USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1136 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 68 ASN :FLIP amide:sc= -3.09 F(o=-5.1,f=-3.3) USER MOD Set 1.2: A 81 ASN : amide:sc= -0.178 K(o=-3.3,f=-15!) USER MOD Set 2.1: A 26 THR OG1 : rot 57:sc= 0.104 USER MOD Set 2.2: A 27 ASN : amide:sc= 0.467 K(o=0.57,f=-0.92) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0184) 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 135:sc= -0.395 (180deg=-1.36!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.35) USER MOD Single : A 14 CYS SG : rot -25:sc= -0.164 USER MOD Single : A 16 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.018) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 21 CYS SG : rot 143:sc= -3.56! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -10.4! C(o=-12!,f=-10!) USER MOD Single : A 31 THR OG1 : rot -70:sc= 1.08 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 42 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.6) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 100:sc= -0.99 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 ASN : amide:sc= -3.48 K(o=-3.5,f=-17!) USER MOD Single : A 56 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.057) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 61 SER OG : rot 174:sc= 0.138 USER MOD Single : A 63 ASN : amide:sc= -3.21! C(o=-3.2!,f=-19!) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.046) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 73 MET CE :methyl -139:sc= -0.254 (180deg=-1.14) USER MOD Single : A 74 SER OG : rot 160:sc= -0.802 USER MOD Single : A 75 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.37) USER MOD Single : A 78 CYS SG : rot 170:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 90:sc= -0.173 USER MOD Single : A 87 THR OG1 : rot 69:sc= 1.13 USER MOD Single : A 89 CYS SG : rot 63:sc= -2.09 USER MOD Single : A 90 CYS SG : rot -130:sc= -1.3 USER MOD Single : A 92 THR OG1 : rot 172:sc= 0.409 USER MOD Single : A 95 MET CE :methyl -147:sc= -0.135 (180deg=-0.265) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0417) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -100:sc= -0.172 USER MOD Single : A 120 SER OG : rot 55:sc= 0.959 USER MOD Single : A 123 SER OG : rot -80:sc= 0.276 USER MOD Single : A 125 THR OG1 : rot -76:sc= 0.918 USER MOD Single : A 131 THR OG1 : rot -88:sc= 0.584 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.919 -0.036 17.793 1.00 0.00 N ATOM 2 CA GLY A 1 14.438 1.222 17.288 1.00 0.00 C ATOM 3 C GLY A 1 14.817 2.180 18.399 1.00 0.00 C ATOM 4 O GLY A 1 15.860 2.831 18.338 1.00 0.00 O ATOM 0 H1 GLY A 1 13.754 -0.687 16.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.607 -0.457 18.449 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.023 0.134 18.293 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.312 1.028 16.666 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.689 1.690 16.649 1.00 0.00 H new ATOM 8 N SER A 2 13.967 2.269 19.417 1.00 0.00 N ATOM 9 CA SER A 2 14.216 3.160 20.545 1.00 0.00 C ATOM 10 C SER A 2 15.630 2.969 21.086 1.00 0.00 C ATOM 11 O SER A 2 16.424 3.909 21.123 1.00 0.00 O ATOM 12 CB SER A 2 13.194 2.909 21.655 1.00 0.00 C ATOM 13 OG SER A 2 11.913 3.388 21.287 1.00 0.00 O ATOM 0 H SER A 2 13.100 1.735 19.484 1.00 0.00 H new ATOM 0 HA SER A 2 14.116 4.187 20.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.139 1.841 21.868 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.520 3.401 22.572 1.00 0.00 H new ATOM 0 HG SER A 2 11.278 3.214 22.013 1.00 0.00 H new ATOM 19 N SER A 3 15.936 1.746 21.505 1.00 0.00 N ATOM 20 CA SER A 3 17.252 1.431 22.048 1.00 0.00 C ATOM 21 C SER A 3 18.168 0.871 20.964 1.00 0.00 C ATOM 22 O SER A 3 17.986 -0.254 20.502 1.00 0.00 O ATOM 23 CB SER A 3 17.127 0.426 23.195 1.00 0.00 C ATOM 24 OG SER A 3 16.226 0.891 24.184 1.00 0.00 O ATOM 0 H SER A 3 15.291 0.957 21.479 1.00 0.00 H new ATOM 0 HA SER A 3 17.690 2.354 22.429 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.783 -0.533 22.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.106 0.256 23.642 1.00 0.00 H new ATOM 0 HG SER A 3 16.162 0.230 24.905 1.00 0.00 H new ATOM 30 N GLY A 4 19.155 1.667 20.562 1.00 0.00 N ATOM 31 CA GLY A 4 20.085 1.235 19.535 1.00 0.00 C ATOM 32 C GLY A 4 20.444 2.350 18.573 1.00 0.00 C ATOM 33 O GLY A 4 21.063 3.340 18.962 1.00 0.00 O ATOM 0 H GLY A 4 19.327 2.603 20.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.993 0.859 20.006 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.648 0.406 18.979 1.00 0.00 H new ATOM 37 N SER A 5 20.056 2.189 17.312 1.00 0.00 N ATOM 38 CA SER A 5 20.346 3.187 16.289 1.00 0.00 C ATOM 39 C SER A 5 19.127 3.430 15.405 1.00 0.00 C ATOM 40 O SER A 5 18.156 2.674 15.446 1.00 0.00 O ATOM 41 CB SER A 5 21.531 2.740 15.431 1.00 0.00 C ATOM 42 OG SER A 5 21.228 1.550 14.723 1.00 0.00 O ATOM 0 H SER A 5 19.540 1.377 16.974 1.00 0.00 H new ATOM 0 HA SER A 5 20.601 4.121 16.790 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.792 3.530 14.726 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.402 2.578 16.065 1.00 0.00 H new ATOM 0 HG SER A 5 22.001 1.286 14.181 1.00 0.00 H new ATOM 48 N SER A 6 19.184 4.491 14.607 1.00 0.00 N ATOM 49 CA SER A 6 18.083 4.837 13.715 1.00 0.00 C ATOM 50 C SER A 6 18.518 4.748 12.255 1.00 0.00 C ATOM 51 O SER A 6 18.830 5.758 11.626 1.00 0.00 O ATOM 52 CB SER A 6 17.574 6.246 14.022 1.00 0.00 C ATOM 53 OG SER A 6 16.588 6.222 15.040 1.00 0.00 O ATOM 0 H SER A 6 19.981 5.126 14.560 1.00 0.00 H new ATOM 0 HA SER A 6 17.276 4.123 13.880 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.407 6.877 14.333 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.157 6.690 13.118 1.00 0.00 H new ATOM 0 HG SER A 6 16.280 7.135 15.219 1.00 0.00 H new ATOM 59 N GLY A 7 18.536 3.529 11.723 1.00 0.00 N ATOM 60 CA GLY A 7 18.934 3.330 10.342 1.00 0.00 C ATOM 61 C GLY A 7 17.817 3.642 9.365 1.00 0.00 C ATOM 62 O GLY A 7 16.722 4.032 9.769 1.00 0.00 O ATOM 0 H GLY A 7 18.282 2.677 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.794 3.963 10.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.254 2.297 10.205 1.00 0.00 H new ATOM 66 N MET A 8 18.095 3.473 8.077 1.00 0.00 N ATOM 67 CA MET A 8 17.104 3.740 7.040 1.00 0.00 C ATOM 68 C MET A 8 15.795 3.017 7.340 1.00 0.00 C ATOM 69 O MET A 8 15.730 1.789 7.294 1.00 0.00 O ATOM 70 CB MET A 8 17.637 3.310 5.672 1.00 0.00 C ATOM 71 CG MET A 8 17.088 4.134 4.519 1.00 0.00 C ATOM 72 SD MET A 8 18.006 5.664 4.259 1.00 0.00 S ATOM 73 CE MET A 8 19.636 5.021 3.887 1.00 0.00 C ATOM 0 H MET A 8 18.997 3.153 7.726 1.00 0.00 H new ATOM 0 HA MET A 8 16.910 4.813 7.025 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.724 3.384 5.675 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.390 2.261 5.508 1.00 0.00 H new ATOM 0 HG2 MET A 8 17.116 3.539 3.606 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.042 4.371 4.713 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.048 5.549 3.027 1.00 0.00 H new ATOM 0 HE2 MET A 8 20.289 5.164 4.748 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.564 3.958 3.659 1.00 0.00 H new ATOM 83 N GLU A 9 14.755 3.787 7.646 1.00 0.00 N ATOM 84 CA GLU A 9 13.449 3.217 7.954 1.00 0.00 C ATOM 85 C GLU A 9 13.007 2.247 6.862 1.00 0.00 C ATOM 86 O GLU A 9 13.450 2.320 5.715 1.00 0.00 O ATOM 87 CB GLU A 9 12.409 4.328 8.116 1.00 0.00 C ATOM 88 CG GLU A 9 12.507 5.066 9.441 1.00 0.00 C ATOM 89 CD GLU A 9 13.941 5.353 9.843 1.00 0.00 C ATOM 90 OE1 GLU A 9 14.556 6.257 9.241 1.00 0.00 O ATOM 91 OE2 GLU A 9 14.447 4.674 10.760 1.00 0.00 O ATOM 0 H GLU A 9 14.792 4.806 7.687 1.00 0.00 H new ATOM 0 HA GLU A 9 13.533 2.667 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.525 5.044 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.412 3.897 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.958 6.005 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.027 4.473 10.219 1.00 0.00 H new ATOM 98 N PRO A 10 12.113 1.316 7.224 1.00 0.00 N ATOM 99 CA PRO A 10 11.591 0.313 6.291 1.00 0.00 C ATOM 100 C PRO A 10 10.674 0.924 5.237 1.00 0.00 C ATOM 101 O PRO A 10 10.302 0.264 4.267 1.00 0.00 O ATOM 102 CB PRO A 10 10.806 -0.639 7.196 1.00 0.00 C ATOM 103 CG PRO A 10 10.421 0.188 8.373 1.00 0.00 C ATOM 104 CD PRO A 10 11.542 1.170 8.574 1.00 0.00 C ATOM 0 HA PRO A 10 12.387 -0.173 5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.928 -1.035 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.414 -1.493 7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.477 0.704 8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.283 -0.433 9.258 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.178 2.122 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.280 0.798 9.285 1.00 0.00 H new ATOM 112 N TRP A 11 10.313 2.187 5.434 1.00 0.00 N ATOM 113 CA TRP A 11 9.439 2.887 4.500 1.00 0.00 C ATOM 114 C TRP A 11 10.248 3.559 3.397 1.00 0.00 C ATOM 115 O TRP A 11 9.780 3.700 2.267 1.00 0.00 O ATOM 116 CB TRP A 11 8.597 3.928 5.239 1.00 0.00 C ATOM 117 CG TRP A 11 9.279 5.255 5.376 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.928 5.733 6.478 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.379 6.275 4.376 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.425 6.989 6.224 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.102 7.344 4.940 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.929 6.389 3.057 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.383 8.509 4.232 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.208 7.546 2.356 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.930 8.593 2.943 1.00 0.00 C ATOM 0 H TRP A 11 10.612 2.747 6.232 1.00 0.00 H new ATOM 0 HA TRP A 11 8.776 2.153 4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.654 4.065 4.709 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.353 3.549 6.231 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.035 5.202 7.412 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.949 7.564 6.884 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.373 5.587 2.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.939 9.318 4.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.863 7.645 1.337 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.133 9.484 2.367 1.00 0.00 H new ATOM 136 N LYS A 12 11.466 3.974 3.731 1.00 0.00 N ATOM 137 CA LYS A 12 12.342 4.631 2.769 1.00 0.00 C ATOM 138 C LYS A 12 12.547 3.758 1.535 1.00 0.00 C ATOM 139 O LYS A 12 12.436 4.231 0.404 1.00 0.00 O ATOM 140 CB LYS A 12 13.694 4.948 3.412 1.00 0.00 C ATOM 141 CG LYS A 12 13.579 5.673 4.742 1.00 0.00 C ATOM 142 CD LYS A 12 14.721 6.655 4.942 1.00 0.00 C ATOM 143 CE LYS A 12 14.279 7.868 5.746 1.00 0.00 C ATOM 144 NZ LYS A 12 15.423 8.763 6.075 1.00 0.00 N ATOM 0 H LYS A 12 11.869 3.866 4.662 1.00 0.00 H new ATOM 0 HA LYS A 12 11.866 5.562 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.243 4.018 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.280 5.558 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.629 6.205 4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.576 4.946 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.544 6.158 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.098 6.978 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.533 8.426 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.800 7.538 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.080 9.578 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.124 8.238 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.865 9.099 5.196 1.00 0.00 H new ATOM 158 N GLN A 13 12.844 2.482 1.761 1.00 0.00 N ATOM 159 CA GLN A 13 13.063 1.544 0.666 1.00 0.00 C ATOM 160 C GLN A 13 11.745 1.174 -0.005 1.00 0.00 C ATOM 161 O GLN A 13 11.665 1.087 -1.231 1.00 0.00 O ATOM 162 CB GLN A 13 13.759 0.283 1.180 1.00 0.00 C ATOM 163 CG GLN A 13 12.957 -0.471 2.228 1.00 0.00 C ATOM 164 CD GLN A 13 13.818 -1.391 3.072 1.00 0.00 C ATOM 165 OE1 GLN A 13 14.876 -0.994 3.561 1.00 0.00 O ATOM 166 NE2 GLN A 13 13.368 -2.628 3.247 1.00 0.00 N ATOM 0 H GLN A 13 12.938 2.075 2.691 1.00 0.00 H new ATOM 0 HA GLN A 13 13.702 2.028 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.957 -0.381 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.725 0.558 1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.452 0.244 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.182 -1.057 1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.486 -2.914 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.905 -3.292 3.805 1.00 0.00 H new ATOM 175 N CYS A 14 10.715 0.956 0.804 1.00 0.00 N ATOM 176 CA CYS A 14 9.400 0.593 0.288 1.00 0.00 C ATOM 177 C CYS A 14 8.959 1.562 -0.805 1.00 0.00 C ATOM 178 O CYS A 14 8.374 1.156 -1.808 1.00 0.00 O ATOM 179 CB CYS A 14 8.371 0.580 1.420 1.00 0.00 C ATOM 180 SG CYS A 14 6.751 -0.061 0.936 1.00 0.00 S ATOM 0 H CYS A 14 10.765 1.024 1.820 1.00 0.00 H new ATOM 0 HA CYS A 14 9.469 -0.406 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.758 -0.023 2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.250 1.595 1.799 1.00 0.00 H new ATOM 0 HG CYS A 14 6.587 0.096 -0.344 1.00 0.00 H new ATOM 186 N ALA A 15 9.242 2.844 -0.601 1.00 0.00 N ATOM 187 CA ALA A 15 8.875 3.871 -1.569 1.00 0.00 C ATOM 188 C ALA A 15 9.282 3.464 -2.981 1.00 0.00 C ATOM 189 O ALA A 15 8.494 3.575 -3.919 1.00 0.00 O ATOM 190 CB ALA A 15 9.514 5.200 -1.196 1.00 0.00 C ATOM 0 H ALA A 15 9.724 3.197 0.226 1.00 0.00 H new ATOM 0 HA ALA A 15 7.791 3.984 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.232 5.957 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.170 5.504 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.599 5.092 -1.186 1.00 0.00 H new ATOM 196 N GLN A 16 10.517 2.995 -3.124 1.00 0.00 N ATOM 197 CA GLN A 16 11.028 2.573 -4.423 1.00 0.00 C ATOM 198 C GLN A 16 10.090 1.563 -5.075 1.00 0.00 C ATOM 199 O GLN A 16 9.534 1.818 -6.143 1.00 0.00 O ATOM 200 CB GLN A 16 12.425 1.968 -4.273 1.00 0.00 C ATOM 201 CG GLN A 16 13.480 2.972 -3.838 1.00 0.00 C ATOM 202 CD GLN A 16 13.845 3.949 -4.938 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.783 3.719 -5.702 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.104 5.048 -5.024 1.00 0.00 N ATOM 0 H GLN A 16 11.182 2.898 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 16 11.088 3.452 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.385 1.158 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.725 1.527 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.115 3.525 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.375 2.438 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.336 5.198 -4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.303 5.742 -5.744 1.00 0.00 H new ATOM 213 N TRP A 17 9.920 0.417 -4.426 1.00 0.00 N ATOM 214 CA TRP A 17 9.049 -0.632 -4.944 1.00 0.00 C ATOM 215 C TRP A 17 7.794 -0.037 -5.572 1.00 0.00 C ATOM 216 O TRP A 17 7.398 -0.418 -6.674 1.00 0.00 O ATOM 217 CB TRP A 17 8.665 -1.602 -3.826 1.00 0.00 C ATOM 218 CG TRP A 17 7.906 -2.800 -4.313 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.361 -3.769 -5.160 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.558 -3.152 -3.983 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.377 -4.704 -5.377 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.262 -4.348 -4.665 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.573 -2.575 -3.176 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.022 -4.975 -4.565 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.344 -3.198 -3.078 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.077 -4.388 -3.768 1.00 0.00 C ATOM 0 H TRP A 17 10.373 0.190 -3.541 1.00 0.00 H new ATOM 0 HA TRP A 17 9.595 -1.176 -5.715 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.570 -1.936 -3.318 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.061 -1.074 -3.088 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.349 -3.797 -5.596 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.463 -5.529 -5.971 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.769 -1.659 -2.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.814 -5.891 -5.