USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 791 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 84 HIS : no HD1:sc= 0.0718 K(o=-0.33,f=-8.1!) USER MOD Set 1.2: A 86 THR OG1 : rot -84:sc= -0.401 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= -6.46! C(o=-7.4!,f=-9.1!) USER MOD Set 3.2: A 24 ASN : amide:sc= -0.965! K(o=-7.4!,f=-9.1) USER MOD Set 4.1: A 2 GLN :FLIP amide:sc= -2.37! C(o=-7.9!,f=-6!) USER MOD Set 4.2: A 31 HIS :FLIP no HD1:sc= -3.67! C(o=-6.5!,f=-6!) USER MOD Single : A 1 ILE N :NH3+ 167:sc= -0.363 (180deg=-0.716) USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.655 USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0486 (180deg=-0.274) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -85:sc= 1.25 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.153 F(o=-0.78,f=-0.15) USER MOD Single : A 17 ASN : amide:sc= -2.59! C(o=-2.6!,f=-6.2!) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.0745 (180deg=-0.51) USER MOD Single : A 21 ASN : amide:sc= 1.2 K(o=1.2,f=-0.47) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 150:sc= -0.0702 USER MOD Single : A 33 SER OG : rot 64:sc= 1.25 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.84) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.0154 F(o=-0.7,f=-0.015) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 55 SER OG : rot 110:sc= -1.3 USER MOD Single : A 57 SER OG : rot 137:sc= 0.562 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc=-0.00367 (180deg=-0.145) USER MOD Single : A 61 SER OG : rot 120:sc= -0.403 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 54:sc= 1.12 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.391 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.6) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00287 USER MOD Single : A 89 GLN : amide:sc=-0.000794 K(o=-0.00079,f=-0.76) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0644 (180deg=-0.378) USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= 0.298 (180deg=-2.85!) USER MOD Single : A 99 MET CE :methyl -158:sc= -0.25 (180deg=-0.945) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -23.318 -8.358 -3.416 1.00 0.00 N ATOM 2 CA ILE A 1 -22.198 -8.041 -4.330 1.00 0.00 C ATOM 3 C ILE A 1 -21.175 -7.142 -3.650 1.00 0.00 C ATOM 4 O ILE A 1 -21.297 -6.835 -2.463 1.00 0.00 O ATOM 5 CB ILE A 1 -22.689 -7.384 -5.646 1.00 0.00 C ATOM 6 CG1 ILE A 1 -23.770 -6.318 -5.387 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.207 -8.449 -6.599 1.00 0.00 C ATOM 8 CD1 ILE A 1 -23.250 -5.014 -4.814 1.00 0.00 C ATOM 0 H1 ILE A 1 -24.099 -8.780 -3.957 1.00 0.00 H new ATOM 0 H2 ILE A 1 -22.995 -9.031 -2.692 1.00 0.00 H new ATOM 0 H3 ILE A 1 -23.648 -7.486 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.723 -8.988 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 1 -21.839 -6.878 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -24.285 -6.107 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -24.511 -6.730 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -23.549 -7.977 -7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -22.407 -9.153 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -24.037 -8.981 -6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -24.081 -4.325 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -22.762 -5.206 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -22.533 -4.573 -5.506 1.00 0.00 H new ATOM 19 N GLN A 2 -20.192 -6.700 -4.424 1.00 0.00 N ATOM 20 CA GLN A 2 -19.087 -5.908 -3.902 1.00 0.00 C ATOM 21 C GLN A 2 -18.142 -5.550 -5.050 1.00 0.00 C ATOM 22 O GLN A 2 -18.376 -5.951 -6.189 1.00 0.00 O ATOM 23 CB GLN A 2 -18.335 -6.692 -2.812 1.00 0.00 C ATOM 24 CG GLN A 2 -17.675 -5.811 -1.758 1.00 0.00 C ATOM 25 CD GLN A 2 -18.683 -5.200 -0.804 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.238 -4.057 -1.171 1.00 0.00 O flip ATOM 27 NE2 GLN A 2 -18.977 -5.764 0.248 1.00 0.00 N flip ATOM 0 H GLN A 2 -20.139 -6.880 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.475 -4.993 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -19.033 -7.369 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.571 -7.309 -3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.955 -6.403 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.116 -5.015 -2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.527 -6.645 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.671 -5.351 0.872 1.00 0.00 H new ATOM 36 N ARG A 3 -17.091 -4.798 -4.752 1.00 0.00 N ATOM 37 CA ARG A 3 -16.128 -4.371 -5.770 1.00 0.00 C ATOM 38 C ARG A 3 -14.705 -4.714 -5.346 1.00 0.00 C ATOM 39 O ARG A 3 -14.350 -4.564 -4.176 1.00 0.00 O ATOM 40 CB ARG A 3 -16.280 -2.868 -6.046 1.00 0.00 C ATOM 41 CG ARG A 3 -15.083 -2.222 -6.750 1.00 0.00 C ATOM 42 CD ARG A 3 -15.493 -0.986 -7.546 1.00 0.00 C ATOM 43 NE ARG A 3 -16.423 -0.125 -6.810 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.280 1.193 -6.680 1.00 0.00 C ATOM 45 NH1 ARG A 3 -15.227 1.806 -7.208 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.193 1.901 -6.027 1.00 0.00 N ATOM 0 H ARG A 3 -16.879 -4.468 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.335 -4.910 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.170 -2.713 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.448 -2.354 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.332 -1.945 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.619 -2.948 -7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.602 -0.414 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.956 -1.298 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.232 -0.563 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.525 1.268 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.121 2.815 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.006 1.436 -5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.081 2.910 -5.929 1.00 0.00 H new ATOM 60 N THR A 4 -13.901 -5.181 -6.300 1.00 0.00 N ATOM 61 CA THR A 4 -12.554 -5.648 -6.007 1.00 0.00 C ATOM 62 C THR A 4 -11.590 -4.471 -5.834 1.00 0.00 C ATOM 63 O THR A 4 -11.378 -3.694 -6.772 1.00 0.00 O ATOM 64 CB THR A 4 -12.023 -6.593 -7.119 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.820 -5.869 -8.340 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.992 -7.729 -7.394 1.00 0.00 C ATOM 0 H THR A 4 -14.163 -5.245 -7.284 1.00 0.00 H new ATOM 0 HA THR A 4 -12.607 -6.207 -5.073 1.00 0.00 H new ATOM 0 HB THR A 4 -11.079 -7.004 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.538 -4.953 -8.134 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.588 -8.370 -8.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.135 -8.313 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.949 -7.320 -7.717 1.00 0.00 H new ATOM 74 N PRO A 5 -11.003 -4.312 -4.633 1.00 0.00 N ATOM 75 CA PRO A 5 -10.039 -3.251 -4.373 1.00 0.00 C ATOM 76 C PRO A 5 -8.731 -3.506 -5.102 1.00 0.00 C ATOM 77 O PRO A 5 -8.193 -4.616 -5.079 1.00 0.00 O ATOM 78 CB PRO A 5 -9.829 -3.275 -2.851 1.00 0.00 C ATOM 79 CG PRO A 5 -10.826 -4.249 -2.308 1.00 0.00 C ATOM 80 CD PRO A 5 -11.228 -5.144 -3.450 1.00 0.00 C ATOM 0 HA PRO A 5 -10.396 -2.283 -4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.812 -3.580 -2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.979 -2.284 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.394 -4.831 -1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.693 -3.728 -1.901 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.627 -6.053 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.270 -5.454 -3.370 1.00 0.00 H new ATOM 88 N LYS A 6 -8.224 -2.478 -5.754 1.00 0.00 N ATOM 89 CA LYS A 6 -7.043 -2.622 -6.579 1.00 0.00 C ATOM 90 C LYS A 6 -5.834 -2.029 -5.868 1.00 0.00 C ATOM 91 O LYS A 6 -5.970 -1.123 -5.044 1.00 0.00 O ATOM 92 CB LYS A 6 -7.274 -1.935 -7.930 1.00 0.00 C ATOM 93 CG LYS A 6 -6.163 -2.152 -8.944 1.00 0.00 C ATOM 94 CD LYS A 6 -6.459 -1.450 -10.261 1.00 0.00 C ATOM 95 CE LYS A 6 -6.463 0.062 -10.105 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.128 0.575 -9.700 1.00 0.00 N ATOM 0 H LYS A 6 -8.612 -1.535 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.848 -3.680 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.211 -2.298 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.393 -0.864 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.222 -1.782 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.035 -3.220 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.713 -1.737 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.427 -1.779 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.761 0.524 -11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.205 0.349 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.098 1.606 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.958 0.348 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.393 0.130 -10.286 1.00 0.00 H new ATOM 110 N ILE A 7 -4.658 -2.532 -6.202 1.00 0.00 N ATOM 111 CA ILE A 7 -3.450 -2.176 -5.481 1.00 0.00 C ATOM 112 C ILE A 7 -2.606 -1.190 -6.275 1.00 0.00 C ATOM 113 O ILE A 7 -2.343 -1.401 -7.459 1.00 0.00 O ATOM 114 CB ILE A 7 -2.557 -3.405 -5.208 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.377 -4.697 -5.125 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.757 -3.197 -3.928 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.342 -4.753 -3.970 1.00 0.00 C ATOM 0 H ILE A 7 -4.515 -3.189 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.786 -1.737 -4.542 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.869 -3.510 -6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.935 -4.818 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.693 -5.542 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.130 -4.070 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.127 -2.314 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.440 -3.059 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.879 -5.701 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.793 -4.667 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.054 -3.932 -4.051 1.00 0.00 H new ATOM 129 N GLN A 8 -2.199 -0.115 -5.628 1.00 0.00 N ATOM 130 CA GLN A 8 -1.113 0.703 -6.139 1.00 0.00 C ATOM 131 C GLN A 8 -0.023 0.774 -5.100 1.00 0.00 C ATOM 132 O GLN A 8 -0.286 0.988 -3.914 1.00 0.00 O ATOM 133 CB GLN A 8 -1.554 2.118 -6.521 1.00 0.00 C ATOM 134 CG GLN A 8 -0.474 3.161 -6.376 1.00 0.00 C ATOM 135 CD GLN A 8 -0.755 4.136 -5.253 1.00 0.00 C ATOM 136 OE1 GLN A 8 -1.444 5.138 -5.450 1.00 0.00 O ATOM 137 NE2 GLN A 8 -0.200 3.876 -4.079 1.00 0.00 N ATOM 0 H GLN A 8 -2.602 0.213 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.752 0.231 -7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.902 2.112 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.404 2.402 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.481 2.668 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.375 3.710 -7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.364 3.035 -3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.337 4.517 -3.297 1.00 0.00 H new ATOM 146 N VAL A 9 1.195 0.595 -5.550 1.00 0.00 N ATOM 147 CA VAL A 9 2.349 0.678 -4.687 1.00 0.00 C ATOM 148 C VAL A 9 3.425 1.464 -5.405 1.00 0.00 C ATOM 149 O VAL A 9 3.852 1.079 -6.493 1.00 0.00 O ATOM 150 CB VAL A 9 2.922 -0.711 -4.330 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.827 -0.621 -3.110 1.00 0.00 C ATOM 152 CG2 VAL A 9 1.821 -1.733 -4.114 1.00 0.00 C ATOM 0 H VAL A 9 1.415 0.388 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 9 2.038 1.160 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 9 3.518 -1.050 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.220 -1.610 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.654 0.058 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.256 -0.246 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.264 -2.697 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.177 -1.407 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.230 -1.829 -5.025 1.00 0.00 H new ATOM 162 N TYR A 10 3.848 2.564 -4.819 1.00 0.00 N ATOM 163 CA TYR A 10 4.893 3.369 -5.415 1.00 0.00 C ATOM 164 C TYR A 10 5.489 4.290 -4.364 1.00 0.00 C ATOM 165 O TYR A 10 4.934 4.449 -3.275 1.00 0.00 O ATOM 166 CB TYR A 10 4.377 4.162 -6.639 1.00 0.00 C ATOM 167 CG TYR A 10 3.415 5.293 -6.338 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.883 6.526 -5.897 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.045 5.143 -6.515 1.00 0.00 C ATOM 170 CE1 TYR A 10 3.021 7.571 -5.639 