USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 102 GLN : amide:sc= 0.835 K(o=1.8,f=-4.3!) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -174:sc= 0.991 (180deg=0) USER MOD Set 2.1: A 69 SER OG : rot 168:sc= 1.28 USER MOD Set 2.2: A 76 GLN : amide:sc= 2.08 K(o=3.4,f=2.5) USER MOD Set 3.1: A 68 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 78 TYR OH : rot -94:sc= 0.029 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -166:sc= 0.961 (180deg=-0.00122) USER MOD Set 4.2: A 109 SER OG : rot -19:sc= 1.97 USER MOD Set 5.1: A 17 SER OG : rot -80:sc= 1.28 USER MOD Set 5.2: A 18 HIS : no HD1:sc= 0 X(o=1.3,f=1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 10 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=7.46e-05 USER MOD Single : A 24 MET CE :methyl 180:sc= -0.0768 (180deg=-0.0768) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.296 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.21) USER MOD Single : A 32 GLN : amide:sc= 0.879 K(o=0.88,f=-1.2) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.316 K(o=0.32,f=-4.1!) USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 41 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.88) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -91:sc= 1.29 USER MOD Single : A 47 ASN : amide:sc=-0.00365 K(o=-0.0037,f=-0.84) USER MOD Single : A 52 SER OG : rot -122:sc= 0.931 USER MOD Single : A 54 ASN : amide:sc= -0.0813 K(o=-0.081,f=-4.3!) USER MOD Single : A 58 ASN : amide:sc= 0.268 K(o=0.27,f=-6.3!) USER MOD Single : A 63 GLN : amide:sc= 1.1 K(o=1.1,f=-0.057) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -60:sc= 1.25 USER MOD Single : A 73 THR OG1 : rot 11:sc= 0.15 USER MOD Single : A 87 CYS SG : rot -160:sc= 0 USER MOD Single : A 90 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 83:sc= 1.34 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 MET CE :methyl -158:sc=-0.00733 (180deg=-0.519) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -3.628 7.783 -8.181 1.00 0.00 N ATOM 78 CA ALA A 6 -3.390 9.060 -8.878 1.00 0.00 C ATOM 79 C ALA A 6 -2.522 10.080 -8.101 1.00 0.00 C ATOM 80 O ALA A 6 -2.202 11.149 -8.630 1.00 0.00 O ATOM 81 CB ALA A 6 -4.757 9.648 -9.255 1.00 0.00 C ATOM 0 HA ALA A 6 -2.793 8.847 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.615 10.596 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.285 8.953 -9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.344 9.813 -8.351 1.00 0.00 H new ATOM 87 N LEU A 7 -2.112 9.757 -6.868 1.00 0.00 N ATOM 88 CA LEU A 7 -1.135 10.510 -6.069 1.00 0.00 C ATOM 89 C LEU A 7 0.136 10.794 -6.879 1.00 0.00 C ATOM 90 O LEU A 7 0.518 11.950 -7.023 1.00 0.00 O ATOM 91 CB LEU A 7 -0.878 9.715 -4.764 1.00 0.00 C ATOM 92 CG LEU A 7 0.042 10.344 -3.692 1.00 0.00 C ATOM 93 CD1 LEU A 7 1.536 10.159 -3.985 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.281 11.817 -3.422 1.00 0.00 C ATOM 0 H LEU A 7 -2.464 8.933 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.521 11.493 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.844 9.518 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.454 8.750 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.175 9.786 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.122 10.625 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.769 9.095 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.780 10.626 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.397 12.205 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.161 12.390 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.309 11.906 -3.071 1.00 0.00 H new ATOM 106 N LYS A 8 0.756 9.774 -7.488 1.00 0.00 N ATOM 107 CA LYS A 8 1.989 9.957 -8.273 1.00 0.00 C ATOM 108 C LYS A 8 1.781 10.889 -9.481 1.00 0.00 C ATOM 109 O LYS A 8 2.597 11.779 -9.717 1.00 0.00 O ATOM 110 CB LYS A 8 2.517 8.579 -8.704 1.00 0.00 C ATOM 111 CG LYS A 8 3.984 8.680 -9.151 1.00 0.00 C ATOM 112 CD LYS A 8 4.529 7.318 -9.599 1.00 0.00 C ATOM 113 CE LYS A 8 5.994 7.455 -10.043 1.00 0.00 C ATOM 114 NZ LYS A 8 6.536 6.166 -10.551 1.00 0.00 N ATOM 0 H LYS A 8 0.424 8.810 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 8 2.732 10.448 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.431 7.875 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.908 8.189 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.068 9.394 -9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.590 9.064 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.454 6.601 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.927 6.929 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.069 8.214 -10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.598 7.799 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.526 6.296 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.487 5.449 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.974 5.851 -11.368 1.00 0.00 H new ATOM 128 N THR A 9 0.657 10.730 -10.196 1.00 0.00 N ATOM 129 CA THR A 9 0.218 11.565 -11.318 1.00 0.00 C ATOM 130 C THR A 9 0.025 13.024 -10.901 1.00 0.00 C ATOM 131 O THR A 9 0.407 13.925 -11.642 1.00 0.00 O ATOM 132 CB THR A 9 -1.077 10.990 -11.891 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.024 9.576 -11.905 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.292 11.457 -13.323 1.00 0.00 C ATOM 0 H THR A 9 -0.001 9.977 -9.995 1.00 0.00 H new ATOM 0 HA THR A 9 0.995 11.556 -12.082 1.00 0.00 H new ATOM 0 HB THR A 9 -1.894 11.337 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.860 9.221 -12.273 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.220 11.034 -13.708 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.352 12.545 -13.346 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.458 11.127 -13.942 1.00 0.00 H new ATOM 142 N THR A 10 -0.518 13.247 -9.695 1.00 0.00 N ATOM 143 CA THR A 10 -0.722 14.574 -9.094 1.00 0.00 C ATOM 144 C THR A 10 0.620 15.217 -8.758 1.00 0.00 C ATOM 145 O THR A 10 0.871 16.346 -9.180 1.00 0.00 O ATOM 146 CB THR A 10 -1.624 14.476 -7.854 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.835 13.838 -8.204 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.971 15.859 -7.299 1.00 0.00 C ATOM 0 H THR A 10 -0.837 12.487 -9.093 1.00 0.00 H new ATOM 0 HA THR A 10 -1.227 15.212 -9.819 1.00 0.00 H new ATOM 0 HB THR A 10 -1.080 13.911 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.671 12.883 -8.351 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.610 15.750 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.055 16.378 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.496 16.436 -8.061 1.00 0.00 H new ATOM 156 N LEU A 11 1.503 14.493 -8.057 1.00 0.00 N ATOM 157 CA LEU A 11 2.863 14.951 -7.751 1.00 0.00 C ATOM 158 C LEU A 11 3.623 15.330 -9.025 1.00 0.00 C ATOM 159 O LEU A 11 4.112 16.453 -9.112 1.00 0.00 O ATOM 160 CB LEU A 11 3.638 13.878 -6.963 1.00 0.00 C ATOM 161 CG LEU A 11 3.149 13.590 -5.532 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.038 12.493 -4.932 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.186 14.835 -4.637 1.00 0.00 C ATOM 0 H LEU A 11 1.291 13.567 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 11 2.778 15.843 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.603 12.947 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.684 14.181 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 11 2.108 13.269 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.709 12.273 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.965 11.592 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.073 12.834 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.831 14.577 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.209 15.207 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.545 15.607 -5.061 1.00 0.00 H new ATOM 175 N ASP A 12 3.661 14.459 -10.033 1.00 0.00 N ATOM 176 CA ASP A 12 4.311 14.723 -11.320 1.00 0.00 C ATOM 177 C ASP A 12 3.754 15.984 -12.002 1.00 0.00 C ATOM 178 O ASP A 12 4.524 16.879 -12.349 1.00 0.00 O ATOM 179 CB ASP A 12 4.158 13.491 -12.221 1.00 0.00 C ATOM 180 CG ASP A 12 4.860 13.691 -13.573 1.00 0.00 C ATOM 181 OD1 ASP A 12 6.112 13.637 -13.612 1.00 0.00 O ATOM 182 OD2 ASP A 12 4.159 13.879 -14.594 1.00 0.00 O ATOM 0 H ASP A 12 3.234 13.534 -9.979 1.00 0.00 H new ATOM 0 HA ASP A 12 5.369 14.914 -11.141 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.575 12.618 -11.719 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.100 13.289 -12.386 1.00 0.00 H new ATOM 187 N LYS A 13 2.424 16.121 -12.100 1.00 0.00 N ATOM 188 CA LYS A 13 1.767 17.313 -12.654 1.00 0.00 C ATOM 189 C LYS A 13 2.111 18.583 -11.855 1.00 0.00 C ATOM 190 O LYS A 13 2.417 19.622 -12.446 1.00 0.00 O ATOM 191 CB LYS A 13 0.251 17.041 -12.719 1.00 0.00 C ATOM 192 CG LYS A 13 -0.528 18.173 -13.412 1.00 0.00 C ATOM 193 CD LYS A 13 -2.045 17.913 -13.436 1.00 0.00 C ATOM 194 CE LYS A 13 -2.479 16.659 -14.215 1.00 0.00 C ATOM 195 NZ LYS A 13 -2.237 16.780 -15.681 1.00 0.00 N ATOM 0 H LYS A 13 1.769 15.401 -11.794 1.00 0.00 H new ATOM 0 HA LYS A 13 2.136 17.505 -13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.077 16.107 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.133 16.908 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.332 19.113 -12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.166 18.287 -14.434 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.399 17.825 -12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.540 18.781 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.939 15.793 -13.832 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.539 16.476 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.547 15.909 -16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.773 17.589 -16.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.222 16.927 -15.854 1.00 0.00 H new ATOM 209 N VAL A 14 2.118 18.515 -10.520 1.00 0.00 N ATOM 210 CA VAL A 14 2.531 19.633 -9.650 1.00 0.00 C ATOM 211 C VAL A 14 4.023 19.963 -9.843 1.00 0.00 C ATOM 212 O VAL A 14 4.374 21.130 -10.008 1.00 0.00 O ATOM 213 CB VAL A 14 2.155 19.375 -8.177 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.816 20.339 -7.182 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.628 19.454 -7.987 1.00 0.00 C ATOM 0 H VAL A 14 1.837 17.681 -10.005 1.00 0.00 H new ATOM 0 HA VAL A 14 1.975 20.521 -9.950 1.00 0.00 H new ATOM 0 HB VAL A 14 2.529 18.375 -7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.500 20.090 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.900 20.251 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.518 21.362 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.381 19.269 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.277 20.445 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.144 18.703 -8.612 1.00 0.00 H new ATOM 225 N VAL A 15 4.893 18.953 -9.913 1.00 0.00 N ATOM 226 CA VAL A 15 6.343 19.090 -10.116 1.00 0.00 C ATOM 227 C VAL A 15 6.699 19.775 -11.442 1.00 0.00 C ATOM 228 O VAL A 15 7.579 20.634 -11.439 1.00 0.00 O ATOM 229 CB VAL A 15 7.037 17.718 -9.988 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.410 17.612 -10.669 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.202 17.358 -8.500 1.00 0.00 C ATOM 0 H VAL A 15 4.599 17.980 -9.827 1.00 0.00 H new ATOM 0 HA VAL A 15 6.715 19.746 -9.329 1.00 0.00 H new ATOM 0 HB VAL A 15 6.382 17.021 -10.511 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.813 16.610 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.303 17.806 -11.736 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.090 18.344 -10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.692 16.388 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.809 18.117 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.222 17.313 -8.026 1.00 0.00 H new ATOM 241 N THR A 16 6.031 19.434 -12.556 1.00 0.00 N ATOM 242 CA THR A 16 6.316 20.031 -13.874 1.00 0.00 C ATOM 243 C THR A 16 5.748 21.438 -14.007 1.00 0.00 C ATOM 244 O THR A 16 6.432 22.327 -14.508 1.00 0.00 O ATOM 245 CB THR A 16 5.803 19.136 -15.011 1.00 0.00 C ATOM 246 OG1 THR A 16 4.435 18.855 -14.812 1.00 0.00 O ATOM 247 CG2 THR A 16 6.581 17.819 -15.085 1.00 0.00 C ATOM 0 H THR A 16 5.282 18.741 -12.571 1.00 0.00 H new ATOM 0 HA THR A 16 7.400 20.108 -13.953 1.00 0.00 H new ATOM 0 HB THR A 16 5.947 19.672 -15.949 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.109 18.285 -15.539 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.190 17.211 -15.901 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.636 