921 1.00 0.00 C ATOM 1064 OG SER A 70 -0.013 7.875 -0.877 1.00 0.00 O ATOM 0 H SER A 70 -0.182 5.560 -0.164 1.00 0.00 H new ATOM 0 HA SER A 70 -1.224 6.186 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.580 6.814 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.665 7.731 -2.816 1.00 0.00 H new ATOM 0 HG SER A 70 0.542 8.662 -0.694 1.00 0.00 H new ATOM 1070 N ASP A 71 1.342 4.147 -2.790 1.00 0.00 N ATOM 1071 CA ASP A 71 2.096 3.262 -3.671 1.00 0.00 C ATOM 1072 C ASP A 71 1.184 2.209 -4.294 1.00 0.00 C ATOM 1073 O ASP A 71 1.441 1.726 -5.397 1.00 0.00 O ATOM 1074 CB ASP A 71 3.227 2.581 -2.898 1.00 0.00 C ATOM 1075 CG ASP A 71 4.414 2.250 -3.781 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.225 1.531 -4.785 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.532 2.711 -3.469 1.00 0.00 O ATOM 0 H ASP A 71 1.559 4.041 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 71 2.524 3.865 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.552 3.232 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.851 1.665 -2.441 1.00 0.00 H new ATOM 1082 N CYS A 72 0.120 1.858 -3.580 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.829 0.861 -4.062 1.00 0.00 C ATOM 1084 C CYS A 72 -1.453 1.299 -5.383 1.00 0.00 C ATOM 1085 O CYS A 72 -2.484 1.974 -5.401 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.923 0.624 -3.021 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.303 0.101 -1.404 1.00 0.00 S ATOM 0 H CYS A 72 -0.107 2.249 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.288 -0.070 -4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.498 1.542 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.610 -0.134 -3.397 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.303 -0.072 -0.591 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.823 0.913 -6.486 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.315 1.266 -7.813 1.00 0.00 C ATOM 1095 C LEU A 73 -2.747 0.778 -8.011 1.00 0.00 C ATOM 1096 O LEU A 73 -3.646 1.564 -8.306 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.408 0.671 -8.891 1.00 0.00 C ATOM 1098 CG LEU A 73 1.013 1.231 -8.956 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.970 0.195 -9.525 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.048 2.505 -9.788 1.00 0.00 C ATOM 0 H LEU A 73 0.031 0.355 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.306 2.353 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.346 -0.406 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.882 0.823 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 73 1.333 1.474 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.976 0.612 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.968 -0.690 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.652 -0.080 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.068 2.889 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.707 2.288 -10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.394 3.252 -9.337 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.950 -0.525 -7.843 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.273 -1.118 -8.002 1.00 0.00 C ATOM 1114 C ARG A 74 -4.436 -2.333 -7.093 1.00 0.00 C ATOM 1115 O ARG A 74 -3.487 -3.083 -6.865 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.501 -1.524 -9.459 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.953 -1.835 -9.784 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.276 -3.301 -9.546 1.00 0.00 C ATOM 1119 NE ARG A 74 -5.649 -4.168 -10.541 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.058 -4.257 -11.801 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.090 -3.536 -12.219 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -5.436 -5.069 -12.647 1.00 0.00 N ATOM 0 H ARG A 74 -2.216 -1.189 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.015 -0.371 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.156 -0.720 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.892 -2.400 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.605 -1.214 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.157 -1.581 -10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.939 -3.589 -8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.356 -3.443 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.853 -4.736 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.571 -2.911 -11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.402 -3.606 -13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.643 -5.626 -12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.752 -5.136 -13.615 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.646 -2.519 -6.576 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.935 -3.642 -5.692 1.00 0.00 C ATOM 1138 C VAL A 75 -7.165 -4.410 -6.163 1.00 0.00 C ATOM 1139 O VAL A 75 -7.994 -3.881 -6.903 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.160 -3.173 -4.242 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.004 -2.301 -3.778 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.481 -2.428 -4.123 1.00 0.00 C ATOM 0 H VAL A 75 -6.442 -1.907 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.066 -4.299 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.204 -4.050 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.180 -1.979 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.076 -2.871 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.926 -1.427 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.624 -2.104 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.468 -1.557 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.298 -3.088 -4.413 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.279 -5.660 -5.727 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.409 -6.501 -6.101 1.00 0.00 C ATOM 1154 C ALA A 76 -8.755 -7.483 -4.988 1.00 0.00 C ATOM 1155 O ALA A 76 -8.055 -7.564 -3.980 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.107 -7.248 -7.392 1.00 0.00 C ATOM 0 H ALA A 76 -6.602 -6.113 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.273 -5.856 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.960 -7.872 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.917 -6.531 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.227 -7.876 -7.252 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.840 -8.228 -5.178 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.279 -9.204 -4.188 1.00 0.00 C ATOM 1164 C GLU A 77 -10.027 -10.627 -4.678 1.00 0.00 C ATOM 1165 O GLU A 77 -10.398 -10.985 -5.795 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.766 -9.016 -3.878 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.042 -7.915 -2.867 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.470 -7.411 -2.929 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.347 -8.031 -2.292 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.711 -6.396 -3.615 1.00 0.00 O ATOM 0 H GLU A 77 -10.430 -8.174 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.702 -9.044 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.296 -8.789 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.171 -9.955 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.836 -8.288 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.359 -7.084 -3.045 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.393 -11.434 -3.833 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.093 -12.818 -4.179 1.00 0.00 C ATOM 1179 C ALA A 78 -9.743 -13.783 -3.194 1.00 0.00 C ATOM 1180 O ALA A 78 -10.319 -13.367 -2.190 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.587 -13.037 -4.219 1.00 0.00 C ATOM 0 H ALA A 78 -9.077 -11.153 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.505 -13.017 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.377 -14.075 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.143 -12.379 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.161 -12.814 -3.241 1.00 0.00 H new ATOM 1187 N GLY A 79 -9.648 -15.076 -3.489 1.00 0.00 N ATOM 1188 CA GLY A 79 -10.233 -16.081 -2.620 1.00 0.00 C ATOM 1189 C GLY A 79 -10.320 -17.441 -3.282 1.00 0.00 C ATOM 1190 O GLY A 79 -10.247 -17.550 -4.506 1.00 0.00 O ATOM 0 H GLY A 79 -9.176 -15.446 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.638 -16.161 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.231 -15.762 -2.321 1.00 0.00 H new ATOM 1194 N GLY A 80 -10.475 -18.484 -2.472 1.00 0.00 N ATOM 1195 CA GLY A 80 -10.567 -19.831 -3.005 1.00 0.00 C ATOM 1196 C GLY A 80 -9.252 -20.317 -3.581 1.00 0.00 C ATOM 1197 O GLY A 80 -8.405 -20.838 -2.857 1.00 0.00 O ATOM 0 H GLY A 80 -10.539 -18.420 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.887 -20.510 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.333 -19.860 -3.780 1.00 0.00 H new ATOM 1201 N GLU A 81 -9.082 -20.149 -4.889 1.00 0.00 N ATOM 1202 CA GLU A 81 -7.862 -20.578 -5.562 1.00 0.00 C ATOM 1203 C GLU A 81 -6.661 -19.771 -5.076 1.00 0.00 C ATOM 1204 O GLU A 81 -6.259 -18.794 -5.707 1.00 0.00 O ATOM 1205 CB GLU A 81 -8.010 -20.430 -7.078 1.00 0.00 C ATOM 1206 CG GLU A 81 -9.001 -21.405 -7.690 1.00 0.00 C ATOM 1207 CD GLU A 81 -8.774 -22.832 -7.233 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -7.644 -23.336 -7.402 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -9.726 -23.445 -6.706 1.00 0.00 O ATOM 0 H GLU A 81 -9.774 -19.719 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.695 -21.628 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.326 -19.412 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.036 -20.573 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.014 -21.100 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.926 -21.359 -8.776 1.00 0.00 H new ATOM 1216 N ALA A 82 -6.092 -20.188 -3.949 1.00 0.00 N ATOM 1217 CA ALA A 82 -4.937 -19.507 -3.379 1.00 0.00 C ATOM 1218 C ALA A 82 -4.405 -20.254 -2.161 1.00 0.00 C ATOM 1219 O ALA A 82 -5.176 -20.728 -1.326 1.00 0.00 O ATOM 1220 CB ALA A 82 -5.298 -18.077 -3.007 1.00 0.00 C ATOM 0 H ALA A 82 -6.413 -20.994 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.150 -19.487 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.426 -17.580 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.623 -17.540 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.104 -18.084 -2.273 1.00 0.00 H new ATOM 1226 N SER A 83 -3.083 -20.357 -2.065 1.00 0.00 N ATOM 1227 CA SER A 83 -2.449 -21.051 -0.951 1.00 0.00 C ATOM 1228 C SER A 83 -3.181 -20.763 0.356 1.00 0.00 C ATOM 1229 O SER A 83 -3.180 -21.583 1.274 1.00 0.00 O ATOM 1230 CB SER A 83 -0.982 -20.631 -0.830 1.00 0.00 C ATOM 1231 OG SER A 83 -0.169 -21.352 -1.739 1.00 0.00 O ATOM 0 H SER A 83 -2.430 -19.968 -2.746 1.00 0.00 H new ATOM 0 HA SER A 83 -2.499 -22.122 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.889 -19.562 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.634 -20.802 0.189 1.00 0.00 H new ATOM 0 HG SER A 83 0.763 -21.064 -1.643 1.00 0.00 H new ATOM 1237 N SER A 84 -3.807 -19.593 0.432 1.00 0.00 N ATOM 1238 CA SER A 84 -4.541 -19.194 1.627 1.00 0.00 C ATOM 1239 C SER A 84 -5.260 -20.389 2.246 1.00 0.00 C ATOM 1240 O SER A 84 -5.733 -21.289 1.553 1.00 0.00 O ATOM 1241 CB SER A 84 -5.551 -18.096 1.288 1.00 0.00 C ATOM 1242 OG SER A 84 -6.373 -18.478 0.199 1.00 0.00 O ATOM 0 H SER A 84 -3.821 -18.904 -0.320 1.00 0.00 H new ATOM 0 HA SER A 84 -3.825 -18.807 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.171 -17.886 2.160 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.023 -17.175 1.043 1.00 0.00 H new ATOM 0 HG SER A 84 -5.993 -19.269 -0.236 1.00 0.00 H new ATOM 1248 N PRO A 85 -5.345 -20.398 3.585 1.00 0.00 N ATOM 1249 CA PRO A 85 -6.006 -21.475 4.329 1.00 0.00 C ATOM 1250 C PRO A 85 -7.518 -21.471 4.135 1.00 0.00 C ATOM 1251 O PRO A 85 -8.048 -20.707 3.327 1.00 0.00 O ATOM 1252 CB PRO A 85 -5.653 -21.167 5.786 1.00 0.00 C ATOM 1253 CG PRO A 85 -5.400 -19.699 5.813 1.00 0.00 C ATOM 1254 CD PRO A 85 -4.805 -19.357 4.475 1.00 0.00 C ATOM 0 HA PRO A 85 -5.680 -22.460 3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.467 -21.441 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.774 -21.726 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.324 -19.147 5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.719 -19.435 6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.097 -18.359 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.716 -19.378 4.503 1.00 0.00 H new ATOM 1262 N ARG A 86 -8.208 -22.328 4.880 1.00 0.00 N ATOM 1263 CA ARG A 86 -9.660 -22.424 4.789 1.00 0.00 C ATOM 1264 C ARG A 86 -10.330 -21.371 5.667 1.00 0.00 C ATOM 1265 O ARG A 86 -9.749 -20.903 6.646 1.00 0.00 O ATOM 1266 CB ARG A 86 -10.127 -23.820 5.202 1.00 0.00 C ATOM 1267 CG ARG A 86 -11.415 -24.257 4.522 1.00 0.00 C ATOM 1268 CD ARG A 86 -11.136 -24.981 3.214 1.00 0.00 C ATOM 1269 NE ARG A 86 -10.983 -24.054 2.097 1.00 0.00 N ATOM 1270 CZ ARG A 86 -11.021 -24.426 0.822 1.00 0.00 C ATOM 1271 NH1 ARG A 86 -11.205 -25.700 0.505 1.00 0.00 N ATOM 1272 NH2 ARG A 86 -10.874 -23.523 -0.138 1.00 0.00 N ATOM 0 H ARG A 86 -7.785 -22.966 5.554 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.947 -22.245 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.342 -24.540 4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.271 -23.841 6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.976 -24.912 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.041 -23.385 4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.230 -25.578 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.951 -25.673 3.002 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.839 -23.066 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.318 -26.397 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.234 -25.983 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.732 -22.542 0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.903 -23.810 -1.116 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.555 -21.002 5.308 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.305 -20.005 6.063 1.00 0.00 C ATOM 1288 C ASP A 87 -11.610 -18.648 6.011 1.00 0.00 C ATOM 1289 O ASP A 87 -11.554 -17.928 7.009 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.470 -20.452 7.517 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.610 -19.739 8.216 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.773 -20.154 8.029 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.340 -18.765 8.950 1.00 0.00 O ATOM 0 H ASP A 87 -12.049 -21.378 4.499 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.290 -19.906 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.646 -21.527 7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.543 -20.266 8.059 1.00 0.00 H new ATOM 1298 N THR A 88 -11.079 -18.305 4.842 1.00 0.00 N ATOM 1299 CA THR A 88 -10.385 -17.036 4.660 1.00 0.00 C ATOM 1300 C THR A 88 -10.489 -16.555 3.217 1.00 0.00 C ATOM 1301 O THR A 88 -10.959 -17.282 2.342 1.00 0.00 O ATOM 1302 CB THR A 88 -8.898 -17.148 5.046 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.311 -18.289 4.409 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.739 -17.266 6.554 1.00 0.00 C ATOM 0 H THR A 88 -11.116 -18.889 4.006 1.00 0.00 H new ATOM 0 HA THR A 88 -10.869 -16.314 5.317 1.00 0.00 H new ATOM 0 HB THR A 88 -8.389 -16.244 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.361 -18.118 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.681 -17.344 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.161 -16.383 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.261 -18.156 6.906 1.00 0.00 H new ATOM 1312 N SER A 89 -10.047 -15.325 2.976 1.00 0.00 N ATOM 1313 CA SER A 89 -10.093 -14.745 1.638 1.00 0.00 C ATOM 1314 C SER A 89 -8.950 -13.754 1.437 1.00 0.00 C ATOM 1315 O SER A 89 -8.931 -12.681 2.040 1.00 0.00 O ATOM 1316 CB SER A 89 -11.435 -14.048 1.408 1.00 0.00 C ATOM 1317 OG SER A 89 -12.481 -14.992 1.258 1.00 0.00 O ATOM 0 H SER A 89 -9.653 -14.711 3.689 1.00 0.00 H new ATOM 0 HA SER A 89 -9.983 -15.552 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.654 -13.388 2.247 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.375 -13.422 0.518 1.00 0.00 H new ATOM 0 HG SER A 89 -12.137 -15.892 1.435 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.000 -14.122 0.583 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.855 -13.266 0.299 1.00 0.00 C ATOM 1325 C ALA A 90 -7.204 -12.210 -0.744 1.00 0.00 C ATOM 1326 O ALA A 90 -8.116 -12.398 -1.551 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.674 -14.103 -0.168 1.00 0.00 C ATOM 0 H ALA A 90 -8.001 -15.007 0.076 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.580 -12.751 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.826 -13.451 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.402 -14.815 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.947 -14.644 -1.074 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.475 -11.100 -0.723 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.709 -10.013 -1.667 1.00 0.00 C ATOM 1335 C PHE A 91 -5.456 -9.728 -2.490 1.00 0.00 C ATOM 1336 O PHE A 91 -4.370 -10.215 -2.176 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.143 -8.748 -0.923 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.153 -8.289 0.108 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.995 -8.987 1.295 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.379 -7.161 -0.109 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.085 -8.566 2.246 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.466 -6.736 0.838 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.319 -7.440 2.017 1.00 0.00 C ATOM 0 H PHE A 91 -5.717 -10.929 -0.063 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.506 -10.319 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.300 -7.947 -1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.101 -8.932 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.590 -9.870 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.490 -6.607 -1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.973 -9.117 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.869 -5.855 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.606 -7.111 2.759 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.616 -8.936 -3.545 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.499 -8.587 -4.415 1.00 0.00 C ATOM 1355 C PHE A 92 -3.947 -7.208 -4.064 1.00 0.00 C ATOM 1356 O PHE A 92 -4.673 -6.342 -3.574 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.938 -8.614 -5.880 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.934 -9.991 -6.482 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.740 -10.623 -6.789 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.124 -10.653 -6.739 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.733 -11.889 -7.343 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.123 -11.919 -7.292 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.926 -12.539 -7.594 1.00 0.00 C ATOM 0 H PHE A 92 -6.508 -8.524 -3.818 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.710 -9.324 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.941 -8.195 -5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.277 -7.970 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.804 -10.121 -6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.063 -10.174 -6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.795 -12.370 -7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.057 -12.424 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.923 -13.529 -8.025 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.658 -7.012 -4.317 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.006 -5.740 -4.028 1.00 0.00 C ATOM 1375 C LEU A 93 -0.843 -5.493 -4.984 1.00 0.00 C ATOM 1376 O LEU A 93 0.212 -6.114 -4.865 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.506 -5.717 -2.583 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.471 -4.346 -1.906 