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.178 6.187 -6.256 1.00 0.00 C ATOM 172 CZ TYR A 10 1.669 7.398 -5.816 1.00 0.00 C ATOM 173 OH TYR A 10 0.809 8.444 -5.557 1.00 0.00 O ATOM 0 H TYR A 10 3.486 2.920 -3.934 1.00 0.00 H new ATOM 0 HA TYR A 10 5.675 2.705 -5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.236 4.573 -7.169 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.887 3.465 -7.318 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.944 6.668 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.653 4.198 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.406 8.521 -5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.116 6.055 -6.398 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.113 8.161 -5.732 1.00 0.00 H new ATOM 183 N SER A 11 6.623 4.873 -4.688 1.00 0.00 N ATOM 184 CA SER A 11 7.312 5.754 -3.771 1.00 0.00 C ATOM 185 C SER A 11 6.757 7.160 -3.917 1.00 0.00 C ATOM 186 O SER A 11 6.630 7.676 -5.028 1.00 0.00 O ATOM 187 CB SER A 11 8.812 5.728 -4.057 1.00 0.00 C ATOM 188 OG SER A 11 9.531 6.547 -3.150 1.00 0.00 O ATOM 0 H SER A 11 7.090 4.751 -5.587 1.00 0.00 H new ATOM 0 HA SER A 11 7.155 5.419 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.178 4.703 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.994 6.067 -5.077 1.00 0.00 H new ATOM 0 HG SER A 11 9.536 7.471 -3.477 1.00 0.00 H new ATOM 194 N ARG A 12 6.423 7.769 -2.779 1.00 0.00 N ATOM 195 CA ARG A 12 5.754 9.078 -2.767 1.00 0.00 C ATOM 196 C ARG A 12 6.621 10.122 -3.474 1.00 0.00 C ATOM 197 O ARG A 12 6.112 11.011 -4.152 1.00 0.00 O ATOM 198 CB ARG A 12 5.435 9.506 -1.307 1.00 0.00 C ATOM 199 CG ARG A 12 4.604 10.787 -1.150 1.00 0.00 C ATOM 200 CD ARG A 12 5.464 12.039 -1.243 1.00 0.00 C ATOM 201 NE ARG A 12 6.344 12.192 -0.085 1.00 0.00 N ATOM 202 CZ ARG A 12 5.953 12.691 1.087 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.698 13.091 1.259 1.00 0.00 N ATOM 204 NH2 ARG A 12 6.824 12.799 2.081 1.00 0.00 N ATOM 0 H ARG A 12 6.603 7.381 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 12 4.811 9.000 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.904 8.690 -0.817 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.376 9.639 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.835 10.817 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.090 10.770 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.065 11.998 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.820 12.915 -1.326 1.00 0.00 H new ATOM 0 HE ARG A 12 7.316 11.899 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.029 13.017 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.403 13.472 2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.790 12.501 1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.528 13.181 2.979 1.00 0.00 H new ATOM 218 N HIS A 13 7.924 9.993 -3.312 1.00 0.00 N ATOM 219 CA HIS A 13 8.885 10.851 -3.998 1.00 0.00 C ATOM 220 C HIS A 13 9.919 9.975 -4.719 1.00 0.00 C ATOM 221 O HIS A 13 9.833 8.753 -4.601 1.00 0.00 O ATOM 222 CB HIS A 13 9.554 11.804 -2.996 1.00 0.00 C ATOM 223 CG HIS A 13 8.757 13.048 -2.726 1.00 0.00 C ATOM 224 ND1 HIS A 13 7.733 13.596 -3.432 1.00 0.00 N flip ATOM 225 CD2 HIS A 13 9.012 13.834 -1.627 1.00 0.00 C flip ATOM 226 CE1 HIS A 13 7.354 14.729 -2.764 1.00 0.00 C flip ATOM 227 NE2 HIS A 13 8.147 14.835 -1.689 1.00 0.00 N flip ATOM 0 H HIS A 13 8.350 9.294 -2.704 1.00 0.00 H new ATOM 0 HA HIS A 13 8.372 11.463 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.716 11.275 -2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.536 12.087 -3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.763 13.669 -0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.565 15.409 -3.049 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.092 15.590 -1.006 1.00 0.00 H new ATOM 235 N PRO A 14 10.893 10.542 -5.480 1.00 0.00 N ATOM 236 CA PRO A 14 11.892 9.729 -6.192 1.00 0.00 C ATOM 237 C PRO A 14 12.564 8.706 -5.278 1.00 0.00 C ATOM 238 O PRO A 14 12.968 9.030 -4.163 1.00 0.00 O ATOM 239 CB PRO A 14 12.926 10.746 -6.704 1.00 0.00 C ATOM 240 CG PRO A 14 12.582 12.057 -6.043 1.00 0.00 C ATOM 241 CD PRO A 14 11.108 11.983 -5.721 1.00 0.00 C ATOM 0 HA PRO A 14 11.430 9.149 -6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.939 10.434 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.883 10.833 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.172 12.206 -5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.796 12.896 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.856 12.581 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.496 12.350 -6.545 1.00 0.00 H new ATOM 249 N ALA A 15 12.675 7.476 -5.755 1.00 0.00 N ATOM 250 CA ALA A 15 13.227 6.393 -4.967 1.00 0.00 C ATOM 251 C ALA A 15 14.739 6.344 -5.120 1.00 0.00 C ATOM 252 O ALA A 15 15.259 6.367 -6.236 1.00 0.00 O ATOM 253 CB ALA A 15 12.609 5.071 -5.392 1.00 0.00 C ATOM 0 H ALA A 15 12.386 7.205 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 15 12.992 6.568 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.031 4.263 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.530 5.109 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.823 4.892 -6.446 1.00 0.00 H new ATOM 259 N GLU A 16 15.444 6.284 -4.006 1.00 0.00 N ATOM 260 CA GLU A 16 16.893 6.246 -4.025 1.00 0.00 C ATOM 261 C GLU A 16 17.414 5.118 -3.136 1.00 0.00 C ATOM 262 O GLU A 16 17.075 5.033 -1.958 1.00 0.00 O ATOM 263 CB GLU A 16 17.447 7.597 -3.568 1.00 0.00 C ATOM 264 CG GLU A 16 18.964 7.694 -3.621 1.00 0.00 C ATOM 265 CD GLU A 16 19.524 7.430 -4.999 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.363 8.294 -5.884 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.144 6.367 -5.191 1.00 0.00 O ATOM 0 H GLU A 16 15.034 6.260 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 16 17.231 6.051 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.021 8.383 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.117 7.787 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.271 8.688 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.393 6.981 -2.918 1.00 0.00 H new ATOM 274 N ASN A 17 18.228 4.252 -3.718 1.00 0.00 N ATOM 275 CA ASN A 17 18.791 3.113 -2.996 1.00 0.00 C ATOM 276 C ASN A 17 19.946 3.566 -2.106 1.00 0.00 C ATOM 277 O ASN A 17 20.899 4.203 -2.567 1.00 0.00 O ATOM 278 CB ASN A 17 19.209 2.010 -3.992 1.00 0.00 C ATOM 279 CG ASN A 17 20.358 1.118 -3.531 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.535 0.847 -2.344 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.137 0.632 -4.488 1.00 0.00 N ATOM 0 H ASN A 17 18.517 4.314 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 17 18.033 2.686 -2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.343 1.381 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.492 2.481 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.912 0.013 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.961 0.878 -5.462 1.00 0.00 H new ATOM 288 N GLY A 18 19.833 3.235 -0.827 1.00 0.00 N ATOM 289 CA GLY A 18 20.789 3.684 0.166 1.00 0.00 C ATOM 290 C GLY A 18 20.391 5.030 0.723 1.00 0.00 C ATOM 291 O GLY A 18 21.221 5.772 1.248 1.00 0.00 O ATOM 0 H GLY A 18 19.082 2.653 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.851 2.955 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.781 3.749 -0.281 1.00 0.00 H new ATOM 295 N LYS A 19 19.108 5.335 0.600 1.00 0.00 N ATOM 296 CA LYS A 19 18.575 6.632 0.967 1.00 0.00 C ATOM 297 C LYS A 19 17.217 6.456 1.625 1.00 0.00 C ATOM 298 O LYS A 19 16.528 5.467 1.385 1.00 0.00 O ATOM 299 CB LYS A 19 18.433 7.466 -0.301 1.00 0.00 C ATOM 300 CG LYS A 19 18.494 8.967 -0.098 1.00 0.00 C ATOM 301 CD LYS A 19 19.851 9.410 0.427 1.00 0.00 C ATOM 302 CE LYS A 19 20.036 10.916 0.302 1.00 0.00 C ATOM 303 NZ LYS A 19 20.059 11.344 -1.123 1.00 0.00 N ATOM 0 H LYS A 19 18.408 4.686 0.241 1.00 0.00 H new ATOM 0 HA LYS A 19 19.242 7.131 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.221 7.177 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.483 7.218 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.287 9.470 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.716 9.271 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.951 9.116 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.640 8.899 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.228 11.428 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.966 11.211 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.542 12.262 -1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.567 10.635 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.084 11.434 -1.474 1.00 0.00 H new ATOM 317 N SER A 20 16.849 7.403 2.459 1.00 0.00 N ATOM 318 CA SER A 20 15.569 7.363 3.134 1.00 0.00 C ATOM 319 C SER A 20 14.465 7.906 2.235 1.00 0.00 C ATOM 320 O SER A 20 14.613 8.962 1.615 1.00 0.00 O ATOM 321 CB SER A 20 15.647 8.170 4.418 1.00 0.00 C ATOM 322 OG SER A 20 16.617 7.629 5.304 1.00 0.00 O ATOM 0 H SER A 20 17.422 8.216 2.688 1.00 0.00 H new ATOM 0 HA SER A 20 15.330 6.327 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.899 9.205 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.672 8.181 4.904 1.00 0.00 H new ATOM 0 HG SER A 20 16.649 8.167 6.122 1.00 0.00 H new ATOM 328 N ASN A 21 13.357 7.191 2.199 1.00 0.00 N ATOM 329 CA ASN A 21 12.244 7.533 1.320 1.00 0.00 C ATOM 330 C ASN A 21 10.920 7.277 2.024 1.00 0.00 C ATOM 331 O ASN A 21 10.895 6.774 3.151 1.00 0.00 O ATOM 332 CB ASN A 21 12.295 6.720 0.008 1.00 0.00 C ATOM 333 CG ASN A 21 12.772 7.541 -1.173 1.00 0.00 C ATOM 334 OD1 ASN A 21 13.963 7.583 -1.475 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.839 8.188 -1.859 1.00 0.00 N ATOM 0 H ASN A 21 13.199 6.362 2.772 1.00 0.00 H new ATOM 0 HA ASN A 21 12.329 8.592 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.957 5.865 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.303 6.324 -0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.099 8.747 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.862 8.126 -1.574 1.00 0.00 H new ATOM 342 N PHE A 22 9.819 7.607 1.353 1.00 0.00 N ATOM 343 CA PHE A 22 8.491 7.413 1.911 1.00 0.00 C ATOM 344 C PHE A 22 7.658 6.551 0.969 1.00 0.00 C ATOM 345 O PHE A 22 7.508 6.878 -0.211 1.00 0.00 O ATOM 346 CB PHE A 22 7.782 8.755 2.126 1.00 0.00 C ATOM 347 CG PHE A 22 8.322 9.580 3.264 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.576 10.164 3.196 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.557 9.778 4.400 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.058 10.926 4.244 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.030 10.539 5.449 1.00 0.00 C ATOM 352 CZ PHE A 22 9.283 11.113 5.372 1.00 0.00 C ATOM 0 H PHE A 22 9.825 8.012 0.417 1.00 0.00 H new ATOM 0 HA PHE A 22 8.598 6.916 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.852 9.338 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.723 8.566 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.184 10.023 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.576 9.331 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.039 11.374 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.421 10.685 6.329 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.657 11.707 6.193 1.00 0.00 H new ATOM 362 N LEU A 23 7.121 5.461 1.492 1.00 0.00 N ATOM 363 CA LEU A 23 6.310 4.546 0.698 1.00 0.00 C ATOM 364 C LEU A 23 4.872 5.026 0.669 1.00 0.00 C ATOM 365 O LEU A 23 4.442 5.766 1.549 1.00 0.00 O ATOM 366 CB LEU A 23 6.353 3.149 1.312 1.00 0.00 C ATOM 367 CG LEU A 23 6.708 1.980 0.373 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.643 0.665 1.138 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.790 1.912 -0.842 1.00 0.00 C ATOM 0 H LEU A 23 7.232 5.185 2.468 1.00 0.00 H new ATOM 0 HA LEU A 23 6.708 4.514 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.077 3.160 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.378 2.944 1.754 1.00 0.00 H new ATOM 0 HG LEU A 23 7.721 2.153 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.895 -0.158 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.352 0.690 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.635 0.520 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.082 1.072 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.760 1.778 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.871 2.838 -1.412 1.00 0.00 H new ATOM 381 N ASN A 24 4.140 4.614 -0.340 1.00 0.00 N ATOM 382 CA ASN A 24 2.717 4.910 -0.411 1.00 0.00 C ATOM 383 C ASN A 24 1.956 3.731 -0.996 1.00 0.00 C ATOM 384 O ASN A 24 2.288 3.232 -2.074 1.00 0.00 