18.029 -15.262 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.471 17.278 -14.145 1.00 0.00 H new ATOM 255 N SER A 17 4.517 21.662 -13.544 1.00 0.00 N ATOM 256 CA SER A 17 3.832 22.958 -13.704 1.00 0.00 C ATOM 257 C SER A 17 4.334 24.053 -12.739 1.00 0.00 C ATOM 258 O SER A 17 4.437 25.215 -13.139 1.00 0.00 O ATOM 259 CB SER A 17 2.309 22.780 -13.588 1.00 0.00 C ATOM 260 OG SER A 17 1.910 22.221 -12.346 1.00 0.00 O ATOM 0 H SER A 17 3.965 20.960 -13.051 1.00 0.00 H new ATOM 0 HA SER A 17 4.080 23.311 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.825 23.748 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.961 22.139 -14.398 1.00 0.00 H new ATOM 0 HG SER A 17 2.039 21.250 -12.368 1.00 0.00 H new ATOM 266 N HIS A 18 4.690 23.707 -11.495 1.00 0.00 N ATOM 267 CA HIS A 18 5.240 24.662 -10.515 1.00 0.00 C ATOM 268 C HIS A 18 6.784 24.665 -10.461 1.00 0.00 C ATOM 269 O HIS A 18 7.377 25.559 -9.854 1.00 0.00 O ATOM 270 CB HIS A 18 4.645 24.366 -9.128 1.00 0.00 C ATOM 271 CG HIS A 18 3.150 24.583 -9.043 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.516 25.719 -8.595 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.168 23.681 -9.361 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.190 25.503 -8.635 1.00 0.00 C ATOM 275 NE2 HIS A 18 0.921 24.268 -9.099 1.00 0.00 N ATOM 0 H HIS A 18 4.606 22.756 -11.136 1.00 0.00 H new ATOM 0 HA HIS A 18 4.954 25.662 -10.840 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.868 23.333 -8.861 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.137 25.000 -8.390 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.328 22.686 -9.748 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.442 26.222 -8.336 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.002 23.847 -9.232 1.00 0.00 H new ATOM 283 N LYS A 19 7.454 23.663 -11.051 1.00 0.00 N ATOM 284 CA LYS A 19 8.920 23.510 -11.229 1.00 0.00 C ATOM 285 C LYS A 19 9.716 23.294 -9.927 1.00 0.00 C ATOM 286 O LYS A 19 10.536 22.381 -9.860 1.00 0.00 O ATOM 287 CB LYS A 19 9.498 24.679 -12.054 1.00 0.00 C ATOM 288 CG LYS A 19 8.840 24.784 -13.439 1.00 0.00 C ATOM 289 CD LYS A 19 9.555 25.830 -14.304 1.00 0.00 C ATOM 290 CE LYS A 19 8.872 26.038 -15.666 1.00 0.00 C ATOM 291 NZ LYS A 19 8.925 24.823 -16.522 1.00 0.00 N ATOM 0 H LYS A 19 6.951 22.871 -11.451 1.00 0.00 H new ATOM 0 HA LYS A 19 9.044 22.580 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.353 25.613 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.573 24.543 -12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.869 23.814 -13.935 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.790 25.054 -13.328 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.586 26.779 -13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.588 25.520 -14.463 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.832 26.321 -15.507 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.352 26.866 -16.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.672 25.075 -17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.887 24.428 -16.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.253 24.115 -16.162 1.00 0.00 H new ATOM 305 N VAL A 20 9.478 24.109 -8.902 1.00 0.00 N ATOM 306 CA VAL A 20 10.115 24.057 -7.576 1.00 0.00 C ATOM 307 C VAL A 20 9.024 23.795 -6.536 1.00 0.00 C ATOM 308 O VAL A 20 8.076 24.572 -6.443 1.00 0.00 O ATOM 309 CB VAL A 20 10.839 25.389 -7.257 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.576 25.300 -5.911 1.00 0.00 C ATOM 311 CG2 VAL A 20 11.844 25.799 -8.353 1.00 0.00 C ATOM 0 H VAL A 20 8.799 24.867 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 20 10.860 23.262 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 20 10.062 26.152 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.077 26.246 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.859 25.091 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.315 24.500 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.321 26.739 -8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.603 25.024 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.319 25.924 -9.300 1.00 0.00 H new ATOM 321 N VAL A 21 9.130 22.698 -5.776 1.00 0.00 N ATOM 322 CA VAL A 21 8.071 22.253 -4.849 1.00 0.00 C ATOM 323 C VAL A 21 8.659 21.833 -3.499 1.00 0.00 C ATOM 324 O VAL A 21 9.832 21.465 -3.413 1.00 0.00 O ATOM 325 CB VAL A 21 7.167 21.146 -5.455 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.720 21.479 -6.891 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.802 19.752 -5.473 1.00 0.00 C ATOM 0 H VAL A 21 9.950 22.091 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 21 7.421 23.111 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 21 6.309 21.123 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.090 20.675 -7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.156 22.412 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.597 21.586 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.103 19.040 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.716 19.776 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.039 19.447 -4.454 1.00 0.00 H new ATOM 337 N LEU A 22 7.844 21.909 -2.446 1.00 0.00 N ATOM 338 CA LEU A 22 8.251 21.665 -1.059 1.00 0.00 C ATOM 339 C LEU A 22 7.294 20.683 -0.387 1.00 0.00 C ATOM 340 O LEU A 22 6.078 20.874 -0.441 1.00 0.00 O ATOM 341 CB LEU A 22 8.275 23.021 -0.303 1.00 0.00 C ATOM 342 CG LEU A 22 9.628 23.423 0.309 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.063 22.430 1.395 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.696 23.580 -0.783 1.00 0.00 C ATOM 0 H LEU A 22 6.856 22.148 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 22 9.246 21.221 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.962 23.805 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.533 22.984 0.495 1.00 0.00 H new ATOM 0 HG LEU A 22 9.508 24.393 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.022 22.741 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.316 22.408 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.160 21.435 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.644 23.865 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.817 22.635 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.386 24.352 -1.487 1.00 0.00 H new ATOM 356 N PHE A 23 7.838 19.676 0.297 1.00 0.00 N ATOM 357 CA PHE A 23 7.071 18.752 1.129 1.00 0.00 C ATOM 358 C PHE A 23 7.377 19.060 2.598 1.00 0.00 C ATOM 359 O PHE A 23 8.516 18.926 3.041 1.00 0.00 O ATOM 360 CB PHE A 23 7.415 17.313 0.711 1.00 0.00 C ATOM 361 CG PHE A 23 7.204 17.041 -0.773 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.953 17.303 -1.366 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.262 16.571 -1.576 1.00 0.00 C ATOM 364 CE1 PHE A 23 5.770 17.138 -2.750 1.00 0.00 C ATOM 365 CE2 PHE A 23 8.074 16.388 -2.958 1.00 0.00 C ATOM 366 CZ PHE A 23 6.831 16.678 -3.550 1.00 0.00 C ATOM 0 H PHE A 23 8.838 19.478 0.288 1.00 0.00 H new ATOM 0 HA PHE A 23 5.995 18.868 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.455 17.109 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.804 16.620 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.128 17.633 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.220 16.351 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.814 17.365 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.888 16.023 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.693 16.548 -4.613 1.00 0.00 H new ATOM 376 N MET A 24 6.360 19.516 3.338 1.00 0.00 N ATOM 377 CA MET A 24 6.492 20.073 4.693 1.00 0.00 C ATOM 378 C MET A 24 5.145 20.051 5.418 1.00 0.00 C ATOM 379 O MET A 24 4.125 19.720 4.828 1.00 0.00 O ATOM 380 CB MET A 24 7.096 21.495 4.604 1.00 0.00 C ATOM 381 CG MET A 24 6.415 22.399 3.562 1.00 0.00 C ATOM 382 SD MET A 24 7.074 24.083 3.530 1.00 0.00 S ATOM 383 CE MET A 24 5.864 24.897 4.604 1.00 0.00 C ATOM 0 H MET A 24 5.396 19.509 3.004 1.00 0.00 H new ATOM 0 HA MET A 24 7.171 19.458 5.284 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.027 21.970 5.583 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.156 21.414 4.363 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.531 21.953 2.574 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.346 22.439 3.770 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.115 25.953 4.700 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.869 24.798 4.171 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.879 24.430 5.589 1.00 0.00 H new ATOM 393 N LYS A 25 5.110 20.412 6.698 1.00 0.00 N ATOM 394 CA LYS A 25 3.904 20.335 7.550 1.00 0.00 C ATOM 395 C LYS A 25 2.990 21.580 7.431 1.00 0.00 C ATOM 396 O LYS A 25 2.351 21.993 8.399 1.00 0.00 O ATOM 397 CB LYS A 25 4.346 20.038 8.998 1.00 0.00 C ATOM 398 CG LYS A 25 5.287 18.825 9.118 1.00 0.00 C ATOM 399 CD LYS A 25 5.422 18.383 10.580 1.00 0.00 C ATOM 400 CE LYS A 25 6.437 17.236 10.685 1.00 0.00 C ATOM 401 NZ LYS A 25 6.603 16.769 12.089 1.00 0.00 N ATOM 0 H LYS A 25 5.927 20.774 7.190 1.00 0.00 H new ATOM 0 HA LYS A 25 3.273 19.518 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.846 20.917 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.462 19.863 9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.903 18.000 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.269 19.080 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.744 19.223 11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.454 18.060 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.110 16.404 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.400 17.567 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.296 15.994 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.939 17.556 12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.690 16.430 12.452 1.00 0.00 H new ATOM 415 N GLY A 26 2.985 22.232 6.262 1.00 0.00 N ATOM 416 CA GLY A 26 2.243 23.474 5.977 1.00 0.00 C ATOM 417 C GLY A 26 2.195 23.816 4.485 1.00 0.00 C ATOM 418 O GLY A 26 2.857 23.160 3.679 1.00 0.00 O ATOM 0 H GLY A 26 3.516 21.900 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.225 23.377 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.706 24.299 6.518 1.00 0.00 H new ATOM 422 N THR A 27 1.412 24.838 4.128 1.00 0.00 N ATOM 423 CA THR A 27 1.260 25.353 2.753 1.00 0.00 C ATOM 424 C THR A 27 2.106 26.610 2.549 1.00 0.00 C ATOM 425 O THR A 27 2.751 27.095 3.476 1.00 0.00 O ATOM 426 CB THR A 27 -0.219 25.622 2.434 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.697 26.606 3.318 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.084 24.371 2.580 1.00 0.00 C ATOM 0 H THR A 27 0.846 25.350 4.805 1.00 0.00 H new ATOM 0 HA THR A 27 1.619 24.592 2.060 1.00 0.00 H new ATOM 0 HB THR A 27 -0.282 25.950 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.640 26.789 3.125 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.120 24.615 2.343 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.728 23.600 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.023 24.004 3.604 1.00 0.00 H new ATOM 436 N LYS A 28 2.093 27.172 1.339 1.00 0.00 N ATOM 437 CA LYS A 28 2.716 28.480 1.069 1.00 0.00 C ATOM 438 C LYS A 28 1.954 29.665 1.705 1.00 0.00 C ATOM 439 O LYS A 28 2.548 30.714 1.964 1.00 0.00 O ATOM 440 CB LYS A 28 2.918 28.649 -0.449 1.00 0.00 C ATOM 441 CG LYS A 28 1.612 28.746 -1.255 1.00 0.00 C ATOM 442 CD LYS A 28 1.906 28.826 -2.758 1.00 0.00 C ATOM 443 CE LYS A 28 0.588 28.889 -3.544 1.00 0.00 C ATOM 444 NZ LYS A 28 0.826 28.852 -5.009 1.00 0.00 N ATOM 0 H LYS A 28 1.657 26.743 0.523 1.00 0.00 H new ATOM 0 HA LYS A 28 3.692 28.494 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.509 29.548 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.500 27.806 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.986 27.878 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.050 29.626 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.511 29.707 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.486 27.958 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.049 28.052 -3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.052 29.802 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.083 28.759 -5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.296 29.731 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.432 28.040 -5.242 1.00 0.00 H new ATOM 458 N ASP A 29 0.654 29.494 1.980 1.00 0.00 N ATOM 459 CA ASP A 29 -0.191 30.463 2.693 1.00 0.00 C ATOM 460 C ASP A 29 -0.079 30.325 4.224 1.00 0.00 C ATOM 461 O ASP A 29 -0.203 31.318 4.944 1.00 0.00 O ATOM 462 CB ASP A 29 -1.652 30.270 2.259 1.00 0.00 C ATOM 463 CG ASP A 29 -1.878 30.632 0.783 1.00 0.00 C ATOM 464 OD1 ASP A 29 -1.910 31.843 0.460 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.045 29.704 -0.044 1.00 0.00 O ATOM 0 H ASP A 29 0.146 28.653 1.705 1.00 0.00 H new ATOM 0 HA ASP A 29 0.156 31.463 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.943 29.233 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.298 30.886 2.884 1.00 0.00 H new ATOM 470 N PHE A 30 0.184 29.106 4.715 1.00 0.00 N ATOM 471 CA PHE A 30 0.389 28.782 6.128 1.00 0.00 C ATOM 472 C PHE A 30 1.656 27.911 6.302 1.00 0.00 C ATOM 473 O PHE A 30 1.550 26.692 6.494 1.00 0.00 O ATOM 474 CB PHE A 30 -0.891 28.120 6.675 1.00 0.00 C ATOM 475 CG PHE A 30 -0.851 27.816 8.162 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.838 28.867 9.099 1.00 0.00 C ATOM 477 CD2 PHE A 30 -0.834 26.480 8.614 1.00 0.00 C ATOM 478 CE1 PHE A 30 -0.799 28.584 10.477 1.00 0.00 C ATOM 479 CE2 PHE A 30 -0.795 26.198 9.991 1.00 0.00 C ATOM 480 CZ PHE A 30 -0.777 27.251 10.924 1.00 0.00 C ATOM 0 H PHE A 30 0.262 28.287 4.111 1.00 0.00 H new ATOM 0 HA PHE A 30 0.567 29.686 6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.739 28.774 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.067 27.192 6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.858 29.892 8.760 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.851 25.670 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.786 29.393 11.193 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.779 25.173 10.332 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.746 27.036 11.982 1.00 0.00 H new ATOM 490 N PRO A 31 2.861 28.516 6.215 1.00 0.00 N ATOM 491 CA PRO A 31 4.128 27.827 6.442 1.00 0.00 C ATOM 492 C PRO A 31 4.362 27.583 7.944 1.00 0.00 C ATOM 493 O PRO A 31 3.607 28.063 8.793 1.00 0.00 O ATOM 494 CB PRO A 31 5.194 28.740 5.821 1.00 0.00 C ATOM 495 CG PRO A 31 4.608 30.134 6.035 1.00 0.00 C ATOM 496 CD PRO A 31 3.110 29.909 5.854 1.00 0.00 C ATOM 0 HA PRO A 31 4.151 26.836 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.160 28.627 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.347 28.523 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.841 30.522 7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.998 30.851 5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.535 30.584 6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.808 30.104 4.825 1.00 0.00 H new ATOM 504 N GLN A 32 5.423 26.835 8.271 1.00 0.00 N ATOM 505 CA GLN A 32 5.806 26.522 9.651 1.00 0.00 C ATOM 506 C GLN A 32 7.130 27.209 10.017 1.00 0.00 C ATOM 507 O GLN A 32 8.088 27.194 9.239 1.00 0.00 O ATOM 508 CB GLN A 32 5.914 24.995 9.832 1.00 0.00 C ATOM 509 CG GLN A 32 4.589 24.239 9.606 1.00 0.00 C ATOM 510 CD GLN A 32 3.504 24.511 10.662 1.00 0.00 C ATOM 511 OE1 GLN A 32 3.666 25.272 11.609 1.00 0.00 O ATOM 512 NE2 GLN A 32 2.354 23.874 10.553 1.00 0.00 N ATOM 0 H GLN A 32 6.047 26.426 7.575 1.00 0.00 H new ATOM 0 HA GLN A 32 5.036 26.901 10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.662 24.610 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.273 24.784 10.839 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.197 24.507 8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.796 23.169 9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.196 23.236 9.773 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.622 24.020 11.249 1.00 0.00 H new ATOM 521 N CYS A 33 7.190 27.796 11.215 1.00 0.00 N ATOM 522 CA CYS A 33 8.343 28.562 11.707 1.00 0.00 C ATOM 523 C CYS A 33 9.610 27.696 11.867 1.00 0.00 C ATOM 524 O CYS A 33 9.539 26.499 12.174 1.00 0.00 O ATOM 525 CB CYS A 33 7.962 29.256 13.027 1.00 0.00 C ATOM 526 SG CYS A 33 6.576 30.404 12.750 1.00 0.00 S ATOM 0 H CYS A 33 6.423 27.752 11.886 1.00 0.00 H new ATOM 0 HA CYS A 33 8.595 29.315 10.960 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.684 28.511 13.772 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.820 29.798 13.423 1.00 0.00 H new ATOM 0 HG CYS A 33 6.261 30.983 13.871 1.00 0.00 H new ATOM 532 N GLY A 34 10.783 28.316 11.693 1.00 0.00 N ATOM 533 CA GLY A 34 12.088 27.649 11.783 1.00 0.00 C ATOM 534 C GLY A 34 12.505 27.051 10.442 1.00 0.00 C ATOM 535 O GLY A 34 12.789 27.797 9.507 1.00 0.00 O ATOM 0 H GLY A 34 10.854 29.311 11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.841 28.364 12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.044 26.862 12.536 1.00 0.00 H new ATOM 539 N PHE A 35 12.576 25.720 10.347 1.00 0.00 N ATOM 540 CA PHE A 35 13.136 24.994 9.201 1.00 0.00 C ATOM 541 C PHE A 35 12.403 25.289 7.886 1.00 0.00 C ATOM 542 O PHE A 35 13.005 25.775 6.931 1.00 0.00 O ATOM 543 CB PHE A 35 13.137 23.486 9.522 1.00 0.00 C ATOM 544 CG PHE A 35 13.899 23.110 10.784 1.00 0.00 C ATOM 545 CD1 PHE A 35 15.288 23.328 10.866 1.00 0.00 C ATOM 546 CD2 PHE A 35 13.216 22.552 11.882 1.00 0.00 C ATOM 547 CE1 PHE A 35 15.990 22.989 12.037 1.00 0.00 C ATOM 548 CE2 PHE A 35 13.918 22.211 13.053 1.00 0.00 C ATOM 549 CZ PHE A 35 15.305 22.429 13.129 1.00 0.00 C ATOM 0 H PHE A 35 12.237 25.101 11.083 1.00 0.00 H new ATOM 0 HA PHE A 35 14.158 25.340 9.044 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.106 23.148 9.621 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.569 22.948 8.678 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.816 23.757 10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 35 12.150 22.385 11.825 1.00 0.00 H new ATOM 0 HE1 PHE A 35 17.055 23.159 12.097 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.392 21.782 13.893 1.00 0.00 H new ATOM 0 HZ PHE A 35 15.844 22.166 14.027 1.00 0.00 H new ATOM 559 N SER A 36 11.091 25.053 7.833 1.00 0.00 N ATOM 560 CA SER A 36 10.283 25.238 6.617 1.00 0.00 C ATOM 561 C SER A 36 10.284 26.707 6.161 1.00 0.00 C ATOM 562 O SER A 36 10.592 26.994 5.001 1.00 0.00 O ATOM 563 CB SER A 36 8.853 24.743 6.870 1.00 0.00 C ATOM 564 OG SER A 36 8.874 23.458 7.470 1.00 0.00 O ATOM 0 H SER A 36 10.552 24.726 8.635 1.00 0.00 H new ATOM 0 HA SER A 36 10.726 24.651 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.327 25.445 7.517 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.303 24.703 5.930 1.00 0.00 H new ATOM 0 HG SER A 36 7.955 23.155 7.627 1.00 0.00 H new ATOM 570 N GLN A 37 10.073 27.639 7.101 1.00 0.00 N ATOM 571 CA GLN A 37 10.195 29.091 6.906 1.00 0.00 C ATOM 572 C GLN A 37 11.556 29.461 6.289 1.00 0.00 C ATOM 573 O GLN A 37 11.591 30.169 5.284 1.00 0.00 O ATOM 574 CB GLN A 37 10.000 29.753 8.284 1.00 0.00 C ATOM 575 CG GLN A 37 10.194 31.280 8.318 1.00 0.00 C ATOM 576 CD GLN A 37 10.079 31.851 9.739 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.336 31.187 10.738 1.00 0.00 O ATOM 578 NE2 GLN A 37 9.689 33.102 9.891 1.00 0.00 N ATOM 0 H GLN A 37 9.803 27.393 8.053 1.00 0.00 H new ATOM 0 HA GLN A 37 9.440 29.447 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.995 29.524 8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.698 29.300 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.172 31.529 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.450 31.753 7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.471 33.671 9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.606 33.500 10.826 1.00 0.00 H new ATOM 587 N THR A 38 12.658 28.918 6.830 1.00 0.00 N ATOM 588 CA THR A 38 14.020 29.125 6.313 1.00 0.00 C ATOM 589 C THR A 38 14.138 28.594 4.889 1.00 0.00 C ATOM 590 O THR A 38 14.552 29.333 4.003 1.00 0.00 O ATOM 591 CB THR A 38 15.072 28.503 7.245 1.00 0.00 C ATOM 592 OG1 THR A 38 14.977 29.126 8.505 1.00 0.00 O ATOM 593 CG2 THR A 38 16.501 28.709 6.738 1.00 0.00 C ATOM 0 H THR A 38 12.627 28.314 7.651 1.00 0.00 H new ATOM 0 HA THR A 38 14.216 30.197 6.285 1.00 0.00 H new ATOM 0 HB THR A 38 14.874 27.432 7.292 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.200 28.773 8.987 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.204 28.250 7.434 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.609 28.248 5.756 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.710 29.776 6.662 1.00 0.00 H new ATOM 601 N VAL A 39 13.712 27.354 4.644 1.00 0.00 N ATOM 602 CA VAL A 39 13.764 26.736 3.305 1.00 0.00 C ATOM 603 C VAL A 39 12.961 27.539 2.268 1.00 0.00 C ATOM 604 O VAL A 39 13.495 27.823 1.193 1.00 0.00 O ATOM 605 CB VAL A 39 13.323 25.254 3.332 1.00 0.00 C ATOM 606 CG1 VAL A 39 13.171 24.666 1.921 1.00 0.00 C ATOM 607 CG2 VAL A 39 14.355 24.404 4.084 1.00 0.00 C ATOM 0 H VAL A 39 13.321 26.745 5.363 1.00 0.00 H new ATOM 0 HA VAL A 39 14.809 26.758 2.994 1.00 0.00 H new ATOM 0 HB VAL A 39 12.356 25.230 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.860 23.624 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.420 25.232 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.125 24.725 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.031 23.363 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 39 15.321 24.478 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.448 24.766 5.108 1.00 0.00 H new ATOM 617 N VAL A 40 11.715 27.940 2.564 1.00 0.00 N ATOM 618 CA VAL A 40 10.917 28.705 1.596 1.00 0.00 C ATOM 619 C VAL A 40 11.446 30.131 1.412 1.00 0.00 C ATOM 620 O VAL A 40 11.439 30.625 0.288 1.00 0.00 O ATOM 621 CB VAL A 40 9.407 28.715 1.906 1.00 0.00 C ATOM 622 CG1 VAL A 40 8.827 27.291 1.926 1.00 0.00 C ATOM 623 CG2 VAL A 40 8.991 29.486 3.166 1.00 0.00 C ATOM 0 H VAL A 40 11.246 27.751 3.450 1.00 0.00 H new ATOM 0 HA VAL A 40 11.033 28.173 0.652 1.00 0.00 H new ATOM 0 HB VAL A 40 8.974 29.277 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.761 27.336 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.976 26.824 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.332 26.703 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.909 29.428 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.478 29.049 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.289 30.530 3.069 1.00 0.00 H new ATOM 633 N GLN A 41 11.961 30.776 2.471 1.00 0.00 N ATOM 634 CA GLN A 41 12.592 32.095 2.376 1.00 0.00 C ATOM 635 C GLN A 41 13.873 32.048 1.531 1.00 0.00 C ATOM 636 O GLN A 41 14.104 32.964 0.744 1.00 0.00 O ATOM 637 CB GLN A 41 12.862 32.638 3.791 1.00 0.00 C ATOM 638 CG GLN A 41 13.567 34.011 3.834 1.00 0.00 C ATOM 639 CD GLN A 41 12.812 35.162 3.161 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.642 35.081 2.803 1.00 0.00 O ATOM 641 NE2 GLN A 41 13.457 36.296 2.966 1.00 0.00 N ATOM 0 H GLN A 41 11.950 30.394 3.417 1.00 0.00 H new ATOM 0 HA GLN A 41 11.910 32.775 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.913 32.716 4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.472 31.915 4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.744 34.276 4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.543 33.913 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.431 36.385 3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.982 37.084 2.525 1.00 0.00 H new ATOM 650 N ILE A 42 14.679 30.985 1.640 1.00 0.00 N ATOM 651 CA ILE A 42 15.881 30.788 0.812 1.00 0.00 C ATOM 652 C ILE A 42 15.516 30.736 -0.673 1.00 0.00 C ATOM 653 O ILE A 42 16.079 31.508 -1.439 1.00 0.00 O ATOM 654 CB ILE A 42 16.679 29.549 1.293 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.475 29.935 2.562 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.633 29.014 0.207 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.121 28.748 3.283 1.00 0.00 C ATOM 0 H ILE A 42 14.517 30.232 2.308 1.00 0.00 H new ATOM 0 HA ILE A 42 16.543 31.646 0.932 1.00 0.00 H new ATOM 0 HB ILE A 42 15.973 28.749 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.254 30.646 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.807 30.447 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.170 28.146 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.058 28.725 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.347 29.791 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.659 29.105 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.347 28.045 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.817 28.248 2.609 1.00 0.00 H new ATOM 669 N LEU A 43 14.553 29.902 -1.088 1.00 0.00 N ATOM 670 CA LEU A 43 14.111 29.829 -2.491 1.00 0.00 C ATOM 671 C LEU A 43 13.580 31.179 -2.990 1.00 0.00 C ATOM 672 O LEU A 43 14.026 31.706 -4.014 1.00 0.00 O ATOM 673 CB LEU A 43 13.022 28.748 -2.617 1.00 0.00 C ATOM 