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.074 -4.483 -0.444 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.513 -3.416 -2.636 1.00 0.00 C ATOM 0 H LEU A 93 -2.043 -7.718 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.740 -4.946 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.140 -6.377 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.500 -6.137 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.471 -3.914 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.054 -3.498 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.798 -5.114 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.085 -4.936 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.500 -2.445 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.490 -3.843 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.841 -3.293 -3.668 1.00 0.00 H new ATOM 1392 N GLU A 94 -1.045 -4.582 -5.931 1.00 0.00 N ATOM 1393 CA GLU A 94 -0.012 -4.254 -6.906 1.00 0.00 C ATOM 1394 C GLU A 94 0.586 -2.879 -6.623 1.00 0.00 C ATOM 1395 O GLU A 94 -0.135 -1.890 -6.490 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.588 -4.289 -8.324 1.00 0.00 C ATOM 1397 CG GLU A 94 0.470 -4.394 -9.408 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.072 -4.067 -10.786 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.976 -4.789 -11.255 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.409 -3.089 -11.396 1.00 0.00 O ATOM 0 H GLU A 94 -1.913 -4.059 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 94 0.779 -5.000 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.269 -5.136 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.178 -3.387 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.292 -3.717 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.880 -5.404 -9.413 1.00 0.00 H new ATOM 1407 N THR A 95 1.912 -2.824 -6.531 1.00 0.00 N ATOM 1408 CA THR A 95 2.608 -1.573 -6.261 1.00 0.00 C ATOM 1409 C THR A 95 3.720 -1.333 -7.276 1.00 0.00 C ATOM 1410 O THR A 95 3.999 -2.185 -8.120 1.00 0.00 O ATOM 1411 CB THR A 95 3.210 -1.559 -4.843 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.161 -2.620 -4.704 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.121 -1.706 -3.792 1.00 0.00 C ATOM 0 H THR A 95 2.525 -3.632 -6.640 1.00 0.00 H new ATOM 0 HA THR A 95 1.869 -0.776 -6.341 1.00 0.00 H new ATOM 0 HB THR A 95 3.710 -0.602 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.833 -3.416 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.570 -1.693 -2.799 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.415 -0.880 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.596 -2.650 -3.941 1.00 0.00 H new ATOM 1421 N LYS A 96 4.355 -0.169 -7.187 1.00 0.00 N ATOM 1422 CA LYS A 96 5.439 0.183 -8.096 1.00 0.00 C ATOM 1423 C LYS A 96 6.590 -0.812 -7.981 1.00 0.00 C ATOM 1424 O LYS A 96 7.246 -1.132 -8.972 1.00 0.00 O ATOM 1425 CB LYS A 96 5.943 1.597 -7.798 1.00 0.00 C ATOM 1426 CG LYS A 96 5.198 2.680 -8.559 1.00 0.00 C ATOM 1427 CD LYS A 96 6.081 3.891 -8.813 1.00 0.00 C ATOM 1428 CE LYS A 96 5.351 4.953 -9.621 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.297 5.846 -10.345 1.00 0.00 N ATOM 0 H LYS A 96 4.137 0.547 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 96 5.051 0.148 -9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.853 1.788 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.003 1.655 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.845 2.280 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.317 2.983 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.403 4.314 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.981 3.582 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.686 4.471 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.725 5.549 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.761 6.556 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.915 6.326 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.877 5.281 -10.998 1.00 0.00 H new ATOM 1443 N GLU A 97 6.826 -1.299 -6.767 1.00 0.00 N ATOM 1444 CA GLU A 97 7.897 -2.259 -6.525 1.00 0.00 C ATOM 1445 C GLU A 97 7.574 -3.607 -7.163 1.00 0.00 C ATOM 1446 O GLU A 97 8.283 -4.068 -8.058 1.00 0.00 O ATOM 1447 CB GLU A 97 8.125 -2.435 -5.022 1.00 0.00 C ATOM 1448 CG GLU A 97 8.912 -1.300 -4.389 1.00 0.00 C ATOM 1449 CD GLU A 97 9.235 -1.556 -2.930 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.169 -2.339 -2.659 1.00 0.00 O ATOM 1451 OE2 GLU A 97 8.553 -0.976 -2.060 1.00 0.00 O ATOM 0 H GLU A 97 6.291 -1.045 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 97 8.808 -1.870 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.159 -2.518 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.654 -3.373 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.840 -1.154 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.341 -0.375 -4.474 1.00 0.00 H new ATOM 1458 N ARG A 98 6.500 -4.234 -6.695 1.00 0.00 N ATOM 1459 CA ARG A 98 6.083 -5.530 -7.218 1.00 0.00 C ATOM 1460 C ARG A 98 4.695 -5.902 -6.705 1.00 0.00 C ATOM 1461 O ARG A 98 4.078 -5.149 -5.950 1.00 0.00 O ATOM 1462 CB ARG A 98 7.091 -6.611 -6.823 1.00 0.00 C ATOM 1463 CG ARG A 98 7.083 -6.938 -5.339 1.00 0.00 C ATOM 1464 CD ARG A 98 8.272 -7.803 -4.953 1.00 0.00 C ATOM 1465 NE ARG A 98 9.430 -7.002 -4.567 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.558 -7.519 -4.092 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.678 -8.832 -3.945 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.568 -6.724 -3.763 1.00 0.00 N ATOM 0 H ARG A 98 5.903 -3.866 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 98 6.043 -5.460 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.877 -7.519 -7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.091 -6.285 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.101 -6.014 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.158 -7.455 -5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.992 -8.456 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.540 -8.446 -5.791 1.00 0.00 H new ATOM 0 HE ARG A 98 9.370 -5.989 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.904 -9.446 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.545 -9.227 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.479 -5.714 -3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.433 -7.123 -3.398 1.00 0.00 H new ATOM 1482 N LEU A 99 4.210 -7.067 -7.120 1.00 0.00 N ATOM 1483 CA LEU A 99 2.894 -7.539 -6.703 1.00 0.00 C ATOM 1484 C LEU A 99 2.991 -8.361 -5.422 1.00 0.00 C ATOM 1485 O LEU A 99 3.707 -9.361 -5.366 1.00 0.00 O ATOM 1486 CB LEU A 99 2.256 -8.377 -7.813 1.00 0.00 C ATOM 