O ATOM 385 CB ASN A 24 2.452 6.183 -1.223 1.00 0.00 C ATOM 386 CG ASN A 24 0.973 6.469 -1.412 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.346 5.996 -2.359 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.409 7.258 -0.515 1.00 0.00 N ATOM 0 H ASN A 24 4.501 4.073 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 24 2.360 5.084 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.919 7.031 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.926 6.089 -2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.580 7.494 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.963 7.631 0.256 1.00 0.00 H new ATOM 395 N CYS A 25 0.946 3.289 -0.272 1.00 0.00 N ATOM 396 CA CYS A 25 0.102 2.198 -0.712 1.00 0.00 C ATOM 397 C CYS A 25 -1.341 2.684 -0.754 1.00 0.00 C ATOM 398 O CYS A 25 -1.883 3.122 0.264 1.00 0.00 O ATOM 399 CB CYS A 25 0.258 1.016 0.242 1.00 0.00 C ATOM 400 SG CYS A 25 -0.147 -0.596 -0.492 1.00 0.00 S ATOM 0 H CYS A 25 0.689 3.676 0.636 1.00 0.00 H new ATOM 0 HA CYS A 25 0.392 1.868 -1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.286 0.989 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.381 1.178 1.110 1.00 0.00 H new ATOM 405 N TYR A 26 -1.953 2.629 -1.930 1.00 0.00 N ATOM 406 CA TYR A 26 -3.283 3.191 -2.120 1.00 0.00 C ATOM 407 C TYR A 26 -4.238 2.096 -2.529 1.00 0.00 C ATOM 408 O TYR A 26 -4.233 1.650 -3.679 1.00 0.00 O ATOM 409 CB TYR A 26 -3.269 4.273 -3.204 1.00 0.00 C ATOM 410 CG TYR A 26 -3.919 5.591 -2.820 1.00 0.00 C ATOM 411 CD1 TYR A 26 -5.152 5.977 -3.347 1.00 0.00 C ATOM 412 CD2 TYR A 26 -3.273 6.471 -1.966 1.00 0.00 C ATOM 413 CE1 TYR A 26 -5.714 7.201 -3.027 1.00 0.00 C ATOM 414 CE2 TYR A 26 -3.833 7.692 -1.634 1.00 0.00 C ATOM 415 CZ TYR A 26 -5.051 8.053 -2.171 1.00 0.00 C ATOM 416 OH TYR A 26 -5.603 9.277 -1.860 1.00 0.00 O ATOM 0 H TYR A 26 -1.551 2.202 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.604 3.640 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.234 4.467 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.773 3.883 -4.088 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.676 5.310 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.314 6.198 -1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.667 7.487 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.319 8.359 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.011 9.756 -1.243 1.00 0.00 H new ATOM 426 N VAL A 27 -5.035 1.643 -1.590 1.00 0.00 N ATOM 427 CA VAL A 27 -6.030 0.643 -1.897 1.00 0.00 C ATOM 428 C VAL A 27 -7.409 1.284 -1.880 1.00 0.00 C ATOM 429 O VAL A 27 -7.885 1.725 -0.835 1.00 0.00 O ATOM 430 CB VAL A 27 -5.992 -0.547 -0.917 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.554 -1.785 -1.590 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.579 -0.801 -0.404 1.00 0.00 C ATOM 0 H VAL A 27 -5.015 1.947 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.807 0.248 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.610 -0.302 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.525 -2.623 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.585 -1.599 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.957 -2.024 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.588 -1.646 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.922 -1.024 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.216 0.086 0.115 1.00 0.00 H new ATOM 442 N SER A 28 -8.026 1.377 -3.048 1.00 0.00 N ATOM 443 CA SER A 28 -9.339 1.985 -3.168 1.00 0.00 C ATOM 444 C SER A 28 -10.137 1.324 -4.286 1.00 0.00 C ATOM 445 O SER A 28 -9.566 0.669 -5.166 1.00 0.00 O ATOM 446 CB SER A 28 -9.215 3.490 -3.402 1.00 0.00 C ATOM 447 OG SER A 28 -8.613 4.123 -2.287 1.00 0.00 O ATOM 0 H SER A 28 -7.636 1.038 -3.927 1.00 0.00 H new ATOM 0 HA SER A 28 -9.877 1.831 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.621 3.676 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.202 3.918 -3.580 1.00 0.00 H new ATOM 0 HG SER A 28 -8.115 4.912 -2.588 1.00 0.00 H new ATOM 453 N GLY A 29 -11.452 1.505 -4.244 1.00 0.00 N ATOM 454 CA GLY A 29 -12.336 0.769 -5.119 1.00 0.00 C ATOM 455 C GLY A 29 -12.858 -0.441 -4.393 1.00 0.00 C ATOM 456 O GLY A 29 -12.340 -1.536 -4.568 1.00 0.00 O ATOM 0 H GLY A 29 -11.922 2.154 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.164 1.403 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.804 0.465 -6.021 1.00 0.00 H new ATOM 460 N PHE A 30 -13.918 -0.254 -3.606 1.00 0.00 N ATOM 461 CA PHE A 30 -14.266 -1.256 -2.601 1.00 0.00 C ATOM 462 C PHE A 30 -15.431 -0.787 -1.744 1.00 0.00 C ATOM 463 O PHE A 30 -15.937 0.320 -1.922 1.00 0.00 O ATOM 464 CB PHE A 30 -13.075 -1.691 -1.728 1.00 0.00 C ATOM 465 CG PHE A 30 -12.513 -0.678 -0.766 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.130 -0.414 0.451 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.310 -0.058 -1.044 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.553 0.443 1.364 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.741 0.815 -0.141 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.358 1.060 1.066 1.00 0.00 C ATOM 0 H PHE A 30 -14.534 0.558 -3.642 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.572 -2.144 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.380 -2.567 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.270 -2.008 -2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.073 -0.886 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.809 -0.259 -1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.037 0.630 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.810 1.307 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.906 1.735 1.778 1.00 0.00 H new ATOM 480 N HIS A 31 -15.850 -1.647 -0.826 1.00 0.00 N ATOM 481 CA HIS A 31 -16.836 -1.290 0.194 1.00 0.00 C ATOM 482 C HIS A 31 -16.750 -2.368 1.285 1.00 0.00 C ATOM 483 O HIS A 31 -16.426 -3.510 0.952 1.00 0.00 O ATOM 484 CB HIS A 31 -18.269 -1.179 -0.404 1.00 0.00 C ATOM 485 CG HIS A 31 -19.308 -0.703 0.561 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.611 0.562 0.943 1.00 0.00 N flip ATOM 487 CD2 HIS A 31 -20.146 -1.580 1.204 1.00 0.00 C flip ATOM 488 CE1 HIS A 31 -20.646 0.469 1.835 1.00 0.00 C flip ATOM 489 NE2 HIS A 31 -20.934 -0.835 1.959 1.00 0.00 N flip ATOM 0 H HIS A 31 -15.519 -2.610 -0.764 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.622 -0.306 0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.242 -0.498 -1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.566 -2.156 -0.786 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.159 -2.656 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -21.136 1.288 2.341 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.669 -1.205 2.561 1.00 0.00 H new ATOM 497 N PRO A 32 -16.995 -2.089 2.588 1.00 0.00 N ATOM 498 CA PRO A 32 -17.446 -0.792 3.128 1.00 0.00 C ATOM 499 C PRO A 32 -16.309 0.214 3.334 1.00 0.00 C ATOM 500 O PRO A 32 -15.302 0.174 2.637 1.00 0.00 O ATOM 501 CB PRO A 32 -18.029 -1.192 4.480 1.00 0.00 C ATOM 502 CG PRO A 32 -17.193 -2.341 4.918 1.00 0.00 C ATOM 503 CD PRO A 32 -16.819 -3.085 3.666 1.00 0.00 C ATOM 0 HA PRO A 32 -18.136 -0.290 2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.979 -0.369 5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.078 -1.474 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.304 -1.997 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -17.744 -2.985 5.604 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.792 -3.448 3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.458 -3.955 3.513 1.00 0.00 H new ATOM 511 N SER A 33 -16.504 1.123 4.287 1.00 0.00 N ATOM 512 CA SER A 33 -15.479 2.116 4.670 1.00 0.00 C ATOM 513 C SER A 33 -14.129 1.484 5.056 1.00 0.00 C ATOM 514 O SER A 33 -13.133 2.191 5.205 1.00 0.00 O ATOM 515 CB SER A 33 -15.981 2.957 5.855 1.00 0.00 C ATOM 516 OG SER A 33 -16.279 2.132 6.974 1.00 0.00 O ATOM 0 H SER A 33 -17.371 1.199 4.819 1.00 0.00 H new ATOM 0 HA SER A 33 -15.313 2.735 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.224 3.691 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.871 3.512 5.560 1.00 0.00 H new ATOM 0 HG SER A 33 -15.459 1.696 7.287 1.00 0.00 H new ATOM 522 N ASP A 34 -14.091 0.169 5.214 1.00 0.00 N ATOM 523 CA ASP A 34 -12.916 -0.481 5.777 1.00 0.00 C ATOM 524 C ASP A 34 -12.296 -1.497 4.834 1.00 0.00 C ATOM 525 O ASP A 34 -12.985 -2.338 4.251 1.00 0.00 O ATOM 526 CB ASP A 34 -13.267 -1.187 7.091 1.00 0.00 C ATOM 527 CG ASP A 34 -13.546 -0.232 8.230 1.00 0.00 C ATOM 528 OD1 ASP A 34 -14.558 0.497 8.171 1.00 0.00 O ATOM 529 OD2 ASP A 34 -12.772 -0.229 9.210 1.00 0.00 O ATOM 0 H ASP A 34 -14.851 -0.463 4.964 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.188 0.311 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.142 -1.818 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.445 -1.846 7.372 1.00 0.00 H new ATOM 534 N ILE A 35 -10.983 -1.408 4.711 1.00 0.00 N ATOM 535 CA ILE A 35 -10.173 -2.439 4.092 1.00 0.00 C ATOM 536 C ILE A 35 -8.902 -2.551 4.913 1.00 0.00 C ATOM 537 O ILE A 35 -8.514 -1.584 5.572 1.00 0.00 O ATOM 538 CB ILE A 35 -9.797 -2.146 2.615 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.305 -3.443 1.960 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.726 -1.065 2.530 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.379 -3.257 0.775 1.00 0.00 C ATOM 0 H ILE A 35 -10.444 -0.608 5.043 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.755 -3.361 4.074 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.677 -1.780 2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.790 -4.039 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.172 -4.019 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.480 -0.878 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.099 -0.147 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.832 -1.396 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.088 -4.232 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.893 -2.693 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.489 -2.712 1.091 1.00 0.00 H new ATOM 553 N GLU A 36 -8.257 -3.699 4.910 1.00 0.00 N ATOM 554 CA GLU A 36 -7.054 -3.870 5.698 1.00 0.00 C ATOM 555 C GLU A 36 -5.882 -4.174 4.781 1.00 0.00 C ATOM 556 O GLU A 36 -5.903 -5.151 4.022 1.00 0.00 O ATOM 557 CB GLU A 36 -7.233 -5.001 6.707 1.00 0.00 C ATOM 558 CG GLU A 36 -6.218 -4.973 7.845 1.00 0.00 C ATOM 559 CD GLU A 36 -6.211 -3.648 8.573 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.929 -3.513 9.586 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.488 -2.739 8.138 1.00 0.00 O ATOM 0 H GLU A 36 -8.542 -4.520 4.376 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.856 -2.947 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.238 -4.946 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.156 -5.956 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.444 -5.772 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.223 -5.172 7.447 1.00 0.00 H new ATOM 568 N VAL A 37 -4.868 -3.339 4.853 1.00 0.00 N ATOM 569 CA VAL A 37 -3.702 -3.481 3.999 1.00 0.00 C ATOM 570 C VAL A 37 -2.421 -3.321 4.812 1.00 0.00 C ATOM 571 O VAL A 37 -2.316 -2.462 5.685 1.00 0.00 O ATOM 572 CB VAL A 37 -3.736 -2.509 2.776 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.808 -1.458 2.962 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.380 -1.843 2.498 1.00 0.00 C ATOM 0 H VAL A 37 -4.825 -2.549 5.497 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.720 -4.489 3.585 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.972 -3.118 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.816 -0.790 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.780 -1.942 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.601 -0.883 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.470 -1.180 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.073 -1.266 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.634 -2.610 2.289 1.00 0.00 H new ATOM 584 N ASP A 38 -1.477 -4.181 4.512 1.00 0.00 N ATOM 585 CA ASP A 38 -0.204 -4.221 5.218 1.00 0.00 C ATOM 586 C ASP A 38 0.952 -4.149 4.236 1.00 0.00 C ATOM 587 O ASP A 38 0.819 -4.547 3.079 1.00 0.00 O ATOM 588 CB ASP A 38 -0.107 -5.478 6.092 1.00 0.00 C ATOM 589 CG ASP A 38 1.305 -5.792 6.503 1.00 0.00 C ATOM 590 OD1 ASP A 38 1.916 -4.947 7.192 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.796 -6.884 6.158 1.00 0.00 O ATOM 0 H ASP A 38 -1.563 -4.877 3.771 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.146 -3.352 5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.719 -5.343 