674 CG LEU A 43 13.552 27.301 -2.550 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.350 26.353 -2.470 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.424 26.981 -3.773 1.00 0.00 C ATOM 0 H LEU A 43 14.060 29.261 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 43 14.969 29.570 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.291 28.892 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.497 28.887 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 43 14.179 27.176 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.702 25.323 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.767 26.579 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.725 26.482 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 43 14.786 25.955 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.833 27.096 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.273 27.664 -3.803 1.00 0.00 H new ATOM 688 N LYS A 44 12.658 31.767 -2.226 1.00 0.00 N ATOM 689 CA LYS A 44 12.056 33.065 -2.514 1.00 0.00 C ATOM 690 C LYS A 44 13.144 34.122 -2.776 1.00 0.00 C ATOM 691 O LYS A 44 13.248 34.618 -3.899 1.00 0.00 O ATOM 692 CB LYS A 44 11.109 33.387 -1.344 1.00 0.00 C ATOM 693 CG LYS A 44 10.183 34.585 -1.576 1.00 0.00 C ATOM 694 CD LYS A 44 9.217 34.686 -0.382 1.00 0.00 C ATOM 695 CE LYS A 44 8.098 35.720 -0.573 1.00 0.00 C ATOM 696 NZ LYS A 44 8.595 37.125 -0.565 1.00 0.00 N ATOM 0 H LYS A 44 12.302 31.342 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 44 11.468 33.057 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.498 32.508 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.707 33.576 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.765 35.502 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.627 34.461 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.769 33.708 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.786 34.941 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.589 35.526 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.359 35.598 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.796 37.777 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.057 37.325 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.280 37.255 -1.337 1.00 0.00 H new ATOM 710 N SER A 45 14.002 34.372 -1.777 1.00 0.00 N ATOM 711 CA SER A 45 15.091 35.369 -1.796 1.00 0.00 C ATOM 712 C SER A 45 16.256 35.054 -2.759 1.00 0.00 C ATOM 713 O SER A 45 16.878 35.992 -3.269 1.00 0.00 O ATOM 714 CB SER A 45 15.625 35.618 -0.376 1.00 0.00 C ATOM 715 OG SER A 45 16.215 34.465 0.208 1.00 0.00 O ATOM 0 H SER A 45 13.957 33.865 -0.893 1.00 0.00 H new ATOM 0 HA SER A 45 14.631 36.275 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.363 36.420 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.808 35.961 0.258 1.00 0.00 H new ATOM 0 HG SER A 45 15.534 33.965 0.705 1.00 0.00 H new ATOM 721 N LEU A 46 16.523 33.774 -3.064 1.00 0.00 N ATOM 722 CA LEU A 46 17.448 33.350 -4.128 1.00 0.00 C ATOM 723 C LEU A 46 16.983 33.914 -5.481 1.00 0.00 C ATOM 724 O LEU A 46 17.819 34.234 -6.326 1.00 0.00 O ATOM 725 CB LEU A 46 17.512 31.806 -4.122 1.00 0.00 C ATOM 726 CG LEU A 46 18.214 31.128 -5.312 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.700 31.489 -5.386 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.050 29.603 -5.185 1.00 0.00 C ATOM 0 H LEU A 46 16.095 32.991 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 46 18.452 33.739 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.017 31.492 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.492 31.426 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 46 17.750 31.486 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.154 30.988 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.807 32.568 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.198 31.169 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.544 29.113 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.500 29.265 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.990 29.349 -5.190 1.00 0.00 H new ATOM 740 N ASN A 47 15.657 34.040 -5.636 1.00 0.00 N ATOM 741 CA ASN A 47 14.871 34.719 -6.683 1.00 0.00 C ATOM 742 C ASN A 47 14.066 33.676 -7.471 1.00 0.00 C ATOM 743 O ASN A 47 14.222 33.532 -8.689 1.00 0.00 O ATOM 744 CB ASN A 47 15.679 35.689 -7.576 1.00 0.00 C ATOM 745 CG ASN A 47 14.792 36.562 -8.468 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.594 36.716 -8.256 1.00 0.00 O ATOM 747 ND2 ASN A 47 15.364 37.173 -9.493 1.00 0.00 N ATOM 0 H ASN A 47 15.033 33.618 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 47 14.174 35.392 -6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.292 36.331 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.361 35.114 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.809 37.771 -10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.360 37.046 -9.671 1.00 0.00 H new ATOM 754 N ALA A 48 13.246 32.898 -6.753 1.00 0.00 N ATOM 755 CA ALA A 48 12.579 31.719 -7.329 1.00 0.00 C ATOM 756 C ALA A 48 11.196 31.417 -6.708 1.00 0.00 C ATOM 757 O ALA A 48 10.974 31.744 -5.536 1.00 0.00 O ATOM 758 CB ALA A 48 13.519 30.506 -7.198 1.00 0.00 C ATOM 0 H ALA A 48 13.027 33.063 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 48 12.377 31.936 -8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.037 29.625 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.447 30.705 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.740 30.329 -6.145 1.00 0.00 H new ATOM 764 N PRO A 49 10.277 30.775 -7.467 1.00 0.00 N ATOM 765 CA PRO A 49 9.022 30.242 -6.943 1.00 0.00 C ATOM 766 C PRO A 49 9.247 29.097 -5.948 1.00 0.00 C ATOM 767 O PRO A 49 10.334 28.521 -5.866 1.00 0.00 O ATOM 768 CB PRO A 49 8.232 29.720 -8.153 1.00 0.00 C ATOM 769 CG PRO A 49 8.886 30.395 -9.352 1.00 0.00 C ATOM 770 CD PRO A 49 10.336 30.546 -8.906 1.00 0.00 C ATOM 0 HA PRO A 49 8.489 31.025 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.291 28.634 -8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.176 29.978 -8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.801 29.788 -10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.428 31.359 -9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.914 29.651 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.819 31.379 -9.417 1.00 0.00 H new ATOM 778 N PHE A 50 8.173 28.722 -5.251 1.00 0.00 N ATOM 779 CA PHE A 50 8.084 27.533 -4.407 1.00 0.00 C ATOM 780 C PHE A 50 6.608 27.131 -4.236 1.00 0.00 C ATOM 781 O PHE A 50 5.740 27.994 -4.093 1.00 0.00 O ATOM 782 CB PHE A 50 8.792 27.767 -3.054 1.00 0.00 C ATOM 783 CG PHE A 50 8.050 28.662 -2.079 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.195 30.060 -2.143 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.197 28.091 -1.117 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.483 30.883 -1.252 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.493 28.911 -0.221 1.00 0.00 C ATOM 788 CZ PHE A 50 6.633 30.310 -0.289 1.00 0.00 C ATOM 0 H PHE A 50 7.307 29.261 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 50 8.602 26.704 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.960 26.801 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.773 28.202 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.853 30.501 -2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.083 27.018 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.589 31.956 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.844 28.469 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.089 30.942 0.397 1.00 0.00 H new ATOM 798 N GLU A 51 6.317 25.826 -4.242 1.00 0.00 N ATOM 799 CA GLU A 51 4.967 25.291 -4.029 1.00 0.00 C ATOM 800 C GLU A 51 4.981 24.300 -2.858 1.00 0.00 C ATOM 801 O GLU A 51 5.285 23.120 -3.019 1.00 0.00 O ATOM 802 CB GLU A 51 4.453 24.658 -5.331 1.00 0.00 C ATOM 803 CG GLU A 51 2.971 24.258 -5.274 1.00 0.00 C ATOM 804 CD GLU A 51 2.034 25.453 -5.034 1.00 0.00 C ATOM 805 OE1 GLU A 51 2.241 26.533 -5.637 1.00 0.00 O ATOM 806 OE2 GLU A 51 1.078 25.319 -4.235 1.00 0.00 O ATOM 0 H GLU A 51 7.020 25.103 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 51 4.279 26.094 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.600 25.361 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.051 23.775 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.696 23.770 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.828 23.526 -4.479 1.00 0.00 H new ATOM 813 N SER A 52 4.683 24.789 -1.655 1.00 0.00 N ATOM 814 CA SER A 52 4.654 23.949 -0.455 1.00 0.00 C ATOM 815 C SER A 52 3.356 23.129 -0.362 1.00 0.00 C ATOM 816 O SER A 52 2.267 23.684 -0.201 1.00 0.00 O ATOM 817 CB SER A 52 4.839 24.792 0.807 1.00 0.00 C ATOM 818 OG SER A 52 6.099 25.435 0.772 1.00 0.00 O ATOM 0 H SER A 52 4.457 25.769 -1.484 1.00 0.00 H new ATOM 0 HA SER A 52 5.486 23.249 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.044 25.534 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.767 24.160 1.692 1.00 0.00 H new ATOM 0 HG SER A 52 6.622 25.172 1.558 1.00 0.00 H new ATOM 824 N VAL A 53 3.485 21.802 -0.428 1.00 0.00 N ATOM 825 CA VAL A 53 2.412 20.824 -0.219 1.00 0.00 C ATOM 826 C VAL A 53 2.442 20.374 1.246 1.00 0.00 C ATOM 827 O VAL A 53 3.477 19.915 1.735 1.00 0.00 O ATOM 828 CB VAL A 53 2.586 19.615 -1.168 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.500 18.551 -0.945 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.566 20.043 -2.646 1.00 0.00 C ATOM 0 H VAL A 53 4.379 21.359 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 53 1.447 21.280 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 53 3.560 19.185 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.659 17.719 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.551 18.189 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.519 18.989 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.691 19.166 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.614 20.522 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.379 20.745 -2.833 1.00 0.00 H new ATOM 840 N ASN A 54 1.304 20.497 1.939 1.00 0.00 N ATOM 841 CA ASN A 54 1.175 20.120 3.347 1.00 0.00 C ATOM 842 C ASN A 54 1.035 18.598 3.518 1.00 0.00 C ATOM 843 O ASN A 54 -0.029 18.031 3.270 1.00 0.00 O ATOM 844 CB ASN A 54 -0.010 20.869 3.990 1.00 0.00 C ATOM 845 CG ASN A 54 -0.150 20.573 5.483 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.678 19.911 6.097 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.212 21.044 6.108 1.00 0.00 N ATOM 0 H ASN A 54 0.443 20.863 1.534 1.00 0.00 H new ATOM 0 HA ASN A 54 2.090 20.412 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.122 21.941 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.932 20.590 3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.343 20.857 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.902 21.595 5.597 1.00 0.00 H new ATOM 854 N ILE A 55 2.077 17.927 4.016 1.00 0.00 N ATOM 855 CA ILE A 55 2.082 16.458 4.209 1.00 0.00 C ATOM 856 C ILE A 55 1.114 15.969 5.298 1.00 0.00 C ATOM 857 O ILE A 55 0.636 14.839 5.234 1.00 0.00 O ATOM 858 CB ILE A 55 3.519 15.934 4.436 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.226 16.524 5.679 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.364 16.179 3.175 1.00 0.00 C ATOM 861 CD1 ILE A 55 4.856 15.440 6.556 1.00 0.00 C ATOM 0 H ILE A 55 2.946 18.379 4.300 1.00 0.00 H new ATOM 0 HA ILE A 55 1.703 16.030 3.281 1.00 0.00 H new ATOM 0 HB ILE A 55 3.425 14.866 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.998 17.223 5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.506 17.093 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.376 15.809 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.917 15.655 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.398 17.247 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.340 15.903 7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.081 14.755 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.596 14.888 5.977 1.00 0.00 H new ATOM 873 N LEU A 56 0.745 16.817 6.262 1.00 0.00 N ATOM 874 CA LEU A 56 -0.232 16.473 7.309 1.00 0.00 C ATOM 875 C LEU A 56 -1.685 16.455 6.790 1.00 0.00 C ATOM 876 O LEU A 56 -2.557 15.922 7.475 1.00 0.00 O ATOM 877 CB LEU A 56 -0.037 17.412 8.521 1.00 0.00 C ATOM 878 CG LEU A 56 0.912 16.851 9.600 1.00 0.00 C ATOM 879 CD1 LEU A 56 2.309 16.549 9.043 1.00 0.00 C ATOM 880 CD2 LEU A 56 1.021 17.849 10.757 1.00 0.00 C ATOM 0 H LEU A 56 1.114 17.765 6.342 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.044 