USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=28 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= 0.822 K(o=2.9,f=-2.2) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -175:sc= 2.1 (180deg=0.97) USER MOD Set 2.1: A 37 GLN : amide:sc= 0.102 K(o=0.8,f=-0.77) USER MOD Set 2.2: A 41 GLN : amide:sc= 0.696 K(o=0.8,f=-0.73) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 149:sc= 2.06 (180deg=0.352) USER MOD Set 3.2: A 109 SER OG : rot 44:sc= 1.93 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 10 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -77:sc= 1.16 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.000613 X(o=-0.00061,f=-0.00061) USER MOD Single : A 24 MET CE :methyl -129:sc= -0.291 (180deg=-0.976) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 136:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.2) USER MOD Single : A 32 GLN : amide:sc=-0.00189 X(o=-0.0019,f=-0.0019) USER MOD Single : A 33 CYS SG : rot 47:sc= 0.261 USER MOD Single : A 36 SER OG : rot -150:sc= 0.0202 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00802 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -76:sc= 1.25 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 52 SER OG : rot 51:sc= 0.126 USER MOD Single : A 54 ASN : amide:sc= 1.05 K(o=1.1,f=-3.2!) USER MOD Single : A 58 ASN : amide:sc= 0.179 K(o=0.18,f=-5.9!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -67:sc= 1.35 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.186! X(o=-0.19!,f=0) USER MOD Single : A 78 TYR OH : rot 114:sc= 0.184 USER MOD Single : A 87 CYS SG : rot 180:sc= 0.0214 USER MOD Single : A 90 THR OG1 : rot 74:sc= 1.09 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1.12) USER MOD Single : A 96 SER OG : rot 92:sc= 1.25 USER MOD Single : A 100 GLN : amide:sc= 0.738 K(o=0.74,f=-0.12) USER MOD Single : A 107 MET CE :methyl 172:sc= -0.341 (180deg=-0.445) USER MOD Single : A 108 CYS SG : rot 78:sc= 0.448 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -3.863 9.187 -8.355 1.00 0.00 N ATOM 78 CA ALA A 6 -4.053 10.588 -7.955 1.00 0.00 C ATOM 79 C ALA A 6 -2.815 11.220 -7.303 1.00 0.00 C ATOM 80 O ALA A 6 -2.432 12.333 -7.669 1.00 0.00 O ATOM 81 CB ALA A 6 -5.258 10.641 -7.005 1.00 0.00 C ATOM 0 HA ALA A 6 -4.229 11.179 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.427 11.670 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.144 10.270 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.060 10.020 -6.131 1.00 0.00 H new ATOM 87 N LEU A 7 -2.179 10.529 -6.348 1.00 0.00 N ATOM 88 CA LEU A 7 -1.092 11.101 -5.547 1.00 0.00 C ATOM 89 C LEU A 7 0.138 11.359 -6.424 1.00 0.00 C ATOM 90 O LEU A 7 0.537 12.508 -6.587 1.00 0.00 O ATOM 91 CB LEU A 7 -0.839 10.180 -4.331 1.00 0.00 C ATOM 92 CG LEU A 7 -0.097 10.774 -3.115 1.00 0.00 C ATOM 93 CD1 LEU A 7 1.391 11.031 -3.383 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.776 12.051 -2.600 1.00 0.00 C ATOM 0 H LEU A 7 -2.403 9.563 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.361 12.080 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.804 9.810 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.273 9.316 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.156 10.012 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.855 11.448 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.881 10.093 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.496 11.735 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.223 12.437 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.790 12.800 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.798 11.823 -2.298 1.00 0.00 H new ATOM 106 N LYS A 8 0.684 10.335 -7.087 1.00 0.00 N ATOM 107 CA LYS A 8 1.877 10.491 -7.940 1.00 0.00 C ATOM 108 C LYS A 8 1.617 11.405 -9.153 1.00 0.00 C ATOM 109 O LYS A 8 2.500 12.169 -9.546 1.00 0.00 O ATOM 110 CB LYS A 8 2.401 9.106 -8.360 1.00 0.00 C ATOM 111 CG LYS A 8 3.037 8.365 -7.171 1.00 0.00 C ATOM 112 CD LYS A 8 3.657 7.034 -7.615 1.00 0.00 C ATOM 