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.520 -6.327 5.547 1.00 0.00 H new ATOM 596 N LEU A 39 2.073 -3.619 4.692 1.00 0.00 N ATOM 597 CA LEU A 39 3.243 -3.483 3.849 1.00 0.00 C ATOM 598 C LEU A 39 4.260 -4.558 4.210 1.00 0.00 C ATOM 599 O LEU A 39 4.495 -4.839 5.381 1.00 0.00 O ATOM 600 CB LEU A 39 3.872 -2.100 4.001 1.00 0.00 C ATOM 601 CG LEU A 39 2.915 -0.910 3.913 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.689 0.390 4.043 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.124 -0.921 2.617 1.00 0.00 C ATOM 0 H LEU A 39 2.196 -3.275 5.644 1.00 0.00 H new ATOM 0 HA LEU A 39 2.936 -3.603 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.382 -2.059 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.635 -1.984 3.231 1.00 0.00 H new ATOM 0 HG LEU A 39 2.204 -0.992 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.000 1.232 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.202 0.413 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.422 0.459 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.455 -0.060 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.810 -0.873 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.538 -1.838 2.556 1.00 0.00 H new ATOM 615 N LEU A 40 4.853 -5.145 3.196 1.00 0.00 N ATOM 616 CA LEU A 40 5.740 -6.280 3.361 1.00 0.00 C ATOM 617 C LEU A 40 7.175 -5.952 2.992 1.00 0.00 C ATOM 618 O LEU A 40 7.495 -4.853 2.548 1.00 0.00 O ATOM 619 CB LEU A 40 5.304 -7.454 2.496 1.00 0.00 C ATOM 620 CG LEU A 40 3.807 -7.738 2.424 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.557 -8.849 1.414 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.272 -8.122 3.794 1.00 0.00 C ATOM 0 H LEU A 40 4.735 -4.849 2.227 1.00 0.00 H new ATOM 0 HA LEU A 40 5.686 -6.540 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.666 -7.282 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.802 -8.351 2.864 1.00 0.00 H new ATOM 0 HG LEU A 40 3.282 -6.839 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.488 -9.056 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.918 -8.538 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.086 -9.750 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.203 -8.321 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.785 -9.016 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.444 -7.304 4.494 1.00 0.00 H new ATOM 634 N LYS A 41 8.004 -6.968 3.166 1.00 0.00 N ATOM 635 CA LYS A 41 9.414 -6.928 2.834 1.00 0.00 C ATOM 636 C LYS A 41 9.843 -8.302 2.385 1.00 0.00 C ATOM 637 O LYS A 41 10.078 -9.187 3.212 1.00 0.00 O ATOM 638 CB LYS A 41 10.255 -6.510 4.020 1.00 0.00 C ATOM 639 CG LYS A 41 9.776 -5.204 4.642 1.00 0.00 C ATOM 640 CD LYS A 41 10.669 -4.764 5.814 1.00 0.00 C ATOM 641 CE LYS A 41 10.427 -5.629 7.043 1.00 0.00 C ATOM 642 NZ LYS A 41 11.176 -5.140 8.231 1.00 0.00 N ATOM 0 H LYS A 41 7.705 -7.864 3.551 1.00 0.00 H new ATOM 0 HA LYS A 41 9.561 -6.194 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.232 -7.298 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.293 -6.400 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.764 -4.423 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.751 -5.323 4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.717 -4.829 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.469 -3.720 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.361 -5.645 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.723 -6.656 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.981 -5.759 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.196 -5.148 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.876 -4.170 8.455 1.00 0.00 H new ATOM 656 N ASN A 42 9.907 -8.475 1.079 1.00 0.00 N ATOM 657 CA ASN A 42 10.251 -9.758 0.446 1.00 0.00 C ATOM 658 C ASN A 42 9.173 -10.819 0.700 1.00 0.00 C ATOM 659 O ASN A 42 9.130 -11.849 0.022 1.00 0.00 O ATOM 660 CB ASN A 42 11.625 -10.261 0.929 1.00 0.00 C ATOM 661 CG ASN A 42 12.748 -9.286 0.616 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.367 -9.341 -0.451 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.021 -8.388 1.549 1.00 0.00 N ATOM 0 H ASN A 42 9.722 -7.728 0.410 1.00 0.00 H new ATOM 0 HA ASN A 42 10.304 -9.585 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.587 -10.433 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.841 -11.221 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.766 -7.708 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.486 -8.376 2.417 1.00 0.00 H new ATOM 670 N GLY A 43 8.313 -10.565 1.679 1.00 0.00 N ATOM 671 CA GLY A 43 7.231 -11.475 1.998 1.00 0.00 C ATOM 672 C GLY A 43 6.737 -11.308 3.415 1.00 0.00 C ATOM 673 O GLY A 43 5.697 -11.852 3.789 1.00 0.00 O ATOM 0 H GLY A 43 8.348 -9.731 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.405 -11.310 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.568 -12.501 1.852 1.00 0.00 H new ATOM 677 N GLU A 44 7.467 -10.535 4.198 1.00 0.00 N ATOM 678 CA GLU A 44 7.231 -10.441 5.620 1.00 0.00 C ATOM 679 C GLU A 44 6.694 -9.071 6.020 1.00 0.00 C ATOM 680 O GLU A 44 7.016 -8.070 5.392 1.00 0.00 O ATOM 681 CB GLU A 44 8.547 -10.731 6.291 1.00 0.00 C ATOM 682 CG GLU A 44 9.128 -12.034 5.805 1.00 0.00 C ATOM 683 CD GLU A 44 8.255 -13.223 6.165 1.00 0.00 C ATOM 684 OE1 GLU A 44 7.988 -14.063 5.283 1.00 0.00 O ATOM 685 OE2 GLU A 44 7.804 -13.304 7.330 1.00 0.00 O ATOM 0 H GLU A 44 8.238 -9.957 3.863 1.00 0.00 H new ATOM 0 HA GLU A 44 6.467 -11.155 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.247 -9.920 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.407 -10.772 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.254 -11.992 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.120 -12.170 6.236 1.00 0.00 H new ATOM 692 N ARG A 45 5.886 -9.048 7.071 1.00 0.00 N ATOM 693 CA ARG A 45 5.158 -7.845 7.473 1.00 0.00 C ATOM 694 C ARG A 45 6.082 -6.754 8.033 1.00 0.00 C ATOM 695 O ARG A 45 7.052 -7.044 8.734 1.00 0.00 O ATOM 696 CB ARG A 45 4.100 -8.214 8.526 1.00 0.00 C ATOM 697 CG ARG A 45 3.117 -7.089 8.818 1.00 0.00 C ATOM 698 CD ARG A 45 1.965 -7.506 9.726 1.00 0.00 C ATOM 699 NE ARG A 45 1.253 -6.332 10.216 1.00 0.00 N ATOM 700 CZ ARG A 45 0.418 -6.330 11.247 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.093 -7.465 11.853 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.115 -5.183 11.648 1.00 0.00 N ATOM 0 H ARG A 45 5.715 -9.857 7.669 1.00 0.00 H new ATOM 0 HA ARG A 45 4.683 -7.439 6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.548 -9.089 8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.602 -8.496 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.653 -6.261 9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.711 -6.719 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.279 -8.153 9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.348 -8.084 10.567 1.00 0.00 H new ATOM 0 HE ARG A 45 1.408 -5.448 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.486 -8.348 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.550 -7.454 12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.119 -4.316 11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.758 -5.169 12.439 1.00 0.00 H new ATOM 716 N ILE A 46 5.763 -5.500 7.712 1.00 0.00 N ATOM 717 CA ILE A 46 6.447 -4.341 8.272 1.00 0.00 C ATOM 718 C ILE A 46 5.651 -3.819 9.455 1.00 0.00 C ATOM 719 O ILE A 46 4.421 -3.763 9.408 1.00 0.00 O ATOM 720 CB ILE A 46 6.575 -3.190 7.250 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.322 -3.634 6.001 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.287 -1.996 7.883 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.331 -2.578 4.914 1.00 0.00 C ATOM 0 H ILE A 46 5.021 -5.262 7.054 1.00 0.00 H new ATOM 0 HA ILE A 46 7.446 -4.663 8.565 1.00 0.00 H new ATOM 0 HB ILE A 46 5.568 -2.896 6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.349 -3.883 6.267 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.863 -4.544 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.370 -1.192 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.716 -1.646 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.283 -2.296 8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.878 -2.952 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.306 -2.346 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.815 -1.676 5.287 1.00 0.00 H new ATOM 735 N GLU A 47 6.334 -3.431 10.514 1.00 0.00 N ATOM 736 CA GLU A 47 5.657 -2.963 11.713 1.00 0.00 C ATOM 737 C GLU A 47 5.594 -1.432 11.802 1.00 0.00 C ATOM 738 O GLU A 47 4.613 -0.892 12.302 1.00 0.00 O ATOM 739 CB GLU A 47 6.307 -3.553 12.977 1.00 0.00 C ATOM 740 CG GLU A 47 7.831 -3.538 13.000 1.00 0.00 C ATOM 741 CD GLU A 47 8.479 -4.527 12.057 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.555 -5.721 12.401 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.935 -4.099 10.976 1.00 0.00 O ATOM 0 H GLU A 47 7.352 -3.429 10.571 1.00 0.00 H new ATOM 0 HA GLU A 47 4.629 -3.318 11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.943 -3.001 13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.970 -4.583 13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.176 -2.535 12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.169 -3.747 14.015 1.00 0.00 H new ATOM 750 N LYS A 48 6.641 -0.737 11.348 1.00 0.00 N ATOM 751 CA LYS A 48 6.660 0.726 11.328 1.00 0.00 C ATOM 752 C LYS A 48 5.623 1.344 10.386 1.00 0.00 C ATOM 753 O LYS A 48 5.567 2.568 10.248 1.00 0.00 O ATOM 754 CB LYS A 48 8.047 1.189 10.923 1.00 0.00 C ATOM 755 CG LYS A 48 9.103 0.805 11.932 1.00 0.00 C ATOM 756 CD LYS A 48 9.435 1.973 12.840 1.00 0.00 C ATOM 757 CE LYS A 48 10.286 1.570 14.041 1.00 0.00 C ATOM 758 NZ LYS A 48 10.450 2.699 14.998 1.00 0.00 N ATOM 0 H LYS A 48 7.492 -1.169 10.987 1.00 0.00 H new ATOM 0 HA LYS A 48 6.401 1.062 12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.301 0.759 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.043 2.272 10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.752 -0.037 12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.003 0.475 11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.964 2.734 12.266 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.509 2.426 13.193 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.822 0.725 14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.266 1.237 13.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.033 2.391 15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.915 3.496 14.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.516 3.000 15.343 1.00 0.00 H new ATOM 772 N VAL A 49 4.832 0.513 9.727 1.00 0.00 N ATOM 773 CA VAL A 49 3.759 1.007 8.876 1.00 0.00 C ATOM 774 C VAL A 49 2.748 1.800 9.690 1.00 0.00 C ATOM 775 O VAL A 49 2.311 1.363 10.756 1.00 0.00 O ATOM 776 CB VAL A 49 3.017 -0.135 8.160 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.935 0.428 7.251 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.989 -0.991 7.374 1.00 0.00 C ATOM 0 H VAL A 49 4.911 -0.503 9.764 1.00 0.00 H new ATOM 0 HA VAL A 49 4.227 1.647 8.128 1.00 0.00 H new ATOM 0 HB VAL A 49 2.541 -0.766 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.418 -0.391 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.221 0.999 7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.389 1.080 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.446 -1.793 6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.495 -0.377 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.727 -1.420 8.052 1.00 0.00 H new ATOM 788 N GLU A 50 2.377 2.961 9.183 1.00 0.00 N ATOM 789 CA GLU A 50 1.394 3.787 9.842 1.00 0.00 C ATOM 790 C GLU A 50 0.355 4.252 8.837 1.00 0.00 C ATOM 791 O GLU A 50 0.666 4.532 7.677 1.00 0.00 O ATOM 792 CB GLU A 50 2.045 4.997 10.520 1.00 0.00 C ATOM 793 CG GLU A 50 3.124 4.633 11.526 1.00 0.00 C ATOM 794 CD GLU A 50 3.701 5.847 12.226 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.768 6.339 11.803 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.083 6.320 13.201 1.00 0.00 O ATOM 0 H GLU A 50 2.745 3.350 8.315 1.00 0.00 H new ATOM 0 HA GLU A 50 0.912 3.188 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.478 5.641 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.273 5.577 11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.708 3.953 12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.925 4.097 11.017 1.00 0.00 H new ATOM 803 N HIS A 51 -0.874 4.311 9.293 1.00 0.00 N ATOM 804 CA HIS A 51 -1.975 4.808 8.485 1.00 0.00 C ATOM 805 C HIS A 51 -2.415 6.172 8.988 1.00 0.00 C ATOM 806 O HIS A 51 -2.610 