USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 116 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 117 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.024) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.366 K(o=0.9,f=-4.4) USER MOD Set 2.2: A 114 ASN : amide:sc= 0.537 K(o=0.9,f=-3.6!) USER MOD Set 3.1: A 62 THR OG1 : rot 109:sc= 0.887 USER MOD Set 3.2: A 73 GLN : amide:sc= 1.39 K(o=2.3,f=0.77) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.41) USER MOD Single : A 48 THR OG1 : rot 59:sc= 1.15 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 52 ASN : amide:sc= 0.597 K(o=0.6,f=-6.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 66 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.0293 USER MOD Single : A 74 SER OG : rot -150:sc= 0 USER MOD Single : A 87 TYR OH : rot 151:sc= 1.25 USER MOD Single : A 89 ASN : amide:sc= 0.544 K(o=0.54,f=-4.9!) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 0.767 (180deg=0.502!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.872 K(o=-0.87,f=-7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.973 K(o=0.97,f=-0.22) USER MOD Single : A 108 THR OG1 : rot 57:sc= 0.315! USER MOD Single : A 111 SER OG : rot 70:sc= 0.516 USER MOD Single : A 115 TYR OH : rot 180:sc= -0.971 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 1.126 12.695 -4.186 1.00 0.00 N ATOM 2 CA TYR A 44 0.272 11.715 -3.446 1.00 0.00 C ATOM 3 C TYR A 44 -1.104 11.574 -4.104 1.00 0.00 C ATOM 4 O TYR A 44 -1.500 12.416 -4.911 1.00 0.00 O ATOM 5 CB TYR A 44 0.121 12.184 -1.992 1.00 0.00 C ATOM 6 CG TYR A 44 1.422 12.623 -1.351 1.00 0.00 C ATOM 7 CD1 TYR A 44 2.426 11.705 -1.067 1.00 0.00 C ATOM 8 CD2 TYR A 44 1.646 13.957 -1.037 1.00 0.00 C ATOM 9 CE1 TYR A 44 3.617 12.107 -0.489 1.00 0.00 C ATOM 10 CE2 TYR A 44 2.834 14.364 -0.458 1.00 0.00 C ATOM 11 CZ TYR A 44 3.814 13.437 -0.188 1.00 0.00 C ATOM 12 OH TYR A 44 4.997 13.842 0.386 1.00 0.00 O ATOM 0 HA TYR A 44 0.752 10.737 -3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.587 13.012 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.309 11.374 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.274 10.662 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.880 14.688 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.388 11.382 -0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.992 15.405 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 44 4.975 14.811 0.533 1.00 0.00 H new ATOM 22 N CYS A 45 -1.828 10.506 -3.759 1.00 0.00 N ATOM 23 CA CYS A 45 -3.159 10.265 -4.327 1.00 0.00 C ATOM 24 C CYS A 45 -4.266 10.708 -3.374 1.00 0.00 C ATOM 25 O CYS A 45 -4.127 10.618 -2.154 1.00 0.00 O ATOM 26 CB CYS A 45 -3.359 8.781 -4.656 1.00 0.00 C ATOM 27 SG CYS A 45 -1.968 8.000 -5.534 1.00 0.00 S ATOM 0 H CYS A 45 -1.518 9.798 -3.093 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.218 10.854 -5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.535 8.238 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.258 8.676 -5.263 1.00 0.00 H new ATOM 32 N HIS A 46 -5.378 11.160 -3.947 1.00 0.00 N ATOM 33 CA HIS A 46 -6.529 11.590 -3.162 1.00 0.00 C ATOM 34 C HIS A 46 -7.832 11.145 -3.810 1.00 0.00 C ATOM 35 O HIS A 46 -7.830 10.328 -4.740 1.00 0.00 O ATOM 36 CB HIS A 46 -6.532 13.102 -2.971 1.00 0.00 C ATOM 37 CG HIS A 46 -6.780 13.528 -1.559 1.00 0.00 C ATOM 38 ND1 HIS A 46 -6.157 12.943 -0.479 1.00 0.00 N ATOM 39 CD2 HIS A 46 -7.587 14.488 -1.052 1.00 0.00 C ATOM 40 CE1 HIS A 46 -6.570 13.525 0.634 1.00 0.00 C ATOM 41 NE2 HIS A 46 -7.440 14.466 0.313 1.00 0.00 N ATOM 0 H HIS A 46 -5.506 11.238 -4.956 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.449 11.118 -2.183 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.573 13.503 -3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.297 13.539 -3.613 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.228 15.149 -1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.251 13.274 1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.924 15.077 0.972 1.00 0.00 H new ATOM 50 N ARG A 47 -8.938 11.670 -3.292 1.00 0.00 N ATOM 51 CA ARG A 47 -10.268 11.312 -3.771 1.00 0.00 C ATOM 52 C ARG A 47 -10.563 9.878 -3.347 1.00 0.00 C ATOM 53 O ARG A 47 -9.672 9.168 -2.873 1.00 0.00 O ATOM 54 CB ARG A 47 -10.390 11.493 -5.296 1.00 0.00 C ATOM 55 CG ARG A 47 -10.656 10.212 -6.081 1.00 0.00 C ATOM 56 CD ARG A 47 -9.930 10.217 -7.415 1.00 0.00 C ATOM 57 NE ARG A 47 -8.475 10.285 -7.244 1.00 0.00 N ATOM 58 CZ ARG A 47 -7.612 10.426 -8.244 1.00 0.00 C ATOM 59 NH1 ARG A 47 -8.036 10.513 -9.490 1.00 0.00 N ATOM 60 NH2 ARG A 47 -6.320 10.477 -7.991 1.00 0.00 N ATOM 0 H ARG A 47 -8.938 12.351 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.007 11.980 -3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.195 12.199 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.470 11.944 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.336 9.351 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.727 10.102 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.189 9.317 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.266 11.067 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.102 10.220 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.035 10.472 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.365 10.621 -10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.985 10.408 -7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.654 10.585 -8.756 1.00 0.00 H new ATOM 74 N THR A 48 -11.800 9.454 -3.490 1.00 0.00 N ATOM 75 CA THR A 48 -12.172 8.102 -3.084 1.00 0.00 C ATOM 76 C THR A 48 -13.246 7.519 -3.998 1.00 0.00 C ATOM 77 O THR A 48 -14.366 7.224 -3.568 1.00 0.00 O ATOM 78 CB THR A 48 -12.619 8.120 -1.616 1.00 0.00 C ATOM 79 OG1 THR A 48 -13.942 8.617 -1.491 1.00 0.00 O ATOM 80 CG2 THR A 48 -11.721 8.976 -0.739 1.00 0.00 C ATOM 0 H THR A 48 -12.561 10.011 -3.878 1.00 0.00 H new ATOM 0 HA THR A 48 -11.304 7.450 -3.177 1.00 0.00 H new ATOM 0 HB THR A 48 -12.561 7.084 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.553 8.057 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.085 8.951 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.703 8.588 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.730 10.004 -1.103 1.00 0.00 H new ATOM 88 N THR A 49 -12.888 7.364 -5.271 1.00 0.00 N ATOM 89 CA THR A 49 -13.798 6.824 -6.281 1.00 0.00 C ATOM 90 C THR A 49 -13.026 6.093 -7.380 1.00 0.00 C ATOM 91 O THR A 49 -11.791 6.059 -7.372 1.00 0.00 O ATOM 92 CB THR A 49 -14.624 7.953 -6.905 1.00 0.00 C ATOM 93 OG1 THR A 49 -13.815 9.094 -7.143 1.00 0.00 O ATOM 94 CG2 THR A 49 -15.786 8.392 -6.046 1.00 0.00 C ATOM 0 H THR A 49 -11.965 7.607 -5.631 1.00 0.00 H new ATOM 0 HA THR A 49 -14.462 6.114 -5.789 1.00 0.00 H new ATOM 0 HB THR A 49 -15.015 7.541 -7.835 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.360 9.804 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.327 9.194 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.457 7.548 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.414 8.751 -5.087 1.00 0.00 H new ATOM 102 N ILE A 50 -13.765 5.524 -8.332 1.00 0.00 N ATOM 103 CA ILE A 50 -13.164 4.806 -9.454 1.00 0.00 C ATOM 104 C ILE A 50 -13.179 5.678 -10.722 1.00 0.00 C ATOM 105 O ILE A 50 -13.480 6.871 -10.651 1.00 0.00 O ATOM 106 CB ILE A 50 -13.895 3.458 -9.696 1.00 0.00 C ATOM 107 CG1 ILE A 50 -12.914 2.403 -10.215 1.00 0.00 C ATOM 108 CG2 ILE A 50 -15.068 3.619 -10.655 1.00 0.00 C ATOM 109 CD1 ILE A 50 -12.599 1.321 -9.205 1.00 0.00 C ATOM 0 H ILE A 50 -14.785 5.547 -8.348 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.126 4.585 -9.207 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.297 3.123 -8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.329 1.942 -11.111 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.987 2.895 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -15.555 2.654 -10.800 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.784 4.328 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.706 3.990 -11.614 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.898 0.609 -9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.154 1.770 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.517 0.803 -8.928 1.00 0.00 H new ATOM 121 N GLY A 51 -12.843 5.086 -11.874 1.00 0.00 N ATOM 122 CA GLY A 51 -12.820 5.831 -13.132 1.00 0.00 C ATOM 123 C GLY A 51 -14.063 6.676 -13.363 1.00 0.00 C ATOM 124 O GLY A 51 -13.959 7.855 -13.700 1.00 0.00 O ATOM 0 H GLY A 51 -12.586 4.103 -11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.943 6.479 -13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.710 5.129 -13.958 1.00 0.00 H new ATOM 128 N ASN A 52 -15.239 6.077 -13.187 1.00 0.00 N ATOM 129 CA ASN A 52 -16.501 6.787 -13.381 1.00 0.00 C ATOM 130 C ASN A 52 -17.315 6.850 -12.085 1.00 0.00 C ATOM 131 O ASN A 52 -17.013 6.157 -11.110 1.00 0.00 O ATOM 132 CB ASN A 52 -17.322 6.116 -14.487 1.00 0.00 C ATOM 133 CG ASN A 52 -18.251 7.088 -15.195 1.00 0.00 C ATOM 134 