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.575 -2.760 -2.459 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.106 -4.851 -3.669 1.00 0.00 H new ATOM 237 N LEU A 18 7.170 0.899 -4.864 1.00 0.00 N ATOM 238 CA LEU A 18 5.958 1.547 -5.353 1.00 0.00 C ATOM 239 C LEU A 18 6.202 2.207 -6.707 1.00 0.00 C ATOM 240 O LEU A 18 5.462 1.974 -7.663 1.00 0.00 O ATOM 241 CB LEU A 18 5.472 2.590 -4.345 1.00 0.00 C ATOM 242 CG LEU A 18 4.898 2.043 -3.038 1.00 0.00 C ATOM 243 CD1 LEU A 18 4.976 3.093 -1.940 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.461 1.584 -3.237 1.00 0.00 C ATOM 0 H LEU A 18 7.483 1.226 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 18 5.190 0.783 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.306 3.250 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.709 3.203 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 18 5.495 1.183 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.563 2.686 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.017 3.374 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.404 3.972 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.069 1.198 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.852 2.426 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.431 0.799 -3.992 1.00 0.00 H new ATOM 256 N ILE A 19 7.243 3.028 -6.780 1.00 0.00 N ATOM 257 CA ILE A 19 7.586 3.718 -8.018 1.00 0.00 C ATOM 258 C ILE A 19 7.755 2.732 -9.168 1.00 0.00 C ATOM 259 O ILE A 19 7.272 2.966 -10.277 1.00 0.00 O ATOM 260 CB ILE A 19 8.880 4.539 -7.865 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.759 5.508 -6.687 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.183 5.294 -9.151 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.029 6.283 -6.410 1.00 0.00 C ATOM 0 H ILE A 19 7.864 3.232 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 19 6.761 4.394 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 19 9.705 3.856 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.950 6.211 -6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.482 4.948 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.100 5.870 -9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.307 4.584 -9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.359 5.970 -9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.871 6.950 -5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.836 5.588 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.296 6.870 -7.289 1.00 0.00 H new ATOM 275 N HIS A 20 8.443 1.627 -8.897 1.00 0.00 N ATOM 276 CA HIS A 20 8.674 0.603 -9.909 1.00 0.00 C ATOM 277 C HIS A 20 7.401 -0.194 -10.177 1.00 0.00 C ATOM 278 O HIS A 20 7.202 -0.715 -11.275 1.00 0.00 O ATOM 279 CB HIS A 20 9.795 -0.339 -9.466 1.00 0.00 C ATOM 280 CG HIS A 20 11.165 0.157 -9.812 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.848 -0.245 -10.941 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.979 1.028 -9.172 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.024 0.356 -10.978 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.128 1.134 -9.917 1.00 0.00 N ATOM 0 H HIS A 20 8.850 1.418 -7.985 1.00 0.00 H new ATOM 0 HA HIS A 20 8.971 1.101 -10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.732 -0.484 -8.388 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.643 -1.314 -9.928 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.765 1.544 -8.248 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.773 0.232 -11.746 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.931 1.719 -9.687 1.00 0.00 H new ATOM 293 N CYS A 21 6.542 -0.284 -9.167 1.00 0.00 N ATOM 294 CA CYS A 21 5.288 -1.019 -9.293 1.00 0.00 C ATOM 295 C CYS A 21 4.293 -0.252 -10.158 1.00 0.00 C ATOM 296 O CYS A 21 3.157 -0.685 -10.350 1.00 0.00 O ATOM 297 CB CYS A 21 4.686 -1.281 -7.912 1.00 0.00 C ATOM 298 SG CYS A 21 5.496 -2.610 -6.993 1.00 0.00 S ATOM 0 H CYS A 21 6.691 0.143 -8.253 1.00 0.00 H new ATOM 0 HA CYS A 21 5.501 -1.973 -9.775 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.738 -0.364 -7.325 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.630 -1.526 -8.028 1.00 0.00 H new ATOM 0 HG CYS A 21 5.546 -2.298 -5.732 1.00 0.00 H new ATOM 304 N LYS A 22 4.728 0.891 -10.678 1.00 0.00 N ATOM 305 CA LYS A 22 3.876 1.720 -11.523 1.00 0.00 C ATOM 306 C LYS A 22 2.705 2.287 -10.727 1.00 0.00 C ATOM 307 O LYS A 22 1.561 2.255 -11.179 1.00 0.00 O ATOM 308 CB LYS A 22 3.354 0.908 -12.710 1.00 0.00 C ATOM 309 CG LYS A 22 4.453 0.253 -13.529 1.00 0.00 C ATOM 310 CD LYS A 22 5.230 1.277 -14.340 1.00 0.00 C ATOM 311 CE LYS A 22 5.795 0.667 -15.613 1.00 0.00 C ATOM 312 NZ LYS A 22 4.824 0.738 -16.740 1.00 0.00 N ATOM 0 H LYS A 22 5.665 1.264 -10.529 1.00 0.00 H new ATOM 0 HA LYS A 22 4.475 2.551 -11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.678 0.136 -12.342 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.770 1.562 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.134 -0.280 -12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.016 -0.488 -14.199 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.578 2.112 -14.594 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.043 1.680 -13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.711 1.188 -15.890 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.063 -0.373 -15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.246 0.312 -17.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.959 0.219 -16.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.588 1.732 -16.932 1.00 0.00 H new ATOM 326 N VAL A 23 2.999 2.805 -9.539 1.00 0.00 N ATOM 327 CA VAL A 23 1.971 3.381 -8.680 1.00 0.00 C ATOM 328 C VAL A 23 2.299 4.827 -8.323 1.00 0.00 C ATOM 329 O VAL A 23 1.403 5.635 -8.077 1.00 0.00 O ATOM 330 CB VAL A 23 1.803 2.569 -7.382 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.438 1.126 -7.699 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.072 2.635 -6.546 1.00 0.00 C ATOM 0 H VAL A 23 3.941 2.838 -9.149 1.00 0.00 H new ATOM 0 HA VAL A 23 1.037 3.351 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 23 0.990 3.006 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.323 0.567 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.501 1.102 -8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.228 0.674 -8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.936 2.056 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.905 2.224 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.285 3.673 -6.290 1.00 0.00 H new ATOM 342 N LEU A 24 3.588 5.146 -8.298 1.00 0.00 N ATOM 343 CA LEU A 24 4.036 6.495 -7.971 1.00 0.00 C ATOM 344 C LEU A 24 5.095 6.972 -8.960 1.00 0.00 C ATOM 345 O LEU A 24 5.843 6.181 -9.535 1.00 0.00 O ATOM 346 CB LEU A 24 4.595 6.538 -6.548 1.00 0.00 C ATOM 347 CG LEU A 24 3.584 6.316 -5.423 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.299 6.107 -4.097 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.621 7.491 -5.332 1.00 0.00 C ATOM 0 H LEU A 24 4.342 4.489 -8.500 1.00 0.00 H new ATOM 0 HA LEU A 24 3.177 7.162 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.375 5.782 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.072 7.506 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 24 3.009 5.418 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.564 5.951 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.948 5.234 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.899 6.987 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.908 7.316 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.180 8.405 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.084 7.595 -6.275 1.00 0.00 H new ATOM 361 N PRO A 25 5.162 8.296 -9.164 1.00 0.00 N ATOM 362 CA PRO A 25 6.127 8.908 -10.081 1.00 0.00 C ATOM 363 C PRO A 25 7.559 8.816 -9.563 1.00 0.00 C ATOM 364 O PRO A 25 7.787 8.673 -8.361 1.00 0.00 O ATOM 365 CB PRO A 25 5.676 10.369 -10.148 1.00 0.00 C ATOM 366 CG PRO A 25 4.959 10.603 -8.864 1.00 0.00 C ATOM 367 CD PRO A 25 4.301 9.297 -8.513 1.00 0.00 C ATOM 0 HA PRO A 25 6.142 8.407 -11.049 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.527 11.042 -10.254 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.023 10.543 -11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.651 10.914 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.219 11.397 -8.969 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.255 9.147 -7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.278 9.250 -8.885 1.00 0.00 H new ATOM 375 N THR A 26 8.521 8.900 -10.476 1.00 0.00 N ATOM 376 CA THR A 26 9.930 8.826 -10.111 1.00 0.00 C ATOM 377 C THR A 26 10.347 10.033 -9.279 1.00 0.00 C ATOM 378 O THR A 26 11.243 9.942 -8.442 1.00 0.00 O ATOM 379 CB THR A 26 10.829 8.741 -11.359 1.00 0.00 C ATOM 380 OG1 THR A 26 10.710 9.941 -12.131 1.00 0.00 O ATOM 381 CG2 THR A 26 10.455 7.541 -12.216 1.00 0.00 C ATOM 0 H THR A 26 8.350 9.019 -11.474 1.00 0.00 H new ATOM 0 HA THR A 26 10.056 7.920 -9.519 1.00 0.00 H new ATOM 0 HB THR A 26 11.861 8.623 -11.028 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.936 10.713 -11.572 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.104 7.503 -13.091 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.575 6.627 -11.635 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.417 7.633 -12.537 1.00 0.00 H new ATOM 389 N ASN A 27 9.689 11.164 -9.515 1.00 0.00 N ATOM 390 CA ASN A 27 9.992 12.390 -8.786 1.00 0.00 C ATOM 391 C ASN A 27 8.906 12.695 -7.759 1.00 0.00 C ATOM 392 O ASN A 27 8.707 13.847 -7.372 1.00 0.00 O ATOM 393 CB ASN A 27 10.135 13.564 -9.757 1.00 0.00 C ATOM 394 CG ASN A 27 11.093 13.261 -10.893 1.00 0.00 C ATOM 395 OD1 ASN A 27 10.707 12.679 -11.907 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.350 13.655 -10.727 1.00 0.00 N ATOM 0 H ASN A 27 8.943 11.256 -10.205 1.00 0.00 H new ATOM 0 HA ASN A 27 10.935 12.246 -8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.157 13.814 -10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.486 14.441 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.040 13.478 -11.457 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.625 14.134 -9.870 1.00 0.00 H new ATOM 403 N HIS A 28 8.205 11.654 -7.320 1.00 0.00 N ATOM 404 CA HIS A 28 7.140 11.810 -6.336 1.00 0.00 C ATOM 405 C HIS A 28 7.639 12.567 -5.109 1.00 0.00 C ATOM 406 O HIS A 28 8.802 12.967 -5.046 1.00 0.00 O ATOM 407 CB HIS A 28 6.597 10.442 -5.920 1.00 0.00 C ATOM 408 CG HIS A 28 5.176 10.480 -5.450 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.092 11.114 -5.956 1.00 0.00 N flip ATOM 410 CD2 HIS A 28 4.736 9.809 -4.328 1.00 0.00 C flip ATOM 411 CE1 HIS A 28 3.028 10.817 -5.140 1.00 0.00 C flip ATOM 412 NE2 HIS A 28 3.443 10.028 -4.165 1.00 0.00 N flip ATOM 0 H HIS A 28 8.355 10.694 -7.630 1.00 0.00 H new ATOM 0 HA HIS A 28 6.337 12.387 -6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.673 9.758 -6.765 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.223 10.038 -5.125 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.352 9.200 -3.683 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.016 11.171 -5.274 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.864 9.652 -3.414 1.00 0.00 H new ATOM 421 N ARG A 29 6.753 12.760 -4.137 1.00 0.00 N ATOM 422 CA ARG A 29 7.104 13.470 -2.914 1.00 0.00 C ATOM 423 C ARG A 29 7.710 12.518 -1.887 1.00 0.00 C ATOM 424 O ARG A 29 8.587 12.900 -1.112 1.00 0.00 O ATOM 425 CB ARG A 29 5.870 14.155 -2.324 1.00 0.00 C ATOM 426 CG ARG A 29 4.770 13.186 -1.922 1.00 0.00 C ATOM 427 CD ARG A 29 3.398 13.839 -1.994 1.00 0.00 C ATOM 428 NE ARG A 29 3.222 14.857 -0.962 1.00 0.00 N ATOM 429 CZ ARG A 29 2.329 15.837 -1.041 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.534 15.930 -2.098 1.00 0.00 N ATOM 431 NH2 ARG A 29 2.228 16.726 -0.061 1.00 0.00 N ATOM 0 H ARG A 29 5.787 12.434 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 29 7.847 14.227 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.169 14.735 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.473 14.860 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.794 12.315 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.951 12.828 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.263 14.292 -2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.627 13.076 -1.886 1.00 0.00 H new ATOM 0 HE ARG A 29 3.818 14.813 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.607 15.248 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.849 16.684 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.837 16.657 0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.542 17.478 -0.123 1.00 0.00 H new ATOM 445 N VAL A 30 7.235 11.276 -1.886 1.00 0.00 N ATOM 446 CA VAL A 30 7.730 10.269 -0.955 1.00 0.00 C ATOM 447 C VAL A 30 9.202 9.964 -1.207 1.00 0.00 C ATOM 448 O VAL A 30 9.882 9.385 -0.359 1.00 0.00 O ATOM 449 CB VAL A 30 6.921 8.962 -1.061 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.430 9.248 -0.967 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.253 8.234 -2.355 1.00 0.00 C ATOM 0 H VAL A 30 6.508 10.943 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 30 7.614 10.680 0.048 1.00 0.00 H new ATOM 0 HB VAL A 30 7.195 8.316 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.875 8.313 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.210 9.723 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.135 9.913 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.673 7.313 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.008 8.872 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.316 7.995 -2.375 1.00 0.00 H new ATOM 461 N THR A 31 9.691 10.359 -2.378 1.00 0.00 N ATOM 462 CA THR A 31 11.083 10.128 -2.742 1.00 0.00 C ATOM 463 C THR A 31 12.001 11.151 -2.082 1.00 0.00 C ATOM 464 O THR A 31 13.178 10.880 -1.844 1.00 0.00 O ATOM 465 CB THR A 31 11.282 10.187 -4.269 1.00 0.00 C ATOM 466 OG1 THR A 31 10.937 11.487 -4.758 1.00 0.00 O ATOM 467 CG2 THR A 31 10.432 9.135 -4.966 1.00 0.00 C ATOM 0 H THR A 31 9.143 10.841 -3.091 1.00 0.00 H new ATOM 0 HA THR A 31 11.341 9.130 -2.387 1.00 0.00 H new ATOM 0 HB THR A 31 12.331 9.985 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.967 11.613 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.589 9.196 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.718 8.144 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.380 9.311 -4.742 1.00 0.00 H new ATOM 475 N TRP A 32 11.456 12.326 -1.789 1.00 0.00 N ATOM 476 CA TRP A 32 12.227 13.389 -1.155 1.00 0.00 C ATOM 477 C TRP A 32 12.628 13.000 0.263 1.00 0.00 C ATOM 478 O TRP A 32 11.831 12.430 1.009 1.00 0.00 O ATOM 479 CB TRP A 32 11.420 14.688 -1.132 1.00 0.00 C ATOM 480 CG TRP A 32 11.199 15.275 -2.493 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.693 14.636 -3.589 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.480 16.618 -2.903 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.643 15.501 -4.656 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.119 16.723 -4.260 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.000 17.742 -2.255 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.263 17.907 -4.979 1.00 0.00 C ATOM 487 CZ3 TRP A 32 12.142 18.916 -2.970 1.00 0.00 C ATOM 488 CH2 TRP A 32 11.774 18.992 -4.319 1.00 0.00 C ATOM 0 H TRP A 32 10.483 12.567 -1.980 1.00 0.00 H new ATOM 0 HA TRP A 32 13.134 13.543 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.454 14.499 -0.665 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.938 15.418 -0.509 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.378 13.603 -3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.306 15.270 -5.591 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.286 17.694 -1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.982 17.967 -6.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.544 19.790 -2.480 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.896 19.925 -4.849 1.00 0.00 H new ATOM 499 N ASP A 33 13.866 13.310 0.630 1.00 0.00 N ATOM 500 CA ASP A 33 14.372 12.993 1.960 1.00 0.00 C ATOM 501 C ASP A 33 13.489 13.613 3.039 1.00 0.00 C ATOM 502 O ASP A 33 13.379 13.084 4.145 1.00 0.00 O ATOM 503 CB ASP A 33 15.811 13.490 2.114 1.00 0.00 C ATOM 504 CG ASP A 33 16.328 13.337 3.531 1.00 0.00 C ATOM 505 OD1 ASP A 33 15.738 13.949 4.446 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.322 12.606 3.725 1.00 0.00 O ATOM 0 H ASP A 33 14.538 13.781 0.025 1.00 0.00 H new ATOM 0 HA ASP A 33 14.355 11.910 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.458 12.937 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.863 14.539 1.823 1.00 0.00 H new ATOM 511 N SER A 34 12.863 14.738 2.710 1.00 0.00 N ATOM 512 CA SER A 34 11.993 15.433 3.652 1.00 0.00 C ATOM 513 C SER A 34 10.753 14.600 3.962 1.00 0.00 C ATOM 514 O SER A 34 10.197 14.679 5.057 1.00 0.00 O ATOM 515 CB SER A 34 11.579 16.794 3.089 1.00 0.00 C ATOM 516 OG SER A 34 12.671 17.697 3.084 1.00 0.00 O ATOM 0 H SER A 34 12.942 15.188 1.798 1.00 0.00 H new ATOM 0 HA SER A 34 12.549 15.585 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.200 16.671 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.765 17.206 3.686 1.00 0.00 H new ATOM 0 HG SER A 34 12.381 18.559 2.718 1.00 0.00 H new ATOM 522 N ALA A 35 10.325 13.802 2.989 1.00 0.00 N ATOM 523 CA ALA A 35 9.153 12.952 3.158 1.00 0.00 C ATOM 524 C ALA A 35 9.350 11.965 4.303 1.00 0.00 C ATOM 525 O ALA A 35 10.479 11.684 4.703 1.00 0.00 O ATOM 526 CB ALA A 35 8.848 12.210 1.865 1.00 0.00 C ATOM 0 H ALA A 35 10.773 13.727 2.076 1.00 0.00 H new ATOM 0 HA ALA A 35 8.305 13.591 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.970 11.579 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.654 12.930 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.701 11.589 1.592 1.00 0.00 H new ATOM 532 N GLN A 36 8.245 11.443 4.825 1.00 0.00 N ATOM 533 CA GLN A 36 8.297 10.488 5.926 1.00 0.00 C ATOM 534 C GLN A 36 7.138 9.501 5.846 1.00 0.00 C ATOM 535 O GLN A 36 6.184 9.707 5.096 1.00 0.00 O ATOM 536 CB GLN A 36 8.267 11.222 7.268 1.00 0.00 C ATOM 537 CG GLN A 36 9.451 12.151 7.480 1.00 0.00 C ATOM 538 CD GLN A 36 9.229 13.128 8.618 1.00 0.00 C ATOM 539 OE1 GLN A 36 8.253 13.879 8.625 1.00 0.00 O ATOM 540 NE2 GLN A 36 10.136 13.124 9.588 1.00 0.00 N ATOM 0 H GLN A 36 7.303 11.665 4.503 1.00 0.00 H new ATOM 0 HA GLN A 36 9.230 9.931 5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.345 11.800 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.243 10.488 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.342 11.557 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.642 12.706 6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.929 12.485 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.039 13.760 10.379 1.00 0.00 H new ATOM 549 N VAL A 37 7.227 8.427 6.624 1.00 0.00 N ATOM 550 CA VAL A 37 6.184 7.408 6.642 1.00 0.00 C ATOM 551 C VAL A 37 4.807 8.026 6.430 1.00 0.00 C ATOM 552 O VAL A 37 4.024 7.556 5.605 1.00 0.00 O ATOM 553 CB VAL A 37 6.186 6.627 7.970 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.266 5.556 7.959 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.375 7.575 9.145 1.00 0.00 C ATOM 0 H VAL A 37 8.010 8.240 7.250 1.00 0.00 H new ATOM 0 HA VAL A 37 