USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 58 ASN : amide:sc= -0.799 K(o=-2.6,f=-0.024) USER MOD Set 1.2: A 76 GLN : amide:sc= -1.81 K(o=-2.6,f=0.083) USER MOD Set 2.1: A 51 THR OG1 : rot 108:sc= 1.35 USER MOD Set 2.2: A 52 HIS : no HD1:sc= 0.25 K(o=1.6,f=-8.8!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0808 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.0849 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -4.79! C(o=-4.8!,f=-3.7!) USER MOD Single : A 16 CYS SG : rot 61:sc= 1.14 USER MOD Single : A 19 SER OG : rot -150:sc= -2.46! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -153:sc= -4.22! (180deg=-8.03!) USER MOD Single : A 34 MET CE :methyl -174:sc= 0 (180deg=-0.00312) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 134:sc= -0.15 (180deg=-1.17) USER MOD Single : A 38 GLN : amide:sc= -1.95 X(o=-2,f=-2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -2.36 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0.00197 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= -0.0515 (180deg=-1.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 90:sc= 0.0884 USER MOD Single : A 84 GLN : amide:sc= -0.0861 K(o=-0.086,f=-0.67) USER MOD Single : A 85 MET CE :methyl -148:sc= -3.85! (180deg=-5.19!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -3.65! C(o=-3.7!,f=-4!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 28:sc= 0.253 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0929 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.692 30.085 14.665 1.00 0.00 N ATOM 2 CA GLY A 1 -5.565 30.602 13.912 1.00 0.00 C ATOM 3 C GLY A 1 -5.689 30.334 12.425 1.00 0.00 C ATOM 4 O GLY A 1 -6.722 29.855 11.957 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.186 30.871 15.133 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.347 29.599 14.020 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.351 29.414 15.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.483 31.676 14.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.645 30.150 14.284 1.00 0.00 H new ATOM 8 N SER A 2 -4.633 30.646 11.679 1.00 0.00 N ATOM 9 CA SER A 2 -4.631 30.442 10.235 1.00 0.00 C ATOM 10 C SER A 2 -4.238 29.008 9.890 1.00 0.00 C ATOM 11 O SER A 2 -3.193 28.519 10.319 1.00 0.00 O ATOM 12 CB SER A 2 -3.668 31.422 9.562 1.00 0.00 C ATOM 13 OG SER A 2 -2.382 31.361 10.153 1.00 0.00 O ATOM 0 H SER A 2 -3.769 31.041 12.051 1.00 0.00 H new ATOM 0 HA SER A 2 -5.640 30.623 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.594 31.192 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.061 32.436 9.642 1.00 0.00 H new ATOM 0 HG SER A 2 -2.140 30.425 10.314 1.00 0.00 H new ATOM 19 N SER A 3 -5.085 28.340 9.113 1.00 0.00 N ATOM 20 CA SER A 3 -4.829 26.961 8.713 1.00 0.00 C ATOM 21 C SER A 3 -5.341 26.703 7.299 1.00 0.00 C ATOM 22 O SER A 3 -6.491 26.998 6.979 1.00 0.00 O ATOM 23 CB SER A 3 -5.494 25.992 9.693 1.00 0.00 C ATOM 24 OG SER A 3 -5.274 24.647 9.307 1.00 0.00 O ATOM 0 H SER A 3 -5.954 28.731 8.748 1.00 0.00 H new ATOM 0 HA SER A 3 -3.751 26.798 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.099 26.155 10.696 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.565 26.191 9.736 1.00 0.00 H new ATOM 0 HG SER A 3 -5.707 24.047 9.950 1.00 0.00 H new ATOM 30 N GLY A 4 -4.475 26.148 6.455 1.00 0.00 N ATOM 31 CA GLY A 4 -4.856 25.859 5.085 1.00 0.00 C ATOM 32 C GLY A 4 -4.204 24.596 4.557 1.00 0.00 C ATOM 33 O GLY A 4 -3.002 24.394 4.724 1.00 0.00 O ATOM 0 H GLY A 4 -3.517 25.894 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.940 25.757 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.580 26.700 4.449 1.00 0.00 H new ATOM 37 N SER A 5 -5.000 23.744 3.919 1.00 0.00 N ATOM 38 CA SER A 5 -4.495 22.491 3.369 1.00 0.00 C ATOM 39 C SER A 5 -3.943 22.699 1.962 1.00 0.00 C ATOM 40 O SER A 5 -4.698 22.897 1.010 1.00 0.00 O ATOM 41 CB SER A 5 -5.603 21.437 3.343 1.00 0.00 C ATOM 42 OG SER A 5 -5.068 20.140 3.146 1.00 0.00 O ATOM 0 H SER A 5 -5.997 23.898 3.770 1.00 0.00 H new ATOM 0 HA SER A 5 -3.686 22.142 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.159 21.466 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.310 21.667 2.546 1.00 0.00 H new ATOM 0 HG SER A 5 -5.796 19.484 3.135 1.00 0.00 H new ATOM 48 N SER A 6 -2.620 22.654 1.839 1.00 0.00 N ATOM 49 CA SER A 6 -1.965 22.841 0.550 1.00 0.00 C ATOM 50 C SER A 6 -2.706 22.086 -0.550 1.00 0.00 C ATOM 51 O SER A 6 -2.625 20.862 -0.641 1.00 0.00 O ATOM 52 CB SER A 6 -0.512 22.368 0.619 1.00 0.00 C ATOM 53 OG SER A 6 0.147 22.561 -0.621 1.00 0.00 O ATOM 0 H SER A 6 -1.981 22.490 2.617 1.00 0.00 H new ATOM 0 HA SER A 6 -1.982 23.905 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.014 22.913 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.482 21.313 0.890 1.00 0.00 H new ATOM 0 HG SER A 6 1.074 22.252 -0.550 1.00 0.00 H new ATOM 59 N GLY A 7 -3.427 22.828 -1.385 1.00 0.00 N ATOM 60 CA GLY A 7 -4.172 22.213 -2.468 1.00 0.00 C ATOM 61 C GLY A 7 -3.272 21.716 -3.582 1.00 0.00 C ATOM 62 O GLY A 7 -2.064 21.950 -3.565 1.00 0.00 O ATOM 0 H GLY A 7 -3.508 23.843 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.755 21.379 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.881 22.935 -2.873 1.00 0.00 H new ATOM 66 N PHE A 8 -3.861 21.026 -4.553 1.00 0.00 N ATOM 67 CA PHE A 8 -3.104 20.492 -5.679 1.00 0.00 C ATOM 68 C PHE A 8 -2.146 19.397 -5.219 1.00 0.00 C ATOM 69 O PHE A 8 -0.965 19.403 -5.566 1.00 0.00 O ATOM 70 CB PHE A 8 -2.323 21.610 -6.373 1.00 0.00 C ATOM 71 CG PHE A 8 -2.081 21.356 -7.833 1.00 0.00 C ATOM 72 CD1 PHE A 8 -0.947 20.682 -8.254 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.989 21.792 -8.785 1.00 0.00 C ATOM 74 CE1 PHE A 8 -0.721 20.446 -9.597 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.769 21.559 -10.129 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.634 20.886 -10.536 1.00 0.00 C ATOM 0 H PHE A 8 -4.860 20.824 -4.583 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.811 20.059 -6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.869 22.547 -6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.364 21.738 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.230 20.336 -7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.878 22.320 -8.473 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.167 19.919 -9.912 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.485 21.903 -10.861 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.460 20.704 -11.586 1.00 0.00 H new ATOM 86 N LYS A 9 -2.664 18.457 -4.436 1.00 0.00 N ATOM 87 CA LYS A 9 -1.857 17.353 -3.928 1.00 0.00 C ATOM 88 C LYS A 9 -2.450 16.010 -4.342 1.00 0.00 C ATOM 89 O LYS A 9 -3.665 15.878 -4.496 1.00 0.00 O ATOM 90 CB LYS A 9 -1.754 17.430 -2.403 1.00 0.00 C ATOM 91 CG LYS A 9 -0.682 16.526 -1.820 1.00 0.00 C ATOM 92 CD LYS A 9 0.701 17.139 -1.958 1.00 0.00 C ATOM 93 CE LYS A 9 1.758 16.292 -1.268 1.00 0.00 C ATOM 94 NZ LYS A 9 2.268 15.210 -2.155 1.00 0.00 N ATOM 0 H LYS A 9 -3.640 18.437 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.859 17.437 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.546 18.460 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.718 17.164 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.895 16.340 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.705 15.560 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.950 17.244 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.700 18.141 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.587 16.928 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.337 15.852 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.987 14.655 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.482 14.588 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.692 15.630 -3.006 1.00 0.00 H new ATOM 108 N VAL A 10 -1.586 15.016 -4.518 1.00 0.00 N ATOM 109 CA VAL A 10 -2.025 13.682 -4.911 1.00 0.00 C ATOM 110 C VAL A 10 -1.644 12.646 -3.859 1.00 0.00 C ATOM 111 O VAL A 10 -0.498 12.567 -3.416 1.00 0.00 O ATOM 112 CB VAL A 10 -1.420 13.268 -6.265 1.00 0.00 C ATOM 113 CG1 VAL A 10 -1.680 11.795 -6.539 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.979 14.133 -7.385 1.00 0.00 C ATOM 0 H VAL A 10 -0.578 15.109 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.110 13.721 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.342 13.420 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.245 11.521 -7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.227 11.193 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.755 11.613 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.541 13.827 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.062 14.015 -7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.736 15.178 -7.194 1.00 0.00 H new ATOM 124 N PRO A 11 -2.627 11.832 -3.447 1.00 0.00 N ATOM 125 CA PRO A 11 -2.419 10.785 -2.443 1.00 0.00 C ATOM 126 C PRO A 11 -1.558 9.641 -2.967 1.00 0.00 C ATOM 127 O PRO A 11 -1.472 9.399 -4.171 1.00 0.00 O ATOM 128 CB PRO A 11 -3.838 10.293 -2.144 1.00 0.00 C ATOM 129 CG PRO A 11 -4.615 10.607 -3.376 1.00 0.00 C ATOM 130 CD PRO A 11 -4.017 11.870 -3.932 1.00 0.00 C ATOM 0 HA PRO A 11 -1.890 11.160 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.850 9.224 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.256 10.797 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.548 9.793 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.672 10.744 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.062 11.890 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.543 12.755 -3.574 1.00 0.00 H new ATOM 138 N PRO A 12 -0.905 8.919 -2.044 1.00 0.00 N ATOM 139 CA PRO A 12 -0.040 7.788 -2.391 1.00 0.00 C ATOM 140 C PRO A 12 -0.830 6.591 -2.909 1.00 0.00 C ATOM 141 O PRO A 12 -0.254 5.625 -3.410 1.00 0.00 O ATOM 142 CB PRO A 12 0.643 7.444 -1.064 1.00 0.00 C ATOM 143 CG PRO A 12 -0.299 7.931 -0.017 1.00 0.00 C ATOM 144 CD PRO A 12 -0.962 9.152 -0.591 1.00 0.00 C ATOM 0 HA PRO A 12 0.655 8.038 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.816 6.372 -0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.614 7.931 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.036 7.167 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.232 8.172 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.989 9.254 -0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.437 10.065 -0.309 1.00 0.00 H new ATOM 152 N PHE A 13 -2.151 6.662 -2.787 1.00 0.00 N ATOM 153 CA PHE A 13 -3.020 5.584 -3.243 1.00 0.00 C ATOM 154 C PHE A 13 -4.023 6.093 -4.275 1.00 0.00 C ATOM 155 O PHE A 13 -5.002 5.417 -4.589 1.00 0.00 O ATOM 156 CB PHE A 13 -3.762 4.963 -2.058 1.00 0.00 C ATOM 157 CG PHE A 13 -2.850 4.458 -0.977 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.684 3.780 -1.296 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.158 4.661 0.359 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.842 3.315 -0.304 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.319 4.199 1.355 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.160 3.524 1.023 1.00 0.00 C ATOM 0 H PHE A 13 -2.643 7.455 -2.376 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.397 4.823 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.438 5.705 -1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.378 4.138 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.430 3.613 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.064 5.186 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.064 2.789 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.569 4.365 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.504 3.161 1.800 1.00 0.00 H new ATOM 172 N GLN A 14 -3.770 7.289 -4.797 1.00 0.00 N ATOM 173 CA GLN A 14 -4.650 7.889 -5.792 1.00 0.00 C ATOM 174 C GLN A 14 -5.035 6.873 -6.863 1.00 0.00 C ATOM 175 O GLN A 14 -4.171 6.282 -7.511 1.00 0.00 O ATOM 176 CB GLN A 14 -3.973 9.098 -6.440 1.00 0.00 C ATOM 177 CG GLN A 14 -4.953 10.120 -6.994 1.00 0.00 C ATOM 178 CD GLN A 14 -4.361 10.946 -8.119 1.00 0.00 C ATOM 179 OE1 GLN A 14 -3.860 10.404 -9.105 1.00 0.00 O ATOM 180 NE2 GLN A 14 -4.417 12.265 -7.978 1.00 0.00 N ATOM 0 H GLN A 14 -2.963 7.861 -4.547 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.558 8.217 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.333 9.583 -5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.326 8.753 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.843 9.605 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.273 10.784 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.841 12.671 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.036 12.872 -8.704 1.00 0.00 H new ATOM 189 N ASP A 15 -6.336 