OD1 ASN A 52 -18.555 8.163 -14.680 1.00 0.00 O ATOM 135 ND2 ASN A 52 -18.712 6.713 -16.377 1.00 0.00 N ATOM 0 H ASN A 52 -15.344 5.101 -12.910 1.00 0.00 H new ATOM 0 HA ASN A 52 -16.266 7.809 -13.679 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.646 5.669 -15.216 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.910 5.305 -14.057 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.343 7.324 -16.895 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.436 5.813 -16.770 1.00 0.00 H new ATOM 142 N PHE A 53 -18.353 7.684 -12.086 1.00 0.00 N ATOM 143 CA PHE A 53 -19.218 7.841 -10.915 1.00 0.00 C ATOM 144 C PHE A 53 -20.094 6.606 -10.709 1.00 0.00 C ATOM 145 O PHE A 53 -20.849 6.210 -11.599 1.00 0.00 O ATOM 146 CB PHE A 53 -20.099 9.086 -11.062 1.00 0.00 C ATOM 147 CG PHE A 53 -19.327 10.347 -11.338 1.00 0.00 C ATOM 148 CD1 PHE A 53 -18.799 11.091 -10.297 1.00 0.00 C ATOM 149 CD2 PHE A 53 -19.130 10.785 -12.638 1.00 0.00 C ATOM 150 CE1 PHE A 53 -18.087 12.250 -10.544 1.00 0.00 C ATOM 151 CE2 PHE A 53 -18.417 11.942 -12.893 1.00 0.00 C ATOM 152 CZ PHE A 53 -17.895 12.675 -11.845 1.00 0.00 C ATOM 0 H PHE A 53 -18.617 8.262 -12.884 1.00 0.00 H new ATOM 0 HA PHE A 53 -18.578 7.959 -10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -20.811 8.922 -11.871 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -20.679 9.219 -10.149 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.945 10.762 -9.279 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -19.538 10.217 -13.461 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.682 12.822 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.268 12.272 -13.910 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.338 13.579 -12.042 1.00 0.00 H new ATOM 162 N SER A 54 -19.984 6.008 -9.522 1.00 0.00 N ATOM 163 CA SER A 54 -20.753 4.812 -9.165 1.00 0.00 C ATOM 164 C SER A 54 -20.272 3.590 -9.951 1.00 0.00 C ATOM 165 O SER A 54 -20.763 3.308 -11.046 1.00 0.00 O ATOM 166 CB SER A 54 -22.251 5.038 -9.405 1.00 0.00 C ATOM 167 OG SER A 54 -22.982 4.917 -8.197 1.00 0.00 O ATOM 0 H SER A 54 -19.362 6.336 -8.783 1.00 0.00 H new ATOM 0 HA SER A 54 -20.593 4.621 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 54 -22.409 6.028 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 54 -22.620 4.314 -10.132 1.00 0.00 H new ATOM 0 HG SER A 54 -23.934 5.067 -8.374 1.00 0.00 H new ATOM 173 N GLY A 55 -19.298 2.871 -9.387 1.00 0.00 N ATOM 174 CA GLY A 55 -18.758 1.692 -10.054 1.00 0.00 C ATOM 175 C GLY A 55 -18.720 0.453 -9.173 1.00 0.00 C ATOM 176 O GLY A 55 -19.699 -0.291 -9.111 1.00 0.00 O ATOM 0 H GLY A 55 -18.875 3.083 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.358 1.479 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.748 1.912 -10.400 1.00 0.00 H new ATOM 180 N PRO A 56 -17.585 0.192 -8.491 1.00 0.00 N ATOM 181 CA PRO A 56 -17.430 -0.989 -7.630 1.00 0.00 C ATOM 182 C PRO A 56 -18.175 -0.879 -6.298 1.00 0.00 C ATOM 183 O PRO A 56 -18.692 0.180 -5.937 1.00 0.00 O ATOM 184 CB PRO A 56 -15.920 -1.041 -7.390 1.00 0.00 C ATOM 185 CG PRO A 56 -15.486 0.379 -7.475 1.00 0.00 C ATOM 186 CD PRO A 56 -16.358 1.011 -8.526 1.00 0.00 C ATOM 0 HA PRO A 56 -17.848 -1.880 -8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.686 -1.471 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.419 -1.656 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.603 0.882 -6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.433 0.451 -7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.566 2.057 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.886 0.986 -9.508 1.00 0.00 H new ATOM 194 N TYR A 57 -18.211 -1.991 -5.568 1.00 0.00 N ATOM 195 CA TYR A 57 -18.879 -2.048 -4.270 1.00 0.00 C ATOM 196 C TYR A 57 -17.911 -1.696 -3.134 1.00 0.00 C ATOM 197 O TYR A 57 -16.744 -1.372 -3.375 1.00 0.00 O ATOM 198 CB TYR A 57 -19.472 -3.445 -4.051 1.00 0.00 C ATOM 199 CG TYR A 57 -20.917 -3.432 -3.604 1.00 0.00 C ATOM 200 CD1 TYR A 57 -21.929 -3.032 -4.468 1.00 0.00 C ATOM 201 CD2 TYR A 57 -21.272 -3.824 -2.319 1.00 0.00 C ATOM 202 CE1 TYR A 57 -23.249 -3.022 -4.063 1.00 0.00 C ATOM 203 CE2 TYR A 57 -22.592 -3.817 -1.909 1.00 0.00 C ATOM 204 CZ TYR A 57 -23.575 -3.414 -2.785 1.00 0.00 C ATOM 205 OH TYR A 57 -24.890 -3.407 -2.380 1.00 0.00 O ATOM 0 H TYR A 57 -17.782 -2.871 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 57 -19.683 -1.312 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.393 -4.012 -4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -18.875 -3.970 -3.305 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.679 -2.724 -5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -20.503 -4.139 -1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -24.023 -2.707 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.851 -4.126 -0.907 1.00 0.00 H new ATOM 0 HH TYR A 57 -24.948 -3.713 -1.451 1.00 0.00 H new ATOM 215 N THR A 58 -18.404 -1.755 -1.896 1.00 0.00 N ATOM 216 CA THR A 58 -17.593 -1.438 -0.713 1.00 0.00 C ATOM 217 C THR A 58 -16.235 -2.140 -0.743 1.00 0.00 C ATOM 218 O THR A 58 -16.144 -3.354 -0.551 1.00 0.00 O ATOM 219 CB THR A 58 -18.340 -1.826 0.564 1.00 0.00 C ATOM 220 OG1 THR A 58 -19.742 -1.803 0.348 1.00 0.00 O ATOM 221 CG2 THR A 58 -18.037 -0.911 1.728 1.00 0.00 C ATOM 0 H THR A 58 -19.366 -2.020 -1.683 1.00 0.00 H new ATOM 0 HA THR A 58 -17.417 -0.362 -0.725 1.00 0.00 H new ATOM 0 HB THR A 58 -17.997 -2.830 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.204 -2.055 1.174 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.597 -1.239 2.604 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.970 -0.942 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.325 0.109 1.474 1.00 0.00 H new ATOM 229 N TYR A 59 -15.184 -1.363 -0.982 1.00 0.00 N ATOM 230 CA TYR A 59 -13.822 -1.889 -1.038 1.00 0.00 C ATOM 231 C TYR A 59 -12.862 -0.978 -0.265 1.00 0.00 C ATOM 232 O TYR A 59 -13.255 0.092 0.202 1.00 0.00 O ATOM 233 CB TYR A 59 -13.369 -2.002 -2.499 1.00 0.00 C ATOM 234 CG TYR A 59 -13.629 -3.355 -3.125 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.916 -3.868 -3.213 1.00 0.00 C ATOM 236 CD2 TYR A 59 -12.587 -4.116 -3.637 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.158 -5.098 -3.791 1.00 0.00 C ATOM 238 CE2 TYR A 59 -12.822 -5.348 -4.217 1.00 0.00 C ATOM 239 CZ TYR A 59 -14.108 -5.833 -4.290 1.00 0.00 C ATOM 240 OH TYR A 59 -14.346 -7.056 -4.868 1.00 0.00 O ATOM 0 H TYR A 59 -15.249 -0.358 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 59 -13.810 -2.877 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.879 -1.238 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.302 -1.787 -2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.743 -3.294 -2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.576 -3.739 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -16.166 -5.481 -3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.000 -5.928 -4.611 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.499 -7.445 -5.171 1.00 0.00 H new ATOM 250 N CYS A 60 -11.600 -1.398 -0.140 1.00 0.00 N ATOM 251 CA CYS A 60 -10.600 -0.592 0.572 1.00 0.00 C ATOM 252 C CYS A 60 -10.455 0.773 -0.099 1.00 0.00 C ATOM 253 O CYS A 60 -10.270 0.866 -1.315 1.00 0.00 O ATOM 254 CB CYS A 60 -9.232 -1.290 0.646 1.00 0.00 C ATOM 255 SG CYS A 60 -9.242 -3.052 0.189 1.00 0.00 S ATOM 0 H CYS A 60 -11.248 -2.278 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.955 -0.464 1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.537 -0.764 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.847 -1.196 1.661 1.00 0.00 H new ATOM 260 N ASN A 61 -10.562 1.825 0.697 1.00 0.00 N ATOM 261 CA ASN A 61 -10.473 3.195 0.193 1.00 0.00 C ATOM 262 C ASN A 61 -9.075 3.534 -0.329 1.00 0.00 C ATOM 263 O ASN A 61 -8.077 3.300 0.351 1.00 0.00 O ATOM 264 CB ASN A 61 -10.866 4.174 1.304 1.00 0.00 C ATOM 265 CG ASN A 61 -10.748 5.627 0.889 1.00 0.00 C ATOM 266 OD1 ASN A 61 -10.927 5.972 -0.276 1.00 0.00 O ATOM 267 ND2 ASN A 61 -10.442 6.490 1.845 1.00 0.00 N ATOM 0 H ASN A 61 -10.712 1.760 1.704 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.161 3.283 -0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.892 3.973 1.610 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.233 3.999 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.347 7.482 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.301 6.163 2.801 1.00 0.00 H new ATOM 274 N THR A 62 -9.022 4.101 -1.536 1.00 0.00 N ATOM 275 CA THR A 62 -7.759 4.504 -2.159 1.00 0.00 C ATOM 276 C THR A 62 -7.007 5.482 -1.263 1.00 0.00 C ATOM 277 O THR A 62 -7.268 6.687 -1.277 1.00 0.00 O ATOM 278 CB THR A 62 -8.014 5.129 -3.536 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.100 4.489 -4.188 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.820 5.050 -4.461 1.00 0.00 C ATOM 0 H THR A 62 -9.846 4.293 -2.106 1.00 0.00 H new ATOM 0 HA THR A 62 -7.143 3.614 -2.291 1.00 0.00 H new ATOM 0 HB THR A 62 -8.233 6.178 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.870 5.095 