1487 CG LEU A 99 0.895 -8.994 -7.490 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.225 -8.021 -7.825 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.710 -10.303 -8.244 1.00 0.00 C ATOM 0 H LEU A 99 4.708 -7.702 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 99 2.268 -6.668 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.147 -7.750 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.944 -9.181 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 99 0.858 -9.205 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.186 -8.477 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.102 -7.110 -7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.190 -7.778 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.264 -10.728 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.768 -10.117 -9.316 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.493 -11.003 -7.955 1.00 0.00 H new ATOM 1501 N TYR A 100 2.265 -7.934 -4.395 1.00 0.00 N ATOM 1502 CA TYR A 100 2.269 -8.630 -3.114 1.00 0.00 C ATOM 1503 C TYR A 100 0.920 -9.290 -2.847 1.00 0.00 C ATOM 1504 O TYR A 100 -0.105 -8.614 -2.738 1.00 0.00 O ATOM 1505 CB TYR A 100 2.606 -7.657 -1.982 1.00 0.00 C ATOM 1506 CG TYR A 100 3.972 -7.024 -2.115 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.128 -7.784 -1.992 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.107 -5.664 -2.366 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.378 -7.209 -2.112 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.353 -5.080 -2.490 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.486 -5.857 -2.361 1.00 0.00 C ATOM 1512 OH TYR A 100 7.729 -5.280 -2.483 1.00 0.00 O ATOM 0 H TYR A 100 1.666 -7.109 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 100 3.031 -9.408 -3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.852 -6.871 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.551 -8.186 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.048 -8.844 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.222 -5.053 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.266 -7.815 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.440 -4.022 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 100 7.629 -4.321 -2.658 1.00 0.00 H new ATOM 1522 N LEU A 101 0.926 -10.614 -2.743 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.297 -11.367 -2.489 1.00 0.00 C ATOM 1524 C LEU A 101 -0.432 -11.702 -1.006 1.00 0.00 C ATOM 1525 O LEU A 101 0.153 -12.673 -0.522 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.309 -12.653 -3.317 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.471 -13.611 -3.053 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.771 -13.034 -3.593 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.192 -14.972 -3.673 1.00 0.00 C ATOM 0 H LEU A 101 1.764 -11.188 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.144 -10.746 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.321 -12.382 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.624 -13.187 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.573 -13.739 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.587 -13.729 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.978 -12.083 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.680 -12.876 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.030 -15.641 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.062 -14.862 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.284 -15.390 -3.239 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.207 -10.895 -0.291 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.421 -11.106 1.136 1.00 0.00 C ATOM 1543 C LEU A 102 -2.770 -11.771 1.392 1.00 0.00 C ATOM 1544 O LEU A 102 -3.674 -11.703 0.560 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.345 -9.775 1.886 1.00 0.00 C ATOM 1546 CG LEU A 102 0.041 -9.136 1.979 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.284 -8.213 0.795 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.191 -8.375 3.289 1.00 0.00 C ATOM 0 H LEU A 102 -1.698 -10.088 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.635 -11.767 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.017 -9.068 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.721 -9.929 2.897 1.00 0.00 H new ATOM 0 HG LEU A 102 0.788 -9.930 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.275 -7.767 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.220 -8.784 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.469 -7.425 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.183 -7.927 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.564 -7.591 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.061 -9.062 4.126 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.899 -12.410 2.550 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.139 -13.083 2.917 1.00 0.00 C ATOM 1562 C ALA A 103 -4.845 -12.350 4.053 1.00 0.00 C ATOM 1563 O ALA A 103 -4.201 -11.797 4.943 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.860 -14.526 3.311 1.00 0.00 C ATOM 0 H ALA A 103 -2.160 -12.476 3.250 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.798 -13.076 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.795 -15.016 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.406 -15.051 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.179 -14.546 4.162 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.174 -12.350 4.014 1.00 0.00 N ATOM 1571 CA ALA A 104 -6.967 -11.686 5.041 1.00 0.00 C ATOM 1572 C ALA A 104 -8.244 -12.466 5.337 1.00 0.00 C ATOM 1573 O ALA A 104 -8.802 -13.143 4.473 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.302 -10.265 4.613 1.00 0.00 C ATOM 0 H ALA A 104 -6.723 -12.802 3.283 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.374 -11.648 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.894 -9.781 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.380 -9.705 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.872 -10.290 3.684 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.720 -12.371 6.588 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.936 -13.061 7.027 1.00 0.00 C ATOM 1582 C PRO A 105 -11.195 -12.473 6.399 1.00 0.00 C ATOM 1583 O PRO A 105 -11.490 -11.290 6.569 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.941 -12.841 8.542 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.156 -11.592 8.746 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.106 -11.582 7.670 1.00 0.00 C ATOM 0 HA PRO A 105 -9.937 -14.111 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.957 -12.737 8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.488 -13.683 9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.796 -10.713 8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.700 -11.575 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.873 -10.568 7.345 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.173 -12.029 8.014 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.933 -13.306 5.673 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.162 -12.868 5.021 1.00 0.00 C ATOM 1596 C ALA A 106 -13.908 -11.854 5.882 1.00 0.00 C ATOM 1597 O ALA A 106 -14.576 -10.960 5.365 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.053 -14.063 4.718 1.00 0.00 C ATOM 0 H ALA A 106 -11.702 -14.288 5.521 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.894 -12.382 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.967 -13.722 4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.526 -14.752 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.306 -14.573 5.647 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.790 -12.001 7.198 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.453 -11.097 8.130 1.00 0.00 C ATOM 1606 C ALA A 107 -13.985 -9.660 7.927 1.00 0.00 C ATOM 1607 O ALA A 107 -14.797 -8.756 7.731 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.199 -11.539 9.563 1.00 0.00 C ATOM 0 H ALA A 107 -13.242 -12.737 7.642 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.525 -11.134 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.700 -10.855 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.588 -12.547 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.127 -11.532 9.761 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.673 -9.457 7.975 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.099 -8.128 7.798 1.00 0.00 C ATOM 1616 C GLU A 108 -12.031 -7.758 6.319 1.00 0.00 C ATOM 1617 O GLU A 108 -12.242 -6.603 5.947 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.701 -8.065 8.415 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.689 -8.285 9.919 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.301 -8.158 10.516 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -8.366 -8.792 9.984 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.150 -7.425 11.516 1.00 0.00 O ATOM 0 H GLU A 108 -11.987 -10.195 8.135 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.744 -7.411 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.070 -8.817 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.259 -7.093 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.352 -7.562 10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.087 -9.275 10.141 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.734 -8.746 5.481 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.636 -8.524 4.043 1.00 0.00 C ATOM 1631 C ARG A 109 -12.652 -7.482 3.583 1.00 0.00 C ATOM 1632 O ARG A 109 -12.283 -6.405 3.116 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.857 -9.836 3.287 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.488 -9.760 1.815 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.334 -10.708 0.979 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.741 -10.319 0.964 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.705 -11.065 0.437 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.414 -12.235 -0.116 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.962 -10.642 0.461 1.00 0.00 N ATOM 0 H ARG A 109 -11.557 -9.707 5.773 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.635 -8.151 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.268 -10.622 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.904 -10.125 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.622 -8.739 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.433 -10.005 1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.953 -10.729 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.242 -11.720 1.374 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.998 -9.425 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.448 -12.563 -0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.156 -12.807 -0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.189 -9.742 0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.701 -11.216 0.056 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.933 -7.812 3.718 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.981 -6.895 3.311 1.00 0.00 C ATOM 1655 C GLY A 110 -14.626 -5.448 3.587 1.00 0.00 C ATOM 1656 O GLY A 110 -14.892 -4.569 2.768 1.00 0.00 O ATOM 0 H GLY A 110 -14.263 -8.698 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.176 -7.021 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.903 -7.146 3.836 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.024 -5.199 4.745 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.632 -3.848 5.128 1.00 0.00 C ATOM 1662 C ASP A 111 -12.251 -3.506 4.577 1.00 0.00 C ATOM 1663 O ASP A 111 -12.097 -2.558 3.807 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.636 -3.705 6.651 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.012 -3.379 7.198 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -15.715 -2.554 6.579 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.385 -3.948 8.245 1.00 0.00 O ATOM 0 H ASP A 111 -13.797 -5.915 5.435 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.356 -3.152 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.279 -4.632 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.937 -2.920 6.941 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.251 -4.283 4.976 1.00 0.00 N ATOM 1673 CA TRP A 112 -9.883 -4.062 4.523 1.00 0.00 C ATOM 1674 C TRP A 112 -9.861 -3.551 3.087 1.00 0.00 C ATOM 1675 O TRP A 112 -9.437 -2.425 2.824 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.073 -5.355 4.629 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.387 -5.519 5.952 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.443 -6.608 6.774 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.544 -4.564 6.604 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.686 -6.387 7.899 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.123 -5.141 7.818 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.101 -3.279 6.280 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.283 -4.475 8.707 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.268 -2.619 7.163 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.865 -3.217 8.364 1.00 0.00 C ATOM 0 H TRP A 112 -11.362 -5.072 5.613 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.432 -3.306 5.165 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.735 -6.205 4.463 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.326 -5.373 3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.000 -7.510 6.570 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.563 -7.044 8.669 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.404 -2.810 5.