6.674 -7.042 1.00 0.00 N ATOM 190 CA ASP A 15 -6.835 5.730 -8.035 1.00 0.00 C ATOM 191 C ASP A 15 -6.086 4.404 -7.948 1.00 0.00 C ATOM 192 O ASP A 15 -5.789 3.779 -8.968 1.00 0.00 O ATOM 193 CB ASP A 15 -6.700 6.315 -9.441 1.00 0.00 C ATOM 194 CG ASP A 15 -7.723 5.748 -10.406 1.00 0.00 C ATOM 195 OD1 ASP A 15 -7.484 4.648 -10.944 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.762 6.406 -10.623 1.00 0.00 O ATOM 0 H ASP A 15 -7.064 7.154 -6.513 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.889 5.546 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.812 7.398 -9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.698 6.115 -9.820 1.00 0.00 H new ATOM 201 N CYS A 16 -5.783 3.980 -6.726 1.00 0.00 N ATOM 202 CA CYS A 16 -5.067 2.729 -6.507 1.00 0.00 C ATOM 203 C CYS A 16 -5.742 1.899 -5.420 1.00 0.00 C ATOM 204 O CYS A 16 -5.842 2.328 -4.270 1.00 0.00 O ATOM 205 CB CYS A 16 -3.613 3.010 -6.121 1.00 0.00 C ATOM 206 SG CYS A 16 -2.668 3.882 -7.392 1.00 0.00 S ATOM 0 H CYS A 16 -6.022 4.484 -5.872 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.086 2.161 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.599 3.600 -5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.118 2.065 -5.900 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.217 5.037 -7.626 1.00 0.00 H new ATOM 212 N ILE A 17 -6.205 0.711 -5.792 1.00 0.00 N ATOM 213 CA ILE A 17 -6.872 -0.178 -4.849 1.00 0.00 C ATOM 214 C ILE A 17 -5.895 -1.192 -4.264 1.00 0.00 C ATOM 215 O ILE A 17 -4.917 -1.573 -4.909 1.00 0.00 O ATOM 216 CB ILE A 17 -8.039 -0.932 -5.514 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.912 0.038 -6.312 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.867 -1.658 -4.464 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.589 -0.600 -7.505 1.00 0.00 C ATOM 0 H ILE A 17 -6.131 0.342 -6.740 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.264 0.449 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.630 -1.672 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.673 0.456 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.297 0.870 -6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.688 -2.186 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.237 -2.374 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.270 -0.935 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.191 0.146 -8.024 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.833 -0.993 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.231 -1.413 -7.167 1.00 0.00 H new ATOM 231 N LEU A 18 -6.165 -1.627 -3.038 1.00 0.00 N ATOM 232 CA LEU A 18 -5.311 -2.599 -2.365 1.00 0.00 C ATOM 233 C LEU A 18 -6.130 -3.505 -1.452 1.00 0.00 C ATOM 234 O LEU A 18 -7.230 -3.146 -1.029 1.00 0.00 O ATOM 235 CB LEU A 18 -4.229 -1.883 -1.555 1.00 0.00 C ATOM 236 CG LEU A 18 -3.656 -0.610 -2.179 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.459 0.606 -1.745 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.190 -0.445 -1.803 1.00 0.00 C ATOM 0 H LEU A 18 -6.969 -1.322 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.836 -3.217 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.642 -1.631 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.409 -2.581 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.725 -0.697 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.036 1.502 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.495 0.491 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.423 0.698 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.799 0.466 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.098 -0.380 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.623 -1.303 -2.165 1.00 0.00 H new ATOM 250 N SER A 19 -5.587 -4.680 -1.149 1.00 0.00 N ATOM 251 CA SER A 19 -6.268 -5.638 -0.286 1.00 0.00 C ATOM 252 C SER A 19 -5.352 -6.100 0.843 1.00 0.00 C ATOM 253 O SER A 19 -4.142 -5.880 0.805 1.00 0.00 O ATOM 254 CB SER A 19 -6.740 -6.844 -1.101 1.00 0.00 C ATOM 255 OG SER A 19 -5.744 -7.262 -2.017 1.00 0.00 O ATOM 0 H SER A 19 -4.677 -4.991 -1.489 1.00 0.00 H new ATOM 0 HA SER A 19 -7.134 -5.143 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.989 -7.666 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.651 -6.587 -1.642 1.00 0.00 H new ATOM 0 HG SER A 19 -6.170 -7.661 -2.804 1.00 0.00 H new ATOM 261 N PHE A 20 -5.940 -6.741 1.848 1.00 0.00 N ATOM 262 CA PHE A 20 -5.178 -7.233 2.990 1.00 0.00 C ATOM 263 C PHE A 20 -5.584 -8.662 3.339 1.00 0.00 C ATOM 264 O PHE A 20 -6.700 -8.908 3.798 1.00 0.00 O ATOM 265 CB PHE A 20 -5.387 -6.322 4.201 1.00 0.00 C ATOM 266 CG PHE A 20 -5.175 -4.866 3.899 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.903 -4.373 3.655 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.248 -3.990 3.859 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.705 -3.034 3.376 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.055 -2.650 3.581 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.782 -2.171 3.340 1.00 0.00 C ATOM 0 H PHE A 20 -6.941 -6.932 1.895 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.122 -7.229 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.399 -6.463 4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.704 -6.624 4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.056 -5.043 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.246 -4.358 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.709 -2.663 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.899 -1.977 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.630 -1.124 3.124 1.00 0.00 H new ATOM 281 N LEU A 21 -4.671 -9.601 3.117 1.00 0.00 N ATOM 282 CA LEU A 21 -4.933 -11.007 3.407 1.00 0.00 C ATOM 283 C LEU A 21 -4.025 -11.510 4.525 1.00 0.00 C ATOM 284 O LEU A 21 -2.801 -11.501 4.396 1.00 0.00 O ATOM 285 CB LEU A 21 -4.730 -11.854 2.149 1.00 0.00 C ATOM 286 CG LEU A 21 -4.568 -13.358 2.372 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.926 -14.022 2.537 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.800 -13.988 1.219 1.00 0.00 C ATOM 0 H LEU A 21 -3.743 -9.415 2.737 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.968 -11.098 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.581 -11.695 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.846 -11.487 1.627 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.998 -13.511 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.791 -15.092 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.440 -13.591 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.522 -13.860 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.694 -15.059 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.343 -13.825 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.812 -13.532 1.148 1.00 0.00 H new ATOM 300 N GLY A 22 -4.634 -11.952 5.621 1.00 0.00 N ATOM 301 CA GLY A 22 -3.865 -12.455 6.745 1.00 0.00 C ATOM 302 C GLY A 22 -4.185 -11.731 8.037 1.00 0.00 C ATOM 303 O GLY A 22 -4.513 -12.359 9.044 1.00 0.00 O ATOM 0 H GLY A 22 -5.646 -11.971 5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.064 -13.519 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.802 -12.353 6.529 1.00 0.00 H new ATOM 307 N PHE A 23 -4.090 -10.406 8.010 1.00 0.00 N ATOM 308 CA PHE A 23 -4.369 -9.595 9.190 1.00 0.00 C ATOM 309 C PHE A 23 -5.736 -9.939 9.774 1.00 0.00 C ATOM 310 O PHE A 23 -6.613 -10.447 9.075 1.00 0.00 O ATOM 311 CB PHE A 23 -4.312 -8.107 8.837 1.00 0.00 C ATOM 312 CG PHE A 23 -3.112 -7.732 8.015 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.127 -7.879 6.638 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.970 -7.233 8.620 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.025 -7.534 5.878 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.865 -6.886 7.866 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.892 -7.038 6.493 1.00 0.00 C ATOM 0 H PHE A 23 -3.822 -9.871 7.184 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.608 -9.813 9.939 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.216 -7.836 8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.309 -7.523 9.757 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.010 -8.268 6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.943 -7.114 9.693 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.050 -7.652 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.019 -6.496 8.349 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.029 -6.770 5.902 1.00 0.00 H new ATOM 327 N SER A 24 -5.910 -9.657 11.062 1.00 0.00 N ATOM 328 CA SER A 24 -7.168 -9.940 11.743 1.00 0.00 C ATOM 329 C SER A 24 -8.221 -8.891 11.396 1.00 0.00 C ATOM 330 O SER A 24 -7.896 -7.735 11.128 1.00 0.00 O ATOM 331 CB SER A 24 -6.955 -9.984 13.257 1.00 0.00 C ATOM 332 OG SER A 24 -8.065 -10.571 13.912 1.00 0.00 O ATOM 0 H SER A 24 -5.196 -9.233 11.654 1.00 0.00 H new ATOM 0 HA SER A 24 -7.524 -10.913 11.406 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.053 -10.552 13.484 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.799 -8.974 13.635 1.00 0.00 H new ATOM 0 HG SER A 24 -7.903 -10.589 14.878 1.00 0.00 H new ATOM 338 N ASP A 25 -9.483 -9.305 11.404 1.00 0.00 N ATOM 339 CA ASP A 25 -10.586 -8.402 11.092 1.00 0.00 C ATOM 340 C ASP A 25 -10.346 -7.022 11.697 1.00 0.00 C ATOM 341 O ASP A 25 -10.555 -6.002 11.042 1.00 0.00 O ATOM 342 CB ASP A 25 -11.905 -8.977 11.609 1.00 0.00 C ATOM 343 CG ASP A 25 -13.112 -8.350 10.938 1.00 0.00 C ATOM 344 OD1 ASP A 25 -13.384 -8.690 9.768 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.784 -7.519 11.584 1.00 0.00 O ATOM 0 H ASP A 25 -9.768 -10.260 11.623 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.644 -8.299 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.919 -10.054 11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.969 -8.820 12.686 1.00 0.00 H new ATOM 350 N GLU A 26 -9.906 -7.000 12.952 1.00 0.00 N ATOM 351 CA GLU A 26 -9.641 -5.745 13.645 1.00 0.00 C ATOM 352 C GLU A 26 -8.549 -4.951 12.934 1.00 0.00 C ATOM 353 O GLU A 26 -8.718 -3.768 12.642 1.00 0.00 O ATOM 354 CB GLU A 26 -9.229 -6.014 15.094 1.00 0.00 C ATOM 355 CG GLU A 26 -10.375 -6.479 15.976 1.00 0.00 C ATOM 356 CD GLU A 26 -10.598 -7.977 15.904 1.00 0.00 C ATOM 357 OE1 GLU A 26 -9.972 -8.710 16.698 1.00 0.00 O ATOM 358 OE2 GLU A 26 -11.399 -8.416 15.052 1.00 0.00 O ATOM 0 H GLU A 26 -9.726 -7.836 13.508 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.558 -5.156 13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.443 -6.769 15.105 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.802 -5.104 15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.172 -6.195 17.009 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.289 -5.965 15.678 1.00 0.00 H new ATOM 365 N GLU A 27 -7.429 -5.612 12.658 1.00 0.00 N ATOM 366 CA GLU A 27 -6.309 -4.968 11.983 1.00 0.00 C ATOM 367 C GLU A 27 -6.721 -4.468 10.601 1.00 0.00 C ATOM 368 O GLU A 27 -6.487 -3.311 10.251 1.00 0.00 O ATOM 369 CB GLU A 27 -5.133 -5.939 11.856 1.00 0.00 C ATOM 370 CG GLU A 27 -4.417 -6.204 13.170 1.00 0.00 C ATOM 371 CD GLU A 27 -3.492 -7.403 13.099 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.608 -7.418 12.218 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.653 -8.327 13.924 1.00 0.00 O ATOM 0 H GLU A 27 -7.274 -6.593 12.891 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.001 -4.112 12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.495 -6.884 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.418 -5.539 11.137 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.841 -5.322 13.450 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.155 -6.365 13.956 1.00 0.00 H new ATOM 380 N LYS A 28 -7.336 -5.349 9.819 1.00 0.00 N ATOM 381 CA LYS A 28 -7.783 -5.000 8.476 1.00 0.00 C ATOM 382 C LYS A 28 -8.697 -3.779 8.507 1.00 0.00 C ATOM 383 O LYS A 28 -8.510 -2.867 7.703 1.00 0.00 O ATOM 384 CB LYS A 28 -8.515 -6.182 7.836 1.00 0.00 C ATOM 385 CG LYS A 28 -8.570 -6.115 6.320 1.00 0.00 C ATOM 386 CD LYS A 28 -8.648 -7.501 5.703 1.00 0.00 C ATOM 387 CE LYS A 28 -10.087 -7.977 5.581 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.173 -9.460 5.468 1.00 0.00 N ATOM 0 H LYS A 28 -7.536 -6.311 10.093 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.904 -4.759 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.022 -7.108 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.532 -6.223 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.436 -5.529 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.686 -5.598 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.183 -7.488 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.082 -8.204 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.654 -7.646 6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.548 -7.519 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.170 -9.745 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.653 -9.775 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.756 -9.897 6.314 1.00 0.00 H new ATOM 402 N HIS A 29 -9.654 -3.787 9.423 1.00 0.00 N ATOM 403 CA HIS A 29 -10.582 -2.676 9.545 1.00 0.00 C ATOM 404 C HIS A 29 -9.809 -1.356 9.522 1.00 0.00 C ATOM 405 O HIS A 29 -10.086 -0.451 8.735 1.00 0.00 O ATOM 406 CB HIS A 29 -11.453 -2.831 10.794 1.00 0.00 C ATOM 407 CG HIS A 29 -12.581 -1.830 10.884 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.346 -1.663 12.025 1.00 0.00 N ATOM 409 CD2 HIS A 29 -13.063 -0.946 9.964 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.246 -0.720 11.791 1.00 0.00 C ATOM 411 NE2 HIS A 29 -14.069 -0.277 10.513 1.00 0.00 N ATOM 0 H HIS A 29 -9.807 -4.545 10.088 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.264 -2.672 8.695 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.872 -3.837 10.810 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.823 -2.734 11.678 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.689 -0.813 8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.989 -0.364 12.489 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.619 0.449 10.055 1.00 0.00 H new ATOM 419 N SER A 30 -8.824 -1.266 10.411 1.00 0.00 N ATOM 420 CA SER A 30 -7.996 -0.071 10.516 1.00 0.00 C ATOM 421 C SER A 30 -7.315 0.238 9.187 1.00 0.00 C ATOM 422 O SER A 30 -7.161 1.399 8.810 1.00 0.00 O ATOM 423 CB SER A 30 -6.944 -0.248 11.613 1.00 0.00 C ATOM 424 OG SER A 30 -7.520 -0.104 12.900 1.00 0.00 O ATOM 0 H SER A 30 -8.581 -2.007 11.069 1.00 0.00 H new ATOM 0 HA SER A 30 -8.643 0.767 10.775 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.484 -1.232 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.150 0.487 11.482 1.00 0.00 H new ATOM 0 HG SER A 30 -6.828 -0.223 13.583 1.00 0.00 H new ATOM 430 N MET A 31 -6.908 -0.812 8.481 1.00 0.00 N ATOM 431 CA MET A 31 -6.243 -0.654 7.192 1.00 0.00 C ATOM 432 C MET A 31 -7.197 -0.069 6.156 1.00 0.00 C ATOM 433 O MET A 31 -6.910 0.961 5.548 1.00 0.00 O ATOM 434 CB MET A 31 -5.705 -2.001 6.704 1.00 0.00 C ATOM 435 CG MET A 31 -4.582 -2.555 7.565 1.00 0.00 C ATOM 436 SD MET A 31 -4.098 -4.224 7.085 1.00 0.00 S ATOM 437 CE MET A 31 -2.539 -3.902 6.265 1.00 0.00 C ATOM 0 H MET A 31 -7.027 -1.780 8.779 1.00 0.00 H new ATOM 0 HA MET A 31 -5.410 0.037 7.323 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.522 -2.722 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.346 -1.890 5.681 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.717 -1.896 7.495 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.897 -2.558 8.608 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.350 -4.680 5.525 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.582 -2.932 5.769 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.735 -3.898 7.001 1.00 0.00 H new ATOM 447 N GLU A 32 -8.332 -0.733 5.961 1.00 0.00 N ATOM 448 CA GLU A 32 -9.327 -0.278 4.998 1.00 0.00 C ATOM 449 C GLU A 32 -9.530 1.232 5.097 1.00 0.00 C ATOM 450 O GLU A 32 -9.263 1.968 4.148 1.00 0.00 O ATOM 451 CB GLU A 32 -10.658 -0.998 5.225 1.00 0.00 C ATOM 452 CG GLU A 32 -10.679 -2.421 4.692 1.00 0.00 C ATOM 453 CD GLU A 32 -11.801 -3.250 5.285 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.851 -2.669 5.630 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.628 -4.481 5.405 1.00 0.00 O ATOM 0 H GLU A 32 -8.585 -1.588 6.457 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.961 -0.514 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.874 -1.016 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.456 -0.428 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.784 -2.397 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.724 -2.900 4.909 1.00 0.00 H new ATOM 462 N GLU A 33 -10.005 1.684 6.254 1.00 0.00 N ATOM 463 CA GLU A 33 -10.245 3.105 6.477 1.00 0.00 C ATOM 464 C GLU A 33 -8.996 3.924 6.162 1.00 0.00 C ATOM 465 O GLU A 33 -9.082 5.012 5.594 1.00 0.00 O ATOM 466 CB GLU A 33 -10.678 3.351 7.923 1.00 0.00 C ATOM 467 CG GLU A 33 -12.097 2.893 8.220 1.00 0.00 C ATOM 468 CD GLU A 33 -13.124 3.982 7.975 1.00 0.00 C ATOM 469 OE1 GLU A 33 -12.934 5.103 8.491 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.118 3.712 7.268 1.00 0.00 O ATOM 0 H GLU A 33 -10.231 1.088 7.050 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.045 3.422 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.991 2.834 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.595 4.416 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.334 2.029 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.160 2.566 9.258 1.00 0.00 H new ATOM 477 N MET A 34 -7.837 3.392 6.537 1.00 0.00 N ATOM 478 CA MET A 34 -6.570 4.072 6.294 1.00 0.00 C ATOM 479 C MET A 34 -6.391 4.374 4.810 1.00 0.00 C ATOM 480 O MET A 34 -6.163 5.521 4.422 1.00 0.00 O ATOM 481 CB MET A 34 -5.404 3.219 6.798 1.00 0.00 C ATOM 482 CG MET A 34 -4.193 4.035 7.219 1.00 0.00 C ATOM 483 SD MET A 34 -3.022 3.081 8.204 1.00 0.00 S ATOM 484 CE MET A 34 -3.260 3.816 9.820 1.00 0.00 C ATOM 0 H MET A 34 -7.749 2.493 7.010 1.00 0.00 H new ATOM 0 HA MET A 34 -6.582 5.016 6.839 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.741 2.621 7.645 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.108 2.523 6.013 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.689 4.416 6.330 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.524 4.900 7.793 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.530 3.406 10.517 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.130 4.896 9.751 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.266 3.594 10.176 1.00 0.00 H new ATOM 494 N THR A 35 -6.494 3.339 3.983 1.00 0.00 N ATOM 495 CA THR A 35 -6.342 3.493 2.542 1.00 0.00 C ATOM 496 C THR A 35 -7.220 4.622 2.014 1.00 0.00 C ATOM 497 O THR A 35 -6.919 5.224 0.984 1.00 0.00 O ATOM 498 CB THR A 35 -6.696 2.192 1.797 1.00 0.00 C ATOM 499 OG1 THR A 35 -5.921 1.105 2.314 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.442 2.338 0.304 1.00 0.00 C ATOM 0 H THR A 35 -6.682 2.384 4.287 1.00 0.00 H new ATOM 0 HA THR A 35 -5.295 3.734 2.359 1.00 0.00 H new ATOM 0 HB THR A 35 -7.755 1.987 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.153 0.281 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.699 1.407 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.055 3.147 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.389 2.564 0.134 1.00 0.00 H new ATOM 508 N GLU A 36 -8.305 4.905 2.728 1.00 0.00 N ATOM 509 CA GLU A 36 -9.226 5.963 2.330 1.00 0.00 C ATOM 510 C GLU A 36 -8.712 7.329 2.775 1.00 0.00 C ATOM 511 O GLU A 36 -8.315 8.153 1.952 1.00 0.00 O ATOM 512 CB GLU A 36 -10.615 5.711 2.922 1.00 0.00 C ATOM 513 CG GLU A 36 -11.488 4.812 2.063 1.00 0.00 C ATOM 514 CD GLU A 36 -12.940 4.820 2.499 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.192 4.762 3.721 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.824 4.883 1.620 1.00 0.00 O ATOM 0 H GLU A 36 -8.568 4.417 3.584 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.296 5.957 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.504 5.261 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.120 6.667 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.423 5.134 1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.105 3.792 2.105 1.00 0.00 H new ATOM 523 N MET A 37 -8.722 7.560 4.084 1.00 0.00 N ATOM 524 CA MET A 37 -8.256 8.825 4.640 1.00 0.00 C ATOM 525 C MET A 37 -7.065 9.359 3.852 1.00 0.00 C ATOM 526 O MET A 37 -6.946 10.564 3.631 1.00 0.00 O ATOM 527 CB MET A 37 -7.873 8.650 6.111 1.00 0.00 C ATOM 528 CG MET A 37 -6.471 8.098 6.312 1.00 0.00 C ATOM 529 SD MET A 37 -5.924 8.198 8.027 1.00 0.00 S ATOM 530 CE MET A 37 -7.140 7.156 8.831 1.00 0.00 C ATOM 0 H MET A 37 -9.048 6.888 4.779 1.00 0.00 H new ATOM 0 HA MET A 37 -9.070 9.547 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.951 9.613 6.615 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.590 7.981 6.588 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.444 7.058 5.986 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.774 8.648 5.680 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.638 6.476 9.520 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.844 7.778 9.384 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.679 6.579 8.079 1.00 0.00 H new ATOM 540 N GLN A 38 -6.186 8.455 3.431 1.00 0.00 N ATOM 541 CA GLN A 38 -5.003 8.837 2.669 1.00 0.00 C ATOM 542 C GLN A 38 -5.388 9.322 1.275 1.00 0.00 C ATOM 543 O GLN A 38 -4.929 10.370 0.823 1.00 0.00 O ATOM 544 CB GLN A 38 -4.036 7.657 2.562 1.00 0.00 C ATOM 545 CG GLN A 38 -3.485 7.199 3.903 1.00 0.00 C ATOM 546 CD GLN A 38 -3.134 8.357 4.816 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.656 9.397 4.363 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.371 8.183 6.111 1.00 0.00 N ATOM 0 H GLN A 38 -6.271 7.453 3.605 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.510 9.654 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.547 6.821 2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.206 7.936 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.221 6.563 4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.597 6.590 3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.768 7.304 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.156 8.928 6.773 1.00 0.00 H new ATOM 557 N GLY A 39 -6.233 8.551 0.597 1.00 0.00 N ATOM 558 CA GLY A 39 -6.664 8.918 -0.739 1.00 0.00 C ATOM 559 C GLY A 39 -6.710 7.731 -1.680 1.00 0.00 C ATOM 560 O GLY A 39 -6.335 7.840 -2.847 1.00 0.00 O ATOM 0 H GLY A 39 -6.627 7.679 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.653 9.374 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.987 9.671 -1.142 1.00 0.00 H new ATOM 564 N GLY A 40 -7.170 6.591 -1.172 1.00 0.00 N ATOM 565 CA GLY A 40 -7.253 5.395 -1.989 1.00 0.00 C ATOM 566 C GLY A 40 -8.461 4.545 -1.651 1.00 0.00 C ATOM 567 O GLY A 40 -9.222 4.870 -0.739 1.00 0.00 O ATOM 0 H GLY A 40 -7.486 6.475 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.295 5.679 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.347 4.803 -1.855 1.00 0.00 H new ATOM 571 N SER A 41 -8.640 3.453 -2.388 1.00 0.00 N ATOM 572 CA SER A 41 -9.769 2.557 -2.165 1.00 0.00 C ATOM 573 C SER A 41 -9.288 1.175 -1.734 1.00 0.00 C ATOM 574 O SER A 41 -8.141 0.800 -1.979 1.00 0.00 O ATOM 575 CB SER A 41 -10.614 2.442 -3.435 1.00 0.00 C ATOM 576 OG SER A 41 -11.150 3.699 -3.807 1.00 0.00 O ATOM 0 H SER A 41 -8.018 3.168 -3.144 1.00 0.00 H new ATOM 0 HA SER A 41 -10.381 2.975 -1.366 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.003 2.049 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.424 1.731 -3.273 1.00 0.00 H new ATOM 0 HG SER A 41 -11.684 3.598 -4.622 1.00 0.00 H new ATOM 582 N TYR A 42 -10.172 0.423 -1.089 1.00 0.00 N ATOM 583 CA TYR A 42 -9.839 -0.917 -0.620 1.00 0.00 C ATOM 584 C TYR A 42 -10.910 -1.922 -1.034 1.00 0.00 C ATOM 585 O TYR A 42 -12.105 -1.683 -0.854 1.00 0.00 O ATOM 586 CB TYR A 42 -9.679 -0.923 0.901 1.00 0.00 C ATOM 587 CG TYR A 42 -10.887 -0.391 1.639 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.036 -1.159 1.774 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.878 0.880 2.201 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.143 -0.676 2.447 1.00 0.00 C ATOM 591 CE2 TYR A 42 -11.979 1.370 2.876 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.109 0.588 2.996 1.00 0.00 C ATOM 593 OH TYR A 42 -14.208 1.072 3.668 1.00 0.00 O ATOM 0 H TYR A 42 -11.125 0.718 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.895 -1.210 -1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.481 -1.942 1.233 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.808 -0.325 1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.065 -2.150 1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.995 1.495 2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.029 -1.286 2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.955 2.360 3.307 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.020 1.977 3.994 1.00 0.00 H new ATOM 603 N LEU A 43 -10.473 -3.047 -1.589 1.00 0.00 N ATOM 604 CA LEU A 43 -11.393 -4.090 -2.029 1.00 0.00 C ATOM 605 C LEU A 43 -11.034 -5.433 -1.401 1.00 0.00 C ATOM 606 O LEU A 43 -9.897 -5.670 -0.991 1.00 0.00 O ATOM 607 CB LEU A 43 -11.373 -4.206 -3.554 1.00 0.00 C ATOM 608 CG LEU A 43 -12.273 -3.230 -4.313 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.854 -3.143 -5.772 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.731 -3.649 -4.198 1.00 0.00 C ATOM 0 H LEU A 43 -9.488 -3.260 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.397 -3.815 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.348 -4.064 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.662 -5.221 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.164 -2.242 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.505 -2.444 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.823 -2.795 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.933 -4.128 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.357 -2.943 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.857 -4.647 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.025 -3.658 -3.149 1.00 0.00 H new ATOM 622 N PRO A 44 -12.024 -6.335 -1.324 1.00 0.00 N ATOM 623 CA PRO A 44 -11.836 -7.670 -0.750 1.00 0.00 C ATOM 624 C PRO A 44 -10.961 -8.560 -1.627 1.00 0.00 C ATOM 625 O PRO A 44 -10.993 -8.464 -2.854 1.00 0.00 O ATOM 626 CB PRO A 44 -13.259 -8.228 -0.675 1.00 0.00 C ATOM 627 CG PRO A 44 -14.010 -7.495 -1.732 1.00 0.00 C ATOM 628 CD PRO A 44 -13.403 -6.120 -1.793 1.00 0.00 C ATOM 0 HA PRO A 44 -11.327 -7.631 0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.272 -9.303 -0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.698 -8.063 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.926 -8.002 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.072 -7.443 -1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.425 -5.716 -2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.939 -5.416 -1.157 1.00 0.00 H new ATOM 636 N VAL A 45 -10.180 -9.426 -0.990 1.00 0.00 N ATOM 637 CA VAL A 45 -9.297 -10.335 -1.712 1.00 0.00 C ATOM 638 C VAL A 45 -10.062 -11.115 -2.774 1.00 0.00 C ATOM 639 O VAL A 45 -11.196 -11.539 -2.553 1.00 0.00 O ATOM 640 CB VAL A 45 -8.610 -11.328 -0.756 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.800 -12.350 -1.539 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.729 -10.587 0.239 1.00 0.00 C ATOM 0 H VAL A 45 -10.140 -9.518 0.025 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.536 -9.721 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.380 -11.860 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.322 -13.043 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.460 -12.903 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.037 -11.838 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.251 -11.304 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.964 -10.027 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.339 -9.898 0.823 1.00 0.00 H new ATOM 652 N GLY A 46 -9.434 -11.303 -3.931 1.00 0.00 N ATOM 653 CA GLY A 46 -10.070 -12.033 -5.012 1.00 0.00 C ATOM 654 C GLY A 46 -10.485 -11.130 -6.156 1.00 0.00 C ATOM 655 O GLY A 46 -10.346 -11.493 -7.324 1.00 0.00 O ATOM 0 H GLY A 46 -8.495 -10.962 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.385 -12.794 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.947 -12.554 -4.628 1.00 0.00 H new ATOM 659 N ASP A 47 -10.997 -9.950 -5.822 1.00 0.00 N ATOM 660 CA ASP A 47 -11.434 -8.993 -6.830 1.00 0.00 C ATOM 661 C ASP A 47 -10.267 -8.565 -7.716 1.00 0.00 C ATOM 662 O ASP A 47 -9.306 -7.960 -7.243 1.00 0.00 O ATOM 663 CB ASP A 47 -12.060 -7.767 -6.163 1.00 0.00 C ATOM 664 CG ASP A 47 -12.881 -6.937 -7.131 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.467 -6.809 -8.302 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.937 -6.417 -6.716 1.00 0.00 O ATOM 0 H ASP A 47 -11.119 -9.634 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.183 -9.479 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.694 -8.090 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.272 -7.147 -5.736 1.00 0.00 H new ATOM 671 N GLU A 48 -10.360 -8.886 -9.003 1.00 0.00 N ATOM 672 CA GLU A 48 -9.310 -8.537 -9.953 1.00 0.00 C ATOM 673 C GLU A 48 -9.141 -7.023 -10.045 1.00 0.00 C ATOM 674 O GLU A 48 -8.044 -6.524 -10.298 1.00 0.00 O ATOM 675 CB GLU A 48 -9.632 -9.109 -11.335 1.00 0.00 C ATOM 676 CG GLU A 48 -10.895 -8.533 -11.954 1.00 0.00 C ATOM 677 CD GLU A 48 -11.216 -9.147 -13.302 1.00 0.00 C ATOM 678 OE1 GLU A 48 -10.294 -9.261 -14.137 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.389 -9.513 -13.523 1.00 0.00 O ATOM 0 H GLU A 48 -11.150 -9.386 -9.411 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.375 -8.969 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.791 -8.919 -12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.737 -10.191 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.733 -8.694 -11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.780 -7.455 -12.068 1.00 0.00 H new ATOM 686 N ARG A 49 -10.235 -6.297 -9.837 1.00 0.00 N ATOM 687 CA ARG A 49 -10.209 -4.841 -9.898 1.00 0.00 C ATOM 688 C ARG A 49 -9.046 -4.284 -9.082 1.00 0.00 C ATOM 689 O ARG A 49 -8.483 -3.241 -9.418 1.00 0.00 O ATOM 690 CB ARG A 49 -11.529 -4.264 -9.383 1.00 0.00 C ATOM 691 CG ARG A 49 -12.713 -4.547 -10.294 1.00 0.00 C ATOM 692 CD ARG A 49 -13.904 -3.666 -9.949 1.00 0.00 C ATOM 693 NE ARG A 49 -14.696 -4.221 -8.854 1.00 0.00 N ATOM 694 CZ ARG A 49 -15.507 -5.264 -8.990 1.00 0.00 C ATOM 695 NH1 ARG A 49 -15.633 -5.862 -10.167 1.00 0.00 N ATOM 696 NH2 ARG A 49 -16.195 -5.711 -7.947 1.00 0.00 N ATOM 0 H ARG A 49 -11.150 -6.694 -9.625 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.074 -4.548 -10.939 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.735 -4.675 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.423 -3.186 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.424 -4.380 -11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.998 -5.596 -10.208 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.552 -2.672 -9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.535 -3.548 -10.830 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.622 -3.784 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.106 -5.521 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.257 -6.663 -10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.101 -5.254 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.818 -6.512 -8.052 1.00 0.00 H new ATOM 710 N CYS A 50 -8.692 -4.985 -8.011 1.00 0.00 N ATOM 711 CA CYS A 50 -7.597 -4.559 -7.146 1.00 0.00 C ATOM 712 C CYS A 50 -6.299 -4.433 -7.936 1.00 0.00 C ATOM 713 O CYS A 50 -5.955 -5.307 -8.732 1.00 0.00 O ATOM 714 CB CYS A 50 -7.414 -5.550 -5.995 1.00 0.00 C ATOM 715 SG CYS A 50 -8.930 -5.898 -5.073 1.00 0.00 S ATOM 0 H CYS A 50 -9.147 -5.851 -7.721 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.849 -3.581 -6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.021 -6.485 -6.394 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.665 -5.157 -5.307 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.675 -6.747 -4.123 1.00 0.00 H new ATOM 721 N THR A 51 -5.579 -3.337 -7.711 1.00 0.00 N ATOM 722 CA THR A 51 -4.320 -3.095 -8.404 1.00 0.00 C ATOM 723 C THR A 51 -3.137 -3.602 -7.587 1.00 0.00 C ATOM 724 O THR A 51 -2.200 -4.153 -8.163 1.00 0.00 O ATOM 725 CB THR A 51 -4.121 -1.596 -8.698 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.275 -0.835 -7.495 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.118 -1.112 -9.741 1.00 0.00 C ATOM 0 H THR A 51 -5.847 -2.604 -7.054 1.00 0.00 H new ATOM 0 HA THR A 51 -4.367 -3.640 -9.347 1.00 0.00 H new ATOM 0 HB THR A 51 -3.113 -1.456 -9.089 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.399 -0.508 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.958 -0.051 -9.932 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.978 -1.672 -10.665 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.133 -1.266 -9.373 1.00 0.00 H new ATOM 735 N HIS A 52 -3.204 -3.409 -6.278 1.00 0.00 N ATOM 736 CA HIS A 52 -2.134 -3.852 -5.400 1.00 0.00 C ATOM 737 C HIS A 52 -2.682 -4.862 -4.391 1.00 0.00 C ATOM 738 O HIS A 52 -3.884 -4.942 -4.134 1.00 0.00 O ATOM 739 CB HIS A 52 -1.450 -2.657 -4.732 1.00 0.00 C ATOM 740 CG HIS A 52 -0.883 -1.651 -5.704 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.645 -1.050 -6.691 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.378 -1.145 -5.830 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.867 -0.223 -7.375 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.386 -0.284 -6.840 1.00 0.00 N ATOM 0 H HIS A 52 -3.983 -2.952 -5.804 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.365 -4.357 -5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.169 -2.155 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.646 -3.022 -4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.226 -1.402 -5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.172 0.391 -8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.196 0.245 -7.163 1.00 0.00 H new ATOM 752 N LEU A 53 -1.768 -5.638 -3.820 1.00 0.00 N ATOM 753 CA LEU A 53 -2.131 -6.652 -2.836 1.00 0.00 C ATOM 754 C LEU A 53 -1.127 -6.682 -1.689 1.00 0.00 C ATOM 755 O LEU A 53 0.070 -6.877 -1.904 1.00 0.00 O ATOM 756 CB LEU A 53 -2.208 -8.029 -3.498 1.00 0.00 C ATOM 757 CG LEU A 53 -2.409 -9.216 -2.556 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.671 -9.033 -1.727 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.470 -10.517 -3.343 1.00 0.00 C ATOM 0 H LEU A 53 -0.770 -5.585 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.110 -6.395 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.027 -8.019 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.290 -8.190 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.557 -9.264 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.797 -9.888 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.588 -8.122 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.534 -8.958 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.613 -11.351 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.302 -10.478 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.538 -10.655 -3.891 1.00 0.00 H new ATOM 771 N ILE A 54 -1.621 -6.490 -0.471 1.00 0.00 N ATOM 772 CA ILE A 54 -0.767 -6.498 0.710 1.00 0.00 C ATOM 773 C ILE A 54 -1.041 -7.722 1.578 1.00 0.00 C ATOM 774 O ILE A 54 -2.046 -7.782 2.286 1.00 0.00 O ATOM 775 CB ILE A 54 -0.965 -5.228 1.557 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.503 -3.993 0.781 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.211 -5.346 2.874 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.547 -3.450 -0.169 1.00 0.00 C ATOM 0 H ILE A 54 -2.609 -6.327 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 54 0.263 -6.530 0.354 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.027 -5.119 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.226 -3.212 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.395 -4.244 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.361 -4.440 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.584 -6.206 3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.852 -5.477 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.150 -2.575 -0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.807 -4.215 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.438 -3.167 0.392 1.00 0.00 H new ATOM 790 N VAL A 55 -0.138 -8.696 1.519 1.00 0.00 N ATOM 791 CA VAL A 55 -0.280 -9.918 2.301 1.00 0.00 C ATOM 792 C VAL A 55 0.711 -9.947 3.460 1.00 0.00 C ATOM 793 O VAL A 55 1.878 -9.593 3.299 1.00 0.00 O ATOM 794 CB VAL A 55 -0.070 -11.171 1.429 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.241 -11.076 0.665 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.109 -12.428 2.285 1.00 0.00 C ATOM 0 H VAL A 55 0.699 -8.662 0.938 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.296 -9.925 2.695 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.882 -11.228 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.372 -11.970 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.224 -10.196 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.068 -10.994 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.041 -13.303 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.681 -12.382 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.077 -12.500 2.781 1.00 0.00 H new ATOM 806 N GLU A 56 0.236 -10.373 4.626 1.00 0.00 N ATOM 807 CA GLU A 56 1.081 -10.448 5.812 1.00 0.00 C ATOM 808 C GLU A 56 2.029 -11.641 5.731 1.00 0.00 C ATOM 809 O GLU A 56 1.752 -12.705 6.283 1.00 0.00 O ATOM 810 CB GLU A 56 0.221 -10.551 7.073 1.00 0.00 C ATOM 811 CG GLU A 56 1.029 -10.626 8.358 1.00 0.00 C ATOM 812 CD GLU A 56 0.163 -10.536 9.599 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.426 -9.460 9.834 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.073 -11.541 10.334 1.00 0.00 O ATOM 0 H GLU A 56 -0.728 -10.671 4.775 1.00 0.00 H new