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.069 5.510 -5.417 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.977 5.577 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.552 4.006 -4.620 1.00 0.00 H new ATOM 288 N THR A 63 -6.093 4.944 -0.462 1.00 0.00 N ATOM 289 CA THR A 63 -5.320 5.753 0.479 1.00 0.00 C ATOM 290 C THR A 63 -3.819 5.733 0.192 1.00 0.00 C ATOM 291 O THR A 63 -3.358 5.174 -0.807 1.00 0.00 O ATOM 292 CB THR A 63 -5.561 5.256 1.908 1.00 0.00 C ATOM 293 OG1 THR A 63 -4.974 6.145 2.845 1.00 0.00 O ATOM 294 CG2 THR A 63 -4.988 3.877 2.172 1.00 0.00 C ATOM 0 H THR A 63 -5.868 3.949 -0.444 1.00 0.00 H new ATOM 0 HA THR A 63 -5.662 6.781 0.362 1.00 0.00 H new ATOM 0 HB THR A 63 -6.644 5.208 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.137 5.817 3.754 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.195 3.588 3.202 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.446 3.157 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.910 3.894 2.009 1.00 0.00 H new ATOM 302 N LEU A 64 -3.074 6.337 1.111 1.00 0.00 N ATOM 303 CA LEU A 64 -1.622 6.413 1.046 1.00 0.00 C ATOM 304 C LEU A 64 -1.046 6.133 2.429 1.00 0.00 C ATOM 305 O LEU A 64 -1.536 6.658 3.433 1.00 0.00 O ATOM 306 CB LEU A 64 -1.200 7.797 0.548 1.00 0.00 C ATOM 307 CG LEU A 64 0.306 8.045 0.379 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.919 8.530 1.679 1.00 0.00 C ATOM 309 CD2 LEU A 64 1.019 6.796 -0.114 1.00 0.00 C ATOM 0 H LEU A 64 -3.469 6.794 1.933 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.239 5.668 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.683 7.973 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.591 8.541 1.242 1.00 0.00 H new ATOM 0 HG LEU A 64 0.432 8.822 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.986 8.700 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.441 9.462 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.771 7.778 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.083 7.004 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.879 5.989 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.606 6.498 -1.078 1.00 0.00 H new ATOM 321 N ASP A 65 -0.029 5.294 2.483 1.00 0.00 N ATOM 322 CA ASP A 65 0.589 4.932 3.758 1.00 0.00 C ATOM 323 C ASP A 65 1.949 5.620 3.944 1.00 0.00 C ATOM 324 O ASP A 65 2.280 6.557 3.217 1.00 0.00 O ATOM 325 CB ASP A 65 0.700 3.404 3.864 1.00 0.00 C ATOM 326 CG ASP A 65 1.941 2.837 3.209 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.933 2.682 1.971 1.00 0.00 O ATOM 328 OD2 ASP A 65 2.909 2.528 3.935 1.00 0.00 O ATOM 0 H ASP A 65 0.390 4.849 1.667 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.047 5.288 4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.694 3.120 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.180 2.952 3.407 1.00 0.00 H new ATOM 333 N GLN A 66 2.722 5.161 4.932 1.00 0.00 N ATOM 334 CA GLN A 66 4.040 5.737 5.229 1.00 0.00 C ATOM 335 C GLN A 66 4.868 5.946 3.957 1.00 0.00 C ATOM 336 O GLN A 66 5.337 7.054 3.692 1.00 0.00 O ATOM 337 CB GLN A 66 4.798 4.841 6.212 1.00 0.00 C ATOM 338 CG GLN A 66 5.148 5.539 7.521 1.00 0.00 C ATOM 339 CD GLN A 66 6.611 5.399 7.885 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.954 4.765 8.880 1.00 0.00 O ATOM 341 NE2 GLN A 66 7.482 5.987 7.078 1.00 0.00 N ATOM 0 H GLN A 66 2.458 4.389 5.543 1.00 0.00 H new ATOM 0 HA GLN A 66 3.879 6.715 5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.194 3.960 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.715 4.490 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.897 6.597 7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.537 5.125 8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.153 6.504 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.481 5.923 7.272 1.00 0.00 H new ATOM 350 N ILE A 67 5.040 4.884 3.173 1.00 0.00 N ATOM 351 CA ILE A 67 5.802 4.971 1.926 1.00 0.00 C ATOM 352 C ILE A 67 4.920 5.478 0.787 1.00 0.00 C ATOM 353 O ILE A 67 3.689 5.437 0.876 1.00 0.00 O ATOM 354 CB ILE A 67 6.428 3.614 1.518 1.00 0.00 C ATOM 355 CG1 ILE A 67 5.472 2.452 1.809 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.754 3.405 2.233 1.00 0.00 C ATOM 357 CD1 ILE A 67 5.740 1.223 0.967 1.00 0.00 C ATOM 0 H ILE A 67 4.665 3.957 3.376 1.00 0.00 H new ATOM 0 HA ILE A 67 6.613 5.676 2.110 1.00 0.00 H new ATOM 0 HB ILE A 67 6.610 3.637 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.549 2.184 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.448 2.783 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.181 2.447 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.442 4.207 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.591 3.411 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.026 0.441 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.635 1.475 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.753 0.867 1.156 1.00 0.00 H new ATOM 369 N GLY A 68 5.549 5.957 -0.289 1.00 0.00 N ATOM 370 CA GLY A 68 4.799 6.469 -1.431 1.00 0.00 C ATOM 371 C GLY A 68 4.011 5.393 -2.163 1.00 0.00 C ATOM 372 O GLY A 68 4.201 5.186 -3.360 1.00 0.00 O ATOM 0 H GLY A 68 6.563 6.000 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.112 7.243 -1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.490 6.942 -2.129 1.00 0.00 H new ATOM 376 N THR A 69 3.119 4.714 -1.445 1.00 0.00 N ATOM 377 CA THR A 69 2.299 3.659 -2.037 1.00 0.00 C ATOM 378 C THR A 69 0.809 3.945 -1.852 1.00 0.00 C ATOM 379 O THR A 69 0.297 3.939 -0.730 1.00 0.00 O ATOM 380 CB THR A 69 2.648 2.299 -1.419 1.00 0.00 C ATOM 381 OG1 THR A 69 3.908 1.846 -1.878 1.00 0.00 O ATOM 382 CG2 THR A 69 1.649 1.214 -1.743 1.00 0.00 C ATOM 0 H THR A 69 2.946 4.875 -0.453 1.00 0.00 H new ATOM 0 HA THR A 69 2.513 3.633 -3.105 1.00 0.00 H new ATOM 0 HB THR A 69 2.647 2.473 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.042 0.915 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.960 0.281 -1.273 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.667 1.500 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.598 1.077 -2.823 1.00 0.00 H new ATOM 390 N CYS A 70 0.114 4.175 -2.963 1.00 0.00 N ATOM 391 CA CYS A 70 -1.323 4.437 -2.926 1.00 0.00 C ATOM 392 C CYS A 70 -2.084 3.113 -2.934 1.00 0.00 C ATOM 393 O CYS A 70 -1.912 2.294 -3.839 1.00 0.00 O ATOM 394 CB CYS A 70 -1.744 5.319 -4.104 1.00 0.00 C ATOM 395 SG CYS A 70 -0.990 6.981 -4.077 1.00 0.00 S ATOM 0 H CYS A 70 0.521 4.185 -3.898 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.564 4.975 -2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.473 4.821 -5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.829 5.421 -4.101 1.00 0.00 H new ATOM 400 N TRP A 71 -2.899 2.898 -1.909 1.00 0.00 N ATOM 401 CA TRP A 71 -3.660 1.655 -1.777 1.00 0.00 C ATOM 402 C TRP A 71 -5.135 1.843 -2.152 1.00 0.00 C ATOM 403 O TRP A 71 -5.935 2.317 -1.341 1.00 0.00 O ATOM 404 CB TRP A 71 -3.530 1.127 -0.342 1.00 0.00 C ATOM 405 CG TRP A 71 -2.109 1.000 0.130 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.373 1.938 0.802 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.252 -0.136 -0.031 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.114 1.453 1.057 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.016 0.181 0.563 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.412 -1.392 -0.619 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.052 -0.713 0.588 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.351 -2.279 -0.598 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.866 -1.936 0.005 1.00 0.00 C ATOM 0 H TRP A 71 -3.052 3.567 -1.154 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.246 0.926 -2.474 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.069 1.794 0.331 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.013 0.152 -0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.730 2.916 1.089 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.629 1.960 1.538 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.348 -1.666 -1.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.992 -0.450 1.