15.450 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.353 18.367 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.008 17.612 8.974 1.00 0.00 H new ATOM 0 HG LEU A 56 0.490 15.910 9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.941 16.156 9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.231 15.811 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.749 17.465 8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.692 17.451 11.519 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.414 18.795 10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.035 18.012 11.191 1.00 0.00 H new ATOM 892 N GLU A 57 -1.944 16.957 5.577 1.00 0.00 N ATOM 893 CA GLU A 57 -3.278 16.969 4.964 1.00 0.00 C ATOM 894 C GLU A 57 -3.771 15.561 4.560 1.00 0.00 C ATOM 895 O GLU A 57 -4.979 15.316 4.572 1.00 0.00 O ATOM 896 CB GLU A 57 -3.253 17.916 3.751 1.00 0.00 C ATOM 897 CG GLU A 57 -4.652 18.255 3.224 1.00 0.00 C ATOM 898 CD GLU A 57 -4.583 19.315 2.117 1.00 0.00 C ATOM 899 OE1 GLU A 57 -4.561 20.527 2.438 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.562 18.943 0.918 1.00 0.00 O ATOM 0 H GLU A 57 -1.224 17.372 4.986 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.991 17.326 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.742 18.838 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.671 17.457 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.127 17.353 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.274 18.619 4.042 1.00 0.00 H new ATOM 907 N ASN A 58 -2.863 14.625 4.227 1.00 0.00 N ATOM 908 CA ASN A 58 -3.228 13.299 3.698 1.00 0.00 C ATOM 909 C ASN A 58 -2.147 12.234 3.983 1.00 0.00 C ATOM 910 O ASN A 58 -0.961 12.467 3.763 1.00 0.00 O ATOM 911 CB ASN A 58 -3.516 13.446 2.186 1.00 0.00 C ATOM 912 CG ASN A 58 -4.188 12.235 1.535 1.00 0.00 C ATOM 913 OD1 ASN A 58 -4.215 11.134 2.069 1.00 0.00 O ATOM 914 ND2 ASN A 58 -4.732 12.401 0.344 1.00 0.00 N ATOM 0 H ASN A 58 -1.857 14.767 4.317 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.122 12.941 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.151 14.319 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.576 13.642 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.174 11.613 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.711 13.318 -0.103 1.00 0.00 H new ATOM 921 N GLU A 59 -2.552 11.038 4.426 1.00 0.00 N ATOM 922 CA GLU A 59 -1.661 9.890 4.663 1.00 0.00 C ATOM 923 C GLU A 59 -0.946 9.449 3.372 1.00 0.00 C ATOM 924 O GLU A 59 0.226 9.080 3.412 1.00 0.00 O ATOM 925 CB GLU A 59 -2.504 8.746 5.258 1.00 0.00 C ATOM 926 CG GLU A 59 -1.692 7.572 5.821 1.00 0.00 C ATOM 927 CD GLU A 59 -0.922 7.953 7.096 1.00 0.00 C ATOM 928 OE1 GLU A 59 -1.561 8.064 8.171 1.00 0.00 O ATOM 929 OE2 GLU A 59 0.318 8.124 7.036 1.00 0.00 O ATOM 0 H GLU A 59 -3.529 10.834 4.635 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.875 10.175 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.130 9.151 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.174 8.368 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.363 6.741 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.988 7.224 5.065 1.00 0.00 H new ATOM 936 N LEU A 60 -1.607 9.559 2.210 1.00 0.00 N ATOM 937 CA LEU A 60 -1.032 9.219 0.901 1.00 0.00 C ATOM 938 C LEU A 60 0.179 10.095 0.538 1.00 0.00 C ATOM 939 O LEU A 60 1.055 9.629 -0.188 1.00 0.00 O ATOM 940 CB LEU A 60 -2.134 9.288 -0.185 1.00 0.00 C ATOM 941 CG LEU A 60 -2.990 8.015 -0.381 1.00 0.00 C ATOM 942 CD1 LEU A 60 -2.161 6.866 -0.978 1.00 0.00 C ATOM 943 CD2 LEU A 60 -3.692 7.548 0.901 1.00 0.00 C ATOM 0 H LEU A 60 -2.570 9.891 2.153 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.651 8.199 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.802 10.114 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.661 9.531 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.771 8.296 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.794 5.987 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.765 7.168 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.335 6.627 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.275 6.651 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.946 7.326 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.355 8.335 1.260 1.00 0.00 H new ATOM 955 N LEU A 61 0.275 11.321 1.071 1.00 0.00 N ATOM 956 CA LEU A 61 1.488 12.143 0.966 1.00 0.00 C ATOM 957 C LEU A 61 2.577 11.567 1.881 1.00 0.00 C ATOM 958 O LEU A 61 3.635 11.181 1.396 1.00 0.00 O ATOM 959 CB LEU A 61 1.168 13.616 1.313 1.00 0.00 C ATOM 960 CG LEU A 61 0.289 14.343 0.276 1.00 0.00 C ATOM 961 CD1 LEU A 61 -0.252 15.641 0.886 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.079 14.678 -1.002 1.00 0.00 C ATOM 0 H LEU A 61 -0.483 11.769 1.585 1.00 0.00 H new ATOM 0 HA LEU A 61 1.859 12.123 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.667 13.647 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.105 14.162 1.422 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.531 13.677 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.874 16.156 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.848 15.408 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.581 16.284 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.427 15.190 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.920 15.324 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.451 13.757 -1.452 1.00 0.00 H new ATOM 974 N ARG A 62 2.298 11.424 3.182 1.00 0.00 N ATOM 975 CA ARG A 62 3.255 10.915 4.183 1.00 0.00 C ATOM 976 C ARG A 62 3.850 9.539 3.841 1.00 0.00 C ATOM 977 O ARG A 62 5.043 9.323 4.058 1.00 0.00 O ATOM 978 CB ARG A 62 2.571 10.877 5.561 1.00 0.00 C ATOM 979 CG ARG A 62 2.680 12.250 6.239 1.00 0.00 C ATOM 980 CD ARG A 62 1.769 12.370 7.463 1.00 0.00 C ATOM 981 NE ARG A 62 0.371 12.647 7.071 1.00 0.00 N ATOM 982 CZ ARG A 62 -0.726 12.139 7.624 1.00 0.00 C ATOM 983 NH1 ARG A 62 -0.679 11.112 8.442 1.00 0.00 N ATOM 984 NH2 ARG A 62 -1.901 12.667 7.364 1.00 0.00 N ATOM 0 H ARG A 62 1.389 11.661 3.579 1.00 0.00 H new ATOM 0 HA ARG A 62 4.100 11.603 4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.523 10.600 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.037 10.115 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.713 12.422 6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.423 13.028 5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.810 11.447 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.131 13.168 8.111 1.00 0.00 H new ATOM 0 HE ARG A 62 0.234 13.295 6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.217 10.681 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.539 10.745 8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.973 13.468 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.741 12.276 7.789 1.00 0.00 H new ATOM 998 N GLN A 63 3.047 8.618 3.300 1.00 0.00 N ATOM 999 CA GLN A 63 3.515 7.278 2.913 1.00 0.00 C ATOM 1000 C GLN A 63 4.095 7.245 1.486 1.00 0.00 C ATOM 1001 O GLN A 63 5.080 6.543 1.245 1.00 0.00 O ATOM 1002 CB GLN A 63 2.362 6.267 3.049 1.00 0.00 C ATOM 1003 CG GLN A 63 1.757 6.181 4.462 1.00 0.00 C ATOM 1004 CD GLN A 63 2.765 5.897 5.580 1.00 0.00 C ATOM 1005 OE1 GLN A 63 3.732 5.161 5.429 1.00 0.00 O ATOM 1006 NE2 GLN A 63 2.582 6.482 6.745 1.00 0.00 N ATOM 0 H GLN A 63 2.056 8.777 3.117 1.00 0.00 H new ATOM 0 HA GLN A 63 4.326 7.005 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.574 6.535 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.724 5.280 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.249 7.120 4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.998 5.398 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.781 7.098 6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.241 6.319 7.506 1.00 0.00 H new ATOM 1015 N GLY A 64 3.517 8.003 0.542 1.00 0.00 N ATOM 1016 CA GLY A 64 3.893 7.961 -0.876 1.00 0.00 C ATOM 1017 C GLY A 64 5.156 8.757 -1.200 1.00 0.00 C ATOM 1018 O GLY A 64 5.961 8.303 -2.009 1.00 0.00 O ATOM 0 H GLY A 64 2.770 8.667 0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.042 6.923 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.067 8.348 -1.473 1.00 0.00 H new ATOM 1022 N LEU A 65 5.361 9.917 -0.565 1.00 0.00 N ATOM 1023 CA LEU A 65 6.499 10.806 -0.842 1.00 0.00 C ATOM 1024 C LEU A 65 7.847 10.173 -0.499 1.00 0.00 C ATOM 1025 O LEU A 65 8.792 10.302 -1.273 1.00 0.00 O ATOM 1026 CB LEU A 65 6.320 12.132 -0.084 1.00 0.00 C ATOM 1027 CG LEU A 65 5.263 13.057 -0.714 1.00 0.00 C ATOM 1028 CD1 LEU A 65 4.941 14.192 0.259 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.778 13.651 -2.029 1.00 0.00 C ATOM 0 H LEU A 65 4.738 10.269 0.162 1.00 0.00 H new ATOM 0 HA LEU A 65 6.509 10.992 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.037 11.918 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.276 12.655 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 65 4.366 12.473 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.193 14.849 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.554 13.775 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.847 14.761 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.016 14.302 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.682 14.229 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.003 12.846 -2.728 1.00 0.00 H new ATOM 1041 N LYS A 66 7.930 9.430 0.611 1.00 0.00 N ATOM 1042 CA LYS A 66 9.158 8.727 1.015 1.00 0.00 C ATOM 1043 C LYS A 66 9.629 7.727 -0.061 1.00 0.00 C ATOM 1044 O LYS A 66 10.828 7.610 -0.308 1.00 0.00 O ATOM 1045 CB LYS A 66 8.922 8.033 2.370 1.00 0.00 C ATOM 1046 CG LYS A 66 8.715 9.039 3.522 1.00 0.00 C ATOM 1047 CD LYS A 66 8.330 8.365 4.848 1.00 0.00 C ATOM 1048 CE LYS A 66 9.394 7.379 5.362 1.00 0.00 C ATOM 1049 NZ LYS A 66 9.032 6.817 6.693 1.00 0.00 N ATOM 0 H LYS A 66 7.150 9.298 1.255 1.00 0.00 H new ATOM 0 HA LYS A 66 9.960 9.457 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.048 7.386 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.774 7.393 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.631 9.612 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.936 9.748 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.162 9.133 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.387 7.835 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.513 6.567 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.356 7.886 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.773 6.158 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.943 7.590 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.126 6.311 6.621 1.00 0.00 H new ATOM 1063 N GLU A 67 8.693 7.047 -0.732 1.00 0.00 N ATOM 1064 CA GLU A 67 8.978 6.162 -1.871 1.00 0.00 C ATOM 1065 C GLU A 67 9.265 6.964 -3.164 1.00 0.00 C ATOM 1066 O GLU A 67 10.194 6.633 -3.900 1.00 0.00 O ATOM 1067 CB GLU A 67 7.787 5.205 -2.046 1.00 0.00 C ATOM 1068 CG GLU A 67 8.012 4.088 -3.071 1.00 0.00 C ATOM 1069 CD GLU A 67 9.074 3.079 -2.605 1.00 0.00 C ATOM 1070 OE1 GLU A 67 8.795 2.287 -1.675 1.00 0.00 O ATOM 1071 OE2 GLU A 67 10.194 3.060 -3.171 1.00 0.00 O ATOM 0 H GLU A 67 7.702 7.095 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 67 9.882 5.587 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.555 4.754 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.913 5.784 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.072 3.567 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.320 4.525 -4.021 1.00 0.00 H new ATOM 1078 N TYR A 68 8.515 8.045 -3.424 1.00 0.00 N ATOM 1079 CA TYR A 68 8.665 8.915 -4.602 1.00 0.00 C ATOM 1080 C TYR A 68 10.041 9.604 -4.686 1.00 0.00 C ATOM 1081 O TYR A 68 10.657 9.623 -5.754 1.00 0.00 O ATOM 1082 CB TYR A 68 7.544 9.968 -4.564 1.00 0.00 C ATOM 1083 CG TYR A 68 7.481 10.921 -5.747 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.987 10.470 -6.987 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.857 12.272 -5.594 1.00 0.00 C ATOM 1086 CE1 TYR A 68 6.850 11.365 -8.066 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.723 13.172 -6.668 1.00 0.00 C ATOM 1088 CZ TYR A 68 7.216 12.721 -7.907 1.00 0.00 C ATOM 1089 OH TYR A 68 7.076 13.589 -8.949 1.00 0.00 O ATOM 0 H TYR A 68 7.765 8.348 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 68 8.593 8.290 -5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.588 9.449 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.658 10.557 -3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.712 9.433 -7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.249 12.617 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.466 11.016 -9.013 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.008 14.207 -6.545 1.00 0.00 H new ATOM 0 HH TYR A 68 6.328 13.303 -9.514 1.00 0.00 H new ATOM 1099 N SER A 69 10.537 10.166 -3.579 1.00 0.00 N ATOM 1100 CA SER A 69 11.830 10.862 -3.530 1.00 0.00 C ATOM 1101 C SER A 69 13.000 9.990 -3.046 1.00 0.00 C ATOM 1102 O SER A 69 14.147 10.311 -3.346 1.00 0.00 O ATOM 1103 CB SER A 69 11.713 12.080 -2.609 1.00 0.00 C ATOM 1104 OG SER A 69 11.512 11.707 -1.260 1.00 0.00 O ATOM 0 H SER A 69 10.049 10.151 -2.683 1.00 0.00 H new ATOM 0 HA SER A 69 12.057 11.148 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.618 12.682 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.884 12.706 -2.939 1.00 0.00 H new ATOM 0 HG SER A 69 11.637 12.489 -0.682 1.00 0.00 H new ATOM 1110 N SER A 70 12.726 8.920 -2.288 1.00 0.00 N ATOM 1111 CA SER A 70 13.658 8.048 -1.537 1.00 0.00 C ATOM 1112 C SER A 70 14.133 8.659 -0.198 1.00 0.00 C ATOM 1113 O SER A 70 14.697 7.945 0.638 1.00 0.00 O ATOM 1114 CB SER A 70 14.847 7.537 -2.384 1.00 0.00 C ATOM 1115 OG SER A 70 15.838 8.526 -2.593 1.00 0.00 O ATOM 0 H SER A 70 11.762 8.609 -2.170 1.00 0.00 H new ATOM 0 HA SER A 70 13.060 7.173 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.297 6.677 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.477 7.190 -3.349 1.00 0.00 H new ATOM 0 HG SER A 70 15.444 9.289 -3.066 1.00 0.00 H new ATOM 1121 N TRP A 71 13.886 9.957 0.045 1.00 0.00 N ATOM 1122 CA TRP A 71 14.269 10.643 1.284 1.00 0.00 C ATOM 1123 C TRP A 71 13.236 10.367 2.403 1.00 0.00 C ATOM 1124 O TRP A 71 12.039 10.600 2.187 1.00 0.00 O ATOM 1125 CB TRP A 71 14.453 12.140 1.016 1.00 0.00 C ATOM 1126 CG TRP A 71 15.090 12.898 2.140 1.00 0.00 C ATOM 1127 CD1 TRP A 71 14.435 13.666 3.033 1.00 0.00 C ATOM 1128 CD2 TRP A 71 16.502 12.970 2.521 1.00 0.00 C ATOM 1129 NE1 TRP A 71 15.327 14.216 3.930 1.00 0.00 N ATOM 1130 CE2 TRP A 71 16.621 13.833 3.653 1.00 0.00 C ATOM 1131 CE3 TRP A 71 17.694 12.385 2.035 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 17.855 14.117 4.257 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 18.938 12.664 2.636 1.00 0.00 C ATOM 1134 CH2 TRP A 71 19.023 13.529 3.742 1.00 0.00 C ATOM 0 H TRP A 71 13.409 10.563 -0.622 1.00 0.00 H new ATOM 0 HA TRP A 71 15.224 10.252 1.634 1.00 0.00 H new ATOM 0 HB2 TRP A 71 15.061 12.264 0.120 1.00 0.00 H new ATOM 0 HB3 TRP A 71 13.479 12.581 0.803 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.367 13.827 3.045 1.00 0.00 H new ATOM 0 HE1 TRP A 71 15.062 14.829 4.701 1.00 0.00 H new ATOM 0 HE3 TRP A 71 17.651 11.714 1.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 17.907 14.780 5.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 19.835 12.209 2.243 1.00 0.00 H new ATOM 0 HH2 TRP A 71 19.981 13.740 4.193 1.00 0.00 H new ATOM 1145 N PRO A 72 13.658 9.896 3.597 1.00 0.00 N ATOM 1146 CA PRO A 72 12.750 9.387 4.632 1.00 0.00 C ATOM 1147 C PRO A 72 12.109 10.436 5.561 1.00 0.00 C ATOM 1148 O PRO A 72 11.195 10.070 6.302 1.00 0.00 O ATOM 1149 CB PRO A 72 13.613 8.411 5.441 1.00 0.00 C ATOM 1150 CG PRO A 72 15.002 9.041 5.380 1.00 0.00 C ATOM 1151 CD PRO A 72 15.040 9.605 3.961 1.00 0.00 C ATOM 0 HA PRO A 72 11.880 8.942 4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.259 8.316 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.605 7.411 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.129 9.821 6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.790 8.306 5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.651 10.506 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.481 8.887 3.269 1.00 0.00 H new ATOM 1159 N THR A 73 12.571 11.697 5.569 1.00 0.00 N ATOM 1160 CA THR A 73 12.151 12.717 6.557 1.00 0.00 C ATOM 1161 C THR A 73 11.569 13.971 5.906 1.00 0.00 C ATOM 1162 O THR A 73 11.620 14.138 4.688 1.00 0.00 O ATOM 1163 CB THR A 73 13.293 13.079 7.523 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.438 13.454 6.800 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.650 11.914 8.448 1.00 0.00 C ATOM 0 H THR A 73 13.249 12.044 4.890 1.00 0.00 H new ATOM 0 HA THR A 73 11.349 12.260 7.136 1.00 0.00 H new ATOM 0 HB THR A 73 12.944 13.910 8.135 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.206 13.565 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.460 12.213 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.777 11.639 9.040 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.967 11.059 7.851 1.00 0.00 H new ATOM 1173 N PHE A 74 11.001 14.856 6.730 1.00 0.00 N ATOM 1174 CA PHE A 74 10.418 16.135 6.318 1.00 0.00 C ATOM 1175 C PHE A 74 10.881 17.272 7.262 1.00 0.00 C ATOM 1176 O PHE A 74 11.070 17.009 8.457 1.00 0.00 O ATOM 1177 CB PHE A 74 8.882 16.009 6.306 1.00 0.00 C ATOM 1178 CG PHE A 74 8.364 14.930 5.371 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.197 15.202 4.001 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.074 13.642 5.866 1.00 0.00 C ATOM 1181 CE1 PHE A 74 7.760 14.190 3.128 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.628 12.634 4.994 1.00 0.00 C ATOM 1183 CZ PHE A 74 7.474 12.907 3.625 1.00 0.00 C ATOM 0 H PHE A 74 10.932 14.696 7.735 1.00 0.00 H new ATOM 0 HA PHE A 74 10.759 16.386 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.536 15.797 7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.450 16.967 6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.405 16.190 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.195 13.429 6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.644 14.399 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.404 11.649 5.377 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.136 12.131 2.954 1.00 0.00 H new ATOM 1193 N PRO A 75 11.021 18.528 6.785 1.00 0.00 N ATOM 1194 CA PRO A 75 10.846 18.987 5.403 1.00 0.00 C ATOM 1195 C PRO A 75 11.842 18.378 4.409 1.00 0.00 C ATOM 1196 O PRO A 75 12.938 17.971 4.787 1.00 0.00 O ATOM 1197 CB PRO A 75 11.020 20.511 5.445 1.00 0.00 C ATOM 1198 CG PRO A 75 10.685 20.868 6.888 1.00 0.00 C ATOM 1199 CD PRO A 75 11.252 19.678 7.649 1.00 0.00 C ATOM 0 HA PRO A 75 9.865 18.672 5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.036 20.806 5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.353 21.011 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.148 21.806 7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.612 20.977 7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.315 19.811 7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.756 19.553 8.612 1.00 0.00 H new ATOM 1207 N GLN A 76 11.470 18.359 3.125 1.00 0.00 N ATOM 1208 CA GLN A 76 12.360 17.998 2.013 1.00 0.00 C ATOM 1209 C GLN A 76 11.989 18.792 0.750 1.00 0.00 C ATOM 1210 O GLN A 76 10.810 19.002 0.450 1.00 0.00 O ATOM 1211 CB GLN A 76 12.384 16.471 1.772 1.00 0.00 C ATOM 1212 CG GLN A 76 11.008 15.878 1.424 1.00 0.00 C ATOM 1213 CD GLN A 76 11.061 14.395 1.059 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.157 14.023 -0.102 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.996 13.489 2.008 1.00 0.00 N ATOM 0 H GLN A 76 10.526 18.598 2.822 1.00 0.00 H new ATOM 0 HA GLN A 76 13.379 18.274 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.080 16.251 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.767 15.977 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.338 16.012 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.581 16.435 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.916 13.777 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.026 12.498 1.770 1.00 0.00 H new ATOM 1224 N LEU A 77 13.010 19.255 0.025 1.00 0.00 N ATOM 1225 CA LEU A 77 12.893 20.076 -1.186 1.00 0.00 C ATOM 1226 C LEU A 77 12.909 19.187 -2.442 1.00 0.00 C ATOM 1227 O LEU A 77 13.534 18.127 -2.460 1.00 0.00 O ATOM 1228 CB LEU A 77 14.021 21.131 -1.104 1.00 0.00 C ATOM 1229 CG LEU A 77 14.103 22.196 -2.219 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.789 23.445 -1.644 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.913 21.752 -3.448 1.00 0.00 C ATOM 0 H LEU A 77 13.980 19.061 0.274 1.00 0.00 H new ATOM 0 HA LEU A 77 11.942 20.604 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.922 21.652 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.973 20.600 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 77 13.081 22.380 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.857 24.211 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.207 23.826 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.791 23.185 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.924 22.554 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.935 21.522 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.455 20.864 -3.884 1.00 0.00 H new ATOM 1243 N TYR A 78 12.219 19.606 -3.509 1.00 0.00 N ATOM 1244 CA TYR A 78 12.110 18.837 -4.757 1.00 0.00 C ATOM 1245 C TYR A 78 11.959 19.767 -5.978 1.00 0.00 C ATOM 1246 O TYR A 78 11.270 20.792 -5.915 1.00 0.00 O ATOM 1247 CB TYR A 78 10.949 17.840 -4.607 1.00 0.00 C ATOM 1248 CG TYR A 78 10.899 16.714 -5.622 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.503 16.967 -6.949 1.00 0.00 C ATOM 1250 CD2 TYR A 78 11.211 15.398 -5.225 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.460 15.917 -7.883 1.00 0.00 C ATOM 1252 CE2 TYR A 78 11.153 14.340 -6.153 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.785 14.601 -7.493 1.00 0.00 C ATOM 1254 OH TYR A 78 10.713 13.589 -8.399 1.00 0.00 O ATOM 0 H TYR A 78 11.717 20.494 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 78 13.026 18.275 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 78 11.001 17.401 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.012 18.394 -4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.232 17.968 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.496 15.200 -4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.176 16.119 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.389 13.333 -5.842 1.00 0.00 H new ATOM 0 HH TYR A 78 9.837 13.155 -8.335 1.00 0.00 H new ATOM 1264 N ILE A 79 12.603 19.425 -7.097 1.00 0.00 N ATOM 1265 CA ILE A 79 12.750 20.296 -8.278 1.00 0.00 C ATOM 1266 C ILE A 79 12.712 19.507 -9.596 1.00 0.00 C ATOM 1267 O ILE A 79 13.491 18.578 -9.779 1.00 0.00 O ATOM 1268 CB ILE A 79 14.071 21.110 -8.181 1.00 0.00 C ATOM 1269 CG1 ILE A 79 15.279 20.295 -7.649 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.846 22.369 -7.329 1.00 0.00 C ATOM 1271 CD1 ILE A 79 16.622 21.021 -7.781 1.00 0.00 C ATOM 0 H ILE A 79 13.049 18.515 -7.215 1.00 0.00 H new ATOM 0 HA ILE A 79 11.899 20.977 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 79 14.336 21.390 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.109 20.054 -6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.333 19.350 -8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.775 22.935 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.075 22.987 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.528 22.079 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.418 20.388 -7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.816 21.238 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.588 21.954 -7.218 1.00 0.00 H new ATOM 1283 N ASP A 80 11.804 19.875 -10.512 1.00 0.00 N ATOM 1284 CA ASP A 80 11.690 19.433 -11.925 1.00 0.00 C ATOM 1285 C ASP A 80 11.441 17.923 -12.186 1.00 0.00 C ATOM 1286 O ASP A 80 10.995 17.547 -13.270 1.00 0.00 O ATOM 1287 CB ASP A 80 12.930 19.925 -12.692 1.00 0.00 C ATOM 1288 CG ASP A 80 12.817 19.723 -14.214 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.931 20.352 -14.839 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.644 18.967 -14.780 1.00 0.00 O ATOM 0 H ASP A 80 11.069 20.541 -10.273 1.00 0.00 H new ATOM 0 HA ASP A 80 10.768 19.887 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.083 20.984 -12.482 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.810 19.397 -12.326 1.00 0.00 H new ATOM 1295 N GLY A 81 11.699 17.064 -11.198 1.00 0.00 N ATOM 1296 CA GLY A 81 11.735 15.601 -11.304 1.00 0.00 C ATOM 1297 C GLY A 81 12.868 14.949 -10.500 1.00 0.00 C ATOM 1298 O GLY A 81 13.066 13.740 -10.617 1.00 0.00 O ATOM 0 H GLY A 81 11.899 17.386 -10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.781 15.198 -10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.841 15.325 -12.353 1.00 0.00 H new ATOM 1302 N GLU A 82 13.610 15.727 -9.704 1.00 0.00 N ATOM 1303 CA GLU A 82 14.694 15.283 -8.829 1.00 0.00 C ATOM 1304 C GLU A 82 14.479 15.809 -7.397 1.00 0.00 C ATOM 1305 O GLU A 82 13.996 16.928 -7.193 1.00 0.00 O ATOM 1306 CB GLU A 82 16.028 15.788 -9.409 1.00 0.00 C ATOM 1307 CG GLU A 82 17.282 15.198 -8.753 1.00 0.00 C ATOM 1308 CD GLU A 82 17.396 13.685 -8.998 1.00 0.00 C ATOM 1309 OE1 GLU A 82 17.990 13.282 -10.027 1.00 0.00 O ATOM 1310 OE2 GLU A 82 16.901 12.893 -8.162 1.00 0.00 O ATOM 0 H GLU A 82 13.461 16.735 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 82 14.710 14.194 -8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.053 15.562 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.062 16.873 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.167 15.698 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.257 15.392 -7.681 1.00 0.00 H new ATOM 1317 N PHE A 83 14.843 15.005 -6.394 1.00 0.00 N ATOM 1318 CA PHE A 83 14.740 15.375 -4.984 1.00 0.00 C ATOM 1319 C PHE A 83 16.014 16.022 -4.448 1.00 0.00 C ATOM 1320 O PHE A 83 17.107 15.929 -5.018 1.00 0.00 O ATOM 1321 CB PHE A 83 14.320 14.155 -4.152 1.00 0.00 C ATOM 1322 CG PHE A 83 15.481 13.335 -3.627 1.00 0.00 C ATOM 1323 CD1 PHE A 83 16.212 12.492 -4.485 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.877 13.483 -2.287 1.00 0.00 C ATOM 1325 CE1 PHE A 83 17.340 11.807 -4.002 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.010 12.811 -1.806 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.744 11.971 -2.665 1.00 0.00 C ATOM 0 H PHE A 83 15.221 14.069 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 83 13.967 16.138 -4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.718 14.493 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.683 13.514 -4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.906 12.372 -5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.306 14.117 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.897 11.154 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.319 12.938 -0.779 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.617 11.453 -2.297 1.00 0.00 H new ATOM 1337 N PHE A 84 15.830 16.669 -3.303 1.00 0.00 N ATOM 1338 CA PHE A 84 16.857 17.319 -2.527 1.00 0.00 C ATOM 1339 C PHE A 84 16.587 17.123 -1.024 1.00 0.00 C ATOM 1340 O PHE A 84 15.597 16.524 -0.590 1.00 0.00 O ATOM 1341 CB PHE A 84 16.912 18.799 -2.943 1.00 0.00 C ATOM 1342 CG PHE A 84 18.282 19.431 -2.815 1.00 0.00 C ATOM 1343 CD1 PHE A 84 19.299 19.047 -3.706 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.546 20.397 -1.824 1.00 0.00 C ATOM 1345 CE1 PHE A 84 20.580 19.614 -3.609 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.828 20.966 -1.726 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.844 20.571 -2.616 1.00 0.00 C ATOM 0 H PHE A 84 14.908 16.754 -2.876 1.00 0.00 H new ATOM 0 HA PHE A 84 17.835 16.878 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.580 18.886 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.206 19.362 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 84 19.094 18.311 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.766 20.700 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 84 21.359 19.315 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.033 21.707 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.830 21.005 -2.535 1.00 0.00 H new ATOM 1357 N GLY A 85 17.528 17.619 -0.229 1.00 0.00 N ATOM 1358 CA GLY A 85 17.605 17.402 1.223 1.00 0.00 C ATOM 1359 C GLY A 85 16.667 18.292 2.051 1.00 0.00 C ATOM 1360 O GLY A 85 15.793 18.987 1.527 1.00 0.00 O ATOM 0 H GLY A 85 18.286 18.203 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.375 16.358 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.631 17.574 1.549 1.00 0.00 H new ATOM 1364 N GLY A 86 16.877 18.254 3.371 1.00 0.00 N ATOM 1365 CA GLY A 86 16.189 19.100 4.356 1.00 0.00 C ATOM 1366 C GLY A 86 16.830 20.480 4.510 1.00 0.00 C ATOM 1367 O GLY A 86 17.612 20.919 3.664 1.00 0.00 O ATOM 0 H GLY A 86 17.549 17.616 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.147 19.221 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.188 18.596 5.322 1.00 0.00 H new ATOM 1371 N CYS A 87 16.496 21.182 5.598 1.00 0.00 N ATOM 1372 CA CYS A 87 16.891 22.583 5.818 1.00 0.00 C ATOM 1373 C CYS A 87 18.413 22.775 5.871 1.00 0.00 C ATOM 1374 O CYS A 87 18.940 23.610 5.139 1.00 0.00 O ATOM 1375 CB CYS A 87 16.180 23.098 7.079 1.00 0.00 C ATOM 1376 SG CYS A 87 16.497 24.880 7.279 1.00 0.00 S ATOM 0 H CYS A 87 15.939 20.793 6.359 1.00 0.00 H new ATOM 0 HA CYS A 87 16.575 23.179 4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.108 22.916 7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 87 16.535 22.555 7.955 1.00 0.00 H new ATOM 0 HG CYS A 87 16.274 25.225 8.512 1.00 0.00 H new ATOM 1382 N ASP A 88 19.134 21.992 6.674 1.00 0.00 N ATOM 1383 CA ASP A 88 20.594 22.116 6.816 1.00 0.00 C ATOM 1384 C ASP A 88 21.313 21.904 5.474 1.00 0.00 C ATOM 1385 O ASP A 88 22.163 22.706 5.090 1.00 0.00 O ATOM 1386 CB ASP A 88 21.099 21.115 7.867 1.00 0.00 C ATOM 1387 CG ASP A 88 20.595 21.459 9.277 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.192 22.352 9.926 1.00 0.00 O ATOM 1389 OD2 ASP A 88 19.611 20.827 9.733 1.00 0.00 O ATOM 0 H ASP A 88 18.727 21.252 7.246 1.00 0.00 H new ATOM 0 HA ASP A 88 20.821 23.129 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.770 20.111 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 88 22.189 21.105 7.864 1.00 0.00 H new ATOM 1394 N ILE A 89 20.896 20.884 4.712 1.00 0.00 N ATOM 1395 CA ILE A 89 21.422 20.614 3.360 1.00 0.00 C ATOM 1396 C ILE A 89 21.109 21.793 2.424 1.00 0.00 C ATOM 1397 O ILE A 89 21.998 22.242 1.700 1.00 0.00 O ATOM 1398 CB ILE A 89 20.891 19.258 2.832 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.440 18.100 3.705 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.282 19.044 1.353 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.811 16.730 3.429 1.00 0.00 C ATOM 0 H ILE A 89 20.183 20.219 5.013 1.00 0.00 H new ATOM 0 HA ILE A 89 22.508 20.525 3.400 1.00 0.00 H new ATOM 0 HB ILE A 89 19.803 19.269 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.517 18.027 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.285 18.350 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 89 20.896 18.084 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.859 19.844 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.368 19.053 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.258 15.985 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.738 16.779 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.989 16.450 2.391 1.00 0.00 H new ATOM 1413 N THR A 90 19.885 22.340 2.490 1.00 0.00 N ATOM 1414 CA THR A 90 19.448 23.507 1.699 1.00 0.00 C ATOM 1415 C THR A 90 20.270 24.748 2.050 1.00 0.00 C ATOM 1416 O THR A 90 20.732 25.434 1.144 1.00 0.00 O ATOM 1417 CB THR A 90 17.944 23.759 1.878 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.238 22.598 1.500 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.433 24.890 0.988 1.00 0.00 C ATOM 0 H THR A 90 19.156 21.979 3.105 1.00 0.00 H new ATOM 0 HA THR A 90 19.622 23.286 0.646 1.00 0.00 H new ATOM 0 HB THR A 90 17.788 24.026 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.309 21.926 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.364 25.028 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.960 25.812 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.610 24.638 -0.058 1.00 0.00 H new ATOM 1427 N VAL A 91 20.510 25.003 3.337 1.00 0.00 N ATOM 1428 CA VAL A 91 21.342 26.113 3.836 1.00 0.00 C ATOM 1429 C VAL A 91 22.792 25.987 3.343 1.00 0.00 C ATOM 1430 O VAL A 91 23.357 26.975 2.875 1.00 0.00 O ATOM 1431 CB VAL A 91 21.280 26.196 5.385 1.00 0.00 C ATOM 1432 CG1 VAL A 91 22.360 27.102 6.000 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.908 26.716 5.850 1.00 0.00 C ATOM 0 H VAL A 91 20.123 24.430 4.087 1.00 0.00 H new ATOM 0 HA VAL A 91 20.939 27.042 3.434 1.00 0.00 H new ATOM 0 HB VAL A 91 21.454 25.177 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.253 27.110 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.347 26.723 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.246 28.116 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 91 19.888 26.766 6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.737 27.711 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 91 19.126 26.040 5.503 1.00 0.00 H new ATOM 1443 N GLU A 92 23.395 24.792 3.407 1.00 0.00 N ATOM 1444 CA GLU A 92 24.761 24.557 2.917 1.00 0.00 C ATOM 1445 C GLU A 92 24.856 24.662 1.388 1.00 0.00 C ATOM 1446 O GLU A 92 25.821 25.228 0.868 1.00 0.00 O ATOM 1447 CB GLU A 92 25.276 23.188 3.385 1.00 0.00 C ATOM 1448 CG GLU A 92 25.602 23.177 4.885 1.00 0.00 C ATOM 1449 CD GLU A 92 26.260 21.851 5.292 1.00 0.00 C ATOM 1450 OE1 GLU A 92 25.550 20.833 5.461 1.00 0.00 O ATOM 1451 OE2 GLU A 92 27.506 21.821 5.445 1.00 0.00 O ATOM 0 H GLU A 92 22.951 23.962 3.799 1.00 0.00 H new ATOM 0 HA GLU A 92 25.390 25.341 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.526 22.426 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.169 22.924 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.268 24.006 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.689 23.326 5.461 1.00 0.00 H new ATOM 1458 N ALA A 93 23.857 24.172 0.654 1.00 0.00 N ATOM 1459 CA ALA A 93 23.798 24.248 -0.806 1.00 0.00 C ATOM 1460 C ALA A 93 23.603 25.685 -1.312 1.00 0.00 C ATOM 1461 O ALA A 93 24.205 26.065 -2.313 1.00 0.00 O ATOM 1462 CB ALA A 93 22.671 23.319 -1.266 1.00 0.00 C ATOM 0 H ALA A 93 23.051 23.702 1.065 1.00 0.00 H new ATOM 0 HA ALA A 93 24.749 23.928 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.596 23.349 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.886 22.300 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.728 23.646 -0.828 1.00 0.00 H new ATOM 1468 N TYR A 94 22.809 26.500 -0.615 1.00 0.00 N ATOM 1469 CA TYR A 94 22.638 27.934 -0.880 1.00 0.00 C ATOM 1470 C TYR A 94 23.916 28.736 -0.582 1.00 0.00 C ATOM 1471 O TYR A 94 24.293 29.613 -1.360 1.00 0.00 O ATOM 1472 CB TYR A 94 21.452 28.426 -0.037 1.00 0.00 C ATOM 1473 CG TYR A 94 21.121 29.902 -0.155 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.786 30.462 -1.405 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.108 30.713 0.998 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.444 31.825 -1.504 1.00 0.00 C ATOM 1477 CE2 TYR A 94 20.760 32.074 0.906 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.427 32.637 -0.349 1.00 0.00 C ATOM 1479 OH TYR A 94 20.094 33.953 -0.448 1.00 0.00 O ATOM 0 H TYR A 94 22.250 26.173 0.173 1.00 0.00 H new ATOM 0 HA TYR A 94 22.437 28.089 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.569 27.852 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.658 28.202 1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.792 29.843 -2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.366 30.288 1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.194 32.250 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.747 32.689 1.794 1.00 0.00 H new ATOM 0 HH TYR A 94 20.130 34.367 0.439 1.00 0.00 H new ATOM 1489 N LYS A 95 24.635 28.387 0.494 1.00 0.00 N ATOM 1490 CA LYS A 95 25.946 28.967 0.834 1.00 0.00 C ATOM 1491 C LYS A 95 27.038 28.558 -0.179 1.00 0.00 C ATOM 1492 O LYS A 95 27.900 29.361 -0.532 1.00 0.00 O ATOM 1493 CB LYS A 95 26.297 28.547 2.274 1.00 0.00 C ATOM 1494 CG LYS A 95 27.564 29.249 2.796 1.00 0.00 C ATOM 1495 CD LYS A 95 27.843 28.959 4.280 1.00 0.00 C ATOM 1496 CE LYS A 95 28.180 27.480 4.532 1.00 0.00 C ATOM 1497 NZ LYS A 95 28.554 27.236 5.953 1.00 0.00 N ATOM 0 H LYS A 95 24.320 27.685 1.163 1.00 0.00 H new ATOM 0 HA LYS A 95 25.893 30.054 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.459 28.778 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 95 26.442 27.467 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 95 28.420 28.930 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 95 27.461 30.325 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 95 28.671 29.581 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.971 29.237 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 95 27.322 26.861 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 95 29.001 27.178 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 28.775 26.228 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 29.388 27.808 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 