ATOM 0 HA GLU A 56 1.676 -9.536 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.443 -9.688 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.412 -11.436 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.588 -11.562 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.760 -9.818 8.371 1.00 0.00 H new ATOM 821 N GLU A 57 3.147 -11.455 5.037 1.00 0.00 N ATOM 822 CA GLU A 57 4.135 -12.517 4.882 1.00 0.00 C ATOM 823 C GLU A 57 4.503 -13.119 6.234 1.00 0.00 C ATOM 824 O GLU A 57 4.950 -14.262 6.315 1.00 0.00 O ATOM 825 CB GLU A 57 5.390 -11.979 4.192 1.00 0.00 C ATOM 826 CG GLU A 57 6.223 -11.062 5.072 1.00 0.00 C ATOM 827 CD GLU A 57 7.086 -11.825 6.058 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.658 -12.864 5.667 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.189 -11.382 7.221 1.00 0.00 O ATOM 0 H GLU A 57 3.392 -10.580 4.573 1.00 0.00 H new ATOM 0 HA GLU A 57 3.696 -13.299 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.006 -12.819 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.096 -11.437 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.860 -10.441 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.562 -10.390 5.618 1.00 0.00 H new ATOM 836 N ASN A 58 4.312 -12.340 7.294 1.00 0.00 N ATOM 837 CA ASN A 58 4.625 -12.795 8.644 1.00 0.00 C ATOM 838 C ASN A 58 3.917 -14.111 8.952 1.00 0.00 C ATOM 839 O ASN A 58 4.534 -15.065 9.427 1.00 0.00 O ATOM 840 CB ASN A 58 4.221 -11.734 9.669 1.00 0.00 C ATOM 841 CG ASN A 58 5.285 -10.668 9.847 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.191 -10.810 10.668 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.179 -9.592 9.076 1.00 0.00 N ATOM 0 H ASN A 58 3.942 -11.391 7.244 1.00 0.00 H new ATOM 0 HA ASN A 58 5.701 -12.958 8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.289 -11.264 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.028 -12.214 10.628 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.865 -8.841 9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.411 -9.516 8.409 1.00 0.00 H new ATOM 850 N THR A 59 2.617 -14.155 8.678 1.00 0.00 N ATOM 851 CA THR A 59 1.824 -15.353 8.926 1.00 0.00 C ATOM 852 C THR A 59 1.495 -16.074 7.624 1.00 0.00 C ATOM 853 O THR A 59 1.558 -17.301 7.549 1.00 0.00 O ATOM 854 CB THR A 59 0.511 -15.016 9.658 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.218 -16.217 9.934 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.347 -14.075 8.826 1.00 0.00 C ATOM 0 H THR A 59 2.091 -13.375 8.284 1.00 0.00 H new ATOM 0 HA THR A 59 2.427 -16.006 9.558 1.00 0.00 H new ATOM 0 HB THR A 59 0.761 -14.520 10.596 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.050 -15.994 10.401 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.268 -13.852 9.364 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.200 -13.150 8.643 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.588 -14.548 7.874 1.00 0.00 H new ATOM 864 N VAL A 60 1.145 -15.304 6.598 1.00 0.00 N ATOM 865 CA VAL A 60 0.808 -15.870 5.298 1.00 0.00 C ATOM 866 C VAL A 60 2.028 -16.508 4.643 1.00 0.00 C ATOM 867 O VAL A 60 3.144 -16.000 4.754 1.00 0.00 O ATOM 868 CB VAL A 60 0.233 -14.799 4.351 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.240 -15.432 3.052 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.900 -14.043 5.029 1.00 0.00 C ATOM 0 H VAL A 60 1.088 -14.287 6.643 1.00 0.00 H new ATOM 0 HA VAL A 60 0.051 -16.635 5.473 1.00 0.00 H new ATOM 0 HB VAL A 60 1.024 -14.087 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.643 -14.660 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.599 -15.924 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.016 -16.167 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.295 -13.290 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.693 -14.741 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.525 -13.556 5.929 1.00 0.00 H new ATOM 880 N LYS A 61 1.809 -17.627 3.960 1.00 0.00 N ATOM 881 CA LYS A 61 2.889 -18.336 3.286 1.00 0.00 C ATOM 882 C LYS A 61 2.562 -18.550 1.811 1.00 0.00 C ATOM 883 O LYS A 61 3.416 -18.368 0.943 1.00 0.00 O ATOM 884 CB LYS A 61 3.143 -19.684 3.963 1.00 0.00 C ATOM 885 CG LYS A 61 1.882 -20.501 4.186 1.00 0.00 C ATOM 886 CD LYS A 61 1.986 -21.358 5.436 1.00 0.00 C ATOM 887 CE LYS A 61 2.556 -22.733 5.124 1.00 0.00 C ATOM 888 NZ LYS A 61 1.526 -23.643 4.552 1.00 0.00 N ATOM 0 H LYS A 61 0.892 -18.062 3.859 1.00 0.00 H new ATOM 0 HA LYS A 61 3.789 -17.726 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.837 -20.262 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.629 -19.513 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.025 -19.833 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.703 -21.139 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.619 -20.858 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.000 -21.466 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.383 -22.632 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.964 -23.172 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.890 -24.617 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.665 -23.601 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.303 -23.347 3.580 1.00 0.00 H new ATOM 902 N ASP A 62 1.321 -18.936 1.535 1.00 0.00 N ATOM 903 CA ASP A 62 0.881 -19.172 0.165 1.00 0.00 C ATOM 904 C ASP A 62 -0.519 -18.609 -0.060 1.00 0.00 C ATOM 905 O ASP A 62 -1.447 -18.902 0.696 1.00 0.00 O ATOM 906 CB ASP A 62 0.898 -20.669 -0.148 1.00 0.00 C ATOM 907 CG ASP A 62 0.399 -21.509 1.011 1.00 0.00 C ATOM 908 OD1 ASP A 62 -0.682 -21.193 1.550 1.00 0.00 O ATOM 909 OD2 ASP A 62 1.090 -22.482 1.380 1.00 0.00 O ATOM 0 H ASP A 62 0.602 -19.092 2.242 1.00 0.00 H new ATOM 0 HA ASP A 62 1.571 -18.661 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.279 -20.861 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.914 -20.973 -0.402 1.00 0.00 H new ATOM 914 N LEU A 63 -0.665 -17.800 -1.103 1.00 0.00 N ATOM 915 CA LEU A 63 -1.951 -17.194 -1.428 1.00 0.00 C ATOM 916 C LEU A 63 -3.010 -18.264 -1.675 1.00 0.00 C ATOM 917 O LEU A 63 -2.735 -19.327 -2.232 1.00 0.00 O ATOM 918 CB LEU A 63 -1.819 -16.298 -2.661 1.00 0.00 C ATOM 919 CG LEU A 63 -0.867 -15.109 -2.527 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.502 -14.559 -3.897 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.489 -14.022 -1.663 1.00 0.00 C ATOM 0 H LEU A 63 0.092 -17.548 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.264 -16.588 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.486 -16.912 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.808 -15.919 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 63 0.046 -15.453 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.176 -13.714 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.014 -15.338 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.406 -14.231 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.797 -13.184 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.418 -13.681 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.698 -14.421 -0.670 1.00 0.00 H new ATOM 933 N PRO A 64 -4.251 -17.978 -1.254 1.00 0.00 N ATOM 934 CA PRO A 64 -5.376 -18.902 -1.421 1.00 0.00 C ATOM 935 C PRO A 64 -5.799 -19.043 -2.879 1.00 0.00 C ATOM 936 O PRO A 64 -6.439 -20.024 -3.258 1.00 0.00 O ATOM 937 CB PRO A 64 -6.494 -18.251 -0.601 1.00 0.00 C ATOM 938 CG PRO A 64 -6.152 -16.801 -0.579 1.00 0.00 C ATOM 939 CD PRO A 64 -4.650 -16.729 -0.582 1.00 0.00 C ATOM 0 HA PRO A 64 -5.125 -19.913 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.470 -18.421 -1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.537 -18.663 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.569 -16.289 -1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.564 -16.316 0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.291 -15.851 -1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.248 -16.671 0.430 1.00 0.00 H new ATOM 947 N PHE A 65 -5.436 -18.058 -3.694 1.00 0.00 N ATOM 948 CA PHE A 65 -5.778 -18.073 -5.111 1.00 0.00 C ATOM 949 C PHE A 65 -4.555 -17.762 -5.969 1.00 0.00 C ATOM 950 O PHE A 65 -3.489 -17.433 -5.451 1.00 0.00 O ATOM 951 CB PHE A 65 -6.889 -17.061 -5.400 1.00 0.00 C ATOM 952 CG PHE A 65 -6.414 -15.635 -5.405 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.949 -15.043 -4.243 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.435 -14.889 -6.572 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.511 -13.731 -4.244 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.999 -13.577 -6.579 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.537 -12.998 -5.413 1.00 0.00 C ATOM 0 H PHE A 65 -4.905 -17.239 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.132 -19.073 -5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.336 -17.290 -6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.674 -17.172 -4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.928 -15.612 -3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.796 -15.337 -7.486 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.149 -13.281 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.020 -13.005 -7.495 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.197 -11.973 -5.416 1.00 0.00 H new ATOM 967 N GLU A 66 -4.719 -17.869 -7.284 1.00 0.00 N ATOM 968 CA GLU A 66 -3.628 -17.601 -8.213 1.00 0.00 C ATOM 969 C GLU A 66 -3.862 -16.292 -8.963 1.00 0.00 C ATOM 970 O GLU A 66 -4.462 -16.262 -10.038 1.00 0.00 O ATOM 971 CB GLU A 66 -3.482 -18.753 -9.210 1.00 0.00 C ATOM 972 CG GLU A 66 -2.666 -19.919 -8.677 1.00 0.00 C ATOM 973 CD GLU A 66 -3.181 -20.430 -7.345 1.00 0.00 C ATOM 974 OE1 GLU A 66 -4.278 -21.025 -7.321 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.484 -20.235 -6.327 1.00 0.00 O ATOM 0 H GLU A 66 -5.596 -18.139 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.708 -17.511 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.474 -19.111 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.013 -18.378 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.681 -20.731 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.627 -19.610 -8.566 1.00 0.00 H new ATOM 982 N PRO A 67 -3.377 -15.184 -8.383 1.00 0.00 N ATOM 983 CA PRO A 67 -3.521 -13.852 -8.978 1.00 0.00 C ATOM 984 C PRO A 67 -2.672 -13.684 -10.234 1.00 0.00 C ATOM 985 O PRO A 67 -1.717 -14.428 -10.453 1.00 0.00 O ATOM 986 CB PRO A 67 -3.030 -12.915 -7.872 1.00 0.00 C ATOM 987 CG PRO A 67 -2.104 -13.747 -7.054 1.00 0.00 C ATOM 988 CD PRO A 67 -2.652 -15.146 -7.102 1.00 0.00 C ATOM 0 HA PRO A 67 -4.544 -13.657 -9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.519 -12.046 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.860 -12.541 -7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.091 -13.711 -7.454 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.055 -13.382 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.857 -15.891 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.314 -15.348 -6.260 1.00 0.00 H new ATOM 996 N SER A 68 -3.028 -12.701 -11.055 1.00 0.00 N ATOM 997 CA SER A 68 -2.300 -12.437 -12.291 1.00 0.00 C ATOM 998 C SER A 68 -1.170 -11.440 -12.054 1.00 0.00 C ATOM 999 O SER A 68 -1.201 -10.663 -11.100 1.00 0.00 O ATOM 1000 CB SER A 68 -3.251 -11.901 -13.363 1.00 0.00 C ATOM 1001 OG SER A 68 -4.085 -12.931 -13.866 1.00 0.00 O ATOM 0 H SER A 68 -3.815 -12.075 -10.887 1.00 0.00 H new ATOM 0 HA SER A 68 -1.867 -13.376 -12.636 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.865 -11.104 -12.943 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.675 -11.464 -14.179 1.00 0.00 H new ATOM 0 HG SER A 68 -4.684 -12.563 -14.548 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.171 -11.469 -12.930 1.00 0.00 N ATOM 1008 CA LYS A 69 0.971 -10.569 -12.820 1.00 0.00 C ATOM 1009 C LYS A 69 0.511 -9.134 -12.586 1.00 0.00 C ATOM 1010 O LYS A 69 0.962 -8.470 -11.652 1.00 0.00 O ATOM 1011 CB LYS A 69 1.828 -10.641 -14.085 1.00 0.00 C ATOM 1012 CG LYS A 69 3.136 -9.876 -13.979 1.00 0.00 C ATOM 1013 CD LYS A 69 4.155 -10.630 -13.141 1.00 0.00 C ATOM 1014 CE LYS A 69 5.577 -10.328 -13.589 1.00 0.00 C ATOM 1015 NZ LYS A 69 6.560 -10.527 -12.488 1.00 0.00 N ATOM 0 H LYS A 69 -0.129 -12.107 -13.725 1.00 0.00 H new ATOM 0 HA LYS A 69 1.569 -10.885 -11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.045 -11.686 -14.308 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.255 -10.249 -14.925 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.540 -9.703 -14.977 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.952 -8.897 -13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.037 -10.359 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.968 -11.701 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.837 -10.972 -14.429 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.635 -9.300 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.517 -10.311 -12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.327 -9.894 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.524 -11.515 -12.164 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.391 -8.660 -13.439 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.915 -7.304 -13.324 1.00 0.00 C ATOM 1031 C LYS A 70 -1.020 -6.883 -11.861 1.00 0.00 C ATOM 1032 O LYS A 70 -0.641 -5.769 -11.496 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.288 -7.207 -13.993 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.355 -8.050 -13.317 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.671 -7.998 -14.075 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.551 -6.858 -13.587 1.00 0.00 C ATOM 1037 NZ LYS A 70 -5.174 -5.560 -14.213 1.00 0.00 N ATOM 0 H LYS A 70 -0.775 -9.195 -14.218 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.223 -6.630 -13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.608 -6.165 -13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.198 -7.516 -15.