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.463 -3.252 -1.054 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.674 -2.652 0.010 1.00 0.00 H new ATOM 424 N PRO A 72 -5.513 1.471 -3.397 1.00 0.00 N ATOM 425 CA PRO A 72 -6.892 1.594 -3.897 1.00 0.00 C ATOM 426 C PRO A 72 -7.788 0.420 -3.488 1.00 0.00 C ATOM 427 O PRO A 72 -7.424 -0.385 -2.635 1.00 0.00 O ATOM 428 CB PRO A 72 -6.685 1.611 -5.408 1.00 0.00 C ATOM 429 CG PRO A 72 -5.513 0.721 -5.626 1.00 0.00 C ATOM 430 CD PRO A 72 -4.617 0.896 -4.424 1.00 0.00 C ATOM 0 HA PRO A 72 -7.402 2.470 -3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.566 1.245 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.492 2.620 -5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.828 -0.318 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.988 0.987 -6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.194 -0.054 -4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.780 1.560 -4.642 1.00 0.00 H new ATOM 438 N GLN A 73 -8.968 0.338 -4.101 1.00 0.00 N ATOM 439 CA GLN A 73 -9.928 -0.729 -3.804 1.00 0.00 C ATOM 440 C GLN A 73 -9.331 -2.116 -4.073 1.00 0.00 C ATOM 441 O GLN A 73 -9.160 -2.522 -5.223 1.00 0.00 O ATOM 442 CB GLN A 73 -11.209 -0.535 -4.627 1.00 0.00 C ATOM 443 CG GLN A 73 -12.164 0.497 -4.035 1.00 0.00 C ATOM 444 CD GLN A 73 -11.734 1.923 -4.318 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.227 2.557 -5.248 1.00 0.00 O ATOM 446 NE2 GLN A 73 -10.814 2.438 -3.516 1.00 0.00 N ATOM 0 H GLN A 73 -9.285 1.000 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.171 -0.671 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.939 -0.230 -5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.726 -1.491 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.163 0.336 -4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.230 0.349 -2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.430 1.878 -2.755 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.490 3.394 -3.660 1.00 0.00 H new ATOM 455 N SER A 74 -9.011 -2.833 -2.996 1.00 0.00 N ATOM 456 CA SER A 74 -8.427 -4.175 -3.098 1.00 0.00 C ATOM 457 C SER A 74 -9.511 -5.255 -3.012 1.00 0.00 C ATOM 458 O SER A 74 -9.898 -5.833 -4.027 1.00 0.00 O ATOM 459 CB SER A 74 -7.378 -4.388 -1.995 1.00 0.00 C ATOM 460 OG SER A 74 -6.408 -5.349 -2.383 1.00 0.00 O ATOM 0 H SER A 74 -9.146 -2.508 -2.039 1.00 0.00 H new ATOM 0 HA SER A 74 -7.940 -4.257 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.886 -3.442 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.871 -4.715 -1.080 1.00 0.00 H new ATOM 0 HG SER A 74 -6.070 -5.812 -1.588 1.00 0.00 H new ATOM 466 N ALA A 75 -9.993 -5.518 -1.794 1.00 0.00 N ATOM 467 CA ALA A 75 -11.029 -6.522 -1.550 1.00 0.00 C ATOM 468 C ALA A 75 -11.201 -6.756 -0.048 1.00 0.00 C ATOM 469 O ALA A 75 -10.212 -6.941 0.665 1.00 0.00 O ATOM 470 CB ALA A 75 -10.679 -7.831 -2.251 1.00 0.00 C ATOM 0 H ALA A 75 -9.675 -5.040 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.970 -6.151 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.460 -8.567 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.599 -7.659 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.728 -8.204 -1.871 1.00 0.00 H new ATOM 476 N PRO A 76 -12.452 -6.753 0.459 1.00 0.00 N ATOM 477 CA PRO A 76 -12.719 -6.974 1.888 1.00 0.00 C ATOM 478 C PRO A 76 -12.131 -8.301 2.373 1.00 0.00 C ATOM 479 O PRO A 76 -12.626 -9.375 2.030 1.00 0.00 O ATOM 480 CB PRO A 76 -14.254 -6.981 1.980 1.00 0.00 C ATOM 481 CG PRO A 76 -14.732 -7.176 0.578 1.00 0.00 C ATOM 482 CD PRO A 76 -13.692 -6.548 -0.305 1.00 0.00 C ATOM 0 HA PRO A 76 -12.262 -6.211 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.605 -7.782 2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.627 -6.045 2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.850 -8.235 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.705 -6.708 0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.649 -7.027 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.892 -5.490 -0.477 1.00 0.00 H new ATOM 490 N GLY A 77 -11.055 -8.213 3.159 1.00 0.00 N ATOM 491 CA GLY A 77 -10.394 -9.409 3.663 1.00 0.00 C ATOM 492 C GLY A 77 -9.366 -9.953 2.679 1.00 0.00 C ATOM 493 O GLY A 77 -9.288 -11.161 2.460 1.00 0.00 O ATOM 0 H GLY A 77 -10.630 -7.334 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.904 -9.180 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.141 -10.176 3.868 1.00 0.00 H new ATOM 497 N ALA A 78 -8.586 -9.051 2.079 1.00 0.00 N ATOM 498 CA ALA A 78 -7.571 -9.427 1.106 1.00 0.00 C ATOM 499 C ALA A 78 -6.243 -8.717 1.369 1.00 0.00 C ATOM 500 O ALA A 78 -6.201 -7.503 1.592 1.00 0.00 O ATOM 501 CB ALA A 78 -8.062 -9.114 -0.302 1.00 0.00 C ATOM 0 H ALA A 78 -8.643 -8.048 2.255 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.397 -10.499 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.298 -9.398 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.976 -9.674 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.264 -8.046 -0.388 1.00 0.00 H new ATOM 507 N LEU A 79 -5.167 -9.487 1.332 1.00 0.00 N ATOM 508 CA LEU A 79 -3.821 -8.958 1.549 1.00 0.00 C ATOM 509 C LEU A 79 -3.203 -8.500 0.226 1.00 0.00 C ATOM 510 O LEU A 79 -3.100 -9.276 -0.727 1.00 0.00 O ATOM 511 CB LEU A 79 -2.926 -10.016 2.206 1.00 0.00 C ATOM 512 CG LEU A 79 -1.881 -9.473 3.188 1.00 0.00 C ATOM 513 CD1 LEU A 79 -2.519 -9.179 4.535 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.744 -10.465 3.349 1.00 0.00 C ATOM 0 H LEU A 79 -5.196 -10.491 1.152 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.897 -8.099 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.561 -10.728 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.410 -10.569 1.421 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.479 -8.543 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.763 -8.794 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.307 -8.436 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.946 -10.095 4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.010 -10.066 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.135 -11.408 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.269 -10.634 2.382 1.00 0.00 H new ATOM 526 N VAL A 80 -2.789 -7.239 0.179 1.00 0.00 N ATOM 527 CA VAL A 80 -2.171 -6.671 -1.018 1.00 0.00 C ATOM 528 C VAL A 80 -0.656 -6.543 -0.836 1.00 0.00 C ATOM 529 O VAL A 80 -0.171 -6.250 0.261 1.00 0.00 O ATOM 530 CB VAL A 80 -2.780 -5.296 -1.366 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.603 -4.320 -0.217 1.00 0.00 C ATOM 532 CG2 VAL A 80 -2.179 -4.742 -2.650 1.00 0.00 C ATOM 0 H VAL A 80 -2.870 -6.586 0.959 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.371 -7.352 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.849 -5.433 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.040 -3.358 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.101 -4.709 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.541 -4.191 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.625 -3.773 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.102 -4.626 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.378 -5.430 -3.472 1.00 0.00 H new ATOM 542 N GLU A 81 0.086 -6.786 -1.910 1.00 0.00 N ATOM 543 CA GLU A 81 1.547 -6.725 -1.871 1.00 0.00 C ATOM 544 C GLU A 81 2.111 -5.655 -2.809 1.00 0.00 C ATOM 545 O GLU A 81 1.623 -5.455 -3.925 1.00 0.00 O ATOM 546 CB GLU A 81 2.153 -8.092 -2.230 1.00 0.00 C ATOM 547 CG GLU A 81 1.210 -9.032 -2.980 1.00 0.00 C ATOM 548 CD GLU A 81 0.744 -8.476 -4.315 1.00 0.00 C ATOM 549 OE1 GLU A 81 -0.270 -7.742 -4.331 1.00 0.00 O ATOM 550 OE2 GLU A 81 1.384 -8.778 -5.340 1.00 0.00 O ATOM 0 H GLU A 81 -0.299 -7.028 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 81 1.823 -6.455 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.043 -7.931 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.478 -8.582 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.714 -9.984 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.340 -9.237 -2.356 1.00 0.00 H new ATOM 557 N ARG A 82 3.156 -4.980 -2.342 1.00 0.00 N ATOM 558 CA ARG A 82 3.827 -3.937 -3.117 1.00 0.00 C ATOM 559 C ARG A 82 5.337 -3.984 -2.862 1.00 0.00 C ATOM 560 O ARG A 82 5.769 -4.414 -1.796 1.00 0.00 O ATOM 561 CB ARG A 82 3.256 -2.560 -2.752 1.00 0.00 C ATOM 562 CG ARG A 82 1.770 -2.411 -3.063 1.00 0.00 C ATOM 563 CD ARG A 82 1.497 -2.516 -4.555 1.00 0.00 C ATOM 564 NE ARG A 82 0.073 -2.355 -4.876 1.00 0.00 N ATOM 565 CZ ARG A 82 -0.739 -3.354 -5.230 1.00 0.00 C ATOM 566 NH1 ARG A 82 -0.345 -4.615 -5.136 1.00 0.00 N ATOM 567 NH2 ARG A 82 -1.968 -3.088 -5.638 1.00 0.00 N ATOM 0 H ARG A 82 3.562 -5.138 -1.420 1.00 0.00 H new ATOM 0 HA ARG A 82 3.651 -4.111 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.416 -2.380 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.810 -1.792 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.208 -3.181 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.415 -1.448 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.074 -1.756 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.841 -3.485 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.323 -1.416 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.589 -4.833 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.976 -5.368 -5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.293 -2.122 -5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.591 -3.849 -5.909 1.00 0.00 H new ATOM 581 N PRO A 83 6.166 -3.559 -3.836 1.00 0.00 N ATOM 582 CA PRO A 83 7.633 -3.578 -3.691 1.00 0.00 C ATOM 583 C PRO A 83 8.139 -2.675 -2.559 1.00 0.00 C ATOM 584 O PRO A 83 7.549 -1.631 -2.270 1.00 0.00 O ATOM 585 CB PRO A 83 8.135 -3.070 -5.050 1.00 0.00 C ATOM 586 CG PRO A 83 6.982 -2.325 -5.630 1.00 0.00 C ATOM 587 CD PRO A 83 5.752 -3.039 -5.151 1.00 0.00 C ATOM 0 HA PRO A 83 7.994 -4.573 -3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.005 -2.424 -4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.436 -3.896 -5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.983 -1.285 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.030 -2.316 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.899 -2.365 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.460 -3.841 -5.829 1.00 0.00 H new ATOM 595 N CYS A 84 9.239 -3.089 -1.925 1.00 0.00 N ATOM 596 CA CYS A 84 9.831 -2.321 -0.824 1.00 0.00 C ATOM 597 C CYS A 84 10.357 -0.964 -1.304 1.00 0.00 C ATOM 598 O CYS A 84 10.609 -0.769 -2.495 1.00 0.00 O ATOM 599 CB CYS A 84 10.971 -3.111 -0.164 1.00 0.00 C ATOM 600 SG CYS A 84 10.524 -3.859 1.440 1.00 0.00 S ATOM 0 H CYS A 84 9.737 -3.949 -2.153 1.00 0.00 H new ATOM 0 HA CYS A 84 9.043 -2.145 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.294 -3.900 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.823 -2.447 -0.019 1.00 0.00 H new ATOM 605 N PRO A 85 10.538 -0.008 -0.367 1.00 0.00 N ATOM 606 CA PRO A 85 11.042 1.337 -0.681 1.00 0.00 C ATOM 607 C PRO A 85 12.303 1.299 -1.551 1.00 0.00 C ATOM 608 O PRO A 85 13.228 0.532 -1.285 1.00 0.00 O ATOM 609 CB PRO A 85 11.351 1.949 0.698 1.00 0.00 C ATOM 610 CG PRO A 85 11.220 0.829 1.681 1.00 0.00 C ATOM 611 CD PRO A 85 10.271 -0.155 1.070 1.00 0.00 C ATOM 0 HA PRO A 85 10.318 1.914 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 85 12.355 2.374 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 85 10.657 2.757 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 85 12.188 0.367 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.842 1.192 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.462 -1.171 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.234 0.076 1.315 1.00 0.00 H new ATOM 619 N GLU A 86 12.320 2.125 -2.601 1.00 0.00 N ATOM 620 CA GLU A 86 13.459 2.176 -3.523 1.00 0.00 C ATOM 621 C GLU A 86 14.323 3.429 -3.313 1.00 0.00 C ATOM 622 O GLU A 86 15.551 3.335 -3.286 1.00 0.00 O ATOM 623 CB GLU A 86 12.969 2.105 -4.974 1.00 0.00 C ATOM 624 CG GLU A 86 13.913 1.338 -5.894 1.00 0.00 C ATOM 625 CD GLU A 86 13.257 0.878 -7.182 1.00 0.00 C ATOM 626 OE1 GLU A 86 12.359 0.014 -7.116 1.00 0.00 O ATOM 627 OE2 GLU A 86 13.654 1.373 -8.260 1.00 0.00 O ATOM 0 H GLU A 86 11.561 2.766 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 86 14.088 1.311 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.988 1.631 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.843 3.118 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.767 1.971 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.301 0.469 -5.362 1.00 0.00 H new ATOM 634 N TYR A 87 13.690 4.599 -3.172 1.00 0.00 N ATOM 635 CA TYR A 87 14.436 5.849 -2.974 1.00 0.00 C ATOM 636 C TYR A 87 13.689 6.822 -2.053 1.00 0.00 C ATOM 637 O TYR A 87 13.063 7.775 -2.523 1.00 0.00 O ATOM 638 CB TYR A 87 14.722 6.542 -4.320 1.00 0.00 C ATOM 639 CG TYR A 87 14.927 5.598 -5.484 1.00 0.00 C ATOM 640 CD1 TYR A 87 16.161 5.006 -5.714 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.884 5.302 -6.353 1.00 0.00 C ATOM 642 CE1 TYR A 87 16.350 4.144 -6.778 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.068 4.443 -7.418 1.00 0.00 C ATOM 644 CZ TYR A 87 15.302 3.868 -7.624 1.00 0.00 C ATOM 645 OH TYR A 87 15.483 3.008 -8.678 1.00 0.00 O ATOM 0 H TYR A 87 12.676 4.708 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 87 15.379 5.577 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.893 7.210 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.611 7.163 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.986 5.222 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.915 5.751 -6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 87 17.316 3.690 -6.944 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.248 4.223 -8.086 1.00 0.00 H new ATOM 0 HH TYR A 87 14.636 2.562 -8.885 1.00 0.00 H new ATOM 655 N PHE A 88 13.767 6.591 -0.743 1.00 0.00 N ATOM 656 CA PHE A 88 13.104 7.468 0.226 1.00 0.00 C ATOM 657 C PHE A 88 14.061 7.919 1.342 1.00 0.00 C ATOM 658 O PHE A 88 13.645 8.594 2.285 1.00 0.00 O ATOM 659 CB PHE A 88 11.886 6.762 0.837 1.00 0.00 C ATOM 660 CG PHE A 88 10.764 6.528 -0.137 1.00 0.00 C ATOM 661 CD1 PHE A 88 10.097 7.595 -0.715 1.00 0.00 C ATOM 662 CD2 PHE A 88 10.373 5.241 -0.465 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.062 7.382 -1.606 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.337 5.021 -1.354 1.00 0.00 C ATOM 665 CZ PHE A 88 8.681 6.093 -1.926 1.00 0.00 C ATOM 0 H PHE A 88 14.278 5.811 -0.329 1.00 0.00 H new ATOM 0 HA PHE A 88 12.777 8.358 -0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.203 5.803 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.513 7.358 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.389 8.605 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.883 4.399 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.551 8.223 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.041 4.012 -1.601 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.872 5.924 -2.622 1.00 0.00 H new ATOM 675 N ASN A 89 15.340 7.543 1.235 1.00 0.00 N ATOM 676 CA ASN A 89 16.335 7.906 2.241 1.00 0.00 C ATOM 677 C ASN A 89 17.696 8.195 1.604 1.00 0.00 C ATOM 678 O ASN A 89 17.839 8.192 0.372 1.00 0.00 O ATOM 679 CB ASN A 89 16.469 6.774 3.267 1.00 0.00 C ATOM 680 CG ASN A 89 16.554 7.289 4.687 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.481 8.021 5.033 1.00 0.00 O ATOM 682 ND2 ASN A 89 15.593 6.914 5.517 1.00 0.00 N ATOM 0 H ASN A 89 15.707 6.988 0.462 1.00 0.00 H new ATOM 0 HA ASN A 89 15.998 8.816 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.615 6.103 3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.360 6.187 3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.602 7.233 6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.843 6.306 5.188 1.00 0.00 H new ATOM 689 N GLY A 90 18.703 8.421 2.452 1.00 0.00 N ATOM 690 CA GLY A 90 20.050 8.683 1.965 1.00 0.00 C ATOM 691 C GLY A 90 20.727 7.438 1.403 1.00 0.00 C ATOM 692 O GLY A 90 21.791 7.533 0.791 1.00 0.00 O ATOM 0 H GLY A 90 18.608 8.427 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.009 9.450 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.654 9.084 2.779 1.00 0.00 H new ATOM 696 N ILE A 91 20.104 6.271 1.597 1.00 0.00 N ATOM 697 CA ILE A 91 20.650 5.013 1.095 1.00 0.00 C ATOM 698 C ILE A 91 19.932 4.598 -0.189 1.00 0.00 C ATOM 699 O ILE A 91 18.743 4.873 -0.356 1.00 0.00 O ATOM 700 CB ILE A 91 20.533 3.877 2.143 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.105 3.330 2.207 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.969 4.361 3.516 1.00 0.00 C ATOM 703 CD1 ILE A 91 18.954 1.973 1.560 1.00 0.00 C ATOM 0 H ILE A 91 19.221 6.175 2.099 1.00 0.00 H new ATOM 0 HA ILE A 91 21.707 5.178 0.888 1.00 0.00 H new ATOM 0 HB ILE A 91 21.196 3.070 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.795 3.264 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.432 4.034 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.878 3.547 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 91 22.006 4.692 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.336 5.192 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 91 17.918 1.645 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.233 2.038 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.602 1.256 2.063 1.00 0.00 H new ATOM 715 N LYS A 92 20.653 3.947 -1.097 1.00 0.00 N ATOM 716 CA LYS A 92 20.067 3.513 -2.363 1.00 0.00 C ATOM 717 C LYS A 92 20.391 2.044 -2.647 1.00 0.00 C ATOM 718 O LYS A 92 21.395 1.730 -3.292 1.00 0.00 O ATOM 719 CB LYS A 92 20.556 4.408 -3.509 1.00 0.00 C ATOM 720 CG LYS A 92 19.436 5.168 -4.208 1.00 0.00 C ATOM 721 CD LYS A 92 19.364 6.622 -3.752 1.00 0.00 C ATOM 722 CE LYS A 92 18.868 6.736 -2.318 1.00 0.00 C ATOM 723 NZ LYS A 92 18.522 8.139 -1.952 1.00 0.00 N ATOM 0 H LYS A 92 21.638 3.709 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 92 18.984 3.605 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.280 5.123 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.079 3.793 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.592 5.133 -5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.484 4.677 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.350 7.079 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.699 7.179 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.992 6.101 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.635 6.364 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.419 8.213 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.278 8.778 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.627 8.406 -2.409 1.00 0.00 H new ATOM 737 N TYR A 93 19.530 1.154 -2.157 1.00 0.00 N ATOM 738 CA TYR A 93 19.702 -0.288 -2.346 1.00 0.00 C ATOM 739 C TYR A 93 18.518 -1.056 -1.749 1.00 0.00 C ATOM 740 O TYR A 93 17.565 -0.447 -1.259 1.00 0.00 O ATOM 741 CB TYR A 93 21.028 -0.764 -1.728 1.00 0.00 C ATOM 742 CG TYR A 93 21.235 -0.343 -0.288 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.537 -0.956 0.745 1.00 0.00 C ATOM 744 CD2 TYR A 93 22.137 0.663 0.038 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.730 -0.576 2.059 1.00 0.00 C ATOM 746 CE2 TYR A 93 22.335 1.045 1.352 1.00 0.00 C ATOM 747 CZ TYR A 93 21.629 0.423 2.357 1.00 0.00 C ATOM 748 OH TYR A 93 21.825 0.806 3.665 1.00 0.00 O ATOM 0 H TYR A 93 18.700 1.408 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 93 19.735 -0.490 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.072 -1.852 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 93 21.853 -0.380 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.832 -1.742 0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.692 1.154 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.177 -1.061 2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.040 1.828 1.589 1.00 0.00 H new ATOM 0 HH TYR A 93 22.493 1.522 3.700 1.00 0.00 H new ATOM 758 N ASN A 94 18.578 -2.390 -1.803 1.00 0.00 N ATOM 759 CA ASN A 94 17.507 -3.242 -1.276 1.00 0.00 C ATOM 760 C ASN A 94 16.264 -3.174 -2.179 1.00 0.00 C ATOM 761 O ASN A 94 15.205 -2.693 -1.773 1.00 0.00 O ATOM 762 CB ASN A 94 17.159 -2.840 0.167 1.00 0.00 C ATOM 763 CG ASN A 94 16.153 -3.772 0.815 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.474 -4.898 1.187 1.00 0.00 O ATOM 765 ND2 ASN A 94 14.921 -3.307 0.950 1.00 0.00 N ATOM 0 H ASN A 94 19.360 -2.905 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 94 17.861 -4.273 -1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.071 -2.826 0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.761 -1.825 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.200 -3.889 1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.693 -2.366 0.629 1.00 0.00 H new ATOM 772 N THR A 95 16.411 -3.661 -3.410 1.00 0.00 N ATOM 773 CA THR A 95 15.318 -3.663 -4.385 1.00 0.00 C ATOM 774 C THR A 95 14.799 -5.086 -4.613 1.00 0.00 C ATOM 775 O THR A 95 14.833 -5.601 -5.732 1.00 0.00 O ATOM 776 CB THR A 95 15.788 -3.055 -5.716 1.00 0.00 C ATOM 777 OG1 THR A 95 17.203 -3.098 -5.822 1.00 0.00 O ATOM 778 CG2 THR A 95 15.363 -1.616 -5.900 1.00 0.00 C ATOM 0 H THR A 95 17.282 -4.062 -3.759 1.00 0.00 H new ATOM 0 HA THR A 95 14.505 -3.056 -3.987 1.00 0.00 H new ATOM 0 HB THR A 95 15.315 -3.662 -6.488 1.00 0.00 H new ATOM 0 HG1 THR A 95 17.479 -2.707 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.727 -1.249 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.275 -1.552 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.780 -1.008 -5.097 1.00 0.00 H new ATOM 786 N THR A 96 14.335 -5.725 -3.541 1.00 0.00 N ATOM 787 CA THR A 96 13.831 -7.102 -3.634 1.00 0.00 C ATOM 788 C THR A 96 12.614 -7.353 -2.737 1.00 0.00 C ATOM 789 O THR A 96 11.629 -7.940 -3.180 1.00 0.00 O ATOM 790 CB THR A 96 14.939 -8.098 -3.280 1.00 0.00 C ATOM 791 OG1 THR A 96 16.188 -7.668 -3.792 1.00 0.00 O ATOM 792 CG2 THR A 96 14.688 -9.490 -3.812 1.00 0.00 C ATOM 0 H THR A 96 14.296 -5.321 -2.605 1.00 0.00 H new ATOM 0 HA THR A 96 13.511 -7.246 -4.666 1.00 0.00 H new ATOM 0 HB THR A 96 14.948 -8.136 -2.191 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.881 -8.318 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 96 15.512 -10.143 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.757 -9.876 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.614 -9.456 -4.899 1.00 0.00 H new ATOM 800 N ARG A 97 12.693 -6.928 -1.474 1.00 0.00 N ATOM 801 CA ARG A 97 11.595 -7.136 -0.526 1.00 0.00 C ATOM 802 C ARG A 97 10.321 -6.409 -0.960 1.00 0.00 C ATOM 803 O ARG A 97 10.333 -5.589 -1.884 1.00 0.00 O ATOM 804 CB ARG A 97 12.004 -6.689 0.878 1.00 0.00 C ATOM 805 CG ARG A 97 12.961 -7.652 1.566 1.00 0.00 C ATOM 806 CD ARG A 97 14.416 -7.281 1.319 1.00 0.00 C ATOM 807 NE ARG A 97 15.150 -7.082 2.573 1.00 0.00 N ATOM 808 CZ ARG A 97 15.468 -8.053 3.422 1.00 0.00 C ATOM 809 NH1 ARG A 97 15.153 -9.310 3.164 1.00 0.00 N ATOM 810 NH2 ARG A 97 16.102 -7.761 4.538 1.00 0.00 N ATOM 0 H ARG A 97 13.500 -6.441 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 97 11.379 -8.204 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.472 -5.706 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.109 -6.578 1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.764 -7.655 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.778 -8.664 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.897 -8.067 0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.462 -6.370 0.723 1.00 0.00 H new ATOM 0 HE ARG A 97 15.436 -6.132 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.659 -9.546 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.404 -10.045 3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.347 -6.793 4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.349 -8.503 5.193 1.00 0.00 H new ATOM 824 N ASN A 98 9.220 -6.725 -0.289 1.00 0.00 N ATOM 825 CA ASN A 98 7.926 -6.123 -0.608 1.00 0.00 C ATOM 826 C ASN A 98 7.210 -5.567 0.638 1.00 0.00 C ATOM 827 O ASN A 98 7.828 -5.320 1.672 1.00 0.00 O ATOM 828 CB ASN A 98 7.048 -7.155 -1.337 1.00 0.00 C ATOM 829 CG ASN A 98 6.259 -8.043 -0.394 1.00 0.00 C ATOM 830 OD1 ASN A 98 6.772 -8.502 0.624 1.00 0.00 O ATOM 831 ND2 ASN A 98 5.005 -8.289 -0.731 1.00 0.00 N ATOM 0 H ASN A 98 9.195 -7.395 0.480 1.00 0.00 H new ATOM 0 HA ASN A 98 8.104 -5.269 -1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.356 -6.632 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.681 -7.779 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.424 -8.880 -0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.618 -7.888 -1.585 1.00 0.00 H new ATOM 838 N ALA A 99 5.904 -5.342 0.504 1.00 0.00 N ATOM 839 CA ALA A 99 5.079 -4.787 1.570 1.00 0.00 C ATOM 840 C ALA A 99 3.662 -5.376 1.541 1.00 0.00 C ATOM 841 O ALA A 99 2.844 -4.994 0.702 1.00 0.00 O ATOM 842 CB ALA A 99 5.046 -3.277 1.411 1.00 0.00 C ATOM 0 H ALA A 99 5.388 -5.542 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 99 5.508 -5.047 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.433 -2.841 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.060 -2.882 1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.622 -3.023 0.440 1.00 0.00 H new ATOM 848 N TYR A 100 3.376 -6.313 2.452 1.00 0.00 N ATOM 849 CA TYR A 100 2.052 -6.943 2.508 1.00 0.00 C ATOM 850 C TYR A 100 1.081 -6.115 3.350 1.00 0.00 C ATOM 851 O TYR A 100 1.251 -5.979 4.564 1.00 0.00 O ATOM 852 CB TYR A 100 2.131 -8.363 3.083 1.00 0.00 C ATOM 853 CG TYR A 100 2.808 -9.370 2.179 1.00 0.00 C ATOM 854 CD1 TYR A 100 2.166 -9.857 1.047 1.00 0.00 C ATOM 855 CD2 TYR A 100 4.082 -9.841 2.465 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.779 -10.785 0.226 1.00 0.00 C ATOM 857 CE2 TYR A 100 4.700 -10.769 1.647 1.00 0.00 C ATOM 858 CZ TYR A 100 4.043 -11.237 0.530 1.00 0.00 C ATOM 859 OH TYR A 100 4.654 -12.157 -0.287 1.00 0.00 O ATOM 0 H TYR A 100 4.036 -6.649 3.154 1.00 0.00 H new ATOM 0 HA TYR A 100 1.684 -6.995 1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.667 -8.328 4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.121 -8.710 3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.174 -9.505 0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.599 -9.477 3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.268 -11.154 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.692 -11.125 1.882 1.00 0.00 H new ATOM 0 HH TYR A 100 5.542 -12.370 0.068 1.00 0.00 H new ATOM 869 N ARG A 101 0.054 -5.580 2.701 1.00 0.00 N ATOM 870 CA ARG A 101 -0.954 -4.784 3.393 1.00 0.00 C ATOM 871 C ARG A 101 -2.303 -5.500 3.383 1.00 0.00 C ATOM 872 O ARG A 101 -2.742 -6.007 2.350 1.00 0.00 O ATOM 873 CB ARG A 101 -1.074 -3.401 2.752 1.00 0.00 C ATOM 874 CG ARG A 101 -1.798 -2.392 3.628 1.00 0.00 C ATOM 875 CD ARG A 101 -1.659 -0.982 3.082 1.00 0.00 C ATOM 876 NE ARG A 101 -1.177 -0.052 4.104 1.00 0.00 N ATOM 877 CZ ARG A 101 0.090 0.039 4.501 1.00 0.00 C ATOM 878 NH1 ARG A 101 1.025 -0.702 3.940 1.00 0.00 N ATOM 879 NH2 ARG A 101 0.419 0.873 5.466 1.00 0.00 N ATOM 0 H ARG A 101 -0.103 -5.682 1.698 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.642 -4.657 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.076 -3.025 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.602 -3.493 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.854 -2.656 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.396 -2.433 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.969 -0.985 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.623 -0.641 2.705 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.858 0.568 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.780 -1.353 3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.993 -0.624 4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.297 1.449 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.390 0.943 5.771 1.00 0.00 H new ATOM 893 N GLU A 102 -2.953 -5.548 4.540 1.00 0.00 N ATOM 894 CA GLU A 102 -4.240 -6.213 4.668 1.00 0.00 C