27.761 27.501 6.571 1.00 0.00 H new ATOM 1511 N SER A 96 26.983 27.322 -0.682 1.00 0.00 N ATOM 1512 CA SER A 96 27.977 26.771 -1.625 1.00 0.00 C ATOM 1513 C SER A 96 27.706 27.133 -3.102 1.00 0.00 C ATOM 1514 O SER A 96 28.595 26.980 -3.942 1.00 0.00 O ATOM 1515 CB SER A 96 28.026 25.241 -1.479 1.00 0.00 C ATOM 1516 OG SER A 96 28.270 24.834 -0.142 1.00 0.00 O ATOM 0 H SER A 96 26.241 26.663 -0.447 1.00 0.00 H new ATOM 0 HA SER A 96 28.933 27.225 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.082 24.816 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.807 24.842 -2.126 1.00 0.00 H new ATOM 0 HG SER A 96 27.427 24.830 0.358 1.00 0.00 H new ATOM 1522 N GLY A 97 26.486 27.589 -3.435 1.00 0.00 N ATOM 1523 CA GLY A 97 26.047 27.915 -4.805 1.00 0.00 C ATOM 1524 C GLY A 97 25.426 26.735 -5.566 1.00 0.00 C ATOM 1525 O GLY A 97 24.972 26.904 -6.697 1.00 0.00 O ATOM 0 H GLY A 97 25.757 27.746 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.319 28.725 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 97 26.902 28.287 -5.369 1.00 0.00 H new ATOM 1529 N GLU A 98 25.351 25.558 -4.939 1.00 0.00 N ATOM 1530 CA GLU A 98 24.781 24.335 -5.519 1.00 0.00 C ATOM 1531 C GLU A 98 23.262 24.475 -5.712 1.00 0.00 C ATOM 1532 O GLU A 98 22.742 24.134 -6.773 1.00 0.00 O ATOM 1533 CB GLU A 98 25.084 23.130 -4.609 1.00 0.00 C ATOM 1534 CG GLU A 98 26.578 22.861 -4.379 1.00 0.00 C ATOM 1535 CD GLU A 98 27.306 22.459 -5.672 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.111 21.312 -6.142 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.090 23.277 -6.209 1.00 0.00 O ATOM 0 H GLU A 98 25.694 25.424 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 98 25.238 24.175 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.605 23.291 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.631 22.240 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.046 23.754 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 98 26.692 22.069 -3.639 1.00 0.00 H new ATOM 1544 N LEU A 99 22.554 25.044 -4.722 1.00 0.00 N ATOM 1545 CA LEU A 99 21.108 25.280 -4.816 1.00 0.00 C ATOM 1546 C LEU A 99 20.800 26.288 -5.924 1.00 0.00 C ATOM 1547 O LEU A 99 19.903 26.053 -6.726 1.00 0.00 O ATOM 1548 CB LEU A 99 20.567 25.753 -3.450 1.00 0.00 C ATOM 1549 CG LEU A 99 19.027 25.840 -3.386 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.371 24.449 -3.390 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.613 26.594 -2.120 1.00 0.00 C ATOM 0 H LEU A 99 22.967 25.351 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 99 20.606 24.348 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 99 20.915 25.070 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 99 20.987 26.733 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 99 18.686 26.371 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.287 24.558 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.644 23.921 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.716 23.882 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.526 26.657 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.984 26.064 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.034 27.599 -2.141 1.00 0.00 H new ATOM 1563 N GLN A 100 21.575 27.374 -6.007 1.00 0.00 N ATOM 1564 CA GLN A 100 21.459 28.384 -7.065 1.00 0.00 C ATOM 1565 C GLN A 100 21.576 27.746 -8.456 1.00 0.00 C ATOM 1566 O GLN A 100 20.696 27.962 -9.288 1.00 0.00 O ATOM 1567 CB GLN A 100 22.518 29.477 -6.821 1.00 0.00 C ATOM 1568 CG GLN A 100 22.572 30.558 -7.917 1.00 0.00 C ATOM 1569 CD GLN A 100 23.434 31.755 -7.503 1.00 0.00 C ATOM 1570 OE1 GLN A 100 22.970 32.885 -7.415 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.706 31.563 -7.206 1.00 0.00 N ATOM 0 H GLN A 100 22.311 27.580 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 100 20.472 28.846 -7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.316 29.956 -5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.498 29.007 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.971 30.124 -8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.561 30.899 -8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.110 30.629 -7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.285 32.349 -6.909 1.00 0.00 H new ATOM 1580 N GLU A 101 22.589 26.901 -8.683 1.00 0.00 N ATOM 1581 CA GLU A 101 22.760 26.190 -9.952 1.00 0.00 C ATOM 1582 C GLU A 101 21.586 25.231 -10.233 1.00 0.00 C ATOM 1583 O GLU A 101 21.017 25.266 -11.322 1.00 0.00 O ATOM 1584 CB GLU A 101 24.110 25.448 -9.947 1.00 0.00 C ATOM 1585 CG GLU A 101 24.438 24.854 -11.321 1.00 0.00 C ATOM 1586 CD GLU A 101 25.827 24.204 -11.335 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.836 24.929 -11.507 1.00 0.00 O ATOM 1588 OE2 GLU A 101 25.919 22.961 -11.198 1.00 0.00 O ATOM 0 H GLU A 101 23.311 26.692 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 101 22.762 26.919 -10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 101 24.902 26.136 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.084 24.651 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.685 24.112 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.394 25.638 -12.077 1.00 0.00 H new ATOM 1595 N GLN A 102 21.191 24.398 -9.263 1.00 0.00 N ATOM 1596 CA GLN A 102 20.124 23.410 -9.459 1.00 0.00 C ATOM 1597 C GLN A 102 18.736 24.055 -9.624 1.00 0.00 C ATOM 1598 O GLN A 102 17.959 23.605 -10.465 1.00 0.00 O ATOM 1599 CB GLN A 102 20.121 22.402 -8.297 1.00 0.00 C ATOM 1600 CG GLN A 102 21.347 21.470 -8.282 1.00 0.00 C ATOM 1601 CD GLN A 102 21.320 20.446 -9.418 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.841 20.664 -10.506 1.00 0.00 O ATOM 1603 NE2 GLN A 102 20.694 19.302 -9.225 1.00 0.00 N ATOM 0 H GLN A 102 21.598 24.389 -8.328 1.00 0.00 H new ATOM 0 HA GLN A 102 20.335 22.888 -10.392 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.079 22.948 -7.354 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.216 21.797 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.255 22.068 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.390 20.947 -7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.256 19.106 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.648 18.613 -9.976 1.00 0.00 H new ATOM 1612 N VAL A 103 18.416 25.110 -8.867 1.00 0.00 N ATOM 1613 CA VAL A 103 17.144 25.847 -8.978 1.00 0.00 C ATOM 1614 C VAL A 103 17.075 26.632 -10.296 1.00 0.00 C ATOM 1615 O VAL A 103 16.020 26.641 -10.926 1.00 0.00 O ATOM 1616 CB VAL A 103 16.915 26.770 -7.759 1.00 0.00 C ATOM 1617 CG1 VAL A 103 15.703 27.704 -7.913 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.687 25.928 -6.489 1.00 0.00 C ATOM 0 H VAL A 103 19.038 25.484 -8.150 1.00 0.00 H new ATOM 0 HA VAL A 103 16.337 25.114 -8.985 1.00 0.00 H new ATOM 0 HB VAL A 103 17.814 27.382 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.604 28.322 -7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 103 15.845 28.344 -8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 103 14.799 27.109 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.527 26.590 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.811 25.294 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.561 25.304 -6.304 1.00 0.00 H new ATOM 1628 N GLU A 104 18.177 27.235 -10.760 1.00 0.00 N ATOM 1629 CA GLU A 104 18.238 27.847 -12.092 1.00 0.00 C ATOM 1630 C GLU A 104 18.002 26.804 -13.200 1.00 0.00 C ATOM 1631 O GLU A 104 17.165 27.016 -14.081 1.00 0.00 O ATOM 1632 CB GLU A 104 19.582 28.575 -12.270 1.00 0.00 C ATOM 1633 CG GLU A 104 19.656 29.348 -13.594 1.00 0.00 C ATOM 1634 CD GLU A 104 20.963 30.146 -13.687 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.989 31.320 -13.247 1.00 0.00 O ATOM 1636 OE2 GLU A 104 21.971 29.612 -14.209 1.00 0.00 O ATOM 0 H GLU A 104 19.044 27.312 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 104 17.437 28.581 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.731 29.266 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.394 27.849 -12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.589 28.652 -14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.805 30.025 -13.673 1.00 0.00 H new ATOM 1643 N LYS A 105 18.653 25.637 -13.119 1.00 0.00 N ATOM 1644 CA LYS A 105 18.422 24.515 -14.039 1.00 0.00 C ATOM 1645 C LYS A 105 16.961 24.025 -13.993 1.00 0.00 C ATOM 1646 O LYS A 105 16.382 23.767 -15.046 1.00 0.00 O ATOM 1647 CB LYS A 105 19.403 23.375 -13.717 1.00 0.00 C ATOM 1648 CG LYS A 105 20.834 23.689 -14.186 1.00 0.00 C ATOM 1649 CD LYS A 105 21.878 22.751 -13.557 1.00 0.00 C ATOM 1650 CE LYS A 105 21.675 21.280 -13.955 1.00 0.00 C ATOM 1651 NZ LYS A 105 22.639 20.390 -13.255 1.00 0.00 N ATOM 0 H LYS A 105 19.359 25.443 -12.409 1.00 0.00 H new ATOM 0 HA LYS A 105 18.601 24.862 -15.056 1.00 0.00 H new ATOM 0 HB2 LYS A 105 19.406 23.194 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.060 22.457 -14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.883 23.607 -15.272 1.00 0.00 H new ATOM 0 HG3 LYS A 105 21.078 24.721 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.875 23.070 -13.860 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.831 22.839 -12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 105 20.656 20.974 -13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 105 21.796 21.173 -15.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 22.545 19.421 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.608 20.729 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.440 20.397 -12.234 1.00 0.00 H new ATOM 1665 N ALA A 106 16.335 23.957 -12.812 1.00 0.00 N ATOM 1666 CA ALA A 106 14.929 23.572 -12.656 1.00 0.00 C ATOM 1667 C ALA A 106 13.958 24.575 -13.304 1.00 0.00 C ATOM 1668 O ALA A 106 13.025 24.169 -13.996 1.00 0.00 O ATOM 1669 CB ALA A 106 14.642 23.395 -11.160 1.00 0.00 C ATOM 0 H ALA A 106 16.797 24.170 -11.928 1.00 0.00 H new ATOM 0 HA ALA A 106 14.763 22.632 -13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.600 23.108 -11.021 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.290 22.617 -10.755 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.832 24.334 -10.639 1.00 0.00 H new ATOM 1675 N MET A 107 14.190 25.882 -13.114 1.00 0.00 N ATOM 1676 CA MET A 107 13.380 26.956 -13.718 1.00 0.00 C ATOM 1677 C MET A 107 13.549 27.039 -15.245 1.00 0.00 C ATOM 1678 O MET A 107 12.578 27.319 -15.952 1.00 0.00 O ATOM 1679 CB MET A 107 13.721 28.309 -13.072 1.00 0.00 C ATOM 1680 CG MET A 107 13.235 28.392 -11.616 1.00 0.00 C ATOM 1681 SD MET A 107 13.363 30.028 -10.843 1.00 0.00 S ATOM 1682 CE MET A 107 15.137 30.356 -11.011 1.00 0.00 C ATOM 0 H MET A 107 14.952 26.229 -12.532 1.00 0.00 H new ATOM 0 HA MET A 107 12.335 26.712 -13.525 1.00 0.00 H new ATOM 0 HB2 MET A 107 14.799 28.464 -13.103 1.00 0.00 H new ATOM 0 HB3 MET A 107 13.267 29.112 -13.652 1.00 0.00 H new ATOM 0 HG2 MET A 107 12.193 28.073 -11.580 1.00 0.00 H new ATOM 0 HG3 MET A 107 13.807 27.681 -11.019 1.00 0.00 H new ATOM 0 HE1 MET A 107 15.442 31.097 -10.272 1.00 0.00 H new ATOM 0 HE2 MET A 107 15.694 29.433 -10.850 1.00 0.00 H new ATOM 0 HE3 MET A 107 15.344 30.735 -12.012 1.00 0.00 H new ATOM 1692 N CYS A 108 14.754 26.764 -15.760 1.00 0.00 N ATOM 1693 CA CYS A 108 15.016 26.603 -17.197 1.00 0.00 C ATOM 1694 C CYS A 108 14.304 25.359 -17.777 1.00 0.00 C ATOM 1695 O CYS A 108 13.685 25.442 -18.845 1.00 0.00 O ATOM 1696 CB CYS A 108 16.539 26.548 -17.386 1.00 0.00 C ATOM 1697 SG CYS A 108 16.936 26.566 -19.160 1.00 0.00 S ATOM 0 H CYS A 108 15.586 26.645 -15.183 1.00 0.00 H new ATOM 0 HA CYS A 108 14.608 27.448 -17.752 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.008 27.398 -16.890 1.00 0.00 H new ATOM 0 HB3 CYS A 108 16.941 25.647 -16.923 1.00 0.00 H new ATOM 0 HG CYS A 108 18.226 26.521 -19.317 1.00 0.00 H new ATOM 1703 N SER A 109 14.377 24.240 -17.038 1.00 0.00 N ATOM 1704 CA SER A 109 13.715 22.937 -17.249 1.00 0.00 C ATOM 1705 C SER A 109 14.351 22.135 -18.399 1.00 0.00 C ATOM 1706 O SER A 109 15.470 21.605 -18.196 1.00 0.00 O ATOM 1707 CB SER A 109 12.196 23.070 -17.415 1.00 0.00 C ATOM 1708 OG SER A 109 11.642 23.827 -16.352 1.00 0.00 O ATOM 1709 OXT SER A 109 13.754 22.019 -19.495 1.00 0.00 O ATOM 0 H SER A 109 14.955 24.220 -16.198 1.00 0.00 H new ATOM 0 HA SER A 109 13.880 22.363 -16.337 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.969 23.550 -18.367 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.740 22.081 -17.440 1.00 0.00 H new ATOM 0 HG SER A 109 12.269 23.840 -15.599 1.00 0.00 H new