6.399 6.720 5.824 1.00 0.00 H new ATOM 0 HB VAL A 37 5.221 6.133 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.252 5.015 8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.080 4.860 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.241 6.024 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.374 7.006 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.325 8.099 9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.561 8.300 9.162 1.00 0.00 H new ATOM 565 N PHE A 38 4.518 9.084 7.181 1.00 0.00 N ATOM 566 CA PHE A 38 3.234 9.767 7.076 1.00 0.00 C ATOM 567 C PHE A 38 2.912 10.099 5.622 1.00 0.00 C ATOM 568 O PHE A 38 1.895 9.659 5.084 1.00 0.00 O ATOM 569 CB PHE A 38 3.244 11.049 7.912 1.00 0.00 C ATOM 570 CG PHE A 38 1.892 11.428 8.445 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.739 11.058 7.772 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.774 12.153 9.620 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.506 11.406 8.259 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.531 12.504 10.113 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.610 12.129 9.432 1.00 0.00 C ATOM 0 H PHE A 38 5.155 9.487 7.868 1.00 0.00 H new ATOM 0 HA PHE A 38 2.463 9.098 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.933 10.923 8.747 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.628 11.867 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.814 10.491 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.664 12.447 10.157 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.397 11.113 7.724 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.453 13.071 11.029 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.582 12.400 9.816 1.00 0.00 H new ATOM 585 N ASP A 39 3.784 10.878 4.991 1.00 0.00 N ATOM 586 CA ASP A 39 3.594 11.269 3.599 1.00 0.00 C ATOM 587 C ASP A 39 3.158 10.076 2.755 1.00 0.00 C ATOM 588 O ASP A 39 2.100 10.100 2.125 1.00 0.00 O ATOM 589 CB ASP A 39 4.884 11.866 3.034 1.00 0.00 C ATOM 590 CG ASP A 39 5.159 13.258 3.567 1.00 0.00 C ATOM 591 OD1 ASP A 39 4.747 13.548 4.710 1.00 0.00 O ATOM 592 OD2 ASP A 39 5.785 14.059 2.841 1.00 0.00 O ATOM 0 H ASP A 39 4.630 11.251 5.422 1.00 0.00 H new ATOM 0 HA ASP A 39 2.808 12.023 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.722 11.214 3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.818 11.903 1.947 1.00 0.00 H new ATOM 597 N LEU A 40 3.981 9.033 2.745 1.00 0.00 N ATOM 598 CA LEU A 40 3.682 7.829 1.976 1.00 0.00 C ATOM 599 C LEU A 40 2.476 7.098 2.557 1.00 0.00 C ATOM 600 O LEU A 40 1.861 6.268 1.889 1.00 0.00 O ATOM 601 CB LEU A 40 4.896 6.899 1.955 1.00 0.00 C ATOM 602 CG LEU A 40 4.653 5.490 1.412 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.295 5.541 -0.065 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.876 4.614 1.636 1.00 0.00 C ATOM 0 H LEU A 40 4.860 8.996 3.260 1.00 0.00 H new ATOM 0 HA LEU A 40 3.445 8.129 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.677 7.368 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.281 6.814 2.971 1.00 0.00 H new ATOM 0 HG LEU A 40 3.814 5.053 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.126 4.529 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.389 6.132 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.113 5.998 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.685 3.615 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.734 5.048 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.087 4.550 2.703 1.00 0.00 H new ATOM 616 N ALA A 41 2.144 7.413 3.805 1.00 0.00 N ATOM 617 CA ALA A 41 1.010 6.789 4.474 1.00 0.00 C ATOM 618 C ALA A 41 -0.293 7.499 4.123 1.00 0.00 C ATOM 619 O ALA A 41 -1.364 6.892 4.140 1.00 0.00 O ATOM 620 CB ALA A 41 1.222 6.787 5.981 1.00 0.00 C ATOM 0 H ALA A 41 2.645 8.097 4.373 1.00 0.00 H new ATOM 0 HA ALA A 41 0.937 5.758 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.367 6.318 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.127 6.229 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.324 7.813 6.335 1.00 0.00 H new ATOM 626 N GLN A 42 -0.194 8.785 3.805 1.00 0.00 N ATOM 627 CA GLN A 42 -1.367 9.577 3.451 1.00 0.00 C ATOM 628 C GLN A 42 -1.847 9.238 2.044 1.00 0.00 C ATOM 629 O GLN A 42 -3.020 8.923 1.835 1.00 0.00 O ATOM 630 CB GLN A 42 -1.048 11.070 3.548 1.00 0.00 C ATOM 631 CG GLN A 42 -0.529 11.493 4.913 1.00 0.00 C ATOM 632 CD GLN A 42 -0.882 12.928 5.252 1.00 0.00 C ATOM 633 OE1 GLN A 42 -2.012 13.368 5.040 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.086 13.667 5.781 1.00 0.00 N ATOM 0 H GLN A 42 0.685 9.301 3.785 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.164 9.336 4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.306 11.325 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.947 11.641 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.941 10.832 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.554 11.373 4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.008 13.262 5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.093 14.640 6.029 1.00 0.00 H new ATOM 643 N THR A 43 -0.935 9.304 1.080 1.00 0.00 N ATOM 644 CA THR A 43 -1.265 9.006 -0.308 1.00 0.00 C ATOM 645 C THR A 43 -2.048 7.702 -0.419 1.00 0.00 C ATOM 646 O THR A 43 -2.809 7.501 -1.367 1.00 0.00 O ATOM 647 CB THR A 43 0.001 8.907 -1.179 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.350 8.990 -2.565 1.00 0.00 O ATOM 649 CG2 THR A 43 0.740 7.604 -0.914 1.00 0.00 C ATOM 0 H THR A 43 0.040 9.562 1.235 1.00 0.00 H new ATOM 0 HA THR A 43 -1.881 9.829 -0.669 1.00 0.00 H new ATOM 0 HB THR A 43 0.658 9.737 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.461 8.928 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.631 7.557 -1.541 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.032 7.558 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.088 6.762 -1.146 1.00 0.00 H new ATOM 657 N LEU A 44 -1.857 6.819 0.554 1.00 0.00 N ATOM 658 CA LEU A 44 -2.545 5.533 0.567 1.00 0.00 C ATOM 659 C LEU A 44 -3.706 5.546 1.556 1.00 0.00 C ATOM 660 O LEU A 44 -4.701 4.846 1.371 1.00 0.00 O ATOM 661 CB LEU A 44 -1.568 4.412 0.925 1.00 0.00 C ATOM 662 CG LEU A 44 -0.285 4.350 0.095 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.721 3.408 0.738 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.591 3.914 -1.330 1.00 0.00 C ATOM 0 H LEU A 44 -1.231 6.970 1.345 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.944 5.353 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.293 4.518 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.088 3.459 0.826 1.00 0.00 H new ATOM 0 HG LEU A 44 0.152 5.348 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.628 3.376 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.964 3.764 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.293 2.408 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.334 3.876 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.052 2.926 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.275 4.627 -1.790 1.00 0.00 H new ATOM 676 N ARG A 45 -3.572 6.350 2.607 1.00 0.00 N ATOM 677 CA ARG A 45 -4.610 6.455 3.625 1.00 0.00 C ATOM 678 C ARG A 45 -5.996 6.481 2.988 1.00 0.00 C ATOM 679 O ARG A 45 -6.951 5.925 3.531 1.00 0.00 O ATOM 680 CB ARG A 45 -4.401 7.714 4.468 1.00 0.00 C ATOM 681 CG ARG A 45 -5.478 7.930 5.518 1.00 0.00 C ATOM 682 CD ARG A 45 -5.659 9.406 5.836 1.00 0.00 C ATOM 683 NE ARG A 45 -6.823 9.645 6.684 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.206 10.852 7.084 1.00 0.00 C ATOM 685 NH1 ARG A 45 -6.521 11.925 6.714 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.277 10.989 7.856 1.00 0.00 N ATOM 0 H ARG A 45 -2.755 6.937 2.775 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.542 5.579 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.431 7.653 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.369 8.581 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.421 7.515 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.214 7.391 6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.765 9.782 6.334 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.766 9.966 4.907 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.372 8.840 6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.697 11.825 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.818 12.851 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.807 10.166 8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.570 11.917 8.162 1.00 0.00 H new ATOM 700 N ASP A 46 -6.099 7.131 1.834 1.00 0.00 N ATOM 701 CA ASP A 46 -7.368 7.230 1.122 1.00 0.00 C ATOM 702 C ASP A 46 -7.865 5.849 0.705 1.00 0.00 C ATOM 703 O ASP A 46 -8.997 5.470 1.004 1.00 0.00 O ATOM 704 CB ASP A 46 -7.218 8.125 -0.109 1.00 0.00 C ATOM 705 CG ASP A 46 -6.959 9.573 0.257 1.00 0.00 C ATOM 706 OD1 ASP A 46 -7.910 10.254 0.693 1.00 0.00 O ATOM 707 OD2 ASP A 46 -5.804 10.026 0.106 1.00 0.00 O ATOM 0 H ASP A 46 -5.319 7.597 1.371 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.102 7.673 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.398 7.757 -0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.123 8.062 -0.713 1.00 0.00 H new ATOM 712 N GLY A 47 -7.012 5.103 0.011 1.00 0.00 N ATOM 713 CA GLY A 47 -7.384 3.773 -0.437 1.00 0.00 C ATOM 714 C GLY A 47 -7.692 3.727 -1.921 1.00 0.00 C ATOM 715 O GLY A 47 -8.424 2.852 -2.383 1.00 0.00 O ATOM 0 H GLY A 47 -6.070 5.395 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.574 3.078 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.256 3.435 0.123 1.00 0.00 H new ATOM 719 N VAL A 48 -7.133 4.672 -2.670 1.00 0.00 N ATOM 720 CA VAL A 48 -7.352 4.735 -4.110 1.00 0.00 C ATOM 721 C VAL A 48 -6.150 4.192 -4.873 1.00 0.00 C ATOM 722 O VAL A 48 -6.299 3.559 -5.920 1.00 0.00 O ATOM 723 CB VAL A 48 -7.630 6.178 -4.572 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.895 6.218 -6.069 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.801 6.768 -3.800 1.00 0.00 C ATOM 0 H VAL A 48 -6.525 5.404 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.224 4.117 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.747 6.783 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.089 7.245 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.024 5.838 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.762 5.599 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.984 7.788 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.692 6.164 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.568 6.776 -2.735 1.00 0.00 H new ATOM 735 N LEU A 49 -4.957 4.443 -4.344 1.00 0.00 N ATOM 736 CA LEU A 49 -3.727 3.978 -4.975 1.00 0.00 C ATOM 737 C LEU A 49 -3.500 2.495 -4.699 1.00 0.00 C ATOM 738 O LEU A 49 -3.348 1.696 -5.624 1.00 0.00 O ATOM 739 CB LEU A 49 -2.533 4.791 -4.472 1.00 0.00 C ATOM 740 CG LEU A 49 -1.218 4.589 -5.225 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.424 4.779 -6.720 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.154 5.545 -4.706 1.00 0.00 C ATOM 0 H LEU A 49 -4.816 4.966 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.825 4.117 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.795 5.848 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.369 4.546 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.876 3.568 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.477 4.631 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.153 4.054 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.789 5.788 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.775 5.387 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.488 6.573 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.014 5.361 -3.645 1.00 0.00 H new ATOM 754 N LEU A 50 -3.478 2.133 -3.421 1.00 0.00 N ATOM 755 CA LEU A 50 -3.272 0.746 -3.022 1.00 0.00 C ATOM 756 C LEU A 50 -3.929 -0.210 -4.013 1.00 0.00 C ATOM 757 O LEU A 50 -3.262 -1.056 -4.610 1.00 0.00 O ATOM 758 CB LEU A 50 -3.834 0.509 -1.619 1.00 0.00 C ATOM 759 CG LEU A 50 -2.865 0.742 -0.459 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.587 0.615 0.873 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.701 -0.235 -0.532 1.00 0.00 C ATOM 0 H LEU A 50 -3.600 2.781 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.199 0.552 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.698 1.159 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.196 -0.518 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.469 1.754 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.882 0.784 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.386 1.355 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.012 -0.385 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.022 -0.055 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.079 -1.256 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.167 -0.095 -1.472 1.00 0.00 H new ATOM 773 N CYS A 51 -5.238 -0.067 -4.185 1.00 0.00 N ATOM 774 CA CYS A 51 -5.986 -0.917 -5.105 1.00 0.00 C ATOM 775 C CYS A 51 -5.280 -1.008 -6.455 1.00 0.00 C ATOM 776 O CYS A 51 -5.195 -2.082 -7.049 1.00 0.00 O ATOM 777 CB CYS A 51 -7.404 -0.377 -5.293 1.00 0.00 C ATOM 778 SG CYS A 51 -8.402 -0.385 -3.785 1.00 0.00 S ATOM 0 H CYS A 51 -5.804 0.629 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.041 -1.917 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.346 0.643 -5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.910 -0.971 -6.054 1.00 0.00 H new ATOM 0 HG CYS A 51 -8.411 0.806 -3.264 1.00 0.00 H new ATOM 784 N GLN A 52 -4.779 0.126 -6.932 1.00 0.00 N ATOM 785 CA GLN A 52 -4.084 0.174 -8.213 1.00 0.00 C ATOM 786 C GLN A 52 -2.904 -0.792 -8.228 1.00 0.00 C ATOM 787 O GLN A 52 -2.770 -1.612 -9.138 1.00 0.00 O ATOM 788 CB GLN A 52 -3.598 1.596 -8.501 1.00 0.00 C ATOM 789 CG GLN A 52 -4.704 2.638 -8.453 1.00 0.00 C ATOM 790 CD GLN A 52 -4.418 3.833 -9.340 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.286 4.314 -9.409 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.445 4.320 -10.027 1.00 0.00 N ATOM 0 H GLN A 52 -4.841 1.024 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.786 -0.127 -8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.828 1.862 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.131 1.619 -9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.644 2.179 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.835 2.976 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.366 3.891 -9.940 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.313 5.123 -10.642 1.00 0.00 H new ATOM 801 N LEU A 53 -2.049 -0.690 -7.216 1.00 0.00 N ATOM 802 CA LEU A 53 -0.879 -1.555 -7.113 1.00 0.00 C ATOM 803 C LEU A 53 -1.183 -2.949 -7.653 1.00 0.00 C ATOM 804 O LEU A 53 -0.567 -3.400 -8.620 1.00 0.00 O ATOM 805 CB LEU A 53 -0.417 -1.648 -5.658 1.00 0.00 C ATOM 806 CG LEU A 53 0.701 -2.653 -5.372 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.999 -2.207 -6.025 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.889 -2.828 -3.872 1.00 0.00 C ATOM 0 H LEU A 53 -2.144 -0.017 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.081 -1.119 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.081 -0.661 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.277 -1.906 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 53 0.416 -3.615 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.783 -2.934 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.857 -2.133 -7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.289 -1.234 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.688 -3.546 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.151 -1.870 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.037 -3.194 -3.429 1.00 0.00 H new ATOM 820 N LEU A 54 -2.136 -3.626 -7.023 1.00 0.00 N ATOM 821 CA LEU A 54 -2.524 -4.969 -7.442 1.00 0.00 C ATOM 822 C LEU A 54 -2.981 -4.975 -8.897 1.00 0.00 C ATOM 823 O LEU A 54 -2.658 -5.889 -9.655 1.00 0.00 O ATOM 824 CB LEU A 54 -3.641 -5.502 -6.542 1.00 0.00 C ATOM 825 CG LEU A 54 -3.378 -5.440 -5.037 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.491 -6.140 -4.272 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.029 -6.060 -4.706 1.00 0.00 C ATOM 0 H LEU A 54 -2.654 -3.268 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.652 -5.617 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.551 -4.941 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.836 -6.539 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.359 -4.393 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.287 -6.086 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.442 -5.652 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.543 -7.185 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.858 -6.007 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.020 -7.102 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.241 -5.515 -5.226 1.00 0.00 H new ATOM 839 N ASN A 55 -3.732 -3.948 -9.281 1.00 0.00 N ATOM 840 CA ASN A 55 -4.232 -3.835 -10.646 1.00 0.00 C ATOM 841 C ASN A 55 -3.080 -3.711 -11.638 1.00 0.00 C ATOM 842 O ASN A 55 -3.225 -4.034 -12.817 1.00 0.00 O ATOM 843 CB ASN A 55 -5.161 -2.626 -10.772 1.00 0.00 C ATOM 844 CG ASN A 55 -6.398 -2.753 -9.905 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.659 -3.810 -9.329 1.00 0.00 O ATOM 846 ND2 ASN A 55 -7.166 -1.675 -9.807 1.00 0.00 N ATOM 0 H ASN A 55 -4.008 -3.182 -8.666 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.792 -4.741 -10.878 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.617 -1.723 -10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.461 -2.509 -11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.011 -1.701 -9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.911 -0.820 -10.302 1.00 0.00 H new ATOM 853 N ASN A 56 -1.935 -3.242 -11.152 1.00 0.00 N ATOM 854 CA ASN A 56 -0.757 -3.076 -11.996 1.00 0.00 C ATOM 855 C ASN A 56 -0.029 -4.404 -12.180 1.00 0.00 C ATOM 856 O ASN A 56 0.305 -4.791 -13.301 1.00 0.00 O ATOM 857 CB ASN A 56 0.190 -2.041 -11.387 1.00 0.00 C ATOM 858 CG ASN A 56 -0.121 -0.630 -11.847 1.00 0.00 C ATOM 859 OD1 ASN A 56 -0.099 -0.336 -13.042 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.413 0.251 -10.897 1.00 0.00 N ATOM 0 H ASN A 56 -1.798 -2.970 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.087 -2.725 -12.974 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.125 -2.088 -10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.217 -2.290 -11.656 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.631 1.216 -11.146 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.419 -0.037 -9.919 1.00 0.00 H new ATOM 867 N LEU A 57 0.216 -5.097 -11.074 1.00 0.00 N ATOM 868 CA LEU A 57 0.905 -6.382 -11.112 1.00 0.00 C ATOM 869 C LEU A 57 0.080 -7.420 -11.866 1.00 0.00 C ATOM 870 O LEU A 57 0.571 -8.063 -12.794 1.00 0.00 O ATOM 871 CB LEU A 57 1.189 -6.873 -9.692 1.00 0.00 C ATOM 872 CG LEU A 57 1.768 -5.838 -8.727 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.853 -6.409 -7.320 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.138 -5.375 -9.200 1.00 0.00 C ATOM 0 H LEU A 57 -0.052 -4.790 -10.139 1.00 0.00 H new ATOM 0 HA LEU A 57 1.850 -6.244 -11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.260 -7.255 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.882 -7.713 -9.751 1.00 0.00 H new ATOM 0 HG LEU A 57 1.102 -4.975 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.267 -5.658 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.856 -6.690 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.497 -7.289 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.535 -4.639 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.814 -6.229 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.049 -4.925 -10.189 1.00 0.00 H new ATOM 886 N ARG A 58 -1.177 -7.576 -11.462 1.00 0.00 N ATOM 887 CA ARG A 58 -2.071 -8.535 -12.100 1.00 0.00 C ATOM 888 C ARG A 58 -3.255 -7.825 -12.750 1.00 0.00 C ATOM 889 O ARG A 58 -3.579 -6.691 -12.401 1.00 0.00 O ATOM 890 CB ARG A 58 -2.573 -9.555 -11.077 1.00 0.00 C ATOM 891 CG ARG A 58 -2.883 -10.917 -11.676 1.00 0.00 C ATOM 892 CD ARG A 58 -3.676 -11.783 -10.710 1.00 0.00 C ATOM 893 NE ARG A 58 -4.218 -12.973 -11.361 1.00 0.00 N ATOM 894 CZ ARG A 58 -5.238 -12.945 -12.212 1.00 0.00 C ATOM 895 NH1 ARG A 58 -5.823 -11.794 -12.513 1.00 0.00 N ATOM 896 NH2 ARG A 58 -5.675 -14.070 -12.763 1.00 0.00 N ATOM 0 H ARG A 58 -1.599 -7.051 -10.696 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.511 -9.055 -12.877 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.822 -9.673 -10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.471 -9.165 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.448 -10.789 -12.600 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.953 -11.421 -11.938 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.034 -12.083 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.492 -11.199 -10.285 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.790 -13.875 -11.151 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.490 -10.927 -12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.606 -11.775 -13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.228 -14.958 -12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.458 -14.047 -13.416 1.00 0.00 H new ATOM 910 N ALA A 59 -3.896 -8.501 -13.698 1.00 0.00 N ATOM 911 CA ALA A 59 -5.044 -7.936 -14.395 1.00 0.00 C ATOM 912 C ALA A 59 -6.351 -8.354 -13.729 1.00 0.00 C ATOM 913 O ALA A 59 -6.459 -9.453 -13.185 1.00 0.00 O ATOM 914 CB ALA A 59 -5.035 -8.361 -15.856 1.00 0.00 C ATOM 0 H ALA A 59 -3.639 -9.441 -14.001 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.971 -6.850 -14.343 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.898 -7.932 -16.365 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.120 -8.008 -16.332 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.080 -9.448 -15.919 1.00 0.00 H new ATOM 920 N HIS A 60 -7.342 -7.469 -13.774 1.00 0.00 N ATOM 921 CA HIS A 60 -8.642 -7.746 -13.174 1.00 0.00 C ATOM 922 C HIS A 60 -8.512 -7.959 -11.669 1.00 0.00 C ATOM 923 O HIS A 60 -9.331 -8.644 -11.056 1.00 0.00 O ATOM 924 CB HIS A 60 -9.274 -8.978 -13.822 1.00 0.00 C ATOM 925 CG HIS A 60 -9.798 -8.726 -15.203 1.00 0.00 C ATOM 926 ND1 HIS A 60 -10.780 -7.799 -15.478 1.00 0.00 N ATOM 927 CD2 HIS A 60 -9.468 -9.286 -16.390 1.00 0.00 C ATOM 928 CE1 HIS A 60 -11.034 -7.800 -16.774 1.00 0.00 C ATOM 929 NE2 HIS A 60 -10.251 -8.694 -17.351 1.00 0.00 N ATOM 0 H HIS A 60 -7.269 -6.554 -14.220 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.285 -6.883 -13.347 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.534 -9.777 -13.863 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.090 -9.332 -13.192 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.727 -10.055 -16.552 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.758 -7.176 -17.277 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.231 -8.910 -18.348 1.00 0.00 H new ATOM 938 N SER A 61 -7.477 -7.368 -11.080 1.00 0.00 N ATOM 939 CA SER A 61 -7.237 -7.497 -9.648 1.00 0.00 C ATOM 940 C SER A 61 -8.295 -6.741 -8.849 1.00 0.00 C ATOM 941 O SER A 61 -8.785 -7.229 -7.830 1.00 0.00 O ATOM 942 CB SER A 61 -5.844 -6.972 -9.293 1.00 0.00 C ATOM 943 OG SER A 61 -4.881 -7.402 -10.240 1.00 0.00 O ATOM 0 H SER A 61 -6.792 -6.795 -11.573 1.00 0.00 H new ATOM 0 HA SER A 61 -7.297 -8.554 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.861 -5.883 -9.256 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.563 -7.321 -8.299 1.00 0.00 H new ATOM 0 HG SER A 61 -4.019 -6.979 -10.045 1.00 0.00 H new ATOM 949 N ILE A 62 -8.643 -5.548 -9.320 1.00 0.00 N ATOM 950 CA ILE A 62 -9.643 -4.726 -8.652 1.00 0.00 C ATOM 951 C ILE A 62 -10.350 -3.807 -9.642 1.00 0.00 C ATOM 952 O ILE A 62 -9.719 -3.225 -10.524 1.00 0.00 O ATOM 953 CB ILE A 62 -9.015 -3.872 -7.535 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.208 -4.755 -6.581 1.00 0.00 C ATOM 955 CG2 ILE A 62 -10.095 -3.113 -6.778 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.602 -3.995 -5.422 1.00 0.00 C ATOM 0 H ILE A 62 -8.247 -5.130 -10.162 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.369 -5.409 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.339 -3.147 -7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.855 -5.541 -6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.411 -5.246 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.636 -2.514 -5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.631 -2.459 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.794 -3.821 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.044 -4.684 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.929 -3.227 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.395 -3.526 -4.840 1.00 0.00 H new ATOM 968 N ASN A 63 -11.664 -3.679 -9.489 1.00 0.00 N ATOM 969 CA ASN A 63 -12.458 -2.829 -10.369 1.00 0.00 C ATOM 970 C ASN A 63 -12.558 -1.412 -9.812 1.00 0.00 C ATOM 971 O ASN A 63 -13.248 -1.170 -8.822 1.00 0.00 O ATOM 972 CB ASN A 63 -13.858 -3.416 -10.554 1.00 0.00 C ATOM 973 CG ASN A 63 -14.768 -2.503 -11.353 1.00 0.00 C ATOM 974 OD1 ASN A 63 -14.431 -1.349 -11.616 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.928 -3.018 -11.742 1.00 0.00 N ATOM 0 H ASN A 63 -12.202 -4.153 -8.764 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.959 -2.786 -11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.781 -4.379 -11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.303 -3.602 -9.576 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.582 -2.451 -12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.165 -3.980 -11.501 1.00 0.00 H new ATOM 982 N LEU A 64 -11.864 -0.479 -10.456 1.00 0.00 N ATOM 983 CA LEU A 64 -11.875 0.915 -10.026 1.00 0.00 C ATOM 984 C LEU A 64 -13.295 1.379 -9.718 1.00 0.00 C ATOM 985 O LEU A 64 -13.535 2.061 -8.721 1.00 0.00 O ATOM 986 CB LEU A 64 -11.258 1.807 -11.104 1.00 0.00 C ATOM 987 CG LEU A 64 -9.805 1.505 -11.474 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.370 2.351 -12.660 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.891 1.744 -10.282 1.00 0.00 C ATOM 0 H LEU A 64 -11.287 -0.663 -11.277 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.281 0.993 -9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.866 1.727 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.319 2.843 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.732 0.455 -11.757 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.334 2.123 -12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.006 2.130 -13.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.458 3.407 -12.405 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.861 1.524 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.967 2.785 -9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.189 1.094 -9.459 1.00 0.00 H new ATOM 1001 N LYS A 65 -14.235 1.002 -10.579 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.633 1.376 -10.398 1.00 0.00 C ATOM 1003 C LYS A 65 -16.166 0.860 -9.065 1.00 0.00 C ATOM 1004 O LYS A 65 -17.011 1.497 -8.437 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.481 0.826 -11.546 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.907 1.119 -12.922 1.00 0.00 C ATOM 1007 CD LYS A 65 -15.692 2.608 -13.131 1.00 0.00 C ATOM 1008 CE LYS A 65 -14.291 3.033 -12.715 1.00 0.00 C ATOM 1009 NZ LYS A 65 -13.977 4.419 -13.159 1.00 0.00 N ATOM 0 H LYS A 65 -14.054 0.438 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.695 2.464 -10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.583 -0.253 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.483 1.250 -11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.960 0.593 -13.041 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.582 0.737 -13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.852 2.856 -14.180 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.429 3.168 -12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.199 2.969 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.561 2.342 -13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.987 4.640 -12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.122 4.496 -14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.603 5.090 -12.670 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.666 -0.296 -8.640 1.00 0.00 N ATOM 1024 CA GLU A 66 -16.093 -0.896 -7.382 1.00 0.00 C ATOM 1025 C GLU A 66 -15.507 -0.139 -6.193 1.00 0.00 C ATOM 1026 O GLU A 66 -16.061 -0.166 -5.093 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.672 -2.365 -7.323 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.472 -3.266 -8.249 1.00 0.00 C ATOM 1029 CD GLU A 66 -16.162 -4.736 -8.045 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -16.418 -5.247 -6.935 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -15.663 -5.375 -8.995 1.00 0.00 O ATOM 0 H GLU A 66 -14.965 -0.835 -9.148 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.180 -0.835 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.615 -2.442 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.779 -2.724 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.536 -3.097 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.263 -2.995 -9.284 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.384 0.533 -6.421 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.724 1.297 -5.370 1.00 0.00 C ATOM 1040 C ILE A 67 -13.961 2.793 -5.546 1.00 0.00 C ATOM 1041 O ILE A 67 -13.807 3.332 -6.641 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.208 1.028 -5.347 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.625 1.147 -6.757 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.922 -0.348 -4.764 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.122 0.982 -6.805 1.00 0.00 C ATOM 0 H ILE A 67 -13.912 0.564 -7.325 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.157 0.972 -4.424 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.731 1.776 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.086 0.394 -7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.889 2.121 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.846 -0.523 -4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.307 -0.399 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.408 -1.110 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.778 1.078 -7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.652 1.751 -6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.852 -0.002 -6.423 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.336 3.459 -4.458 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.594 4.894 -4.492 1.00 0.00 C ATOM 1059 C ASN A 68 -13.380 5.652 -5.021 1.00 0.00 C ATOM 1060 O ASN A 68 -12.302 5.611 -4.427 1.00 0.00 O ATOM 1061 CB ASN A 68 -14.957 5.401 -3.094 1.00 0.00 C ATOM 1062 CG ASN A 68 -15.811 4.412 -2.325 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -15.240 3.825 -1.280 1.00 0.00 O flip ATOM 1064 ND2 ASN A 68 -16.971 4.180 -2.666 1.00 0.00 N flip ATOM 0 H ASN A 68 -14.468 3.028 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.433 5.072 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.043 5.600 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.491 6.347 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.369 4.655 -3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -17.534 3.513 -2.138 1.00 0.00 H new ATOM 1071 N LEU A 69 -13.564 6.344 -6.140 1.00 0.00 N ATOM 1072 CA LEU A 69 -12.485 7.113 -6.750 1.00 0.00 C ATOM 1073 C LEU A 69 -12.479 8.548 -6.233 1.00 0.00 C ATOM 1074 O LEU A 69 -11.455 9.230 -6.275 1.00 0.00 O ATOM 1075 CB LEU A 69 -12.625 7.108 -8.273 1.00 0.00 C ATOM 1076 CG LEU A 69 -12.150 5.842 -8.986 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -12.807 5.720 -10.352 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -10.634 5.843 -9.120 1.00 0.00 C ATOM 0 H LEU A 69 -14.450 6.388 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.540 6.644 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.674 7.269 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.069 7.956 -8.672 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.442 4.979 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.457 4.813 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.889 5.673 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.546 6.587 -10.960 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.313 4.935 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.320 6.713 -9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.181 5.882 -8.129 1.00 0.00 H new ATOM 1090 N ARG A 70 -13.630 9.000 -5.745 1.00 0.00 N ATOM 1091 CA ARG A 70 -13.758 10.354 -5.219 1.00 0.00 C ATOM 1092 C ARG A 70 -14.018 10.331 -3.715 1.00 0.00 C ATOM 1093 O ARG A 70 -15.066 10.762 -3.235 1.00 0.00 O ATOM 1094 CB ARG A 70 -14.890 11.096 -5.932 1.00 0.00 C ATOM 1095 CG ARG A 70 -14.438 11.849 -7.172 1.00 0.00 C ATOM 1096 CD ARG A 70 -14.118 10.898 -8.315 1.00 0.00 C ATOM 1097 NE ARG A 70 -13.637 11.607 -9.498 1.00 0.00 N ATOM 1098 CZ ARG A 70 -13.153 10.996 -10.574 1.00 0.00 C ATOM 1099 NH1 ARG A 70 -13.086 9.673 -10.616 1.00 0.00 N ATOM 1100 NH2 ARG A 70 -12.734 11.710 -11.611 1.00 0.00 N ATOM 0 H ARG A 70 -14.487 8.448 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.819 10.877 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.662 10.380 -6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.347 11.800 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.219 12.543 -7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.557 12.446 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.364 10.181 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.010 10.327 -8.572 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.675 12.626 -9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.407 9.121 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.714 9.207 -11.444 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.783 12.728 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.363 11.240 -12.437 1.00 0.00 H new ATOM 1114 N PRO A 71 -13.042 9.815 -2.954 1.00 0.00 N ATOM 1115 CA PRO A 71 -13.141 9.723 -1.494 1.00 0.00 C ATOM 1116 C PRO A 71 -13.078 11.090 -0.821 1.00 0.00 C ATOM 1117 O PRO A 71 -12.819 11.190 0.378 1.00 0.00 O ATOM 1118 CB PRO A 71 -11.924 8.879 -1.108 1.00 0.00 C ATOM 1119 CG PRO A 71 -10.947 9.097 -2.211 1.00 0.00 C ATOM 1120 CD PRO A 71 -11.765 9.282 -3.459 1.00 0.00 C ATOM 0 HA PRO A 71 -14.091 9.294 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.514 9.192 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.187 7.825 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.328 9.973 -2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.273 8.246 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.288 9.973 -4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.905 8.341 -3.991 1.00 0.00 H new ATOM 1128 N GLN A 72 -13.316 12.140 -1.601 1.00 0.00 N ATOM 1129 CA GLN A 72 -13.285 13.501 -1.079 1.00 0.00 C ATOM 1130 C GLN A 72 -13.645 13.524 0.402 1.00 0.00 C ATOM 1131 O GLN A 72 -14.818 13.603 0.764 1.00 0.00 O ATOM 1132 CB GLN A 72 -14.248 14.393 -1.865 1.00 0.00 C ATOM 1133 CG GLN A 72 -13.895 14.521 -3.338 1.00 0.00 C ATOM 1134 CD GLN A 72 -14.854 15.420 -4.092 1.00 0.00 C ATOM 1135 OE1 GLN A 72 -16.065 15.378 -3.872 1.00 0.00 O ATOM 1136 NE2 GLN A 72 -14.317 16.240 -4.988 1.00 0.00 N ATOM 0 H GLN A 72 -13.532 12.074 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.271 13.884 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.257 13.991 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.259 15.386 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.883 14.915 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.895 13.531 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.308 16.241 -5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.913 16.868 -5.526 1.00 0.00 H new ATOM 1145 N MET A 73 -12.628 13.455 1.255 1.00 0.00 N ATOM 1146 CA MET A 73 -12.838 13.469 2.698 1.00 0.00 C ATOM 1147 C MET A 73 -14.136 12.758 3.065 1.00 0.00 C ATOM 1148 O MET A 73 -14.957 13.290 3.812 1.00 0.00 O ATOM 1149 CB MET A 73 -12.867 14.908 3.216 1.00 0.00 C ATOM 1150 CG MET A 73 -11.493 15.554 3.291 1.00 0.00 C ATOM 1151 SD MET A 73 -10.428 14.782 4.525 1.00 0.00 S ATOM 1152 CE MET A 73 -9.419 13.726 3.488 1.00 0.00 C ATOM 0 H MET A 73 -11.650 13.389 0.972 1.00 0.00 H new ATOM 0 HA MET A 73 -12.009 12.938 3.166 1.00 0.00 H new ATOM 0 HB2 MET A 73 -13.506 15.507 2.567 1.00 0.00 H new ATOM 0 HB3 MET A 73 -13.320 14.920 4.207 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.014 15.493 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.606 16.612 3.525 1.00 0.00 H new ATOM 0 HE1 MET A 73 -9.279 12.762 3.977 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.915 13.577 2.529 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.449 14.195 3.326 1.00 0.00 H new ATOM 1162 N SER A 74 -14.316 11.552 2.535 1.00 0.00 N ATOM 1163 CA SER A 74 -15.517 10.770 2.804 1.00 0.00 C ATOM 1164 C SER A 74 -15.167 9.463 3.510 1.00 0.00 C ATOM 1165 O SER A 74 -14.998 8.426 2.870 1.00 0.00 O ATOM 1166 CB SER A 74 -16.261 10.475 1.501 1.00 0.00 C ATOM 1167 OG SER A 74 -17.615 10.140 1.751 1.00 0.00 O ATOM 0 H SER A 74 -13.645 11.095 1.917 1.00 0.00 H new ATOM 0 HA SER A 74 -16.163 11.355 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.213 11.345 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.771 9.655 0.977 1.00 0.00 H new ATOM 0 HG SER A 74 -18.140 10.269 0.934 1.00 0.00 H new ATOM 1173 N GLN A 75 -15.061 9.523 4.834 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.730 8.345 5.627 1.00 0.00 C ATOM 1175 C GLN A 75 -15.328 7.086 5.007 1.00 0.00 C ATOM 1176 O GLN A 75 -14.611 6.135 4.696 1.00 0.00 O ATOM 1177 CB GLN A 75 -15.237 8.512 7.061 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.766 7.416 8.004 1.00 0.00 C ATOM 1179 CD GLN A 75 -14.796 7.845 9.457 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -14.158 8.826 9.840 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -15.538 7.110 10.277 1.00 0.00 N ATOM 0 H GLN A 75 -15.199 10.374 5.379 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.645 8.240 5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.906 9.477 7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.327 8.529 7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.396 6.536 7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.751 7.123 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.051 6.305 9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.595 7.350 11.267 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.645 7.088 4.830 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.339 5.945 4.249 1.00 0.00 C ATOM 1192 C PHE A 76 -16.611 5.441 3.006 1.00 0.00 C ATOM 1193 O PHE A 76 -16.449 4.235 2.812 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.778 6.323 3.893 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.739 5.171 3.976 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.838 4.258 2.939 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.543 5.001 5.092 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.720 3.196 3.013 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -21.426 3.942 5.172 1.00 0.00 C ATOM 1200 CZ PHE A 76 -21.516 3.039 4.130 1.00 0.00 C ATOM 0 H PHE A 76 -17.253 7.868 5.080 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.353 5.145 4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -19.114 7.115 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -18.799 6.731 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.219 4.377 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -20.478 5.705 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.786 2.490 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -22.046 3.820 6.048 1.00 0.00 H new ATOM 0 HZ PHE A 76 -22.208 2.212 4.189 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.175 6.373 2.165 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.464 6.025 0.940 1.00 0.00 C ATOM 1212 C LEU A 77 -14.050 5.544 1.248 1.00 0.00 C ATOM 1213 O LEU A 77 -13.609 4.513 0.738 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.411 7.230 -0.002 1.00 0.00 C ATOM 1215 CG LEU A 77 -16.757 7.858 -0.365 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.573 8.951 -1.405 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -17.722 6.795 -0.871 1.00 0.00 C ATOM 0 H LEU A 77 -16.301 7.375 2.309 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.006 5.214 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.787 7.997 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.915 6.924 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.181 8.307 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.542 9.386 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.918 9.726 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.127 8.526 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.675 7.260 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.304 6.317 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.879 6.047 -0.094 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.345 6.295 2.087 1.00 0.00 N ATOM 1230 CA CYS A 78 -11.980 5.944 2.465 1.00 0.00 C ATOM 1231 C CYS A 78 -11.927 4.547 3.074 1.00 0.00 C ATOM 1232 O CYS A 78 -11.308 3.638 2.519 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.424 6.967 3.455 1.00 0.00 C ATOM 1234 SG CYS A 78 -11.169 8.613 2.751 1.00 0.00 S ATOM 0 H CYS A 78 -13.695 7.150 2.518 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.366 5.951 1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.107 7.047 4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.475 6.600 3.846 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.903 9.456 3.704 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.579 4.382 4.220 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.605 3.096 4.908 1.00 0.00 C ATOM 1242 C LEU A 79 -12.887 1.961 3.928 1.00 0.00 C ATOM 1243 O LEU A 79 -12.079 1.044 3.774 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.664 3.106 6.012 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.234 3.714 7.347 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.447 3.995 8.221 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -12.260 2.791 8.065 1.00 0.00 C ATOM 0 H LEU A 79 -13.097 5.123 4.692 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.625 2.931 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.534 3.654 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.985 2.080 6.189 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.728 4.659 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.121 4.427 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.109 4.695 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.981 3.064 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.965 3.240 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.740 1.830 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.377 2.640 7.444 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.037 2.029 3.267 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.425 1.010 2.299 1.00 0.00 C ATOM 1261 C LYS A 80 -13.291 0.731 1.318 1.00 0.00 C ATOM 1262 O LYS A 80 -12.828 -0.402 1.196 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.676 1.451 1.536 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.360 0.323 0.785 1.00 0.00 C ATOM 1265 CD LYS A 80 -15.520 -0.155 -0.388 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.368 -0.882 -1.421 1.00 0.00 C ATOM 1267 NZ LYS A 80 -16.534 -2.324 -1.087 1.00 0.00 N ATOM 0 H LYS A 80 -14.717 2.780 3.384 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.644 0.092 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.384 1.890 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.403 2.234 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.544 -0.509 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.331 0.661 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.027 0.698 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.735 -0.819 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.348 -0.409 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.904 -0.788 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.118 -2.784 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.601 -2.782 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.000 -2.415 -0.161 1.00 0.00 H new ATOM 1281 N ASN A 81 -12.848 1.772 0.622 1.00 0.00 N ATOM 1282 CA ASN A 81 -11.766 1.639 -0.348 1.00 0.00 C ATOM 1283 C ASN A 81 -10.685 0.696 0.169 1.00 0.00 C ATOM 1284 O ASN A 81 -10.367 -0.309 -0.469 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.159 3.009 -0.657 1.00 0.00 C ATOM 1286 CG ASN A 81 -11.925 3.751 -1.735 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -12.830 3.200 -2.361 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -11.564 5.010 -1.957 1.00 0.00 N ATOM 0 H ASN A 81 -13.221 2.717 0.711 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.182 1.219 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.143 3.610 0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.124 2.882 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.043 5.560 -2.670 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.808 5.427 -1.414 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.125 1.025 1.328 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.081 0.206 1.931 1.00 0.00 C ATOM 1297 C ILE A 82 -9.455 -1.271 1.902 1.00 0.00 C ATOM 1298 O ILE A 82 -8.741 -2.092 1.327 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.807 0.627 3.388 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.385 2.096 3.447 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.737 -0.263 4.003 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.418 2.679 4.842 1.00 0.00 C ATOM 0 H ILE A 82 -10.377 1.853 1.868 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.178 0.361 1.340 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.725 0.510 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.376 2.192 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.041 2.680 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.554 0.046 5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.074 -1.299 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.815 -0.174 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.107 3.723 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.431 2.615 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.740 2.119 5.486 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.581 -1.603 2.526 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.052 -2.982 2.571 1.00 0.00 C ATOM 1316 C ARG A 83 -10.963 -3.632 1.193 1.00 0.00 C ATOM 1317 O ARG A 83 -10.411 -4.723 1.043 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.493 -3.035 3.080 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.602 -3.143 4.592 1.00 0.00 C ATOM 1320 CD ARG A 83 -13.928 -2.595 5.096 1.00 0.00 C ATOM 1321 NE ARG A 83 -15.017 -3.552 4.921 1.00 0.00 N ATOM 1322 CZ ARG A 83 -16.201 -3.435 5.512 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.447 -2.406 6.313 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -17.142 -4.346 5.303 1.00 0.00 N ATOM 0 H ARG A 83 -11.184 -0.936 3.007 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.411 -3.536 3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.019 -2.139 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.998 -3.887 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.501 -4.186 4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.781 -2.597 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.837 -2.339 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.166 -1.674 4.564 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.860 -4.355 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.726 -1.703 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.357 -2.318 6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.957 -5.138 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.050 -4.254 5.758 1.00 0.00 H new ATOM 1338 N THR A 84 -11.511 -2.956 0.189 1.00 0.00 N ATOM 1339 CA THR A 84 -11.496 -3.467 -1.176 1.00 0.00 C ATOM 1340 C THR A 84 -10.148 -4.094 -1.513 1.00 0.00 C ATOM 1341 O THR A 84 -10.084 -5.172 -2.104 1.00 0.00 O ATOM 1342 CB THR A 84 -11.801 -2.355 -2.196 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.013 -1.681 -1.838 1.00 0.00 O ATOM 1344 CG2 THR A 84 -11.929 -2.928 -3.599 1.00 0.00 C ATOM 0 H THR A 84 -11.971 -2.052 0.295 1.00 0.00 H new ATOM 0 HA THR A 84 -12.274 -4.228 -1.237 1.00 0.00 H new ATOM 0 HB THR A 84 -10.974 -1.645 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.806 -0.931 -1.242 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.145 -2.124 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.995 -3.415 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.739 -3.657 -3.622 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.072 -3.413 -1.133 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.724 -3.904 -1.395 1.00 0.00 C ATOM 1354 C PHE A 85 -7.456 -5.195 -0.627 1.00 0.00 C ATOM 1355 O PHE A 85 -7.227 -6.249 -1.222 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.689 -2.844 -1.011 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.340 -3.416 -0.681 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.455 -3.765 -1.689 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -4.956 -3.605 0.636 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.214 -4.292 -1.389 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.715 -4.131 0.943 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.843 -4.474 -0.071 1.00 0.00 C ATOM 0 H PHE A 85 -9.107 -2.519 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.641 -4.113 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.583 -2.136 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.057 -2.283 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.739 -3.623 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.634 -3.338 1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.535 -4.561 -2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.428 -4.273 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.872 -4.884 0.166 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.486 -5.105 0.698 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.245 -6.265 1.549 1.00 0.00 C ATOM 1374 C LEU A 86 -8.022 -7.478 1.048 1.00 0.00 C ATOM 1375 O LEU A 86 -7.621 -8.621 1.268 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.641 -5.953 2.994 1.00 0.00 C ATOM 1377 CG LEU A 86 -6.959 -4.740 3.629 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -7.767 -4.234 4.814 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.541 -5.089 4.057 1.00 0.00 C ATOM 0 H LEU A 86 -7.675 -4.241 1.206 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.181 -6.497 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.719 -5.798 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.425 -6.828 3.606 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.907 -3.945 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.267 -3.371 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.763 -3.944 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.851 -5.024 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.071 -4.214 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.570 -5.900 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.965 -5.403 3.186 1.00 0.00 H new ATOM 1391 N THR A 87 -9.137 -7.222 0.371 1.00 0.00 N ATOM 1392 CA THR A 87 -9.970 -8.292 -0.163 1.00 0.00 C ATOM 1393 C THR A 87 -9.297 -8.973 -1.349 1.00 0.00 C ATOM 1394 O THR A 87 -9.151 -10.195 -1.374 1.00 0.00 O ATOM 1395 CB THR A 87 -11.349 -7.765 -0.603 1.00 0.00 C ATOM 1396 OG1 THR A 87 -11.901 -6.925 0.417 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.302 -8.915 -0.890 1.00 0.00 C ATOM 0 H THR A 87 -9.484 -6.282 0.180 1.00 0.00 H new ATOM 0 HA THR A 87 -10.106 -9.017 0.640 1.00 0.00 H new ATOM 0 HB THR A 87 -11.217 -7.187 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.381 -6.097 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.269 -8.518 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.893 -9.536 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.428 -9.517 0.010 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.888 -8.175 -2.329 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.227 -8.702 -3.517 1.00 0.00 C ATOM 1407 C ALA A 88 -6.948 -9.446 -3.150 1.00 0.00 C ATOM 1408 O ALA A 88 -6.505 -10.336 -3.877 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.923 -7.576 -4.495 1.00 0.00 C ATOM 0 H ALA A 88 -9.002 -7.161 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.904 -9.411 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.430 -7.984 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.853 -7.090 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.269 -6.846 -4.018 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.359 -9.077 -2.018 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.129 -9.709 -1.555 1.00 0.00 C ATOM 1417 C CYS A 89 -5.340 -11.201 -1.319 1.00 0.00 C ATOM 1418 O CYS A 89 -4.404 -11.995 -1.425 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.641 -9.041 -0.268 1.00 0.00 C ATOM 1420 SG CYS A 89 -4.216 -7.294 -0.458 1.00 0.00 S ATOM 0 H CYS A 89 -6.713 -8.344 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.372 -9.585 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.415 -9.135 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.767 -9.579 0.099 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.277 -6.624 -0.798 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.573 -11.575 -0.998 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.906 -12.973 -0.744 1.00 0.00 C ATOM 1428 C CYS A 90 -7.693 -13.564 -1.910 1.00 0.00 C ATOM 1429 O CYS A 90 -7.679 -14.774 -2.130 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.714 -13.100 0.548 1.00 0.00 C ATOM 1431 SG CYS A 90 -7.847 -14.792 1.172 1.00 0.00 S ATOM 0 H CYS A 90 -7.359 -10.931 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.975 -13.529 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.254 -12.477 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.716 -12.707 0.377 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.092 -15.063 1.429 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.380 -12.701 -2.652 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.175 -13.139 -3.793 1.00 0.00 C ATOM 1439 C GLU A 91 -8.328 -13.182 -5.061 1.00 0.00 C ATOM 1440 O GLU A 91 -8.146 -14.240 -5.665 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.371 -12.207 -3.997 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.322 -12.169 -2.813 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.405 -13.227 -2.900 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -12.059 -14.423 -2.998 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.598 -12.860 -2.871 1.00 0.00 O ATOM 0 H GLU A 91 -8.402 -11.695 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.539 -14.145 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.006 -11.199 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.920 -12.524 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.756 -12.309 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.785 -11.184 -2.755 1.00 0.00 H new ATOM 1452 N THR A 92 -7.811 -12.024 -5.461 1.00 0.00 N ATOM 1453 CA THR A 92 -6.985 -11.929 -6.658 1.00 0.00 C ATOM 1454 C THR A 92 -5.695 -12.727 -6.501 1.00 0.00 C ATOM 1455 O THR A 92 -5.373 -13.574 -7.334 1.00 0.00 O ATOM 1456 CB THR A 92 -6.633 -10.464 -6.982 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.828 -9.718 -7.235 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.712 -10.384 -8.190 1.00 0.00 C ATOM 0 H THR A 92 -7.950 -11.139 -4.973 1.00 0.00 H new ATOM 0 HA THR A 92 -7.569 -12.345 -7.479 1.00 0.00 H new ATOM 0 HB THR A 92 -6.116 -10.038 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.609 -8.766 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.477 -9.341 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.791 -10.929 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.207 -10.826 -9.055 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.961 -12.451 -5.429 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.706 -13.144 -5.163 1.00 0.00 C ATOM 1468 C PHE A 93 -3.943 -14.401 -4.330 1.00 0.00 C ATOM 1469 O PHE A 93 -3.751 -15.519 -4.806 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.730 -12.215 -4.438 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.187 -11.118 -5.308 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.035 -10.175 -5.866 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.829 -11.031 -5.569 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.539 -9.164 -6.667 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.327 -10.022 -6.369 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.183 -9.088 -6.920 1.00 0.00 C ATOM 0 H PHE A 93 -5.213 -11.752 -4.730 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.274 -13.440 -6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.234 -11.771 -3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.899 -12.805 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.096 -10.231 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.155 -11.760 -5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.211 -8.434 -7.095 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.734 -9.964 -6.563 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.793 -8.300 -7.547 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.363 -14.207 -3.084 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.620 -15.332 -2.204 1.00 0.00 C ATOM 1488 C GLY A 94 -3.522 -15.528 -1.177 1.00 0.00 C ATOM 1489 O GLY A 94 -2.730 -16.464 -1.277 1.00 0.00 O ATOM 0 H GLY A 94 -4.530 -13.291 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.570 -15.179 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.722 -16.239 -2.800 1.00 0.00 H new ATOM 1493 N MET A 95 -3.473 -14.640 -0.189 1.00 0.00 N ATOM 1494 CA MET A 95 -2.464 -14.720 0.860 1.00 0.00 C ATOM 1495 C MET A 95 -3.115 -14.859 2.232 1.00 0.00 C ATOM 1496 O MET A 95 -4.332 -14.728 2.368 1.00 0.00 O ATOM 1497 CB MET A 95 -1.568 -13.480 0.831 1.00 0.00 C ATOM 1498 CG MET A 95 -2.257 -12.221 1.332 1.00 0.00 C ATOM 1499 SD MET A 95 -1.104 -11.042 2.063 1.00 0.00 S ATOM 1500 CE MET A 95 -0.411 -10.292 0.592 1.00 0.00 C ATOM 0 H MET A 95 -4.120 -13.857 -0.093 1.00 0.00 H new ATOM 0 HA MET A 95 -1.854 -15.605 0.676 1.00 0.00 H new ATOM 0 HB2 MET A 95 -0.683 -13.667 1.439 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.224 -13.314 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.782 -11.744 0.504 1.00 0.00 H new ATOM 0 HG3 MET A 95 -3.010 -12.493 2.072 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.629 -10.024 0.776 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.463 -10.999 -0.236 1.00 0.00 H new ATOM 0 HE3 MET A 95 -0.977 -9.396 0.339 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.298 -15.125 3.246 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.796 -15.283 4.607 1.00 0.00 C ATOM 1512 C ARG A 96 -3.577 -14.049 5.047 1.00 0.00 C ATOM 1513 O ARG A 96 -2.994 -13.041 5.447 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.635 -15.535 5.571 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.059 -16.939 5.478 1.00 0.00 C ATOM 1516 CD ARG A 96 0.326 -17.015 6.100 1.00 0.00 C ATOM 1517 NE ARG A 96 0.820 -18.388 6.169 1.00 0.00 N ATOM 1518 CZ ARG A 96 0.429 -19.265 7.087 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -0.457 -18.914 8.008 1.00 0.00 N ATOM 1520 NH2 ARG A 96 0.924 -20.496 7.083 1.00 0.00 N ATOM 0 H ARG A 96 -1.289 -15.236 3.151 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.467 -16.142 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.844 -14.813 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.976 -15.358 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.724 -17.640 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -1.007 -17.244 4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.019 -16.409 5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.297 -16.589 7.103 1.00 0.00 H new ATOM 0 HE ARG A 96 1.503 -18.690 5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.840 -17.969 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.756 -19.589 8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.605 -20.769 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.623 -21.169 7.788 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.901 -14.134 4.970 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.764 -13.026 5.360 1.00 0.00 C ATOM 1536 C LYS A 97 -5.381 -12.498 6.739 1.00 0.00 C ATOM 1537 O LYS A 97 -5.421 -11.292 6.985 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.229 -13.469 5.361 1.00 0.00 C ATOM 1539 CG LYS A 97 -8.214 -12.314 5.390 1.00 0.00 C ATOM 1540 CD LYS A 97 -8.583 -11.860 3.987 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.730 -12.682 3.420 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.547 -11.899 2.452 1.00 0.00 N ATOM 0 H LYS A 97 -5.400 -14.960 4.640 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.634 -12.224 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.417 -14.074 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.406 -14.108 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.115 -12.616 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.781 -11.479 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.863 -10.807 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.714 -11.947 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.332 -13.569 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.366 -13.029 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.266 -12.517 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.016 -11.114 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.931 -11.518 1.706 1.00 0.00 H new ATOM 1556 N SER A 98 -5.009 -13.407 7.634 1.00 0.00 N ATOM 1557 CA SER A 98 -4.621 -13.032 8.989 1.00 0.00 C ATOM 1558 C SER A 98 -3.464 -12.038 8.967 1.00 0.00 C ATOM 1559 O SER A 98 -3.426 -11.097 9.759 1.00 0.00 O ATOM 1560 CB SER A 98 -4.226 -14.274 9.791 1.00 0.00 C ATOM 1561 OG SER A 98 -4.288 -14.022 11.184 1.00 0.00 O ATOM 0 H SER A 98 -4.968 -14.409 7.446 1.00 0.00 H new ATOM 0 HA SER A 98 -5.477 -12.556 9.467 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.890 -15.101 9.538 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.216 -14.581 9.518 1.00 0.00 H new ATOM 0 HG SER A 98 -4.033 -14.831 11.674 1.00 0.00 H new ATOM 1567 N GLU A 99 -2.523 -12.255 8.053 1.00 0.00 N ATOM 1568 CA GLU A 99 -1.364 -11.378 7.929 1.00 0.00 C ATOM 1569 C GLU A 99 -1.791 -9.960 7.561 1.00 0.00 C ATOM 1570 O GLU A 99 -1.265 -8.983 8.095 1.00 0.00 O ATOM 1571 CB GLU A 99 -0.398 -11.921 6.874 1.00 0.00 C ATOM 1572 CG GLU A 99 0.362 -13.158 7.323 1.00 0.00 C ATOM 1573 CD GLU A 99 1.126 -12.936 8.613 1.00 0.00 C ATOM 1574 OE1 GLU A 99 1.753 -11.866 8.756 1.00 0.00 O ATOM 1575 OE2 GLU A 99 1.097 -13.834 9.481 1.00 0.00 O ATOM 0 H GLU A 99 -2.540 -13.029 7.389 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.858 -11.347 8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.957 -12.157 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.317 -11.141 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.339 -13.982 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.058 -13.457 6.539 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.748 -9.855 6.646 1.00 0.00 N ATOM 1583 CA LEU A 100 -3.248 -8.557 6.206 1.00 0.00 C ATOM 1584 C LEU A 100 -3.451 -7.621 7.393 1.00 0.00 C ATOM 1585 O LEU A 100 -3.515 -8.061 8.541 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.563 -8.726 5.444 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.563 -9.772 4.328 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.951 -9.903 3.719 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.542 -9.411 3.259 1.00 0.00 C ATOM 0 H LEU A 100 -3.194 -10.653 6.194 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.505 -8.115 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.343 -8.987 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.836 -7.763 5.012 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.285 -10.734 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.932 -10.652 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.659 -10.208 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.258 -8.943 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.556 -10.166 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.790 -8.439 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.548 -9.369 3.705 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.553 -6.327 7.108 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.751 -5.328 8.152 1.00 0.00 C ATOM 1603 C PHE A 101 -5.182 -4.799 8.135 1.00 0.00 C ATOM 1604 O PHE A 101 -5.938 -5.057 7.199 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.765 -4.171 7.973 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.867 -3.498 6.634 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -2.329 -4.092 5.503 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -3.501 -2.273 6.506 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -2.421 -3.474 4.270 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -3.596 -1.651 5.276 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.056 -2.253 4.156 1.00 0.00 C ATOM 0 H PHE A 101 -3.502 -5.946 6.163 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.571 -5.805 9.115 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.938 -3.433 8.756 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.750 -4.545 8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.833 -5.048 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.926 -1.799 7.378 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.996 -3.946 3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.092 -0.695 5.190 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.130 -1.770 3.193 1.00 0.00 H new ATOM 1621 N GLU A 102 -5.545 -4.058 9.177 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.885 -3.494 9.282 1.00 0.00 C ATOM 1623 C GLU A 102 -7.021 -2.247 8.412 1.00 0.00 C ATOM 1624 O GLU A 102 -6.102 -1.888 7.677 1.00 0.00 O ATOM 1625 CB GLU A 102 -7.205 -3.149 10.738 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.395 -1.983 11.280 1.00 0.00 C ATOM 1627 CD GLU A 102 -5.096 -2.426 11.925 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -4.122 -2.678 11.186 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -5.054 -2.519 13.169 1.00 0.00 O ATOM 0 H GLU A 102 -4.930 -3.835 9.960 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.594 -4.242 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.266 -2.913 10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.023 -4.026 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.175 -1.289 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.993 -1.439 12.011 1.00 0.00 H new ATOM 1636 N ALA A 103 -8.175 -1.594 8.500 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.431 -0.387 7.723 1.00 0.00 C ATOM 1638 C ALA A 103 -8.141 0.866 8.542 1.00 0.00 C ATOM 1639 O ALA A 103 -7.614 1.850 8.024 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.869 -0.375 7.227 1.00 0.00 C ATOM 0 H ALA A 103 -8.947 -1.880 9.101 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.761 -0.389 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.047 0.531 6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.044 -1.247 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.548 -0.400 8.079 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.489 0.823 9.824 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.267 1.956 10.715 1.00 0.00 C ATOM 1648 C PHE A 104 -6.784 2.307 10.789 1.00 0.00 C ATOM 1649 O PHE A 104 -6.382 3.421 10.452 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.799 1.643 12.115 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.262 2.858 12.866 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.435 3.504 12.509 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.525 3.355 13.928 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.864 4.623 13.198 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.949 4.473 14.621 1.00 0.00 C ATOM 1656 CZ PHE A 104 -10.120 5.108 14.255 1.00 0.00 C ATOM 0 H PHE A 104 -8.926 0.016 10.269 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.806 2.814 10.313 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.628 0.940 12.031 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.017 1.147 12.690 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.021 3.129 11.683 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.608 2.863 14.218 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.780 5.117 12.910 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.365 4.850 15.448 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.453 5.982 14.795 1.00 0.00 H new ATOM 1666 N ASP A 105 -5.977 1.350 11.232 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.538 1.557 11.351 1.00 0.00 C ATOM 1668 C ASP A 105 -4.017 2.420 10.205 1.00 0.00 C ATOM 1669 O ASP A 105 -3.138 3.261 10.398 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.808 0.214 11.366 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.625 -0.330 12.770 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -4.383 0.087 13.670 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -2.723 -1.171 12.968 1.00 0.00 O ATOM 0 H ASP A 105 -6.294 0.423 11.515 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.347 2.076 12.290 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.368 -0.507 10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.832 0.329 10.894 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.565 2.206 9.014 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.155 2.963 7.837 1.00 0.00 C ATOM 1680 C LEU A 106 -4.894 4.295 7.761 1.00 0.00 C ATOM 1681 O LEU A 106 -4.286 5.344 7.547 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.414 2.151 6.567 1.00 0.00 C ATOM 1683 CG LEU A 106 -3.931 2.777 5.258 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.413 2.739 5.177 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.548 2.062 4.065 1.00 0.00 C ATOM 0 H LEU A 106 -5.294 1.515 8.838 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.087 3.165 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.936 1.178 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.486 1.972 6.487 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.250 