ATOM 895 C GLU A 102 -5.394 -5.225 4.491 1.00 0.00 C ATOM 896 O GLU A 102 -5.281 -4.041 4.824 1.00 0.00 O ATOM 897 CB GLU A 102 -4.311 -6.923 6.029 1.00 0.00 C ATOM 898 CG GLU A 102 -5.563 -6.641 6.857 1.00 0.00 C ATOM 899 CD GLU A 102 -5.312 -6.811 8.344 1.00 0.00 C ATOM 900 OE1 GLU A 102 -4.712 -5.903 8.953 1.00 0.00 O ATOM 901 OE2 GLU A 102 -5.683 -7.864 8.902 1.00 0.00 O ATOM 0 H GLU A 102 -2.607 -5.132 5.405 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.338 -6.957 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.243 -7.998 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.438 -6.635 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.906 -5.625 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.363 -7.313 6.545 1.00 0.00 H new ATOM 908 N CYS A 103 -6.504 -5.727 3.966 1.00 0.00 N ATOM 909 CA CYS A 103 -7.693 -4.908 3.745 1.00 0.00 C ATOM 910 C CYS A 103 -8.837 -5.394 4.625 1.00 0.00 C ATOM 911 O CYS A 103 -9.528 -6.358 4.284 1.00 0.00 O ATOM 912 CB CYS A 103 -8.111 -4.932 2.274 1.00 0.00 C ATOM 913 SG CYS A 103 -9.646 -4.014 1.927 1.00 0.00 S ATOM 0 H CYS A 103 -6.608 -6.702 3.684 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.451 -3.879 4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.305 -4.514 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.240 -5.968 1.960 1.00 0.00 H new ATOM 918 N LEU A 104 -9.016 -4.729 5.763 1.00 0.00 N ATOM 919 CA LEU A 104 -10.064 -5.085 6.723 1.00 0.00 C ATOM 920 C LEU A 104 -11.396 -5.377 6.035 1.00 0.00 C ATOM 921 O LEU A 104 -11.891 -4.572 5.240 1.00 0.00 O ATOM 922 CB LEU A 104 -10.234 -3.966 7.754 1.00 0.00 C ATOM 923 CG LEU A 104 -9.493 -4.184 9.076 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.929 -5.487 9.728 1.00 0.00 C ATOM 925 CD2 LEU A 104 -7.990 -4.183 8.853 1.00 0.00 C ATOM 0 H LEU A 104 -8.445 -3.933 6.047 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.751 -5.999 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.890 -3.031 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.296 -3.847 7.966 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.745 -3.362 9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.390 -5.623 10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.000 -5.454 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.709 -6.320 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.481 -4.339 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.724 -4.984 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.685 -3.225 8.432 1.00 0.00 H new ATOM 937 N GLU A 105 -11.973 -6.537 6.361 1.00 0.00 N ATOM 938 CA GLU A 105 -13.256 -6.968 5.798 1.00 0.00 C ATOM 939 C GLU A 105 -14.321 -5.869 5.895 1.00 0.00 C ATOM 940 O GLU A 105 -15.249 -5.826 5.088 1.00 0.00 O ATOM 941 CB GLU A 105 -13.749 -8.235 6.512 1.00 0.00 C ATOM 942 CG GLU A 105 -13.954 -8.062 8.014 1.00 0.00 C ATOM 943 CD GLU A 105 -15.398 -7.787 8.389 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.208 -8.734 8.360 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.715 -6.622 8.713 1.00 0.00 O ATOM 0 H GLU A 105 -11.566 -7.201 7.020 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.094 -7.183 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.690 -8.551 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.030 -9.037 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.617 -8.963 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.330 -7.241 8.368 1.00 0.00 H new ATOM 952 N ASN A 106 -14.174 -4.975 6.878 1.00 0.00 N ATOM 953 CA ASN A 106 -15.119 -3.873 7.067 1.00 0.00 C ATOM 954 C ASN A 106 -15.101 -2.907 5.874 1.00 0.00 C ATOM 955 O ASN A 106 -16.029 -2.117 5.695 1.00 0.00 O ATOM 956 CB ASN A 106 -14.800 -3.120 8.364 1.00 0.00 C ATOM 957 CG ASN A 106 -15.963 -3.103 9.340 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.377 -2.044 9.803 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.490 -4.273 9.669 1.00 0.00 N ATOM 0 H ASN A 106 -13.410 -4.994 7.554 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.120 -4.298 7.137 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.937 -3.582 8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.520 -2.095 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.267 -4.315 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.119 -5.132 9.263 1.00 0.00 H new ATOM 966 N GLY A 107 -14.043 -2.978 5.056 1.00 0.00 N ATOM 967 CA GLY A 107 -13.934 -2.110 3.894 1.00 0.00 C ATOM 968 C GLY A 107 -12.931 -0.990 4.089 1.00 0.00 C ATOM 969 O GLY A 107 -13.184 0.148 3.698 1.00 0.00 O ATOM 0 H GLY A 107 -13.262 -3.622 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.644 -2.705 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.912 -1.682 3.673 1.00 0.00 H new ATOM 973 N THR A 108 -11.790 -1.309 4.694 1.00 0.00 N ATOM 974 CA THR A 108 -10.745 -0.310 4.934 1.00 0.00 C ATOM 975 C THR A 108 -9.349 -0.872 4.674 1.00 0.00 C ATOM 976 O THR A 108 -9.186 -1.922 4.048 1.00 0.00 O ATOM 977 CB THR A 108 -10.846 0.253 6.360 1.00 0.00 C ATOM 978 OG1 THR A 108 -9.813 1.197 6.606 1.00 0.00 O ATOM 979 CG2 THR A 108 -10.771 -0.803 7.443 1.00 0.00 C ATOM 0 H THR A 108 -11.563 -2.246 5.027 1.00 0.00 H new ATOM 0 HA THR A 108 -10.906 0.504 4.227 1.00 0.00 H new ATOM 0 HB THR A 108 -11.830 0.719 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.858 1.913 5.938 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.849 -0.328 8.421 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.590 -1.512 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.820 -1.331 7.371 1.00 0.00 H new ATOM 987 N TRP A 109 -8.353 -0.144 5.147 1.00 0.00 N ATOM 988 CA TRP A 109 -6.951 -0.523 4.973 1.00 0.00 C ATOM 989 C TRP A 109 -6.251 -0.780 6.306 1.00 0.00 C ATOM 990 O TRP A 109 -6.617 -0.208 7.332 1.00 0.00 O ATOM 991 CB TRP A 109 -6.217 0.585 4.223 1.00 0.00 C ATOM 992 CG TRP A 109 -6.277 0.428 2.743 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.722 1.347 1.842 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.886 -0.720 1.992 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.621 0.845 0.572 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.109 -0.425 0.637 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.363 -1.969 2.334 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.825 -1.333 -0.375 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.083 -2.870 1.329 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.314 -2.546 -0.012 1.00 0.00 C ATOM 0 H TRP A 109 -8.487 0.726 5.662 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.929 -1.452 4.404 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.647 1.548 4.498 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.174 0.600 4.539 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.099 2.328 2.092 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.884 1.336 -0.283 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.181 -2.224 3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.002 -1.088 -1.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.680 -3.840 1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.083 -3.272 -0.778 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.228 -1.636 6.276 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.463 -1.958 7.472 1.00 0.00 C ATOM 1013 C ALA A 110 -3.071 -1.323 7.436 1.00 0.00 C ATOM 1014 O ALA A 110 -2.630 -0.819 6.400 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.350 -3.465 7.621 1.00 0.00 C ATOM 0 H ALA A 110 -4.913 -2.117 5.433 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.991 -1.548 8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.777 -3.700 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.347 -3.898 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.845 -3.880 6.749 1.00 0.00 H new ATOM 1021 N SER A 111 -2.382 -1.364 8.571 1.00 0.00 N ATOM 1022 CA SER A 111 -1.036 -0.804 8.682 1.00 0.00 C ATOM 1023 C SER A 111 -0.003 -1.914 8.896 1.00 0.00 C ATOM 1024 O SER A 111 0.845 -1.821 9.787 1.00 0.00 O ATOM 1025 CB SER A 111 -0.980 0.204 9.835 1.00 0.00 C ATOM 1026 OG SER A 111 -1.028 -0.451 11.095 1.00 0.00 O ATOM 0 H SER A 111 -2.734 -1.781 9.433 1.00 0.00 H new ATOM 0 HA SER A 111 -0.797 -0.290 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.065 0.792 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.814 0.901 9.753 1.00 0.00 H new ATOM 0 HG SER A 111 -0.193 -0.943 11.240 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.085 -2.966 8.082 1.00 0.00 N ATOM 1033 CA ARG A 112 0.842 -4.092 8.191 1.00 0.00 C ATOM 1034 C ARG A 112 2.159 -3.806 7.463 1.00 0.00 C ATOM 1035 O ARG A 112 3.096 -3.289 8.067 1.00 0.00 O ATOM 1036 CB ARG A 112 0.189 -5.379 7.664 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.197 -6.360 8.761 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.219 -5.764 9.718 1.00 0.00 C ATOM 1039 NE ARG A 112 -2.415 -6.601 9.826 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.449 -7.796 10.404 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.374 -8.295 10.980 