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -5.972 -4.934 9.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.922 -1.625 6.923 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.212 -2.675 9.032 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.321 -4.384 2.159 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.356 -4.015 0.749 1.00 0.00 C ATOM 1698 C VAL A 113 -11.091 -2.695 0.544 1.00 0.00 C ATOM 1699 O VAL A 113 -10.683 -1.867 -0.270 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.036 -5.106 -0.100 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.211 -4.634 -1.535 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.235 -6.398 -0.048 1.00 0.00 C ATOM 0 H VAL A 113 -10.675 -5.320 2.359 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.321 -3.905 0.425 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.025 -5.302 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.693 -5.418 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.830 -3.737 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.235 -4.408 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.730 -7.158 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.232 -6.220 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.168 -6.743 0.984 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.175 -2.506 1.289 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.967 -1.286 1.189 1.00 0.00 C ATOM 1714 C GLN A 114 -12.173 -0.080 1.681 1.00 0.00 C ATOM 1715 O GLN A 114 -11.817 0.802 0.900 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.260 -1.424 1.994 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.234 -0.276 1.782 1.00 0.00 C ATOM 1718 CD GLN A 114 -15.757 -0.210 0.361 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.434 -1.057 -0.472 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.571 0.800 0.076 1.00 0.00 N ATOM 0 H GLN A 114 -12.525 -3.182 1.968 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.217 -1.130 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.749 -2.359 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.013 -1.489 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.073 -0.385 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.740 0.664 2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.812 1.480 0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.955 0.896 -0.864 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.900 -0.049 2.981 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.147 1.048 3.577 1.00 0.00 C ATOM 1731 C ALA A 115 -9.913 1.381 2.747 1.00 0.00 C ATOM 1732 O ALA A 115 -9.699 2.534 2.371 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.749 0.700 5.004 1.00 0.00 C ATOM 0 H ALA A 115 -12.189 -0.771 3.642 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.788 1.929 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.187 1.528 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.645 0.519 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.129 -0.197 5.000 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.103 0.366 2.466 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.890 0.552 1.680 1.00 0.00 C ATOM 1741 C ILE A 116 -8.197 1.223 0.345 1.00 0.00 C ATOM 1742 O ILE A 116 -7.481 2.129 -0.085 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.178 -0.788 1.416 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.724 -1.418 2.735 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.993 -0.584 0.484 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.246 -2.845 2.590 1.00 0.00 C ATOM 0 H ILE A 116 -9.265 -0.594 2.771 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.232 1.195 2.265 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.881 -1.467 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.920 -0.815 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.551 -1.391 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.500 -1.540 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.342 -0.175 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.286 0.109 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.940 -3.227 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.054 -3.461 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.399 -2.877 1.905 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.265 0.775 -0.304 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.668 1.332 -1.590 1.00 0.00 C ATOM 1760 C CYS A 117 -9.990 2.818 -1.461 1.00 0.00 C ATOM 1761 O CYS A 117 -9.623 3.620 -2.321 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.883 0.581 -2.137 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.580 1.301 -3.642 1.00 0.00 S ATOM 0 H CYS A 117 -9.868 0.027 0.039 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.836 1.217 -2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.598 -0.451 -2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.656 0.553 -1.369 1.00 0.00 H new ATOM 0 HG CYS A 117 -12.601 0.595 -4.028 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.678 3.178 -0.384 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.051 4.567 -0.143 1.00 0.00 C ATOM 1771 C LEU A 118 -9.813 5.453 -0.040 1.00 0.00 C ATOM 1772 O LEU A 118 -9.690 6.451 -0.752 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.880 4.679 1.137 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.394 4.546 0.971 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.759 3.144 0.510 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.106 4.885 2.272 1.00 0.00 C ATOM 0 H LEU A 118 -10.989 2.527 0.337 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.650 4.908 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.542 3.911 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.669 5.643 1.599 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.720 5.253 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.840 3.068 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.279 2.939 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.419 2.418 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.183 4.785 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.775 4.204 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.871 5.910 2.559 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.899 5.082 0.849 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.669 5.841 1.044 1.00 0.00 C ATOM 1790 C LEU A 119 -6.746 