6.374 10.187 1.00 0.00 O ATOM 807 CB HIS A 51 -3.155 3.825 8.474 1.00 0.00 C ATOM 808 CG HIS A 51 -3.566 3.317 9.829 1.00 0.00 C ATOM 809 ND1 HIS A 51 -2.943 2.432 10.649 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -4.737 3.724 10.422 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -3.734 2.292 11.756 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -4.800 3.085 11.576 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.144 4.018 10.232 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.624 4.906 7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.012 4.313 8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.894 2.973 7.846 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.458 4.423 10.025 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.537 1.663 12.612 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.563 3.182 12.246 1.00 0.00 H new ATOM 820 N SER A 52 -2.522 7.116 8.069 1.00 0.00 N ATOM 821 CA SER A 52 -2.934 8.469 8.406 1.00 0.00 C ATOM 822 C SER A 52 -4.453 8.555 8.519 1.00 0.00 C ATOM 823 O SER A 52 -5.153 7.563 8.303 1.00 0.00 O ATOM 824 CB SER A 52 -2.414 9.447 7.337 1.00 0.00 C ATOM 825 OG SER A 52 -2.671 8.951 6.032 1.00 0.00 O ATOM 0 H SER A 52 -2.328 6.970 7.078 1.00 0.00 H new ATOM 0 HA SER A 52 -2.509 8.740 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.893 10.418 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.343 9.600 7.468 1.00 0.00 H new ATOM 0 HG SER A 52 -2.334 9.588 5.368 1.00 0.00 H new ATOM 831 N ASP A 53 -4.948 9.742 8.855 1.00 0.00 N ATOM 832 CA ASP A 53 -6.380 9.977 9.006 1.00 0.00 C ATOM 833 C ASP A 53 -7.139 9.494 7.773 1.00 0.00 C ATOM 834 O ASP A 53 -6.845 9.932 6.663 1.00 0.00 O ATOM 835 CB ASP A 53 -6.635 11.464 9.249 1.00 0.00 C ATOM 836 CG ASP A 53 -8.099 11.784 9.449 1.00 0.00 C ATOM 837 OD1 ASP A 53 -8.671 11.355 10.471 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.676 12.487 8.597 1.00 0.00 O ATOM 0 H ASP A 53 -4.371 10.565 9.030 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.742 9.411 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.075 11.785 10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.255 12.036 8.402 1.00 0.00 H new ATOM 843 N LEU A 54 -8.106 8.595 8.015 1.00 0.00 N ATOM 844 CA LEU A 54 -8.830 7.839 6.971 1.00 0.00 C ATOM 845 C LEU A 54 -8.963 8.614 5.654 1.00 0.00 C ATOM 846 O LEU A 54 -8.053 8.573 4.819 1.00 0.00 O ATOM 847 CB LEU A 54 -10.219 7.416 7.499 1.00 0.00 C ATOM 848 CG LEU A 54 -10.886 6.197 6.827 1.00 0.00 C ATOM 849 CD1 LEU A 54 -11.572 6.568 5.520 1.00 0.00 C ATOM 850 CD2 LEU A 54 -9.870 5.094 6.589 1.00 0.00 C ATOM 0 H LEU A 54 -8.415 8.366 8.960 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.238 6.952 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.126 7.206 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.892 8.267 7.399 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.653 5.835 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.027 5.679 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.344 7.313 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.837 6.977 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.360 4.244 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.077 5.464 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.443 4.781 7.542 1.00 0.00 H new ATOM 862 N SER A 55 -10.086 9.311 5.476 1.00 0.00 N ATOM 863 CA SER A 55 -10.334 10.103 4.274 1.00 0.00 C ATOM 864 C SER A 55 -11.772 10.600 4.276 1.00 0.00 C ATOM 865 O SER A 55 -12.552 10.275 5.174 1.00 0.00 O ATOM 866 CB SER A 55 -10.088 9.268 3.006 1.00 0.00 C ATOM 867 OG SER A 55 -10.187 10.050 1.825 1.00 0.00 O ATOM 0 H SER A 55 -10.844 9.342 6.158 1.00 0.00 H new ATOM 0 HA SER A 55 -9.647 10.949 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.099 8.814 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.811 8.453 2.963 1.00 0.00 H new ATOM 0 HG SER A 55 -9.298 10.154 1.426 1.00 0.00 H new ATOM 873 N PHE A 56 -12.105 11.395 3.276 1.00 0.00 N ATOM 874 CA PHE A 56 -13.480 11.768 3.008 1.00 0.00 C ATOM 875 C PHE A 56 -13.676 11.939 1.510 1.00 0.00 C ATOM 876 O PHE A 56 -13.120 12.851 0.901 1.00 0.00 O ATOM 877 CB PHE A 56 -13.870 13.055 3.749 1.00 0.00 C ATOM 878 CG PHE A 56 -15.293 13.480 3.495 1.00 0.00 C ATOM 879 CD1 PHE A 56 -15.572 14.547 2.654 1.00 0.00 C ATOM 880 CD2 PHE A 56 -16.349 12.802 4.082 1.00 0.00 C ATOM 881 CE1 PHE A 56 -16.875 14.931 2.405 1.00 0.00 C ATOM 882 CE2 PHE A 56 -17.657 13.183 3.839 1.00 0.00 C ATOM 883 CZ PHE A 56 -17.919 14.248 2.998 1.00 0.00 C ATOM 0 H PHE A 56 -11.430 11.800 2.627 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.129 10.972 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -13.728 12.907 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -13.198 13.858 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -14.760 15.085 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -16.149 11.967 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -17.077 15.764 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -18.472 12.649 4.306 1.00 0.00 H new ATOM 0 HZ PHE A 56 -18.939 14.546 2.805 1.00 0.00 H new ATOM 893 N SER A 57 -14.447 11.048 0.918 1.00 0.00 N ATOM 894 CA SER A 57 -14.739 11.126 -0.497 1.00 0.00 C ATOM 895 C SER A 57 -16.181 11.571 -0.704 1.00 0.00 C ATOM 896 O SER A 57 -17.105 11.028 -0.094 1.00 0.00 O ATOM 897 CB SER A 57 -14.489 9.767 -1.155 1.00 0.00 C ATOM 898 OG SER A 57 -15.192 8.733 -0.487 1.00 0.00 O ATOM 0 H SER A 57 -14.883 10.260 1.398 1.00 0.00 H new ATOM 0 HA SER A 57 -14.082 11.860 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.799 9.804 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.421 9.548 -1.147 1.00 0.00 H new ATOM 0 HG SER A 57 -15.605 8.139 -1.148 1.00 0.00 H new ATOM 904 N LYS A 58 -16.361 12.585 -1.543 1.00 0.00 N ATOM 905 CA LYS A 58 -17.687 13.124 -1.815 1.00 0.00 C ATOM 906 C LYS A 58 -18.545 12.120 -2.587 1.00 0.00 C ATOM 907 O LYS A 58 -19.735 11.980 -2.317 1.00 0.00 O ATOM 908 CB LYS A 58 -17.597 14.449 -2.592 1.00 0.00 C ATOM 909 CG LYS A 58 -17.276 14.285 -4.074 1.00 0.00 C ATOM 910 CD LYS A 58 -17.205 15.628 -4.791 1.00 0.00 C ATOM 911 CE LYS A 58 -17.232 15.469 -6.310 1.00 0.00 C ATOM 912 NZ LYS A 58 -18.560 15.009 -6.807 1.00 0.00 N ATOM 0 H LYS A 58 -15.605 13.050 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.163 13.317 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.544 14.980 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.832 15.075 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.325 13.764 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.037 13.662 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.042 16.251 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.293 16.148 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.982 16.421 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.466 14.755 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.610 15.141 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.686 14.002 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.312 15.563 -6.350 1.00 0.00 H new ATOM 926 N ASP A 59 -17.948 11.428 -3.556 1.00 0.00 N ATOM 927 CA ASP A 59 -18.700 10.513 -4.405 1.00 0.00 C ATOM 928 C ASP A 59 -17.959 9.201 -4.600 1.00 0.00 C ATOM 929 O ASP A 59 -18.538 8.120 -4.465 1.00 0.00 O ATOM 930 CB ASP A 59 -18.943 11.158 -5.768 1.00 0.00 C ATOM 931 CG ASP A 59 -19.851 10.331 -6.652 1.00 0.00 C ATOM 932 OD1 ASP A 59 -21.069 10.596 -6.662 1.00 0.00 O ATOM 933 OD2 ASP A 59 -19.354 9.430 -7.355 1.00 0.00 O ATOM 0 H ASP A 59 -16.952 11.484 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.649 10.303 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.383 12.145 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.987 11.304 -6.272 1.00 0.00 H new ATOM 938 N TRP A 60 -16.672 9.307 -4.905 1.00 0.00 N ATOM 939 CA TRP A 60 -15.879 8.146 -5.286 1.00 0.00 C ATOM 940 C TRP A 60 -15.579 7.263 -4.083 1.00 0.00 C ATOM 941 O TRP A 60 -16.024 7.544 -2.966 1.00 0.00 O ATOM 942 CB TRP A 60 -14.571 8.583 -5.959 1.00 0.00 C ATOM 943 CG TRP A 60 -14.766 9.610 -7.033 1.00 0.00 C ATOM 944 CD1 TRP A 60 -14.242 10.869 -7.061 1.00 0.00 C ATOM 945 CD2 TRP A 60 -15.548 9.475 -8.225 1.00 0.00 C ATOM 946 NE1 TRP A 60 -14.642 11.521 -8.198 1.00 0.00 N ATOM 947 CE2 TRP A 60 -15.444 10.689 -8.928 1.00 0.00 C ATOM 948 CE3 TRP A 60 -16.323 8.447 -8.766 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -16.084 10.906 -10.142 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -16.962 8.658 -9.973 1.00 0.00 C ATOM 951 CH2 TRP A 60 -16.838 9.888 -10.655 1.00 0.00 C ATOM 0 H TRP A 60 -16.155 10.186 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 60 -16.465 7.564 -5.997 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -13.898 8.984 -5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -14.082 7.708 -6.388 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -13.605 11.291 -6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -14.383 12.473 -8.457 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -16.421 7.503 -8.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -15.989 11.847 -10.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -17.565 7.871 -10.401 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -17.347 10.027 -11.597 1.00 0.00 H new ATOM 962 N SER A 61 -14.826 6.196 -4.318 1.00 0.00 N ATOM 963 CA SER A 61 -14.452 5.267 -3.265 1.00 0.00 C ATOM 964 C SER A 61 -13.743 5.985 -2.122 1.00 0.00 C ATOM 965 O SER A 61 -12.959 6.909 -2.343 1.00 0.00 O ATOM 966 CB SER A 61 -13.536 4.182 -3.837 1.00 0.00 C ATOM 967 OG SER A 61 -14.204 3.430 -4.834 1.00 0.00 O ATOM 0 H SER A 61 -14.460 5.953 -5.239 1.00 0.00 H new ATOM 0 HA SER A 61 -15.362 4.814 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.642 4.641 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.206 3.520 -3.036 1.00 0.00 H new ATOM 0 HG SER A 61 -13.723 3.513 -5.684 1.00 0.00 H new ATOM 973 N PHE A 62 -14.043 5.565 -0.907 1.00 0.00 N ATOM 974 CA PHE A 62 -13.387 6.100 0.272 1.00 0.00 C ATOM 975 C PHE A 62 -11.956 5.594 0.295 1.00 0.00 C ATOM 976 O PHE A 62 -11.717 4.395 0.145 1.00 0.00 O ATOM 977 CB PHE A 62 -14.123 5.659 1.543 1.00 0.00 C ATOM 978 CG PHE A 62 -15.619 5.543 1.384 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.461 6.597 1.719 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.183 4.363 0.913 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.834 6.473 1.584 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.552 4.238 0.774 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.378 5.293 1.112 1.00 0.00 C ATOM 0 H PHE A 62 -14.742 4.849 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.399 7.189 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.727 4.695 1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.908 6.371 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.041 7.521 2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.543 3.533 0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.479 7.298 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.976 3.317 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.449 5.196 1.007 1.00 0.00 H new ATOM 993 N TYR A 63 -11.008 6.497 0.458 1.00 0.00 N ATOM 994 CA TYR A 63 -9.612 6.124 0.351 1.00 0.00 C ATOM 995 C TYR A 63 -9.035 5.818 1.731 1.00 0.00 C ATOM 996 O TYR A 63 -9.451 6.398 2.732 1.00 0.00 O ATOM 997 CB TYR A 63 -8.809 7.244 -0.336 1.00 0.00 C ATOM 998 CG TYR A 63 -9.568 7.977 -1.431 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.521 7.551 -2.754 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.330 9.103 -1.135 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.214 8.224 -3.748 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -11.023 9.780 -2.121 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.962 9.337 -3.424 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.658 10.005 -4.409 1.00 0.00 O ATOM 0 H TYR A 63 -11.176 7.482 0.662 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.538 5.224 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.496 7.966 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.902 6.816 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.935 6.681 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.381 9.455 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.169 7.879 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.609 10.652 -1.871 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.134 10.765 -4.015 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.106 4.879 1.773 