113 CE LYS A 8 4.334 6.347 -6.418 1.00 0.00 C ATOM 114 NZ LYS A 8 4.989 5.065 -6.796 1.00 0.00 N ATOM 0 H LYS A 8 0.320 9.383 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 8 2.650 10.991 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.582 8.512 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.137 9.219 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.803 8.992 -6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.281 8.181 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.886 6.384 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.387 7.209 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.077 7.019 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.591 6.158 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.342 4.590 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.299 4.450 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.784 5.257 -7.439 1.00 0.00 H new ATOM 128 N THR A 9 0.381 11.418 -9.665 1.00 0.00 N ATOM 129 CA THR A 9 -0.140 12.335 -10.687 1.00 0.00 C ATOM 130 C THR A 9 -0.087 13.797 -10.235 1.00 0.00 C ATOM 131 O THR A 9 0.276 14.660 -11.031 1.00 0.00 O ATOM 132 CB THR A 9 -1.570 11.918 -11.029 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.631 10.516 -11.161 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.047 12.525 -12.338 1.00 0.00 C ATOM 0 H THR A 9 -0.325 10.749 -9.359 1.00 0.00 H new ATOM 0 HA THR A 9 0.491 12.269 -11.573 1.00 0.00 H new ATOM 0 HB THR A 9 -2.209 12.274 -10.221 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.548 10.248 -11.379 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.068 12.200 -12.539 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.020 13.612 -12.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.396 12.198 -13.149 1.00 0.00 H new ATOM 142 N THR A 10 -0.390 14.076 -8.959 1.00 0.00 N ATOM 143 CA THR A 10 -0.303 15.420 -8.350 1.00 0.00 C ATOM 144 C THR A 10 1.154 15.856 -8.190 1.00 0.00 C ATOM 145 O THR A 10 1.485 16.993 -8.533 1.00 0.00 O ATOM 146 CB THR A 10 -1.049 15.448 -7.004 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.389 15.063 -7.223 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.074 16.848 -6.388 1.00 0.00 C ATOM 0 H THR A 10 -0.709 13.362 -8.304 1.00 0.00 H new ATOM 0 HA THR A 10 -0.785 16.134 -9.018 1.00 0.00 H new ATOM 0 HB THR A 10 -0.528 14.772 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.430 14.097 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.611 16.819 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.053 17.188 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.576 17.536 -7.068 1.00 0.00 H new ATOM 156 N LEU A 11 2.028 14.954 -7.726 1.00 0.00 N ATOM 157 CA LEU A 11 3.473 15.205 -7.612 1.00 0.00 C ATOM 158 C LEU A 11 4.064 15.567 -8.979 1.00 0.00 C ATOM 159 O LEU A 11 4.646 16.642 -9.133 1.00 0.00 O ATOM 160 CB LEU A 11 4.192 13.997 -6.973 1.00 0.00 C ATOM 161 CG LEU A 11 3.658 13.571 -5.591 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.499 12.412 -5.043 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.634 14.720 -4.577 1.00 0.00 C ATOM 0 H LEU A 11 1.752 14.022 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 11 3.629 16.058 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.115 13.148 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.252 14.234 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 11 2.625 13.254 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.117 12.115 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.442 11.566 -5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.537 12.730 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.248 14.357 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.645 15.103 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.992 15.519 -4.947 1.00 0.00 H new ATOM 175 N ASP A 12 3.824 14.737 -9.997 1.00 0.00 N ATOM 176 CA ASP A 12 4.235 15.001 -11.379 1.00 0.00 C ATOM 177 C ASP A 12 3.687 16.339 -11.897 1.00 0.00 C ATOM 178 O ASP A 12 