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -3.568 -8.492 10.406 1.00 0.00 N ATOM 0 H ARG A 112 -0.781 -3.062 7.343 1.00 0.00 H new ATOM 0 HA ARG A 112 1.077 -4.233 9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.702 -5.117 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.877 -5.870 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.605 -7.266 8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.694 -6.653 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.768 -5.645 10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.502 -4.769 9.375 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.283 -6.241 9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.504 -7.762 10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.412 -9.214 11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.405 -8.113 9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.597 -9.410 10.849 1.00 0.00 H new ATOM 1056 N VAL A 113 2.223 -4.147 6.173 1.00 0.00 N ATOM 1057 CA VAL A 113 3.425 -3.936 5.360 1.00 0.00 C ATOM 1058 C VAL A 113 4.503 -4.977 5.700 1.00 0.00 C ATOM 1059 O VAL A 113 4.355 -5.750 6.648 1.00 0.00 O ATOM 1060 CB VAL A 113 3.962 -2.488 5.527 1.00 0.00 C ATOM 1061 CG1 VAL A 113 5.164 -2.412 6.449 1.00 0.00 C ATOM 1062 CG2 VAL A 113 4.301 -1.869 4.186 1.00 0.00 C ATOM 0 H VAL A 113 1.449 -4.574 5.665 1.00 0.00 H new ATOM 0 HA VAL A 113 3.155 -4.067 4.312 1.00 0.00 H new ATOM 0 HB VAL A 113 3.156 -1.919 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.497 -1.377 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.889 -2.782 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.972 -3.023 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.674 -0.856 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.066 -2.468 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.407 -1.837 3.563 1.00 0.00 H new ATOM 1072 N ASN A 114 5.580 -5.008 4.916 1.00 0.00 N ATOM 1073 CA ASN A 114 6.664 -5.973 5.139 1.00 0.00 C ATOM 1074 C ASN A 114 7.958 -5.277 5.568 1.00 0.00 C ATOM 1075 O ASN A 114 9.051 -5.649 5.137 1.00 0.00 O ATOM 1076 CB ASN A 114 6.908 -6.799 3.871 1.00 0.00 C ATOM 1077 CG ASN A 114 7.081 -8.276 4.156 1.00 0.00 C ATOM 1078 OD1 ASN A 114 7.216 -8.686 5.305 1.00 0.00 O ATOM 1079 ND2 ASN A 114 7.083 -9.085 3.109 1.00 0.00 N ATOM 0 H ASN A 114 5.728 -4.382 4.125 1.00 0.00 H new ATOM 0 HA ASN A 114 6.356 -6.636 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.071 -6.661 3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.798 -6.425 3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.200 -10.090 3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.968 -8.704 2.170 1.00 0.00 H new ATOM 1086 N TYR A 115 7.830 -4.272 6.430 1.00 0.00 N ATOM 1087 CA TYR A 115 8.990 -3.534 6.917 1.00 0.00 C ATOM 1088 C TYR A 115 9.858 -4.417 7.810 1.00 0.00 C ATOM 1089 O TYR A 115 11.079 -4.467 7.650 1.00 0.00 O ATOM 1090 CB TYR A 115 8.548 -2.279 7.677 1.00 0.00 C ATOM 1091 CG TYR A 115 8.701 -1.007 6.876 1.00 0.00 C ATOM 1092 CD1 TYR A 115 8.271 -0.939 5.557 1.00 0.00 C ATOM 1093 CD2 TYR A 115 9.279 0.124 7.437 1.00 0.00 C ATOM 1094 CE1 TYR A 115 8.413 0.219 4.819 1.00 0.00 C ATOM 1095 CE2 TYR A 115 9.422 1.287 6.705 1.00 0.00 C ATOM 1096 CZ TYR A 115 8.989 1.326 5.398 1.00 0.00 C ATOM 1097 OH TYR A 115 9.138 2.480 4.668 1.00 0.00 O ATOM 0 H TYR A 115 6.937 -3.951 6.804 1.00 0.00 H new ATOM 0 HA TYR A 115 9.584 -3.228 6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.505 -2.391 7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 115 9.131 -2.194 8.594 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.818 -1.807 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 115 9.622 0.094 8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.074 0.256 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.871 2.160 7.155 1.00 0.00 H new ATOM 0 HH TYR A 115 9.561 3.167 5.225 1.00 0.00 H new ATOM 1107 N SER A 116 9.209 -5.119 8.745 1.00 0.00 N ATOM 1108 CA SER A 116 9.899 -6.020 9.680 1.00 0.00 C ATOM 1109 C SER A 116 10.915 -6.925 8.967 1.00 0.00 C ATOM 1110 O SER A 116 11.928 -7.299 9.555 1.00 0.00 O ATOM 1111 CB SER A 116 8.869 -6.874 10.439 1.00 0.00 C ATOM 1112 OG SER A 116 9.416 -8.116 10.862 1.00 0.00 O ATOM 0 H SER A 116 8.198 -5.081 8.876 1.00 0.00 H new ATOM 0 HA SER A 116 10.454 -5.402 10.385 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.509 -6.322 11.307 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.007 -7.057 9.798 1.00 0.00 H new ATOM 0 HG SER A 116 8.732 -8.629 11.341 1.00 0.00 H new ATOM 1118 N HIS A 117 10.639 -7.272 7.709 1.00 0.00 N ATOM 1119 CA HIS A 117 11.536 -8.135 6.935 1.00 0.00 C ATOM 1120 C HIS A 117 12.045 -7.433 5.668 1.00 0.00 C ATOM 1121 O HIS A 117 12.254 -8.077 4.637 1.00 0.00 O ATOM 1122 CB HIS A 117 10.812 -9.437 6.560 1.00 0.00 C ATOM 1123 CG HIS A 117 10.047 -10.050 7.695 1.00 0.00 C ATOM 1124 ND1 HIS A 117 10.525 -11.098 8.445 1.00 0.00 N ATOM 1125 CD2 HIS A 117 8.834 -9.742 8.210 1.00 0.00 C ATOM 1126 CE1 HIS A 117 9.641 -11.411 9.377 1.00 0.00 C ATOM 1127 NE2 HIS A 117 8.604 -10.601 9.257 1.00 0.00 N ATOM 0 H HIS A 117 9.805 -6.971 7.205 1.00 0.00 H new ATOM 0 HA HIS A 117 12.401 -8.363 7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.126 -9.237 5.737 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.544 -10.158 6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.170 -8.965 7.862 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.748 -12.195 10.112 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.770 -10.612 9.845 1.00 0.00 H new ATOM 1136 N CYS A 118 12.246 -6.113 5.743 1.00 0.00 N ATOM 1137 CA CYS A 118 12.728 -5.347 4.589 1.00 0.00 C ATOM 1138 C CYS A 118 14.129 -4.754 4.843 1.00 0.00 C ATOM 1139 O CYS A 118 15.095 -5.504 4.989 1.00 0.00 O ATOM 1140 CB CYS A 118 11.706 -4.260 4.218 1.00 0.00 C ATOM 1141 SG CYS A 118 12.075 -3.380 2.661 1.00 0.00 S ATOM 0 H CYS A 118 12.084 -5.557 6.583 1.00 0.00 H new ATOM 0 HA CYS A 118 12.829 -6.026 3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.720 -4.717 4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.656 -3.533 5.029 1.00 0.00 H new ATOM 1146 N GLU A 119 14.249 -3.422 4.877 1.00 0.00 N ATOM 1147 CA GLU A 119 15.541 -2.767 5.091 1.00 0.00 C ATOM 1148 C GLU A 119 15.390 -1.248 5.018 1.00 0.00 C ATOM 1149 O GLU A 119 14.528 -0.747 4.294 1.00 0.00 O ATOM 1150 CB GLU A 119 16.548 -3.230 4.029 1.00 0.00 C ATOM 1151 CG GLU A 119 17.848 -3.778 4.602 1.00 0.00 C ATOM 1152 CD GLU A 119 19.070 -3.056 4.070 1.00 0.00 C ATOM 1153 OE1 GLU A 119 19.469 -2.041 4.678 1.00 0.00 O ATOM 1154 OE2 GLU A 119 19.626 -3.508 3.049 1.00 0.00 O ATOM 0 H GLU A 119 13.467 -2.778 4.759 1.00 0.00 H new ATOM 0 HA GLU A 119 15.905 -3.041 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.082 -3.999 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.778 -2.391 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.826 -3.694 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.926 -4.839 4.366 1.00 0.00 H new ATOM 1161 N PRO A 120 16.227 -0.487 5.749 1.00 0.00 N ATOM 1162 CA PRO A 120 16.172 0.981 5.735 1.00 0.00 C ATOM 1163 C PRO A 120 16.259 1.543 4.326 1.00 0.00 C ATOM 1164 O PRO A 120 17.113 1.133 3.542 1.00 0.00 O ATOM 1165 CB PRO A 120 17.393 1.412 6.544 1.00 0.00 C ATOM 1166 CG PRO A 120 18.244 0.191 6.653 1.00 0.00 C ATOM 1167 CD PRO A 120 17.298 -0.973 6.632 1.00 0.00 C ATOM 0 HA PRO A 120 15.230 1.347 6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.928 2.221 6.047 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.103 1.779 7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.952 0.134 5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.828 0.203 7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.770 -1.874 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.927 -1.214 7.628 1.00 0.00 H new ATOM 1175 N ILE A 121 15.368 2.474 4.019 1.00 0.00 N ATOM 1176 CA ILE A 121 15.323 3.104 2.696 1.00 0.00 C ATOM 1177 C ILE A 121 14.045 3.931 2.518 1.00 0.00 C ATOM 1178 O ILE A 121 14.121 4.988 1.861 1.00 0.00 O ATOM 1179 CB ILE A 121 15.427 2.049 1.560 1.00 0.00 C ATOM 1180 CG1 ILE A 121 15.163 2.677 0.191 1.00 0.00 C ATOM 1181 CG2 ILE A 121 14.466 0.893 1.801 1.00 0.00 C ATOM 1182 CD1 ILE A 121 16.356 3.410 -0.374 1.00 0.00 C ATOM 0 H ILE A 121 14.660 2.816 4.669 1.00 0.00 H new ATOM 0 HA ILE A 121 16.184 3.769 2.631 1.00 0.00 H new ATOM 0 HB ILE A 121 16.446 1.662 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 121 14.863 1.895 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 121 14.326 3.370 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.558 0.168 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 121 14.707 0.411 2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 121 13.444 1.271 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 121 16.098 3.830 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 121 16.644 4.214 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.189 2.716 -0.488 1.00 0.00 H new TER 1194 ILE A 121