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.379 4.574 2.997 1.00 0.00 C ATOM 1016 C LEU A 64 -5.896 4.399 2.680 1.00 0.00 C ATOM 1017 O LEU A 64 -5.530 3.693 1.736 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.020 3.346 3.687 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.180 2.619 4.736 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.077 2.145 5.865 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.470 1.436 4.101 1.00 0.00 C ATOM 0 H LEU A 64 -7.835 4.311 0.970 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.447 5.398 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.947 3.670 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.292 2.627 2.914 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.432 3.303 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.477 1.626 6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.568 3.003 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.831 1.465 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.873 0.923 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.208 0.746 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.819 1.789 3.301 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.047 5.066 3.462 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.628 5.161 3.148 1.00 0.00 C ATOM 1035 C LEU A 65 -2.794 4.355 4.138 1.00 0.00 C ATOM 1036 O LEU A 65 -2.972 4.461 5.349 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.182 6.635 3.191 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.104 7.070 2.181 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.837 8.574 2.303 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.804 6.289 2.358 1.00 0.00 C ATOM 0 H LEU A 65 -5.321 5.548 4.318 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.474 4.755 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.062 7.260 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.812 6.848 4.194 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.485 6.850 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.073 8.867 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.756 9.124 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.492 8.802 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.073 6.629 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.414 6.454 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.996 5.226 2.213 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.879 3.560 3.609 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.909 2.844 4.433 1.00 0.00 C ATOM 1054 C TYR A 66 0.504 3.113 3.931 1.00 0.00 C ATOM 1055 O TYR A 66 0.835 2.796 2.789 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.204 1.342 4.450 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.122 0.896 5.567 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.477 0.692 5.349 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.620 0.640 6.840 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.301 0.253 6.359 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.446 0.204 7.860 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.784 0.012 7.612 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.608 -0.417 8.625 1.00 0.00 O ATOM 0 H TYR A 66 -1.784 3.391 2.608 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.991 3.209 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.650 1.061 3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.262 0.800 4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.892 0.881 4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.567 0.784 7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.353 0.097 6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.043 0.016 8.844 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.099 -1.213 8.332 1.00 0.00 H new ATOM 1073 N TYR A 67 1.326 3.729 4.775 1.00 0.00 N ATOM 1074 CA TYR A 67 2.678 4.100 4.372 1.00 0.00 C ATOM 1075 C TYR A 67 3.702 3.776 5.454 1.00 0.00 C ATOM 1076 O TYR A 67 3.350 3.514 6.603 1.00 0.00 O ATOM 1077 CB TYR A 67 2.744 5.596 4.018 1.00 0.00 C ATOM 1078 CG TYR A 67 2.455 6.538 5.172 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.482 7.019 5.977 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.160 6.962 5.443 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.226 7.892 7.016 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.894 7.836 6.482 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.930 8.297 7.265 1.00 0.00 C ATOM 1084 OH TYR A 67 1.673 9.167 8.301 1.00 0.00 O ATOM 0 H TYR A 67 1.083 3.980 5.733 1.00 0.00 H new ATOM 0 HA TYR A 67 2.926 3.510 3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.736 5.818 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.033 5.797 3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.497 6.704 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.346 6.603 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.036 8.256 7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.119 8.155 6.678 1.00 0.00 H new ATOM 0 HH TYR A 67 0.712 9.353 8.341 1.00 0.00 H new ATOM 1094 N THR A 68 4.973 3.791 5.070 1.00 0.00 N ATOM 1095 CA THR A 68 6.062 3.566 6.009 1.00 0.00 C ATOM 1096 C THR A 68 7.326 4.275 5.532 1.00 0.00 C ATOM 1097 O THR A 68 7.528 4.473 4.329 1.00 0.00 O ATOM 1098 CB THR A 68 6.348 2.052 6.201 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.301 1.854 7.254 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.872 1.414 4.919 1.00 0.00 C ATOM 0 H THR A 68 5.274 3.958 4.110 1.00 0.00 H new ATOM 0 HA THR A 68 5.757 3.977 6.972 1.00 0.00 H new ATOM 0 HB THR A 68 5.405 1.573 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.709 0.968 7.163 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.061 0.354 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.131 1.527 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.799 1.904 4.621 1.00 0.00 H new ATOM 1108 N GLU A 69 8.150 4.685 6.483 1.00 0.00 N ATOM 1109 CA GLU A 69 9.442 5.277 6.184 1.00 0.00 C ATOM 1110 C GLU A 69 10.465 4.155 6.054 1.00 0.00 C ATOM 1111 O GLU A 69 10.570 3.300 6.934 1.00 0.00 O ATOM 1112 CB GLU A 69 9.835 6.248 7.306 1.00 0.00 C ATOM 1113 CG GLU A 69 11.078 7.073 7.025 1.00 0.00 C ATOM 1114 CD GLU A 69 11.533 7.850 8.242 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.522 7.434 8.876 1.00 0.00 O ATOM 1116 OE2 GLU A 69 10.889 8.862 8.589 1.00 0.00 O ATOM 0 H GLU A 69 7.942 4.617 7.479 1.00 0.00 H new ATOM 0 HA GLU A 69 9.401 5.838 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.001 6.925 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.993 5.679 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.882 6.415 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.876 7.766 6.208 1.00 0.00 H new ATOM 1123 N PHE A 70 11.199 4.138 4.954 1.00 0.00 N ATOM 1124 CA PHE A 70 12.107 3.032 4.671 1.00 0.00 C ATOM 1125 C PHE A 70 13.371 3.540 3.979 1.00 0.00 C ATOM 1126 O PHE A 70 13.398 4.657 3.464 1.00 0.00 O ATOM 1127 CB PHE A 70 11.410 1.941 3.831 1.00 0.00 C ATOM 1128 CG PHE A 70 11.023 2.341 2.428 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.746 3.656 2.104 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.930 1.382 1.436 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.390 4.008 0.818 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.571 1.723 0.147 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.300 3.040 -0.165 1.00 0.00 C ATOM 0 H PHE A 70 11.187 4.871 4.245 1.00 0.00 H new ATOM 0 HA PHE A 70 12.398 2.579 5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.071 1.076 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.511 1.621 4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.809 4.418 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.142 0.350 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.182 5.040 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.502 0.961 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.019 3.313 -1.172 1.00 0.00 H new ATOM 1143 N THR A 71 14.415 2.728 3.996 1.00 0.00 N ATOM 1144 CA THR A 71 15.638 3.026 3.268 1.00 0.00 C ATOM 1145 C THR A 71 15.895 1.944 2.214 1.00 0.00 C ATOM 1146 O THR A 71 16.566 0.947 2.493 1.00 0.00 O ATOM 1147 CB THR A 71 16.839 3.114 4.231 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.530 4.028 5.297 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.103 3.579 3.515 1.00 0.00 C ATOM 0 H THR A 71 14.439 1.848 4.512 1.00 0.00 H new ATOM 0 HA THR A 71 15.519 3.990 2.774 1.00 0.00 H new ATOM 0 HB THR A 71 17.025 2.117 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.292 4.084 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.927 3.628 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.351 2.875 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.935 4.566 3.085 1.00 0.00 H new ATOM 1157 N PRO A 72 15.318 2.111 1.005 1.00 0.00 N ATOM 1158 CA PRO A 72 15.454 1.154 -0.105 1.00 0.00 C ATOM 1159 C PRO A 72 16.891 0.769 -0.394 1.00 0.00 C ATOM 1160 O PRO A 72 17.807 1.583 -0.269 1.00 0.00 O ATOM 1161 CB PRO A 72 14.858 1.900 -1.319 1.00 0.00 C ATOM 1162 CG PRO A 72 14.654 3.310 -0.866 1.00 0.00 C ATOM 1163 CD PRO A 72 14.459 3.241 0.618 1.00 0.00 C ATOM 0 HA PRO A 72 14.953 0.216 0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.532 1.857 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.916 1.449 -1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.515 3.930 -1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.787 3.755 -1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.761 4.166 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.416 3.066 0.882 1.00 0.00 H new ATOM 1171 N THR A 73 17.064 -0.480 -0.789 1.00 0.00 N ATOM 1172 CA THR A 73 18.358 -1.010 -1.148 1.00 0.00 C ATOM 1173 C THR A 73 18.219 -1.874 -2.391 1.00 0.00 C ATOM 1174 O THR A 73 17.105 -2.201 -2.795 1.00 0.00 O ATOM 1175 CB THR A 73 18.978 -1.852 -0.013 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.148 -2.986 0.282 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.153 -1.034 1.252 1.00 0.00 C ATOM 0 H THR A 73 16.303 -1.155 -0.869 1.00 0.00 H new ATOM 0 HA THR A 73 19.021 -0.165 -1.336 1.00 0.00 H new ATOM 0 HB THR A 73 19.957 -2.186 -0.357 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.555 -3.511 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.592 -1.658 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.811 -0.189 1.050 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.182 -0.667 1.585 1.00 0.00 H new ATOM 1185 N GLU A 74 19.337 -2.217 -2.997 1.00 0.00 N ATOM 1186 CA GLU A 74 19.337 -3.076 -4.171 1.00 0.00 C ATOM 1187 C GLU A 74 18.919 -4.492 -3.794 1.00 0.00 C ATOM 1188 O GLU A 74 18.194 -5.173 -4.524 1.00 0.00 O ATOM 1189 CB GLU A 74 20.742 -3.107 -4.774 1.00 0.00 C ATOM 1190 CG GLU A 74 20.762 -3.188 -6.278 1.00 0.00 C ATOM 1191 CD GLU A 74 20.398 -1.872 -6.942 1.00 0.00 C ATOM 1192 OE1 GLU A 74 19.212 -1.676 -7.274 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.298 -1.024 -7.133 1.00 0.00 O ATOM 0 H GLU A 74 20.264 -1.914 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 74 18.627 -2.681 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.280 -2.212 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.282 -3.962 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.755 -3.494 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.065 -3.960 -6.605 1.00 0.00 H new ATOM 1200 N LYS A 75 19.401 -4.921 -2.641 1.00 0.00 N ATOM 1201 CA LYS A 75 19.236 -6.285 -2.177 1.00 0.00 C ATOM 1202 C LYS A 75 17.864 -6.563 -1.552 1.00 0.00 C ATOM 1203 O LYS A 75 17.355 -7.680 -1.666 1.00 0.00 O ATOM 1204 CB LYS A 75 20.330 -6.584 -1.160 1.00 0.00 C ATOM 1205 CG LYS A 75 21.737 -6.535 -1.740 1.00 0.00 C ATOM 1206 CD LYS A 75 22.692 -5.849 -0.782 1.00 0.00 C ATOM 1207 CE LYS A 75 24.132 -5.904 -1.270 1.00 0.00 C ATOM 1208 NZ LYS A 75 25.074 -5.341 -0.264 1.00 0.00 N ATOM 0 H LYS A 75 19.922 -4.327 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 75 19.309 -6.935 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.259 -5.867 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.157 -7.572 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.086 -7.547 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.725 -6.003 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.392 -4.809 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.624 -6.322 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.404 -6.937 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.222 -5.349 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 26.046 -5.395 