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.014 -9.083 -13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.507 -7.696 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.474 -7.876 -15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.199 -8.944 -13.954 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.594 -7.081 -13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.471 -6.775 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.016 -4.954 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.458 -5.086 -13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.785 -5.732 -15.162 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.535 -7.780 -11.028 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.689 -7.502 -9.604 1.00 0.00 C ATOM 1053 C LEU A 71 -0.339 -7.538 -8.894 1.00 0.00 C ATOM 1054 O LEU A 71 0.334 -8.569 -8.870 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.641 -8.515 -8.966 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.904 -8.340 -7.470 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.909 -7.224 -7.232 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.396 -9.643 -6.859 1.00 0.00 C ATOM 0 H LEU A 71 -1.853 -8.706 -11.314 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.109 -6.502 -9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.595 -8.467 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.238 -9.515 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.967 -8.066 -6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.084 -7.114 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.517 -6.290 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.848 -7.467 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.578 -9.500 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.322 -9.947 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.641 -10.417 -6.997 1.00 0.00 H new ATOM 1070 N PHE A 72 0.049 -6.407 -8.315 1.00 0.00 N ATOM 1071 CA PHE A 72 1.318 -6.309 -7.603 1.00 0.00 C ATOM 1072 C PHE A 72 1.149 -6.693 -6.136 1.00 0.00 C ATOM 1073 O PHE A 72 0.385 -6.066 -5.402 1.00 0.00 O ATOM 1074 CB PHE A 72 1.878 -4.889 -7.708 1.00 0.00 C ATOM 1075 CG PHE A 72 2.241 -4.491 -9.110 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.487 -4.798 -9.632 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.335 -3.810 -9.907 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.824 -4.431 -10.921 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.665 -3.441 -11.198 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.911 -3.753 -11.706 1.00 0.00 C ATOM 0 H PHE A 72 -0.497 -5.545 -8.325 1.00 0.00 H new ATOM 0 HA PHE A 72 2.019 -7.004 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.141 -4.187 -7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.762 -4.808 -7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.204 -5.331 -9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.359 -3.564 -9.515 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.800 -4.674 -11.314 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.950 -2.910 -11.808 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.171 -3.468 -12.715 1.00 0.00 H new ATOM 1090 N VAL A 73 1.867 -7.730 -5.715 1.00 0.00 N ATOM 1091 CA VAL A 73 1.798 -8.198 -4.336 1.00 0.00 C ATOM 1092 C VAL A 73 3.018 -7.748 -3.541 1.00 0.00 C ATOM 1093 O VAL A 73 4.156 -8.049 -3.903 1.00 0.00 O ATOM 1094 CB VAL A 73 1.695 -9.734 -4.270 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.097 -10.172 -2.941 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.871 -10.262 -5.434 1.00 0.00 C ATOM 0 H VAL A 73 2.503 -8.262 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 73 0.901 -7.761 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 73 2.699 -10.152 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.032 -11.260 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.731 -9.825 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.100 -9.746 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.808 -11.348 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.132 -9.838 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.345 -9.979 -6.374 1.00 0.00 H new ATOM 1106 N VAL A 74 2.775 -7.023 -2.453 1.00 0.00 N ATOM 1107 CA VAL A 74 3.853 -6.532 -1.604 1.00 0.00 C ATOM 1108 C VAL A 74 3.593 -6.861 -0.139 1.00 0.00 C ATOM 1109 O VAL A 74 2.546 -7.407 0.210 1.00 0.00 O ATOM 1110 CB VAL A 74 4.035 -5.009 -1.753 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.562 -4.667 -3.138 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.724 -4.288 -1.479 1.00 0.00 C ATOM 0 H VAL A 74 1.840 -6.763 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 74 4.765 -7.033 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 74 4.768 -4.674 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.684 -3.587 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.525 -5.155 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.855 -5.014 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.870 -3.213 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.968 -4.626 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.393 -4.508 -0.464 1.00 0.00 H new ATOM 1122 N LYS A 75 4.552 -6.525 0.717 1.00 0.00 N ATOM 1123 CA LYS A 75 4.428 -6.783 2.147 1.00 0.00 C ATOM 1124 C LYS A 75 3.600 -5.696 2.825 1.00 0.00 C ATOM 1125 O LYS A 75 3.096 -4.786 2.167 1.00 0.00 O ATOM 1126 CB LYS A 75 5.812 -6.863 2.794 1.00 0.00 C ATOM 1127 CG LYS A 75 6.707 -7.929 2.185 1.00 0.00 C ATOM 1128 CD LYS A 75 8.178 -7.603 2.385 1.00 0.00 C ATOM 1129 CE LYS A 75 9.032 -8.173 1.263 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.466 -8.274 1.655 1.00 0.00 N ATOM 0 H LYS A 75 5.425 -6.073 0.445 1.00 0.00 H new ATOM 0 HA LYS A 75 3.918 -7.738 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.303 -5.894 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.695 -7.064 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.483 -8.895 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.495 -8.018 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.309 -6.522 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.514 -8.006 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.660 -9.160 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.940 -7.541 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.015 -8.667 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.828 -7.329 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.557 -8.897 2.483 1.00 0.00 H new ATOM 1144 N GLN A 76 3.467 -5.797 4.144 1.00 0.00 N ATOM 1145 CA GLN A 76 2.701 -4.821 4.910 1.00 0.00 C ATOM 1146 C GLN A 76 3.457 -3.501 5.022 1.00 0.00 C ATOM 1147 O GLN A 76 2.872 -2.427 4.892 1.00 0.00 O ATOM 1148 CB GLN A 76 2.393 -5.366 6.306 1.00 0.00 C ATOM 1149 CG GLN A 76 3.615 -5.463 7.204 1.00 0.00 C ATOM 1150 CD GLN A 76 3.437 -6.470 8.325 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.594 -6.141 9.501 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.108 -7.705 7.964 1.00 0.00 N ATOM 0 H GLN A 76 3.879 -6.544 4.703 1.00 0.00 H new ATOM 0 HA GLN A 76 1.764 -4.638 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.652 -4.724 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.943 -6.354 6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.481 -5.742 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.826 -4.483 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.988 -7.933 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.975 -8.425 8.674 1.00 0.00 H new ATOM 1161 N GLU A 77 4.761 -3.591 5.264 1.00 0.00 N ATOM 1162 CA GLU A 77 5.597 -2.403 5.395 1.00 0.00 C ATOM 1163 C GLU A 77 5.286 -1.396 4.292 1.00 0.00 C ATOM 1164 O GLU A 77 5.273 -0.187 4.526 1.00 0.00 O ATOM 1165 CB GLU A 77 7.078 -2.787 5.348 1.00 0.00 C ATOM 1166 CG GLU A 77 7.999 -1.730 5.935 1.00 0.00 C ATOM 1167 CD GLU A 77 9.373 -2.276 6.271 1.00 0.00 C ATOM 1168 OE1 GLU A 77 9.472 -3.097 7.207 1.00 0.00 O ATOM 1169 OE2 GLU A 77 10.349 -1.882 5.599 1.00 0.00 O ATOM 0 H GLU A 77 5.261 -4.473 5.373 1.00 0.00 H new ATOM 0 HA GLU A 77 5.380 -1.940 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.220 -3.722 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.364 -2.972 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.102 -0.909 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.545 -1.318 6.836 1.00 0.00 H new ATOM 1176 N TRP A 78 5.037 -1.902 3.090 1.00 0.00 N ATOM 1177 CA TRP A 78 4.726 -1.047 1.950 1.00 0.00 C ATOM 1178 C TRP A 78 3.521 -0.161 2.246 1.00 0.00 C ATOM 1179 O TRP A 78 3.588 1.061 2.111 1.00 0.00 O ATOM 1180 CB TRP A 78 4.458 -1.896 0.707 1.00 0.00 C ATOM 1181 CG TRP A 78 4.231 -1.083 -0.531 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.151 -0.786 -1.497 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.007 -0.460 -0.935 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.572 -0.017 -2.477 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.257 0.197 -2.156 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.724 -0.394 -0.386 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.271 0.910 -2.833 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.747 0.314 -1.059 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.024 0.957 -2.273 1.00 0.00 C ATOM 0 H TRP A 78 5.044 -2.900 2.879 1.00 0.00 H new ATOM 0 HA TRP A 78 5.587 -0.405 1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.303 -2.565 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.585 -2.523 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.182 -1.108 -1.491 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.044 0.337 -3.309 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.500 -0.888 0.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.483 1.408 -3.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.248 0.373 -0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.238 1.500 -2.776 1.00 0.00 H new ATOM 1200 N PHE A 79 2.419 -0.785 2.650 1.00 0.00 N ATOM 1201 CA PHE A 79 1.198 -0.053 2.964 1.00 0.00 C ATOM 1202 C PHE A 79 1.432 0.930 4.107 1.00 0.00 C ATOM 1203 O PHE A 79 0.895 2.038 4.107 1.00 0.00 O ATOM 1204 CB PHE A 79 0.076 -1.025 3.334 1.00 0.00 C ATOM 1205 CG PHE A 79 -0.978 -0.417 4.214 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -0.786 -0.321 5.583 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -2.162 0.058 3.673 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -1.754 0.238 6.396 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -3.133 0.619 4.481 1.00 0.00 C ATOM 1210 CZ PHE A 79 -2.929 0.708 5.844 1.00 0.00 C ATOM 0 H PHE A 79 2.347 -1.796 2.767 1.00 0.00 H new ATOM 0 HA PHE A 79 0.904 0.510 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.392 -1.392 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.507 -1.889 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.131 -0.687 6.020 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.328 -0.011 2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.591 0.307 7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.051 0.988 4.047 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.687 1.145 6.477 1.00 0.00 H new ATOM 1220 N TRP A 80 2.236 0.516 5.080 1.00 0.00 N ATOM 1221 CA TRP A 80 2.541 1.359 6.230 1.00 0.00 C ATOM 1222 C TRP A 80 3.403 2.548 5.820 1.00 0.00 C ATOM 1223 O TRP A 80 2.954 3.692 5.849 1.00 0.00 O ATOM 1224 CB TRP A 80 3.253 0.545 7.311 1.00 0.00 C ATOM 1225 CG TRP A 80 2.370 -0.472 7.968 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.565 -1.823 8.011 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.151 -0.218 8.675 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.541 -2.424 8.702 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.661 -1.462 9.120 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.426 0.938 8.977 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.520 -1.579 9.849 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.745 0.820 9.700 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.209 -0.430 10.131 1.00 0.00 C ATOM 0 H TRP A 80 2.688 -0.398 5.095 1.00 0.00 H new ATOM 0 HA TRP A 80 1.601 1.737 6.631 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.111 0.039 6.868 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.641 1.224 8.071 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.401 -2.343 7.567 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.451 -3.425 8.876 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.775 1.907 8.