5.702 -0.162 1.00 0.00 C ATOM 1791 O LEU A 119 -6.478 6.675 -0.867 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.949 5.369 2.308 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.367 6.049 3.612 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.858 5.264 4.811 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -6.854 7.481 3.655 1.00 0.00 C ATOM 0 H LEU A 119 -8.986 4.260 1.447 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.935 6.892 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.109 4.296 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.878 5.520 2.170 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.456 6.072 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.165 5.763 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.273 4.256 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.770 5.209 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.161 7.950 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.766 7.480 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.267 8.041 2.816 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.264 4.486 -0.394 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.374 4.218 -1.518 1.00 0.00 C ATOM 1809 C ALA A 120 -5.854 4.929 -2.779 1.00 0.00 C ATOM 1810 O ALA A 120 -5.049 5.426 -3.568 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.268 2.720 -1.762 1.00 0.00 C ATOM 0 H ALA A 120 -6.474 3.670 0.181 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.386 4.605 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.601 2.535 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.872 2.233 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.256 2.317 -1.987 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.169 4.973 -2.964 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.755 5.622 -4.131 1.00 0.00 C ATOM 1819 C PHE A 121 -8.708 6.738 -3.712 1.00 0.00 C ATOM 1820 O PHE A 121 -9.841 6.813 -4.187 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.499 4.597 -4.990 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.710 3.345 -5.248 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.456 2.447 -4.224 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.222 3.067 -6.515 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.731 1.294 -4.458 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.497 1.915 -6.755 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.250 1.028 -5.725 1.00 0.00 C ATOM 0 H PHE A 121 -7.849 4.567 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.947 6.060 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.434 4.332 -4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.760 5.055 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.829 2.650 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.410 3.758 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.541 0.602 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.124 1.708 -7.747 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.682 0.128 -5.910 1.00 0.00 H new ATOM 1837 N SER A 122 -8.239 7.602 -2.818 1.00 0.00 N ATOM 1838 CA SER A 122 -9.049 8.712 -2.330 1.00 0.00 C ATOM 1839 C SER A 122 -9.008 9.885 -3.305 1.00 0.00 C ATOM 1840 O SER A 122 -10.039 10.469 -3.636 1.00 0.00 O ATOM 1841 CB SER A 122 -8.559 9.163 -0.952 1.00 0.00 C ATOM 1842 OG SER A 122 -9.354 10.223 -0.450 1.00 0.00 O ATOM 0 H SER A 122 -7.302 7.555 -2.417 1.00 0.00 H new ATOM 0 HA SER A 122 -10.080 8.367 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.589 8.322 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.520 9.484 -1.019 1.00 0.00 H new ATOM 0 HG SER A 122 -9.022 10.492 0.432 1.00 0.00 H new ATOM 1848 N GLY A 123 -7.806 10.224 -3.763 1.00 0.00 N ATOM 1849 CA GLY A 123 -7.651 11.324 -4.696 1.00 0.00 C ATOM 1850 C GLY A 123 -8.337 11.062 -6.022 1.00 0.00 C ATOM 1851 O GLY A 123 -9.254 10.246 -6.120 1.00 0.00 O ATOM 0 H GLY A 123 -6.937 9.756 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.059 12.232 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.590 11.503 -4.869 1.00 0.00 H new ATOM 1855 N PRO A 124 -7.892 11.767 -7.073 1.00 0.00 N ATOM 1856 CA PRO A 124 -8.457 11.624 -8.418 1.00 0.00 C ATOM 1857 C PRO A 124 -8.114 10.279 -9.051 1.00 0.00 C ATOM 1858 O PRO A 124 -8.838 9.787 -9.916 1.00 0.00 O ATOM 1859 CB PRO A 124 -7.802 12.765 -9.201 1.00 0.00 C ATOM 1860 CG PRO A 124 -6.526 13.035 -8.480 1.00 0.00 C ATOM 1861 CD PRO A 124 -6.803 12.757 -7.029 1.00 0.00 C ATOM 0 HA PRO A 124 -9.546 11.665 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -7.619 12.480 -10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -8.440 13.649 -9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -5.725 12.397 -8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -6.206 14.067 -8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -5.923 12.364 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -7.102 13.660 -6.497 1.00 0.00 H new ATOM 1869 N SER A 125 -7.007 9.689 -8.612 1.00 0.00 N ATOM 1870 CA SER A 125 -6.567 8.402 -9.138 1.00 0.00 C ATOM 1871 C SER A 125 -7.762 7.512 -9.468 1.00 0.00 C ATOM 1872 O SER A 125 -8.782 7.544 -8.779 1.00 0.00 O ATOM 1873 CB SER A 125 -5.657 7.699 -8.129 1.00 0.00 C ATOM 1874 OG SER A 125 -4.607 8.553 -7.708 1.00 0.00 O ATOM 0 H SER A 125 -6.398 10.081 -7.894 1.00 0.00 H new ATOM 0 HA SER A 125 -6.008 8.585 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.242 7.383 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.239 6.798 -8.578 1.00 0.00 H new ATOM 0 HG SER A 125 -4.041 8.081 -7.062 1.00 0.00 H new ATOM 1880 N SER A 126 -7.627 6.720 -10.526 1.00 0.00 N ATOM 1881 CA SER A 126 -8.697 5.824 -10.951 1.00 0.00 C ATOM 1882 C SER A 126 -8.129 4.598 -11.659 1.00 0.00 C ATOM 1883 O SER A 126 -7.521 4.707 -12.723 1.00 0.00 O ATOM 1884 CB SER A 126 -9.668 6.558 -11.878 1.00 0.00 C ATOM 1885 OG SER A 126 -10.633 5.669 -12.412 1.00 0.00 O ATOM 0 H SER A 126 -6.788 6.680 -11.105 1.00 0.00 H new ATOM 0 HA SER A 126 -9.235 5.493 -10.062 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.168 7.355 -11.328 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.114 7.029 -12.690 1.00 0.00 H new ATOM 0 HG SER A 126 -11.243 6.162 -13.000 1.00 0.00 H new ATOM 1891 N GLY A 127 -8.331 3.428 -11.059 1.00 0.00 N ATOM 1892 CA GLY A 127 -7.834 2.198 -11.645 1.00 0.00 C ATOM 1893 C GLY A 127 -8.534 1.849 -12.943 1.00 0.00 C ATOM 1894 O GLY A 127 -8.329 2.506 -13.963 1.00 0.00 O ATOM 0 H GLY A 127 -8.830 3.311 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -6.764 2.293 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.965 1.382 -10.934 1.00 0.00 H new TER 1898 GLY A 127