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.829 -4.348 -0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.006 -5.887 0.619 1.00 0.00 H new ATOM 1222 N ASP A 76 17.261 -5.579 -0.891 1.00 0.00 N ATOM 1223 CA ASP A 76 15.987 -5.834 -0.197 1.00 0.00 C ATOM 1224 C ASP A 76 14.801 -5.460 -1.080 1.00 0.00 C ATOM 1225 O ASP A 76 14.986 -4.986 -2.200 1.00 0.00 O ATOM 1226 CB ASP A 76 15.899 -5.090 1.138 1.00 0.00 C ATOM 1227 CG ASP A 76 15.136 -5.879 2.178 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.776 -6.609 2.964 1.00 0.00 O ATOM 1229 OD2 ASP A 76 13.900 -5.783 2.213 1.00 0.00 O ATOM 0 H ASP A 76 17.613 -4.625 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 76 15.952 -6.903 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.904 -4.884 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.412 -4.127 0.985 1.00 0.00 H new ATOM 1234 N GLU A 77 13.589 -5.661 -0.570 1.00 0.00 N ATOM 1235 CA GLU A 77 12.380 -5.473 -1.359 1.00 0.00 C ATOM 1236 C GLU A 77 11.200 -5.306 -0.417 1.00 0.00 C ATOM 1237 O GLU A 77 11.159 -5.923 0.645 1.00 0.00 O ATOM 1238 CB GLU A 77 12.186 -6.687 -2.304 1.00 0.00 C ATOM 1239 CG GLU A 77 10.867 -6.759 -3.097 1.00 0.00 C ATOM 1240 CD GLU A 77 9.821 -7.631 -2.424 1.00 0.00 C ATOM 1241 OE1 GLU A 77 9.596 -8.757 -2.913 1.00 0.00 O ATOM 1242 OE2 GLU A 77 9.232 -7.207 -1.415 1.00 0.00 O ATOM 0 H GLU A 77 13.420 -5.956 0.392 1.00 0.00 H new ATOM 0 HA GLU A 77 12.460 -4.578 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.010 -6.694 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.272 -7.596 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.468 -5.752 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.069 -7.148 -4.095 1.00 0.00 H new ATOM 1249 N TYR A 78 10.254 -4.460 -0.788 1.00 0.00 N ATOM 1250 CA TYR A 78 9.075 -4.247 0.033 1.00 0.00 C ATOM 1251 C TYR A 78 7.828 -4.456 -0.810 1.00 0.00 C ATOM 1252 O TYR A 78 7.850 -4.268 -2.027 1.00 0.00 O ATOM 1253 CB TYR A 78 9.055 -2.845 0.685 1.00 0.00 C ATOM 1254 CG TYR A 78 10.397 -2.347 1.201 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.615 -2.170 2.563 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.437 -2.040 0.331 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.830 -1.710 3.041 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.653 -1.583 0.800 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.844 -1.421 2.155 1.00 0.00 C ATOM 1260 OH TYR A 78 14.052 -0.968 2.629 1.00 0.00 O ATOM 0 H TYR A 78 10.279 -3.912 -1.648 1.00 0.00 H new ATOM 0 HA TYR A 78 9.100 -4.972 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.677 -2.129 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.348 -2.859 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.822 -2.396 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.291 -2.161 -0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.982 -1.579 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.450 -1.354 0.108 1.00 0.00 H new ATOM 0 HH TYR A 78 14.728 -1.038 1.923 1.00 0.00 H new ATOM 1270 N ALA A 79 6.750 -4.856 -0.160 1.00 0.00 N ATOM 1271 CA ALA A 79 5.523 -5.240 -0.864 1.00 0.00 C ATOM 1272 C ALA A 79 4.276 -4.685 -0.184 1.00 0.00 C ATOM 1273 O ALA A 79 4.352 -4.177 0.920 1.00 0.00 O ATOM 1274 CB ALA A 79 5.438 -6.752 -0.985 1.00 0.00 C ATOM 0 H ALA A 79 6.692 -4.926 0.856 1.00 0.00 H new ATOM 0 HA ALA A 79 5.566 -4.804 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.522 -7.024 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.299 -7.121 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.432 -7.197 0.010 1.00 0.00 H new ATOM 1280 N CYS A 80 3.148 -4.714 -0.875 1.00 0.00 N ATOM 1281 CA CYS A 80 1.863 -4.335 -0.291 1.00 0.00 C ATOM 1282 C CYS A 80 0.915 -5.534 -0.292 1.00 0.00 C ATOM 1283 O CYS A 80 0.814 -6.245 -1.290 1.00 0.00 O ATOM 1284 CB CYS A 80 1.228 -3.217 -1.111 1.00 0.00 C ATOM 1285 SG CYS A 80 1.658 -1.531 -0.591 1.00 0.00 S ATOM 0 H CYS A 80 3.093 -4.999 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 80 2.034 -3.997 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.520 -3.343 -2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.144 -3.328 -1.067 1.00 0.00 H new ATOM 1290 N ARG A 81 0.242 -5.763 0.821 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.764 -6.816 0.914 1.00 0.00 C ATOM 1292 C ARG A 81 -2.115 -6.211 1.264 1.00 0.00 C ATOM 1293 O ARG A 81 -2.201 -5.397 2.176 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.397 -7.791 2.019 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.014 -9.168 1.860 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.703 -10.036 3.073 1.00 0.00 C ATOM 1297 NE ARG A 81 0.729 -10.291 3.218 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.243 -11.197 4.051 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.442 -11.938 4.809 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.559 -11.364 4.120 1.00 0.00 N ATOM 0 H ARG A 81 0.372 -5.232 1.682 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.810 -7.329 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.688 -7.892 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.709 -7.373 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.093 -9.077 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.630 -9.643 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.076 -9.547 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.232 -10.985 2.984 1.00 0.00 H new ATOM 0 HE ARG A 81 1.374 -9.743 2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.569 -11.815 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.838 -12.630 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.176 -10.799 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.952 -12.057 4.757 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.168 -6.596 0.561 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.502 -6.146 0.937 1.00 0.00 C ATOM 1316 C VAL A 82 -5.441 -7.325 1.077 1.00 0.00 C ATOM 1317 O VAL A 82 -5.380 -8.293 0.316 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.110 -5.112 -0.039 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.040 -4.184 -0.543 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.845 -5.767 -1.193 1.00 0.00 C ATOM 0 H VAL A 82 -3.130 -7.206 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.384 -5.642 1.896 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.850 -4.535 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.480 -3.460 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.588 -3.658 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.275 -4.760 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.253 -4.997 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.153 -6.394 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.658 -6.381 -0.805 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.273 -7.248 2.083 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.249 -8.283 2.352 1.00 0.00 C ATOM 1332 C ASN A 83 -8.656 -7.737 2.188 1.00 0.00 C ATOM 1333 O ASN A 83 -9.020 -6.754 2.835 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.092 -8.821 3.783 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.687 -9.302 4.108 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.396 -10.490 4.036 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.806 -8.379 4.465 1.00 0.00 N ATOM 0 H ASN A 83 -6.297 -6.469 2.741 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.081 -9.092 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.370 -8.037 4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.791 -9.644 3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.849 -8.648 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.085 -7.399 4.514 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.444 -8.361 1.322 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.834 -7.997 1.162 1.00 0.00 C ATOM 1346 C HIS A 84 -11.608 -9.239 0.742 1.00 0.00 C ATOM 1347 O HIS A 84 -11.025 -10.178 0.197 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.968 -6.897 0.107 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.270 -6.160 0.165 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.284 -6.445 -0.716 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.671 -5.161 0.997 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.273 -5.624 -0.406 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.949 -4.829 0.623 1.00 0.00 N ATOM 0 H HIS A 84 -9.136 -9.125 0.720 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.235 -7.614 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.152 -6.185 0.232 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.856 -7.340 -0.883 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.096 -4.716 1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.223 -5.597 -0.918 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.540 -4.114 1.047 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.912 -9.241 0.996 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.749 -10.402 0.726 1.00 0.00 C ATOM 1363 C VAL A 85 -13.830 -10.704 -0.762 1.00 0.00 C ATOM 1364 O VAL A 85 -14.187 -11.812 -1.159 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.182 -10.213 1.272 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.162 -10.012 2.777 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.885 -9.051 0.579 1.00 0.00 C ATOM 0 H VAL A 85 -13.414 -8.446 1.391 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.277 -11.241 1.238 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.746 -11.121 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.181 -9.881 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.716 -10.884 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.574 -9.126 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.891 -8.941 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.324 -8.132 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.943 -9.247 -0.492 1.00 0.00 H new ATOM 1377 N THR A 86 -13.520 -9.714 -1.582 1.00 0.00 N ATOM 1378 CA THR A 86 -13.609 -9.866 -3.021 1.00 0.00 C ATOM 1379 C THR A 86 -12.448 -10.673 -3.570 1.00 0.00 C ATOM 1380 O THR A 86 -12.613 -11.482 -4.486 1.00 0.00 O ATOM 1381 CB THR A 86 -13.607 -8.501 -3.704 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.442 -7.773 -3.311 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.834 -7.700 -3.343 1.00 0.00 C ATOM 0 H THR A 86 -13.204 -8.795 -1.273 1.00 0.00 H new ATOM 0 HA THR A 86 -14.541 -10.392 -3.227 1.00 0.00 H new ATOM 0 HB THR A 86 -13.608 -8.665 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.608 -7.328 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.799 -6.734 -3.847 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.727 -8.241 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.863 -7.546 -2.264 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.272 -10.435 -3.019 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.081 -11.116 -3.467 1.00 0.00 C ATOM 1393 C LEU A 87 -10.068 -12.515 -2.879 1.00 0.00 C ATOM 1394 O LEU A 87 -10.044 -12.678 -1.657 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.824 -10.345 -3.037 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.676 -8.954 -3.658 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.362 -8.305 -3.240 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.770 -9.046 -5.174 1.00 0.00 C ATOM 0 H LEU A 87 -11.121 -9.772 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.083 -11.174 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.832 -10.243 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.946 -10.937 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.489 -8.326 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.283 -7.318 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.333 -8.207 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.529 -8.925 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.664 -8.051 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.976 -9.692 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.738 -9.461 -5.454 1.00 0.00 H new ATOM 1410 N SER A 88 -10.116 -13.522 -3.749 1.00 0.00 N ATOM 1411 CA SER A 88 -10.125 -14.909 -3.309 1.00 0.00 C ATOM 1412 C SER A 88 -8.884 -15.204 -2.479 1.00 0.00 C ATOM 1413 O SER A 88 -8.909 -16.043 -1.580 1.00 0.00 O ATOM 1414 CB SER A 88 -10.219 -15.851 -4.512 1.00 0.00 C ATOM 1415 OG SER A 88 -9.297 -15.479 -5.524 1.00 0.00 O ATOM 0 H SER A 88 -10.149 -13.400 -4.761 1.00 0.00 H new ATOM 0 HA SER A 88 -11.002 -15.075 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.021 -16.874 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.232 -15.833 -4.914 1.00 0.00 H new ATOM 0 HG SER A 88 -9.375 -16.097 -6.281 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.807 -14.484 -2.774 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.587 -14.535 -1.997 1.00 0.00 C ATOM 1423 C GLN A 89 -6.116 -13.095 -1.818 1.00 0.00 C ATOM 1424 O GLN A 89 -6.149 -12.335 -2.788 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.509 -15.327 -2.749 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.001 -16.638 -3.343 1.00 0.00 C ATOM 1427 CD GLN A 89 -6.373 -17.664 -2.289 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -5.796 -17.691 -1.202 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -7.336 -18.517 -2.606 1.00 0.00 N ATOM 0 H GLN A 89 -7.762 -13.845 -3.568 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.764 -15.023 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.109 -14.705 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.685 -15.536 -2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.868 -16.442 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.226 -17.052 -3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.788 -18.460 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.625 -19.231 -1.938 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.735 -12.670 -0.596 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.159 -11.336 -0.375 1.00 0.00 C ATOM 1440 C PRO A 90 -4.124 -10.971 -1.420 1.00 0.00 C ATOM 1441 O PRO A 90 -3.281 -11.789 -1.800 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.506 -11.482 0.980 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.446 -12.371 1.703 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.860 -13.415 0.682 1.00 0.00 C ATOM 0 HA PRO A 90 -5.908 -10.546 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.511 -11.921 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.393 -10.520 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.968 -12.832 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.308 -11.817 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.211 -14.290 0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.878 -13.768 0.850 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.179 -9.734 -1.862 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.400 -9.312 -2.994 1.00 0.00 C ATOM 1454 C LYS A 91 -2.068 -8.746 -2.555 1.00 0.00 C ATOM 1455 O LYS A 91 -2.009 -7.831 -1.733 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.143 -8.280 -3.815 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.467 -8.030 -5.141 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.471 -9.280 -5.989 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.854 -9.618 -6.526 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.383 -8.550 -7.412 1.00 0.00 N ATOM 0 H LYS A 91 -4.759 -9.004 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.224 -10.192 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.165 -8.618 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.205 -7.346 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.978 -7.225 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.441 -7.701 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.783 -9.150 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.100 -10.117 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.809 -10.557 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.539 -9.770 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.160 -8.931 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.736 -7.761 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.624 -8.209 -8.036 1.00 0.00 H new ATOM 1474 N ILE A 92 -1.008 -9.305 -3.095 1.00 0.00 N ATOM 1475 CA ILE A 92 0.330 -8.804 -2.847 1.00 0.00 C ATOM 1476 C ILE A 92 0.887 -8.169 -4.103 1.00 0.00 C ATOM 1477 O ILE A 92 0.868 -8.765 -5.182 1.00 0.00 O ATOM 1478 CB ILE A 92 1.307 -9.901 -2.383 1.00 0.00 C ATOM 1479 CG1 ILE A 92 0.879 -10.480 -1.045 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.713 -9.373 -2.281 1.00 0.00 C ATOM 1481 CD1 ILE A 92 1.979 -11.117 -0.264 1.00 0.00 C ATOM 0 H ILE A 92 -1.046 -10.114 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 92 0.239 -8.072 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 92 1.286 -10.691 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.438 -9.685 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.098 -11.220 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.378 -10.171 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.037 -9.010 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.743 -8.555 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.582 -11.502 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.407 -11.937 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.752 -10.378 -0.055 1.00 0.00 H new ATOM 1493 N VAL A 93 1.360 -6.955 -3.955 1.00 0.00 N ATOM 1494 CA VAL A 93 2.044 -6.265 -5.022 1.00 0.00 C ATOM 1495 C VAL A 93 3.371 -5.753 -4.501 1.00 0.00 C ATOM 1496 O VAL A 93 3.425 -5.052 -3.495 1.00 0.00 O ATOM 1497 CB VAL A 93 1.215 -5.095 -5.597 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.994 -4.349 -6.672 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.097 -5.605 -6.166 1.00 0.00 C ATOM 0 H VAL A 93 1.282 -6.418 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 93 2.198 -6.972 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 93 1.004 -4.402 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.387 -3.531 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.913 -3.948 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.241 -5.033 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.669 -4.768 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.106 -6.321 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.671 -6.092 -5.378 1.00 0.00 H new ATOM 1509 N LYS A 94 4.431 -6.116 -5.186 1.00 0.00 N ATOM 1510 CA LYS A 94 5.760 -5.745 -4.756 1.00 0.00 C ATOM 1511 C LYS A 94 6.036 -4.316 -5.188 1.00 0.00 C ATOM 1512 O LYS A 94 5.593 -3.886 -6.257 1.00 0.00 O ATOM 1513 CB LYS A 94 6.809 -6.711 -5.318 1.00 0.00 C ATOM 1514 CG LYS A 94 7.618 -6.167 -6.483 1.00 0.00 C ATOM 1515 CD LYS A 94 8.806 -7.065 -6.767 1.00 0.00 C ATOM 1516 CE LYS A 94 10.075 -6.268 -7.032 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.351 -5.270 -5.967 1.00 0.00 N ATOM 0 H LYS A 94 4.399 -6.668 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 94 5.821 -5.807 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.494 -6.988 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.307 -7.624 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.988 -6.096 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.963 -5.158 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.967 -7.731 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.587 -7.694 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.920 -6.952 -7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.986 -5.757 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.375 -5.225 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.011 -4.335 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.861 -5.550 -5.093 1.00 0.00 H new ATOM 1531 N TRP A 95 6.749 -3.577 -4.359 1.00 0.00 N ATOM 1532 CA TRP A 95 7.056 -2.197 -4.664 1.00 0.00 C ATOM 1533 C TRP A 95 8.184 -2.149 -5.669 1.00 0.00 C ATOM 1534 O TRP A 95 9.130 -2.937 -5.580 1.00 0.00 O ATOM 1535 CB TRP A 95 7.483 -1.417 -3.407 1.00 0.00 C ATOM 1536 CG TRP A 95 7.938 -0.026 -3.744 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.148 1.055 -4.004 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.292 0.424 -3.899 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.921 2.141 -4.321 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.239 1.782 -4.261 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.541 -0.190 -3.770 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.383 2.534 -4.500 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.678 0.558 -4.004 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.591 1.911 -4.369 1.00 0.00 C ATOM 0 H TRP A 95 7.125 -3.911 -3.471 1.00 0.00 H new ATOM 0 HA TRP A 95 6.155 -1.735 -5.067 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.648 -1.367 -2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.289 -1.951 -2.903 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.069 1.055 -3.966 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.570 3.068 -4.563 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.616 -1.231 -3.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.319 3.575 -4.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.649 0.095 -3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.497 2.470 -4.550 1.00 0.00 H new ATOM 1555 N ASP A 96 8.092 -1.239 -6.616 1.00 0.00 N ATOM 1556 CA ASP A 96 9.199 -1.004 -7.526 1.00 0.00 C ATOM 1557 C ASP A 96 9.105 0.367 -8.156 1.00 0.00 C ATOM 1558 O ASP A 96 8.115 1.084 -8.008 1.00 0.00 O ATOM 1559 CB ASP A 96 9.297 -2.079 -8.606 1.00 0.00 C ATOM 1560 CG ASP A 96 10.738 -2.323 -9.000 1.00 0.00 C ATOM 1561 OD1 ASP A 96 11.309 -3.351 -8.580 1.00 0.00 O ATOM 1562 OD2 ASP A 96 11.305 -1.474 -9.726 1.00 0.00 O ATOM 0 H ASP A 96 7.272 -0.654 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 96 10.110 -1.053 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.854 -3.006 -8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.724 -1.773 -9.481 1.00 0.00 H new ATOM 1567 N ARG A 97 10.166 0.710 -8.848 1.00 0.00 N ATOM 1568 CA ARG A 97 10.341 2.021 -9.444 1.00 0.00 C ATOM 1569 C ARG A 97 10.376 1.921 -10.963 1.00 0.00 C ATOM 1570 O ARG A 97 10.023 2.869 -11.665 1.00 0.00 O ATOM 1571 CB ARG A 97 11.654 2.644 -8.936 1.00 0.00 C ATOM 1572 CG ARG A 97 12.809 1.633 -8.803 1.00 0.00 C ATOM 1573 CD ARG A 97 14.028 1.945 -9.672 1.00 0.00 C ATOM 1574 NE ARG A 97 14.940 0.804 -9.728 1.00 0.00 N ATOM 1575 CZ ARG A 97 15.791 0.578 -10.727 1.00 0.00 C ATOM 1576 NH1 ARG A 97 15.748 1.328 -11.822 1.00 0.00 N ATOM 1577 NH2 ARG A 97 16.655 -0.425 -10.645 1.00 0.00 N ATOM 0 H ARG A 97 10.948 0.077 -9.018 1.00 0.00 H new ATOM 0 HA ARG A 97 9.499 2.651 -9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.956 3.439 -9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.475 3.107 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.123 1.594 -7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.438 0.641 -9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.703 2.205 -10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.551 2.813 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 97 14.924 0.140 -8.954 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.062 2.079 -11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.401 1.153 -12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.667 -1.022 -9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.308 -0.600 -11.409 1.00 0.00 H new ATOM 1591 N ASP A 98 10.779 0.761 -11.467 1.00 0.00 N ATOM 1592 CA ASP A 98 10.969 0.579 -12.901 1.00 0.00 C ATOM 1593 C ASP A 98 10.307 -0.692 -13.380 1.00 0.00 C ATOM 1594 O ASP A 98 10.278 -0.985 -14.576 1.00 0.00 O ATOM 1595 CB ASP A 98 12.449 0.521 -13.229 1.00 0.00 C ATOM 1596 CG ASP A 98 13.018 1.877 -13.587 1.00 0.00 C ATOM 1597 OD1 ASP A 98 13.487 2.602 -12.682 1.00 0.00 O ATOM 1598 OD2 ASP A 98 12.995 2.230 -14.785 1.00 0.00 O ATOM 0 H ASP A 98 10.980 -0.066 -10.905 1.00 0.00 H new ATOM 0 HA ASP A 98 10.511 1.428 -13.408 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.992 0.117 -12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.607 -0.166 -14.060 1.00 0.00 H new ATOM 1603 N MET A 99 9.779 -1.446 -12.443 1.00 0.00 N ATOM 1604 CA MET A 99 9.141 -2.717 -12.758 1.00 0.00 C ATOM 1605 C MET A 99 7.639 -2.628 -12.510 1.00 0.00 C ATOM 1606 CB MET A 99 9.754 -3.823 -11.907 1.00 0.00 C ATOM 1607 CG MET A 99 11.262 -3.717 -11.829 1.00 0.00 C ATOM 1608 SD MET A 99 12.070 -4.056 -13.405 1.00 0.00 S ATOM 1609 CE MET A 99 11.540 -5.743 -13.700 1.00 0.00 C ATOM 0 H MET A 99 9.776 -1.206 -11.452 1.00 0.00 H new ATOM 0 HA MET A 99 9.304 -2.948 -13.811 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.336 -3.779 -10.901 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.481 -4.793 -12.323 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.534 -2.716 -11.494 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.632 -4.416 -11.079 1.00 0.00 H new ATOM 0 HE1 MET A 99 12.231 -6.226 -14.390 1.00 0.00 H new ATOM 0 HE2 MET A 99 11.527 -6.290 -12.757 1.00 0.00 H new ATOM 0 HE3 MET A 99 10.539 -5.740 -14.132 1.00 0.00 H new TER 1619 MET A 99