3.819 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.087 3.189 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.990 3.296 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.072 1.705 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.193 2.521 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.260 1.011 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.634 2.141 4.115 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.210 4.247 7.941 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.033 5.450 7.895 1.00 0.00 C ATOM 1699 C PHE A 107 -6.520 6.498 8.878 1.00 0.00 C ATOM 1700 O PHE A 107 -6.218 7.628 8.496 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.491 5.108 8.210 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.450 6.217 7.885 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.354 6.905 6.686 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.448 6.572 8.778 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.235 7.927 6.385 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.332 7.592 8.482 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.226 8.270 7.284 1.00 0.00 C ATOM 0 H PHE A 107 -6.729 3.388 8.120 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.973 5.863 6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.776 4.217 7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.578 4.862 9.268 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.582 6.640 5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.536 6.045 9.717 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.148 8.457 5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -12.105 7.859 9.187 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.916 9.067 7.050 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.426 6.114 10.147 1.00 0.00 N ATOM 1718 CA ASP A 108 -5.950 7.019 11.186 1.00 0.00 C ATOM 1719 C ASP A 108 -4.427 6.996 11.270 1.00 0.00 C ATOM 1720 O ASP A 108 -3.843 7.414 12.271 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.553 6.639 12.539 1.00 0.00 C ATOM 1722 CG ASP A 108 -7.873 7.338 12.801 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -8.588 7.640 11.822 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -8.191 7.583 13.983 1.00 0.00 O ATOM 0 H ASP A 108 -6.673 5.182 10.480 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.267 8.029 10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.703 5.560 12.577 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.848 6.891 13.331 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.788 6.504 10.213 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.332 6.427 10.168 1.00 0.00 C ATOM 1731 C VAL A 109 -1.760 6.041 11.527 1.00 0.00 C ATOM 1732 O VAL A 109 -0.657 6.454 11.887 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.713 7.765 9.722 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.258 7.573 9.322 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.514 8.368 8.579 1.00 0.00 C ATOM 0 H VAL A 109 -4.255 6.153 9.377 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.078 5.657 9.439 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.745 8.458 10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.163 8.529 9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.305 7.189 10.172 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.198 6.863 8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.062 9.313 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.516 7.680 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.539 8.544 8.906 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.516 5.247 12.278 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.084 4.806 13.598 1.00 0.00 C ATOM 1747 C ARG A 110 -0.774 4.028 13.510 1.00 0.00 C ATOM 1748 O ARG A 110 0.244 4.442 14.064 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.162 3.937 14.248 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.522 4.613 14.327 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.552 5.678 15.412 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.100 6.975 14.918 1.00 0.00 N ATOM 1753 CZ ARG A 110 -4.340 8.123 15.541 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -5.024 8.135 16.677 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -3.895 9.264 15.029 1.00 0.00 N ATOM 0 H ARG A 110 -3.431 4.896 11.994 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.921 5.691 14.213 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.259 3.010 13.684 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.841 3.666 15.254 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.761 5.066 13.365 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.290 3.866 14.528 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.566 5.771 15.800 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.920 5.366 16.243 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.571 7.001 14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.367 7.261 17.075 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.207 9.018 17.153 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.368 9.260 14.156 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.080 10.145 15.509 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.809 2.899 12.811 1.00 0.00 N ATOM 1770 CA ASP A 111 0.375 2.062 12.650 1.00 0.00 C ATOM 1771 C ASP A 111 0.630 1.760 11.176 1.00 0.00 C ATOM 1772 O ASP A 111 0.098 0.795 10.629 1.00 0.00 O ATOM 1773 CB ASP A 111 0.214 0.757 13.430 1.00 0.00 C ATOM 1774 CG ASP A 111 0.622 0.897 14.883 1.00 0.00 C ATOM 1775 OD1 ASP A 111 0.588 2.032 15.402 1.00 0.00 O ATOM 1776 OD2 ASP A 111 0.978 -0.129 15.502 1.00 0.00 O ATOM 0 H ASP A 111 -1.644 2.542 12.347 1.00 0.00 H new ATOM 0 HA ASP A 111 1.232 2.608 13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.825 0.431 13.377 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.816 -0.021 12.960 1.00 0.00 H new ATOM 1781 N PHE A 112 1.447 2.593 10.540 1.00 0.00 N ATOM 1782 CA PHE A 112 1.771 2.417 9.129 1.00 0.00 C ATOM 1783 C PHE A 112 2.700 1.223 8.930 1.00 0.00 C ATOM 1784 O PHE A 112 2.560 0.468 7.969 1.00 0.00 O ATOM 1785 CB PHE A 112 2.423 3.684 8.572 1.00 0.00 C ATOM 1786 CG PHE A 112 2.611 3.655 7.082 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.532 3.447 6.238 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.867 3.838 6.525 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.703 3.419 4.867 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.044 3.812 5.154 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.960 3.603 4.324 1.00 0.00 C ATOM 0 H PHE A 112 1.897 3.396 10.979 1.00 0.00 H new ATOM 0 HA PHE A 112 0.843 2.227 8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.809 4.545 8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.392 3.825 9.050 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.546 3.305 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.718 4.003 7.170 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.854 3.253 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.028 3.955 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.095 3.583 3.253 1.00 0.00 H new ATOM 1801 N GLY A 113 3.650 1.060 9.846 1.00 0.00 N ATOM 1802 CA GLY A 113 4.589 -0.043 9.753 1.00 0.00 C ATOM 1803 C GLY A 113 3.912 -1.351 9.397 1.00 0.00 C ATOM 1804 O GLY A 113 4.485 -2.184 8.693 1.00 0.00 O ATOM 0 H GLY A 113 3.786 1.672 10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.344 0.189 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.110 -0.154 10.704 1.00 0.00 H new ATOM 1808 N LYS A 114 2.690 -1.536 9.885 1.00 0.00 N ATOM 1809 CA LYS A 114 1.934 -2.753 9.615 1.00 0.00 C ATOM 1810 C LYS A 114 1.616 -2.878 8.129 1.00 0.00 C ATOM 1811 O LYS A 114 1.633 -3.974 7.569 1.00 0.00 O ATOM 1812 CB LYS A 114 0.637 -2.763 10.428 1.00 0.00 C ATOM 1813 CG LYS A 114 0.840 -3.115 11.892 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.465 -3.529 12.551 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.808 -4.979 12.246 1.00 0.00 C ATOM 1816 NZ LYS A 114 -0.223 -5.911 13.250 1.00 0.00 N ATOM 0 H LYS A 114 2.202 -0.858 10.470 1.00 0.00 H new ATOM 0 HA LYS A 114 2.547 -3.605 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.168 -1.781 10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.055 -3.478 9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.564 -3.925 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.259 -2.258 12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.389 -3.391 13.630 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.271 -2.882 12.203 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.891 -5.100 12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.441 -5.238 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.480 -6.889 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.813 -5.815 13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.593 -5.681 14.194 1.00 0.00 H new ATOM 1830 N VAL A 115 1.326 -1.746 7.493 1.00 0.00 N ATOM 1831 CA VAL A 115 1.006 -1.729 6.071 1.00 0.00 C ATOM 1832 C VAL A 115 2.240 -2.027 5.227 1.00 0.00 C ATOM 1833 O VAL A 115 2.160 -2.731 4.219 1.00 0.00 O ATOM 1834 CB VAL A 115 0.422 -0.369 5.644 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.066 -0.426 4.205 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.702 0.045 6.581 1.00 0.00 C ATOM 0 H VAL A 115 1.306 -0.830 7.941 1.00 0.00 H new ATOM 0 HA VAL A 115 0.259 -2.505 5.905 1.00 0.00 H new ATOM 0 HB VAL A 115 1.210 0.381 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.475 0.544 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.767 -0.675 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.840 -1.188 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.103 1.008 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.493 -0.704 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.316 0.129 7.597 1.00 0.00 H new ATOM 1846 N ILE A 116 3.380 -1.488 5.644 1.00 0.00 N ATOM 1847 CA ILE A 116 4.632 -1.698 4.927 1.00 0.00 C ATOM 1848 C ILE A 116 5.011 -3.175 4.904 1.00 0.00 C ATOM 1849 O ILE A 116 5.419 -3.705 3.871 1.00 0.00 O ATOM 1850 CB ILE A 116 5.784 -0.894 5.557 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.391 0.579 5.694 1.00 0.00 C ATOM 1852 CG2 ILE A 116 7.048 -1.035 4.722 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.467 1.434 6.326 1.00 0.00 C ATOM 0 H ILE A 116 3.463 -0.902 6.475 1.00 0.00 H new ATOM 0 HA ILE A 116 4.473 -1.350 3.906 1.00 0.00 H new ATOM 0 HB ILE A 116 5.984 -1.292 6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.155 0.977 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.483 0.650 6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.853 -0.461 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.335 -2.085 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.863 -0.660 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.120 2.465 6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.688 1.061 7.326 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.370 1.393 5.716 1.00 0.00 H new ATOM 1865 N GLU A 117 4.871 -3.834 6.050 1.00 0.00 N ATOM 1866 CA GLU A 117 5.198 -5.251 6.160 1.00 0.00 C ATOM 1867 C GLU A 117 4.388 -6.076 5.164 1.00 0.00 C ATOM 1868 O GLU A 117 4.945 -6.828 4.364 1.00 0.00 O ATOM 1869 CB GLU A 117 4.937 -5.748 7.583 1.00 0.00 C ATOM 1870 CG GLU A 117 5.590 -7.085 7.891 1.00 0.00 C ATOM 1871 CD GLU A 117 5.587 -7.409 9.372 1.00 0.00 C ATOM 1872 OE1 GLU A 117 6.408 -6.822 10.109 1.00 0.00 O ATOM 1873 OE2 GLU A 117 4.765 -8.249 9.795 1.00 0.00 O ATOM 0 H GLU A 117 4.534 -3.410 6.914 1.00 0.00 H new ATOM 0 HA GLU A 117 6.256 -5.372 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.301 -5.004 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.861 -5.835 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.067 -7.873 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.617 -7.076 7.527 1.00 0.00 H new ATOM 1880 N THR A 118 3.068 -5.930 5.220 1.00 0.00 N ATOM 1881 CA THR A 118 2.179 -6.661 4.326 1.00 0.00 C ATOM 1882 C THR A 118 2.749 -6.722 2.913 1.00 0.00 C ATOM 1883 O THR A 118 2.846 -7.796 2.317 1.00 0.00 O ATOM 1884 CB THR A 118 0.780 -6.019 4.275 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.291 -5.805 5.604 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.193 -6.902 3.508 1.00 0.00 C ATOM 0 H THR A 118 2.591 -5.311 5.876 1.00 0.00 H new ATOM 0 HA THR A 118 2.092 -7.672 4.725 1.00 0.00 H new ATOM 0 HB THR A 118 0.862 -5.062 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.336 -6.520 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.174 -6.428 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.167 -7.040 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.270 -7.872 4.000 1.00 0.00 H new ATOM 1894 N LEU A 119 3.127 -5.564 2.382 1.00 0.00 N ATOM 1895 CA LEU A 119 3.689 -5.486 1.038 1.00 0.00 C ATOM 1896 C LEU A 119 4.989 -6.277 0.945 1.00 0.00 C ATOM 1897 O LEU A 119 5.262 -6.925 -0.065 1.00 0.00 O ATOM 1898 CB LEU A 119 3.938 -4.026 0.653 1.00 0.00 C ATOM 1899 CG LEU A 119 2.788 -3.055 0.922 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.231 -1.622 0.673 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.584 -3.402 0.058 1.00 0.00 C ATOM 0 H LEU A 119 3.055 -4.667 2.861 1.00 0.00 H new ATOM 0 HA LEU A 119 2.970 -5.921 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.818 -3.674 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.179 -3.987 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 119 2.497 -3.147 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.400 -0.945 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.062 -1.378 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.549 -1.515 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.775 -2.701 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.861 -3.339 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.252 -4.415 0.286 1.00 0.00 H new ATOM 1913 N SER A 120 5.787 -6.222 2.007 1.00 0.00 N ATOM 1914 CA SER A 120 7.060 -6.933 2.044 1.00 0.00 C ATOM 1915 C SER A 120 6.879 -8.393 1.641 1.00 0.00 C ATOM 1916 O SER A 120 7.655 -8.931 0.852 1.00 0.00 O ATOM 1917 CB SER A 120 7.673 -6.850 3.443 1.00 0.00 C ATOM 1918 OG SER A 120 9.065 -7.114 3.407 1.00 0.00 O ATOM 0 H SER A 120 5.575 -5.693 2.853 1.00 0.00 H new ATOM 0 HA SER A 120 7.734 -6.459 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.498 -5.859 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.181 -7.565 4.102 1.00 0.00 H new ATOM 0 HG SER A 120 9.496 -6.512 2.765 1.00 0.00 H new ATOM 1924 N ARG A 121 5.848 -9.028 2.190 1.00 0.00 N ATOM 1925 CA ARG A 121 5.565 -10.427 1.889 1.00 0.00 C ATOM 1926 C ARG A 121 4.828 -10.558 0.560 1.00 0.00 C ATOM 1927 O ARG A 121 5.056 -11.502 -0.198 1.00 0.00 O ATOM 1928 CB ARG A 121 4.733 -11.053 3.010 1.00 0.00 C ATOM 1929 CG ARG A 121 3.428 -10.322 3.281 1.00 0.00 C ATOM 1930 CD ARG A 121 2.561 -11.080 4.274 1.00 0.00 C ATOM 1931 NE ARG A 121 1.719 -10.184 5.061 1.00 0.00 N ATOM 1932 CZ ARG A 121 2.129 -9.572 6.166 1.00 0.00 C ATOM 1933 NH1 ARG A 121 3.364 -9.758 6.611 1.00 0.00 N ATOM 1934 NH2 ARG A 121 1.304 -8.771 6.828 1.00 0.00 N ATOM 0 H ARG A 121 5.196 -8.597 2.845 1.00 0.00 H new ATOM 0 HA ARG A 121 6.515 -10.956 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.513 -12.089 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.326 -11.071 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.641 -9.326 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.883 -10.190 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.932 -11.790 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.198 -11.659 4.943 1.00 0.00 H new ATOM 0 HE ARG A 121 0.763 -10.019 4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.002 -10.372 6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.677 -9.287 7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.353 -8.625 6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.620 -8.302 7.677 1.00 0.00 H new ATOM 1948 N LEU A 122 3.943 -9.607 0.283 1.00 0.00 N ATOM 1949 CA LEU A 122 3.171 -9.616 -0.955 1.00 0.00 C ATOM 1950 C LEU A 122 4.079 -9.835 -2.161 1.00 0.00 C ATOM 1951 O LEU A 122 3.782 -10.651 -3.034 1.00 0.00 O ATOM 1952 CB LEU A 122 2.405 -8.301 -1.111 1.00 0.00 C ATOM 1953 CG LEU A 122 1.699 -8.091 -2.451 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.707 -9.214 -2.713 1.00 0.00 C ATOM 1955 CD2 LEU A 122 0.998 -6.741 -2.478 1.00 0.00 C ATOM 0 H LEU A 122 3.742 -8.819 0.899 1.00 0.00 H new ATOM 0 HA LEU A 122 2.459 -10.440 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.660 -8.241 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 122 3.102 -7.477 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 122 2.449 -8.105 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.214 -9.048 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.235 -10.167 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.040 -9.233 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.501 -6.608 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.259 -6.699 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.731 -5.947 -2.336 1.00 0.00 H new ATOM 1967 N SER A 123 5.188 -9.104 -2.201 1.00 0.00 N ATOM 1968 CA SER A 123 6.139 -9.218 -3.301 1.00 0.00 C ATOM 1969 C SER A 123 6.547 -10.672 -3.518 1.00 0.00 C ATOM 1970 O SER A 123 6.965 -11.053 -4.611 1.00 0.00 O ATOM 1971 CB SER A 123 7.378 -8.365 -3.021 1.00 0.00 C ATOM 1972 OG SER A 123 8.282 -9.044 -2.166 1.00 0.00 O ATOM 0 H SER A 123 5.450 -8.427 -1.485 1.00 0.00 H new ATOM 0 HA SER A 123 5.654 -8.856 -4.208 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.875 -8.120 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.078 -7.422 -2.564 1.00 0.00 H new ATOM 0 HG SER A 123 7.982 -8.957 -1.237 1.00 0.00 H new ATOM 1978 N ARG A 124 6.421 -11.478 -2.470 1.00 0.00 N ATOM 1979 CA ARG A 124 6.777 -12.890 -2.544 1.00 0.00 C ATOM 1980 C ARG A 124 5.941 -13.606 -3.601 1.00 0.00 C ATOM 1981 O ARG A 124 6.376 -14.600 -4.185 1.00 0.00 O ATOM 1982 CB ARG A 124 6.582 -13.560 -1.183 1.00 0.00 C ATOM 1983 CG ARG A 124 5.151 -13.998 -0.920 1.00 0.00 C ATOM 1984 CD ARG A 124 4.908 -15.423 -1.392 1.00 0.00 C ATOM 1985 NE ARG A 124 3.534 -15.854 -1.149 1.00 0.00 N ATOM 1986 CZ ARG A 124 3.141 -17.122 -1.204 1.00 0.00 C ATOM 1987 NH1 ARG A 124 4.013 -18.078 -1.494 1.00 0.00 N ATOM 1988 NH2 ARG A 124 1.873 -17.435 -0.970 1.00 0.00 N ATOM 0 H ARG A 124 6.075 -11.178 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 124 7.827 -12.960 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.237 -14.429 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.891 -12.868 -0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.938 -13.926 0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.463 -13.323 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.127 -15.494 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 124 5.595 -16.097 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 124 2.838 -15.143 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.988 -17.841 -1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.708 -19.051 -1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.199 -16.702 -0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.572 -18.409 -1.012 1.00 0.00 H new ATOM 2002 N THR A 125 4.737 -13.096 -3.841 1.00 0.00 N ATOM 2003 CA THR A 125 3.839 -13.687 -4.825 1.00 0.00 C ATOM 2004 C THR A 125 4.490 -13.739 -6.203 1.00 0.00 C ATOM 2005 O THR A 125 5.335 -12.913 -6.548 1.00 0.00 O ATOM 2006 CB THR A 125 2.518 -12.901 -4.923 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.764 -11.594 -5.452 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.854 -12.786 -3.559 1.00 0.00 C ATOM 0 H THR A 125 4.361 -12.275 -3.367 1.00 0.00 H new ATOM 0 HA THR A 125 3.626 -14.702 -4.489 1.00 0.00 H new ATOM 0 HB THR A 125 1.847 -13.442 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.163 -11.030 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.923 -12.227 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.641 -13.783 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.521 -12.266 -2.872 1.00 0.00 H new ATOM 2016 N PRO A 126 4.089 -14.732 -7.011 1.00 0.00 N ATOM 2017 CA PRO A 126 4.620 -14.914 -8.365 1.00 0.00 C ATOM 2018 C PRO A 126 4.160 -13.818 -9.320 1.00 0.00 C ATOM 2019 O PRO A 126 4.500 -13.831 -10.504 1.00 0.00 O ATOM 2020 CB PRO A 126 4.049 -16.269 -8.790 1.00 0.00 C ATOM 2021 CG PRO A 126 2.810 -16.430 -7.978 1.00 0.00 C ATOM 2022 CD PRO A 126 3.085 -15.752 -6.665 1.00 0.00 C ATOM 0 HA PRO A 126 5.709 -14.870 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.828 -16.288 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.757 -17.075 -8.596 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.954 -15.978 -8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.574 -17.484 -7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.183 -15.303 -6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.465 -16.454 -5.922 1.00 0.00 H new ATOM 2030 N ILE A 127 3.386 -12.872 -8.799 1.00 0.00 N ATOM 2031 CA ILE A 127 2.881 -11.768 -9.607 1.00 0.00 C ATOM 2032 C ILE A 127 3.804 -10.558 -9.521 1.00 0.00 C ATOM 2033 O ILE A 127 4.078 -9.901 -10.525 1.00 0.00 O ATOM 2034 CB ILE A 127 1.465 -11.352 -9.168 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.517 -12.552 -9.223 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.949 -10.222 -10.047 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.507 -13.373 -7.953 1.00 0.00 C ATOM 0 H ILE A 127 3.095 -12.848 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 127 2.844 -12.121 -10.638 1.00 0.00 H new ATOM 0 HB ILE A 127 1.510 -10.995 -8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.494 -12.197 -9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.802 -13.192 -10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.053 -9.939 -9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.614 -9.363 -9.962 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.916 -10.554 -11.085 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.187 -14.206 -8.064 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.508 -13.758 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 127 0.192 -12.747 -7.118 1.00 0.00 H new ATOM 2049 N ALA A 128 4.282 -10.269 -8.315 1.00 0.00 N ATOM 2050 CA ALA A 128 5.178 -9.139 -8.099 1.00 0.00 C ATOM 2051 C ALA A 128 6.548 -9.399 -8.715 1.00 0.00 C ATOM 2052 O ALA A 128 7.038 -8.608 -9.522 1.00 0.00 O ATOM 2053 CB ALA A 128 5.313 -8.850 -6.611 1.00 0.00 C ATOM 0 H ALA A 128 4.064 -10.801 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 128 4.747 -8.267 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.985 -8.004 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.334 -8.612 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.718 -9.727 -6.105 1.00 0.00 H new ATOM 2059 N LEU A 129 7.163 -10.512 -8.331 1.00 0.00 N ATOM 2060 CA LEU A 129 8.478 -10.877 -8.846 1.00 0.00 C ATOM 2061 C LEU A 129 8.458 -10.981 -10.367 1.00 0.00 C ATOM 2062 O LEU A 129 9.406 -10.577 -11.040 1.00 0.00 O ATOM 2063 CB LEU A 129 8.936 -12.204 -8.239 1.00 0.00 C ATOM 2064 CG LEU A 129 8.833 -12.317 -6.717 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.117 -13.742 -6.267 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.790 -11.343 -6.044 1.00 0.00 C ATOM 0 H LEU A 129 6.772 -11.178 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 129 9.181 -10.094 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.347 -13.006 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.974 -12.373 -8.526 1.00 0.00 H new ATOM 0 HG LEU A 129 7.816 -12.060 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.039 -13.803 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.393 -14.418 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.123 -14.027 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.703 -11.437 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.812 -11.569 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.541 -10.324 -6.341 1.00 0.00 H new ATOM 2078 N ALA A 130 7.370 -11.523 -10.904 1.00 0.00 N ATOM 2079 CA ALA A 130 7.224 -11.676 -12.346 1.00 0.00 C ATOM 2080 C ALA A 130 7.644 -10.406 -13.078 1.00 0.00 C ATOM 2081 O ALA A 130 8.423 -10.454 -14.031 1.00 0.00 O ATOM 2082 CB ALA A 130 5.788 -12.037 -12.696 1.00 0.00 C ATOM 0 H ALA A 130 6.576 -11.864 -10.361 1.00 0.00 H new ATOM 0 HA ALA A 130 7.880 -12.485 -12.668 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.694 -12.148 -13.776 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.520 -12.975 -12.210 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.120 -11.247 -12.353 1.00 0.00 H new ATOM 2088 N THR A 131 7.124 -9.268 -12.627 1.00 0.00 N ATOM 2089 CA THR A 131 7.445 -7.986 -13.240 1.00 0.00 C ATOM 2090 C THR A 131 8.951 -7.757 -13.282 1.00 0.00 C ATOM 2091 O THR A 131 9.475 -7.181 -14.234 1.00 0.00 O ATOM 2092 CB THR A 131 6.781 -6.820 -12.483 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.407 -6.644 -11.207 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.293 -7.075 -12.293 1.00 0.00 C ATOM 0 H THR A 131 6.479 -9.209 -11.839 1.00 0.00 H new ATOM 0 HA THR A 131 7.057 -8.017 -14.258 1.00 0.00 H new ATOM 0 HB THR A 131 6.905 -5.914 -13.076 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.967 -7.217 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.846 -6.238 -11.756 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.814 -7.179 -13.267 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.151 -7.991 -11.720 1.00 0.00 H new ATOM 2102 N GLY A 132 9.644 -8.213 -12.243 1.00 0.00 N ATOM 2103 CA GLY A 132 11.084 -8.049 -12.181 1.00 0.00 C ATOM 2104 C GLY A 132 11.496 -6.851 -11.349 1.00 0.00 C ATOM 2105 O GLY A 132 12.606 -6.338 -11.496 1.00 0.00 O ATOM 0 H GLY A 132 9.233 -8.693 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.531 -8.950 -11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.478 -7.938 -13.191 1.00 0.00 H new ATOM 2109 N ILE A 133 10.601 -6.404 -10.475 1.00 0.00 N ATOM 2110 CA ILE A 133 10.878 -5.259 -9.617 1.00 0.00 C ATOM 2111 C ILE A 133 11.721 -5.665 -8.412 1.00 0.00 C ATOM 2112 O ILE A 133 11.513 -6.728 -7.826 1.00 0.00 O ATOM 2113 CB ILE A 133 9.578 -4.600 -9.120 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.760 -4.079 -10.304 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.893 -3.472 -8.149 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.294 -3.885 -9.987 1.00 0.00 C ATOM 0 H ILE A 133 9.678 -6.817 -10.342 1.00 0.00 H new ATOM 0 HA ILE A 133 11.433 -4.540 -10.220 1.00 0.00 H new ATOM 0 HB ILE A 133 8.986 -5.349 -8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.180 -3.130 -10.636 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.854 -4.777 -11.136 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.964 -3.016 -7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.439 -3.870 -7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.503 -2.720 -8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.776 -3.514 -10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.858 -4.837 -9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.189 -3.164 -9.176 1.00 0.00 H new ATOM 2128 N ARG A 134 12.672 -4.812 -8.048 1.00 0.00 N ATOM 2129 CA ARG A 134 13.547 -5.081 -6.913 1.00 0.00 C ATOM 2130 C ARG A 134 12.748 -5.610 -5.725 1.00 0.00 C ATOM 2131 O ARG A 134 12.066 -4.863 -5.022 1.00 0.00 O ATOM 2132 CB ARG A 134 14.301 -3.813 -6.510 1.00 0.00 C ATOM 2133 CG ARG A 134 13.390 -2.638 -6.190 1.00 0.00 C ATOM 2134 CD ARG A 134 14.155 -1.324 -6.191 1.00 0.00 C ATOM 2135 NE ARG A 134 14.766 -1.047 -7.488 1.00 0.00 N ATOM 2136 CZ ARG A 134 15.990 -1.440 -7.823 1.00 0.00 C ATOM 2137 NH1 ARG A 134 16.729 -2.124 -6.961 1.00 0.00 N ATOM 2138 NH2 ARG A 134 16.476 -1.149 -9.023 1.00 0.00 N ATOM 0 H ARG A 134 12.857 -3.928 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 134 14.267 -5.842 -7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.920 -4.030 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.976 -3.529 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 134 12.584 -2.591 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.927 -2.790 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.479 -0.511 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 134 14.930 -1.355 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 134 14.223 -0.523 -8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 134 16.358 -2.350 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 134 17.668 -2.425 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 134 15.910 -0.623 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.416 -1.451 -9.280 1.00 0.00 H new ATOM 2152 N PRO A 135 12.833 -6.928 -5.494 1.00 0.00 N ATOM 2153 CA PRO A 135 12.124 -7.586 -4.392 1.00 0.00 C ATOM 2154 C PRO A 135 12.698 -7.211 -3.029 1.00 0.00 C ATOM 2155 O PRO A 135 13.912 -7.091 -2.867 1.00 0.00 O ATOM 2156 CB PRO A 135 12.339 -9.076 -4.671 1.00 0.00 C ATOM 2157 CG PRO A 135 13.598 -9.135 -5.465 1.00 0.00 C ATOM 2158 CD PRO A 135 13.626 -7.878 -6.291 1.00 0.00 C ATOM 0 HA PRO A 135 11.075 -7.294 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.428 -9.643 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.501 -9.500 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.469 -9.192 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.617 -10.020 -6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.644 -7.521 -6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.191 -8.036 -7.278 1.00 0.00 H new ATOM 2166 N PHE A 136 11.816 -7.028 -2.052 1.00 0.00 N ATOM 2167 CA PHE A 136 12.235 -6.667 -0.703 1.00 0.00 C ATOM 2168 C PHE A 136 13.483 -7.444 -0.294 1.00 0.00 C ATOM 2169 O PHE A 136 13.771 -8.523 -0.812 1.00 0.00 O ATOM 2170 CB PHE A 136 11.105 -6.934 0.294 1.00 0.00 C ATOM 2171 CG PHE A 136 10.087 -5.832 0.356 1.00 0.00 C ATOM 2172 CD1 PHE A 136 9.080 -5.747 -0.592 1.00 0.00 C ATOM 2173 CD2 PHE A 136 10.137 -4.880 1.362 1.00 0.00 C ATOM 2174 CE1 PHE A 136 8.141 -4.733 -0.537 1.00 0.00 C ATOM 2175 CE2 PHE A 136 9.201 -3.865 1.421 1.00 0.00 C ATOM 2176 CZ PHE A 136 8.203 -3.791 0.470 1.00 0.00 C ATOM 0 H PHE A 136 10.807 -7.124 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 136 12.472 -5.603 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.605 -7.864 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.533 -7.078 1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.028 -6.481 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.916 -4.932 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 136 7.360 -4.678 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.250 -3.130 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 136 7.472 -2.997 0.514 1.00 0.00 H new ATOM 2186 N PRO A 137 14.243 -6.882 0.658 1.00 0.00 N ATOM 2187 CA PRO A 137 15.473 -7.505 1.158 1.00 0.00 C ATOM 2188 C PRO A 137 15.196 -8.758 1.981 1.00 0.00 C ATOM 2189 O PRO A 137 16.120 -9.451 2.405 1.00 0.00 O ATOM 2190 CB PRO A 137 16.090 -6.414 2.036 1.00 0.00 C ATOM 2191 CG PRO A 137 14.937 -5.573 2.463 1.00 0.00 C ATOM 2192 CD PRO A 137 13.961 -5.598 1.320 1.00 0.00 C ATOM 0 HA PRO A 137 16.121 -7.837 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 137 16.607 -6.842 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 137 16.824 -5.828 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 137 14.483 -5.966 3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 137 15.257 -4.554 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 137 12.930 -5.545 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 137 14.112 -4.756 0.644 1.00 0.00 H new ATOM 2200 N SER A 138 13.916 -9.043 2.203 1.00 0.00 N ATOM 2201 CA SER A 138 13.518 -10.212 2.979 1.00 0.00 C ATOM 2202 C SER A 138 13.028 -11.330 2.063 1.00 0.00 C ATOM 2203 O SER A 138 11.959 -11.233 1.463 1.00 0.00 O ATOM 2204 CB SER A 138 12.420 -9.838 3.977 1.00 0.00 C ATOM 2205 OG SER A 138 11.795 -10.994 4.505 1.00 0.00 O ATOM 0 H SER A 138 13.138 -8.481 1.857 1.00 0.00 H new ATOM 0 HA SER A 138 14.391 -10.569 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 138 12.847 -9.249 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 138 11.676 -9.211 3.486 1.00 0.00 H new ATOM 0 HG SER A 138 11.099 -10.728 5.141 1.00 0.00 H new ATOM 2211 N GLY A 139 13.821 -12.393 1.962 1.00 0.00 N ATOM 2212 CA GLY A 139 13.453 -13.515 1.118 1.00 0.00 C ATOM 2213 C GLY A 139 14.658 -14.307 0.650 1.00 0.00 C ATOM 2214 O GLY A 139 15.780 -13.804 0.605 1.00 0.00 O ATOM 0 H GLY A 139 14.711 -12.497 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 139 12.780 -14.174 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 139 12.903 -13.149 0.251 1.00 0.00 H new ATOM 2218 N PRO A 140 14.430 -15.580 0.292 1.00 0.00 N ATOM 2219 CA PRO A 140 15.494 -16.471 -0.181 1.00 0.00 C ATOM 2220 C PRO A 140 16.015 -16.074 -1.558 1.00 0.00 C ATOM 2221 O PRO A 140 15.552 -15.099 -2.149 1.00 0.00 O ATOM 2222 CB PRO A 140 14.809 -17.839 -0.242 1.00 0.00 C ATOM 2223 CG PRO A 140 13.363 -17.531 -0.423 1.00 0.00 C ATOM 2224 CD PRO A 140 13.118 -16.246 0.319 1.00 0.00 C ATOM 0 HA PRO A 140 16.367 -16.444 0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 140 15.193 -18.437 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 140 14.981 -18.409 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 140 13.116 -17.425 -1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.740 -18.334 -0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 140 12.351 -15.642 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 140 12.782 -16.429 1.339 1.00 0.00 H new ATOM 2232 N SER A 141 16.980 -16.836 -2.063 1.00 0.00 N ATOM 2233 CA SER A 141 17.566 -16.560 -3.370 1.00 0.00 C ATOM 2234 C SER A 141 16.483 -16.461 -4.440 1.00 0.00 C ATOM 2235 O SER A 141 15.424 -17.078 -4.327 1.00 0.00 O ATOM 2236 CB SER A 141 18.569 -17.653 -3.742 1.00 0.00 C ATOM 2237 OG SER A 141 17.987 -18.941 -3.628 1.00 0.00 O ATOM 0 H SER A 141 17.372 -17.649 -1.588 1.00 0.00 H new ATOM 0 HA SER A 141 18.086 -15.603 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 141 18.919 -17.498 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 141 19.442 -17.586 -3.092 1.00 0.00 H new ATOM 0 HG SER A 141 18.648 -19.622 -3.873 1.00 0.00 H new ATOM 2243 N SER A 142 16.758 -15.680 -5.480 1.00 0.00 N ATOM 2244 CA SER A 142 15.807 -15.495 -6.570 1.00 0.00 C ATOM 2245 C SER A 142 16.121 -16.436 -7.729 1.00 0.00 C ATOM 2246 O SER A 142 16.929 -16.117 -8.601 1.00 0.00 O ATOM 2247 CB SER A 142 15.830 -14.045 -7.055 1.00 0.00 C ATOM 2248 OG SER A 142 15.436 -13.156 -6.024 1.00 0.00 O ATOM 0 H SER A 142 17.632 -15.165 -5.591 1.00 0.00 H new ATOM 0 HA SER A 142 14.811 -15.728 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 142 16.833 -13.789 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 142 15.163 -13.934 -7.910 1.00 0.00 H new ATOM 0 HG SER A 142 15.461 -12.235 -6.359 1.00 0.00 H new ATOM 2254 N GLY A 143 15.475 -17.598 -7.732 1.00 0.00 N ATOM 2255 CA GLY A 143 15.698 -18.569 -8.787 1.00 0.00 C ATOM 2256 C GLY A 143 14.452 -18.825 -9.612 1.00 0.00 C ATOM 2257 O GLY A 143 13.334 -18.633 -9.135 1.00 0.00 O ATOM 0 H GLY A 143 14.801 -17.884 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 143 16.496 -18.215 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 143 16.038 -19.507 -8.348 1.00 0.00 H new TER 2261 GLY A 143