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.880 -2.542 10.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.313 1.707 9.937 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.127 -0.488 10.696 1.00 0.00 H new ATOM 1244 N GLY A 81 4.646 2.268 5.438 1.00 0.00 N ATOM 1245 CA GLY A 81 5.551 3.325 5.027 1.00 0.00 C ATOM 1246 C GLY A 81 4.858 4.397 4.209 1.00 0.00 C ATOM 1247 O GLY A 81 4.807 5.559 4.613 1.00 0.00 O ATOM 0 H GLY A 81 5.042 1.328 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.999 3.780 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.365 2.896 4.442 1.00 0.00 H new ATOM 1251 N SER A 82 4.325 4.007 3.056 1.00 0.00 N ATOM 1252 CA SER A 82 3.636 4.944 2.177 1.00 0.00 C ATOM 1253 C SER A 82 2.852 5.973 2.986 1.00 0.00 C ATOM 1254 O SER A 82 2.760 7.140 2.604 1.00 0.00 O ATOM 1255 CB SER A 82 2.693 4.194 1.235 1.00 0.00 C ATOM 1256 OG SER A 82 3.411 3.569 0.185 1.00 0.00 O ATOM 0 H SER A 82 4.357 3.048 2.709 1.00 0.00 H new ATOM 0 HA SER A 82 4.387 5.468 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.135 3.444 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.963 4.888 0.818 1.00 0.00 H new ATOM 0 HG SER A 82 3.664 2.662 0.456 1.00 0.00 H new ATOM 1262 N ILE A 83 2.289 5.531 4.105 1.00 0.00 N ATOM 1263 CA ILE A 83 1.514 6.413 4.969 1.00 0.00 C ATOM 1264 C ILE A 83 2.422 7.357 5.749 1.00 0.00 C ATOM 1265 O ILE A 83 2.202 8.567 5.773 1.00 0.00 O ATOM 1266 CB ILE A 83 0.651 5.612 5.963 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.300 4.680 5.210 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.128 6.554 6.868 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.831 3.544 6.057 1.00 0.00 C ATOM 0 H ILE A 83 2.355 4.568 4.435 1.00 0.00 H new ATOM 0 HA ILE A 83 0.861 6.995 4.319 1.00 0.00 H new ATOM 0 HB ILE A 83 1.309 5.005 6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.140 5.262 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.219 4.266 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.733 5.973 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.568 7.180 7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.778 7.185 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.498 2.924 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.001 2.939 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.379 3.950 6.908 1.00 0.00 H new ATOM 1281 N GLN A 84 3.446 6.794 6.384 1.00 0.00 N ATOM 1282 CA GLN A 84 4.389 7.587 7.163 1.00 0.00 C ATOM 1283 C GLN A 84 5.016 8.684 6.309 1.00 0.00 C ATOM 1284 O GLN A 84 5.216 9.806 6.772 1.00 0.00 O ATOM 1285 CB GLN A 84 5.483 6.690 7.745 1.00 0.00 C ATOM 1286 CG GLN A 84 6.068 7.210 9.048 1.00 0.00 C ATOM 1287 CD GLN A 84 5.087 7.129 10.201 1.00 0.00 C ATOM 1288 OE1 GLN A 84 4.323 6.170 10.315 1.00 0.00 O ATOM 1289 NE2 GLN A 84 5.104 8.137 11.064 1.00 0.00 N ATOM 0 H GLN A 84 3.643 5.793 6.374 1.00 0.00 H new ATOM 0 HA GLN A 84 3.841 8.057 7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.073 5.694 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.284 6.586 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.962 6.637 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.381 8.246 8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.754 8.912 10.931 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.467 8.137 11.861 1.00 0.00 H new ATOM 1298 N MET A 85 5.323 8.351 5.059 1.00 0.00 N ATOM 1299 CA MET A 85 5.926 9.308 4.140 1.00 0.00 C ATOM 1300 C MET A 85 4.875 9.903 3.208 1.00 0.00 C ATOM 1301 O MET A 85 5.174 10.785 2.403 1.00 0.00 O ATOM 1302 CB MET A 85 7.029 8.636 3.321 1.00 0.00 C ATOM 1303 CG MET A 85 6.516 7.561 2.377 1.00 0.00 C ATOM 1304 SD MET A 85 7.802 6.922 1.287 1.00 0.00 S ATOM 1305 CE MET A 85 7.237 5.240 1.045 1.00 0.00 C ATOM 0 H MET A 85 5.164 7.426 4.660 1.00 0.00 H new ATOM 0 HA MET A 85 6.362 10.115 4.729 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.554 9.396 2.742 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.757 8.194 4.001 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.099 6.740 2.960 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.704 7.969 1.775 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.097 4.582 0.916 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.663 4.920 1.915 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.607 5.192 0.157 1.00 0.00 H new ATOM 1315 N ASP A 86 3.645 9.414 3.322 1.00 0.00 N ATOM 1316 CA ASP A 86 2.550 9.898 2.489 1.00 0.00 C ATOM 1317 C ASP A 86 2.937 9.875 1.014 1.00 0.00 C ATOM 1318 O ASP A 86 2.621 10.799 0.265 1.00 0.00 O ATOM 1319 CB ASP A 86 2.154 11.315 2.904 1.00 0.00 C ATOM 1320 CG ASP A 86 1.132 11.327 4.024 1.00 0.00 C ATOM 1321 OD1 ASP A 86 1.522 11.086 5.185 1.00 0.00 O ATOM 1322 OD2 ASP A 86 -0.059 11.576 3.739 1.00 0.00 O ATOM 0 H ASP A 86 3.381 8.683 3.983 1.00 0.00 H new ATOM 0 HA ASP A 86 1.697 9.234 2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.043 11.859 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.749 11.843 2.041 1.00 0.00 H new ATOM 1327 N ALA A 87 3.625 8.814 0.604 1.00 0.00 N ATOM 1328 CA ALA A 87 4.055 8.671 -0.781 1.00 0.00 C ATOM 1329 C ALA A 87 4.120 7.203 -1.187 1.00 0.00 C ATOM 1330 O ALA A 87 4.575 6.356 -0.418 1.00 0.00 O ATOM 1331 CB ALA A 87 5.408 9.337 -0.985 1.00 0.00 C ATOM 0 H ALA A 87 3.896 8.041 1.212 1.00 0.00 H new ATOM 0 HA ALA A 87 3.320 9.164 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.717 9.222 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.332 10.397 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.146 8.869 -0.333 1.00 0.00 H new ATOM 1337 N ARG A 88 3.660 6.908 -2.399 1.00 0.00 N ATOM 1338 CA ARG A 88 3.664 5.541 -2.906 1.00 0.00 C ATOM 1339 C ARG A 88 5.090 5.013 -3.034 1.00 0.00 C ATOM 1340 O ARG A 88 5.893 5.545 -3.800 1.00 0.00 O ATOM 1341 CB ARG A 88 2.961 5.475 -4.263 1.00 0.00 C ATOM 1342 CG ARG A 88 3.105 4.132 -4.959 1.00 0.00 C ATOM 1343 CD ARG A 88 2.008 3.918 -5.990 1.00 0.00 C ATOM 1344 NE ARG A 88 2.398 2.953 -7.013 1.00 0.00 N ATOM 1345 CZ ARG A 88 3.283 3.213 -7.970 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.865 4.402 -8.033 1.00 0.00 N ATOM 1347 NH2 ARG A 88 3.586 2.282 -8.865 1.00 0.00 N ATOM 0 H ARG A 88 3.280 7.597 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 88 3.125 4.915 -2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.902 5.691 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.364 6.255 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.079 4.076 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.071 3.332 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.104 3.571 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.765 4.869 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 88 1.968 2.028 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.634 5.120 -7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.544 4.599 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.140 1.366 -8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.265 2.482 -9.599 1.00 0.00 H new ATOM 1361 N ALA A 89 5.397 3.963 -2.279 1.00 0.00 N ATOM 1362 CA ALA A 89 6.725 3.363 -2.309 1.00 0.00 C ATOM 1363 C ALA A 89 6.860 2.389 -3.474 1.00 0.00 C ATOM 1364 O ALA A 89 5.864 1.945 -4.044 1.00 0.00 O ATOM 1365 CB ALA A 89 7.015 2.657 -0.993 1.00 0.00 C ATOM 0 H ALA A 89 4.744 3.511 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 89 7.454 4.161 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.010 2.214 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.968 3.377 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.275 1.874 -0.829 1.00 0.00 H new ATOM 1371 N GLY A 90 8.100 2.060 -3.825 1.00 0.00 N ATOM 1372 CA GLY A 90 8.343 1.142 -4.921 1.00 0.00 C ATOM 1373 C GLY A 90 8.087 -0.302 -4.536 1.00 0.00 C ATOM 1374 O GLY A 90 8.721 -0.828 -3.622 1.00 0.00 O ATOM 0 H GLY A 90 8.941 2.414 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.704 1.409 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.374 1.248 -5.257 1.00 0.00 H new ATOM 1378 N GLU A 91 7.154 -0.943 -5.233 1.00 0.00 N ATOM 1379 CA GLU A 91 6.815 -2.333 -4.956 1.00 0.00 C ATOM 1380 C GLU A 91 8.044 -3.229 -5.081 1.00 0.00 C ATOM 1381 O GLU A 91 8.197 -4.201 -4.341 1.00 0.00 O ATOM 1382 CB GLU A 91 5.720 -2.815 -5.911 1.00 0.00 C ATOM 1383 CG GLU A 91 4.485 -1.930 -5.917 1.00 0.00 C ATOM 1384 CD GLU A 91 4.614 -0.755 -6.867 1.00 0.00 C ATOM 1385 OE1 GLU A 91 4.580 -0.979 -8.095 1.00 0.00 O ATOM 1386 OE2 GLU A 91 4.748 0.388 -6.382 1.00 0.00 O ATOM 0 H GLU A 91 6.620 -0.522 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 91 6.446 -2.392 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.126 -2.864 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.429 -3.829 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.617 -2.526 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.304 -1.559 -4.908 1.00 0.00 H new ATOM 1393 N THR A 92 8.920 -2.894 -6.024 1.00 0.00 N ATOM 1394 CA THR A 92 10.135 -3.667 -6.248 1.00 0.00 C ATOM 1395 C THR A 92 10.977 -3.748 -4.980 1.00 0.00 C ATOM 1396 O THR A 92 11.915 -4.540 -4.896 1.00 0.00 O ATOM 1397 CB THR A 92 10.986 -3.059 -7.378 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.343 -3.265 -8.641 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.375 -3.680 -7.403 1.00 0.00 C ATOM 0 H THR A 92 8.810 -2.092 -6.645 1.00 0.00 H new ATOM 0 HA THR A 92 9.823 -4.670 -6.538 1.00 0.00 H new ATOM 0 HB THR A 92 11.086 -1.990 -7.192 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.890 -2.874 -9.354 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.958 -3.235 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.873 -3.496 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.290 -4.754 -7.567 1.00 0.00 H new ATOM 1407 N MET A 93 10.635 -2.924 -3.995 1.00 0.00 N ATOM 1408 CA MET A 93 11.359 -2.905 -2.729 1.00 0.00 C ATOM 1409 C MET A 93 10.640 -3.744 -1.678 1.00 0.00 C ATOM 1410 O MET A 93 11.235 -4.148 -0.679 1.00 0.00 O ATOM 1411 CB MET A 93 11.519 -1.467 -2.230 1.00 0.00 C ATOM 1412 CG MET A 93 12.730 -0.754 -2.808 1.00 0.00 C ATOM 1413 SD MET A 93 13.091 0.798 -1.963 1.00 0.00 S ATOM 1414 CE MET A 93 11.937 1.901 -2.776 1.00 0.00 C ATOM 0 H MET A 93 9.862 -2.261 -4.049 1.00 0.00 H new ATOM 0 HA MET A 93 12.346 -3.335 -2.897 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.621 -0.902 -2.481 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.597 -1.475 -1.143 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.598 -1.410 -2.742 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.559 -0.556 -3.866 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.039 2.904 -2.362 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.150 1.927 -3.845 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.919 1.544 -2.617 1.00 0.00 H new ATOM 1424 N TYR A 94 9.358 -4.001 -1.910 1.00 0.00 N ATOM 1425 CA TYR A 94 8.557 -4.790 -0.981 1.00 0.00 C ATOM 1426 C TYR A 94 7.826 -5.914 -1.710 1.00 0.00 C ATOM 1427 O TYR A 94 6.811 -6.422 -1.233 1.00 0.00 O ATOM 1428 CB TYR A 94 7.548 -3.896 -0.258 1.00 0.00 C ATOM 1429 CG TYR A 94 8.155 -2.631 0.306 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.724 -1.678 -0.530 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.160 -2.390 1.674 1.00 0.00 C ATOM 1432 CE1 TYR A 94 9.281 -0.521 -0.019 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.713 -1.235 2.194 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.272 -0.304 1.343 1.00 0.00 C ATOM 1435 OH TYR A 94 9.825 0.847 1.857 1.00 0.00 O ATOM 0 H TYR A 94 8.851 -3.675 -2.733 1.00 0.00 H new ATOM 0 HA TYR A 94 9.230 -5.234 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.750 -3.629 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.089 -4.462 0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.731 -1.844 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.724 -3.118 2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.721 0.209 -0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.708 -1.062 3.260 1.00 0.00 H new ATOM 0 HH TYR A 94 9.736 0.845 2.833 1.00 0.00 H new ATOM 1445 N LEU A 95 8.351 -6.298 -2.868 1.00 0.00 N ATOM 1446 CA LEU A 95 7.751 -7.362 -3.665 1.00 0.00 C ATOM 1447 C LEU A 95 7.640 -8.651 -2.856 1.00 0.00 C ATOM 1448 O LEU A 95 8.642 -9.190 -2.387 1.00 0.00 O ATOM 1449 CB LEU A 95 8.578 -7.610 -4.927 1.00 0.00 C ATOM 1450 CG LEU A 95 8.189 -6.787 -6.156 1.00 0.00 C ATOM 1451 CD1 LEU A 95 9.137 -7.072 -7.311 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.751 -7.079 -6.560 1.00 0.00 C ATOM 0 H LEU A 95 9.191 -5.888 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 95 6.748 -7.046 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.624 -7.410 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.504 -8.667 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 95 8.267 -5.730 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.845 -6.478 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.155 -6.812 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.092 -8.131 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.491 -6.485 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.647 -8.138 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.083 -6.824 -5.737 1.00 0.00 H new ATOM 1464 N TYR A 96 6.415 -9.139 -2.698 1.00 0.00 N ATOM 1465 CA TYR A 96 6.172 -10.364 -1.945 1.00 0.00 C ATOM 1466 C TYR A 96 6.292 -11.590 -2.846 1.00 0.00 C ATOM 1467 O TYR A 96 5.330 -11.987 -3.502 1.00 0.00 O ATOM 1468 CB TYR A 96 4.785 -10.326 -1.301 1.00 0.00 C ATOM 1469 CG TYR A 96 4.368 -11.641 -0.682 1.00 0.00 C ATOM 1470 CD1 TYR A 96 4.806 -12.003 0.586 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.537 -12.520 -1.365 1.00 0.00 C ATOM 1472 CE1 TYR A 96 4.428 -13.204 1.156 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.153 -13.722 -0.802 1.00 0.00 C ATOM 1474 CZ TYR A 96 3.601 -14.060 0.458 1.00 0.00 C ATOM 1475 OH TYR A 96 3.222 -15.257 1.021 1.00 0.00 O ATOM 0 H TYR A 96 5.575 -8.705 -3.081 1.00 0.00 H new ATOM 0 HA TYR A 96 6.927 -10.434 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.771 -9.552 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.051 -10.040 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.453 -11.335 1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.185 -12.260 -2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.778 -13.471 2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.505 -14.394 -1.346 1.00 0.00 H new ATOM 0 HH TYR A 96 2.639 -15.741 0.399 1.00 0.00 H new ATOM 1485 N GLU A 97 7.481 -12.184 -2.871 1.00 0.00 N ATOM 1486 CA GLU A 97 7.728 -13.364 -3.691 1.00 0.00 C ATOM 1487 C GLU A 97 7.535 -14.641 -2.879 1.00 0.00 C ATOM 1488 O GLU A 97 8.442 -15.468 -2.775 1.00 0.00 O ATOM 1489 CB GLU A 97 9.144 -13.323 -4.270 1.00 0.00 C ATOM 1490 CG GLU A 97 9.287 -12.392 -5.462 1.00 0.00 C ATOM 1491 CD GLU A 97 10.688 -12.401 -6.044 1.00 0.00 C ATOM 1492 OE1 GLU A 97 11.342 -13.464 -6.002 1.00 0.00 O ATOM 1493 OE2 GLU A 97 11.129 -11.344 -6.541 1.00 0.00 O ATOM 0 H GLU A 97 8.288 -11.868 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 97 7.009 -13.363 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.838 -13.010 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.434 -14.330 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.575 -12.684 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.030 -11.377 -5.159 1.00 0.00 H new ATOM 1500 N LYS A 98 6.347 -14.796 -2.303 1.00 0.00 N ATOM 1501 CA LYS A 98 6.033 -15.971 -1.500 1.00 0.00 C ATOM 1502 C LYS A 98 7.264 -16.456 -0.741 1.00 0.00 C ATOM 1503 O LYS A 98 7.555 -17.652 -0.711 1.00 0.00 O ATOM 1504 CB LYS A 98 5.495 -17.094 -2.390 1.00 0.00 C ATOM 1505 CG LYS A 98 6.065 -17.080 -3.798 1.00 0.00 C ATOM 1506 CD LYS A 98 5.674 -18.329 -4.570 1.00 0.00 C ATOM 1507 CE LYS A 98 6.108 -19.592 -3.843 1.00 0.00 C ATOM 1508 NZ LYS A 98 6.139 -20.772 -4.751 1.00 0.00 N ATOM 0 H LYS A 98 5.586 -14.121 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 98 5.268 -15.691 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.720 -18.054 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.409 -17.014 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.707 -16.197 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.151 -17.005 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.594 -18.345 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.129 -18.303 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.097 -19.440 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.425 -19.788 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.440 -21.613 -4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.190 -20.933 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.810 -20.596 -5.526 1.00 0.00 H new ATOM 1522 N ALA A 99 7.982 -15.521 -0.127 1.00 0.00 N ATOM 1523 CA ALA A 99 9.179 -15.855 0.635 1.00 0.00 C ATOM 1524 C ALA A 99 8.830 -16.672 1.874 1.00 0.00 C ATOM 1525 O ALA A 99 7.702 -16.627 2.362 1.00 0.00 O ATOM 1526 CB ALA A 99 9.924 -14.588 1.028 1.00 0.00 C ATOM 0 H ALA A 99 7.755 -14.527 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 99 9.826 -16.462 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.816 -14.852 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.214 -14.043 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.276 -13.960 1.640 1.00 0.00 H new ATOM 1532 N ASN A 100 9.807 -17.419 2.378 1.00 0.00 N ATOM 1533 CA ASN A 100 9.603 -18.248 3.561 1.00 0.00 C ATOM 1534 C ASN A 100 10.211 -17.593 4.797 1.00 0.00 C ATOM 1535 O ASN A 100 9.572 -17.505 5.845 1.00 0.00 O ATOM 1536 CB ASN A 100 10.217 -19.634 3.350 1.00 0.00 C ATOM 1537 CG ASN A 100 11.612 -19.564 2.759 1.00 0.00 C ATOM 1538 OD1 ASN A 100 11.784 -19.260 1.579 1.00 0.00 O ATOM 1539 ND2 ASN A 100 12.617 -19.847 3.580 1.00 0.00 N ATOM 0 H ASN A 100 10.747 -17.467 1.986 1.00 0.00 H new ATOM 0 HA ASN A 100 8.530 -18.353 3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.255 -20.161 4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.574 -20.217 2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.578 -19.817 3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.428 -20.094 4.551 1.00 0.00 H new ATOM 1546 N THR A 101 11.452 -17.133 4.666 1.00 0.00 N ATOM 1547 CA THR A 101 12.148 -16.486 5.771 1.00 0.00 C ATOM 1548 C THR A 101 11.684 -15.044 5.944 1.00 0.00 C ATOM 1549 O THR A 101 11.278 -14.379 4.991 1.00 0.00 O ATOM 1550 CB THR A 101 13.674 -16.501 5.560 1.00 0.00 C ATOM 1551 OG1 THR A 101 14.014 -15.744 4.393 1.00 0.00 O ATOM 1552 CG2 THR A 101 14.186 -17.925 5.413 1.00 0.00 C ATOM 0 H THR A 101 11.995 -17.197 3.805 1.00 0.00 H new ATOM 0 HA THR A 101 11.908 -17.052 6.671 1.00 0.00 H new ATOM 0 HB THR A 101 14.144 -16.051 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.986 -15.757 4.266 1.00 0.00 H new ATOM 0 HG21 THR A 101 15.266 -17.910 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 101 13.951 -18.491 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 101 13.709 -18.396 4.554 1.00 0.00 H new ATOM 1560 N PRO A 102 11.744 -14.548 7.189 1.00 0.00 N ATOM 1561 CA PRO A 102 11.335 -13.179 7.515 1.00 0.00 C ATOM 1562 C PRO A 102 12.293 -12.137 6.948 1.00 0.00 C ATOM 1563 O PRO A 102 11.903 -10.998 6.691 1.00 0.00 O ATOM 1564 CB PRO A 102 11.365 -13.155 9.046 1.00 0.00 C ATOM 1565 CG PRO A 102 12.342 -14.215 9.422 1.00 0.00 C ATOM 1566 CD PRO A 102 12.217 -15.285 8.372 1.00 0.00 C ATOM 0 HA PRO A 102 10.362 -12.932 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.675 -12.180 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 102 10.379 -13.358 9.465 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.356 -13.817 9.455 1.00 0.00 H new ATOM 0 HG3 PRO A 102 12.124 -14.613 10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.171 -15.777 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.512 -16.061 8.671 1.00 0.00 H new ATOM 1574 N GLU A 103 13.546 -12.534 6.755 1.00 0.00 N ATOM 1575 CA GLU A 103 14.559 -11.633 6.218 1.00 0.00 C ATOM 1576 C GLU A 103 14.423 -11.502 4.703 1.00 0.00 C ATOM 1577 O GLU A 103 13.542 -12.108 4.094 1.00 0.00 O ATOM 1578 CB GLU A 103 15.960 -12.134 6.574 1.00 0.00 C ATOM 1579 CG GLU A 103 16.334 -13.436 5.885 1.00 0.00 C ATOM 1580 CD GLU A 103 17.834 -13.649 5.815 1.00 0.00 C ATOM 1581 OE1 GLU A 103 18.448 -13.902 6.873 1.00 0.00 O ATOM 1582 OE2 GLU A 103 18.393 -13.564 4.702 1.00 0.00 O ATOM 0 H GLU A 103 13.884 -13.474 6.962 1.00 0.00 H new ATOM 0 HA GLU A 103 14.408 -10.651 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.689 -11.369 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 103 16.024 -12.272 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.877 -14.269 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.923 -13.440 4.876 1.00 0.00 H new ATOM 1589 N SER A 104 15.303 -10.707 4.103 1.00 0.00 N ATOM 1590 CA SER A 104 15.279 -10.492 2.660 1.00 0.00 C ATOM 1591 C SER A 104 16.645 -10.036 2.157 1.00 0.00 C ATOM 1592 O SER A 104 17.097 -8.935 2.466 1.00 0.00 O ATOM 1593 CB SER A 104 14.215 -9.455 2.295 1.00 0.00 C ATOM 1594 OG SER A 104 14.267 -9.136 0.916 1.00 0.00 O ATOM 0 H SER A 104 16.041 -10.201 4.593 1.00 0.00 H new ATOM 0 HA SER A 104 15.032 -11.439 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.226 -9.840 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 104 14.365 -8.552 2.886 1.00 0.00 H new ATOM 0 HG SER A 104 13.576 -8.473 0.707 1.00 0.00 H new ATOM 1600 N GLY A 105 17.298 -10.893 1.377 1.00 0.00 N ATOM 1601 CA GLY A 105 18.605 -10.561 0.842 1.00 0.00 C ATOM 1602 C GLY A 105 19.714 -10.759 1.856 1.00 0.00 C ATOM 1603 O GLY A 105 19.468 -11.019 3.034 1.00 0.00 O ATOM 0 H GLY A 105 16.945 -11.811 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.803 -11.179 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 105 18.604 -9.524 0.507 1.00 0.00 H new ATOM 1607 N PRO A 106 20.969 -10.639 1.398 1.00 0.00 N ATOM 1608 CA PRO A 106 22.145 -10.804 2.258 1.00 0.00 C ATOM 1609 C PRO A 106 22.296 -9.664 3.259 1.00 0.00 C ATOM 1610 O PRO A 106 21.662 -8.618 3.123 1.00 0.00 O ATOM 1611 CB PRO A 106 23.311 -10.804 1.267 1.00 0.00 C ATOM 1612 CG PRO A 106 22.809 -10.040 0.091 1.00 0.00 C ATOM 1613 CD PRO A 106 21.336 -10.331 0.006 1.00 0.00 C ATOM 0 HA PRO A 106 22.083 -11.707 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 106 24.195 -10.333 1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 106 23.594 -11.819 0.988 1.00 0.00 H new ATOM 0 HG2 PRO A 106 22.989 -8.972 0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 106 23.321 -10.347 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 106 20.779 -9.476 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 106 21.130 -11.170 -0.659 1.00 0.00 H new ATOM 1621 N SER A 107 23.140 -9.873 4.264 1.00 0.00 N ATOM 1622 CA SER A 107 23.372 -8.863 5.290 1.00 0.00 C ATOM 1623 C SER A 107 24.805 -8.936 5.810 1.00 0.00 C ATOM 1624 O SER A 107 25.265 -9.990 6.249 1.00 0.00 O ATOM 1625 CB SER A 107 22.388 -9.046 6.447 1.00 0.00 C ATOM 1626 OG SER A 107 22.534 -10.323 7.044 1.00 0.00 O ATOM 0 H SER A 107 23.675 -10.733 4.390 1.00 0.00 H new ATOM 0 HA SER A 107 23.216 -7.882 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.553 -8.270 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 107 21.368 -8.926 6.083 1.00 0.00 H new ATOM 0 HG SER A 107 23.456 -10.635 6.928 1.00 0.00 H new ATOM 1632 N SER A 108 25.505 -7.807 5.756 1.00 0.00 N ATOM 1633 CA SER A 108 26.887 -7.742 6.217 1.00 0.00 C ATOM 1634 C SER A 108 27.629 -9.034 5.892 1.00 0.00 C ATOM 1635 O SER A 108 28.415 -9.532 6.698 1.00 0.00 O ATOM 1636 CB SER A 108 26.932 -7.480 7.724 1.00 0.00 C ATOM 1637 OG SER A 108 26.191 -8.457 8.434 1.00 0.00 O ATOM 0 H SER A 108 25.138 -6.925 5.398 1.00 0.00 H new ATOM 0 HA SER A 108 27.379 -6.920 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 108 27.967 -7.484 8.066 1.00 0.00 H new ATOM 0 HB3 SER A 108 26.530 -6.489 7.936 1.00 0.00 H new ATOM 0 HG SER A 108 26.237 -8.268 9.395 1.00 0.00 H new ATOM 1643 N GLY A 109 27.374 -9.574 4.704 1.00 0.00 N ATOM 1644 CA GLY A 109 28.025 -10.804 4.292 1.00 0.00 C ATOM 1645 C GLY A 109 28.384 -10.804 2.820 1.00 0.00 C ATOM 1646 O GLY A 109 27.653 -11.355 1.996 1.00 0.00 O ATOM 0 H GLY A 109 26.728 -9.181 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 109 28.929 -10.949 4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 109 27.368 -11.648 4.503 1.00 0.00 H new TER 1650 GLY A 109