4.431 17.109 -12.508 1.00 0.00 O ATOM 179 CB ASP A 12 3.785 13.837 -12.270 1.00 0.00 C ATOM 180 CG ASP A 12 4.242 14.031 -13.724 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.450 13.834 -14.000 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.396 14.367 -14.588 1.00 0.00 O ATOM 0 H ASP A 12 3.332 13.851 -9.883 1.00 0.00 H new ATOM 0 HA ASP A 12 5.322 15.080 -11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.190 12.903 -11.882 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.699 13.751 -12.237 1.00 0.00 H new ATOM 187 N LYS A 13 2.429 16.683 -11.589 1.00 0.00 N ATOM 188 CA LYS A 13 1.850 17.982 -11.947 1.00 0.00 C ATOM 189 C LYS A 13 2.609 19.146 -11.288 1.00 0.00 C ATOM 190 O LYS A 13 3.054 20.042 -12.004 1.00 0.00 O ATOM 191 CB LYS A 13 0.344 17.973 -11.629 1.00 0.00 C ATOM 192 CG LYS A 13 -0.354 19.261 -12.103 1.00 0.00 C ATOM 193 CD LYS A 13 -1.885 19.180 -12.016 1.00 0.00 C ATOM 194 CE LYS A 13 -2.388 18.990 -10.576 1.00 0.00 C ATOM 195 NZ LYS A 13 -3.876 19.012 -10.503 1.00 0.00 N ATOM 0 H LYS A 13 1.787 16.070 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 13 1.960 18.146 -13.019 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.122 17.111 -12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.201 17.858 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.005 20.100 -11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.064 19.467 -13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.317 20.091 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.237 18.352 -12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.019 18.042 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.981 19.778 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.177 18.881 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.227 19.926 -10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.264 18.245 -11.088 1.00 0.00 H new ATOM 209 N VAL A 14 2.864 19.125 -9.970 1.00 0.00 N ATOM 210 CA VAL A 14 3.613 20.210 -9.322 1.00 0.00 C ATOM 211 C VAL A 14 5.089 20.249 -9.750 1.00 0.00 C ATOM 212 O VAL A 14 5.637 21.334 -9.930 1.00 0.00 O ATOM 213 CB VAL A 14 3.454 20.225 -7.791 1.00 0.00 C ATOM 214 CG1 VAL A 14 1.992 20.471 -7.385 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.999 18.998 -7.054 1.00 0.00 C ATOM 0 H VAL A 14 2.567 18.379 -9.341 1.00 0.00 H new ATOM 0 HA VAL A 14 3.158 21.132 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 14 4.083 21.057 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.912 20.476 -6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.662 21.433 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.363 19.679 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.835 19.114 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.484 18.104 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.067 18.901 -7.249 1.00 0.00 H new ATOM 225 N VAL A 15 5.710 19.093 -10.009 1.00 0.00 N ATOM 226 CA VAL A 15 7.080 18.996 -10.546 1.00 0.00 C ATOM 227 C VAL A 15 7.198 19.608 -11.947 1.00 0.00 C ATOM 228 O VAL A 15 8.128 20.372 -12.193 1.00 0.00 O ATOM 229 CB VAL A 15 7.561 17.532 -10.541 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.819 17.269 -11.384 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.861 17.076 -9.109 1.00 0.00 C ATOM 0 H VAL A 15 5.273 18.185 -9.851 1.00 0.00 H new ATOM 0 HA VAL A 15 7.728 19.578 -9.891 1.00 0.00 H new ATOM 0 HB VAL A 15 6.741 16.970 -10.988 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.085 16.214 -11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.622 17.533 -12.423 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.643 17.873 -11.006 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.200 16.040 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.640 17.708 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.957 17.155 -8.505 1.00 0.00 H new ATOM 241 N THR A 16 6.264 19.311 -12.857 1.00 0.00 N ATOM 242 CA THR A 16 6.310 19.798 -14.248 1.00 0.00 C ATOM 243 C THR A 16 5.889 21.260 -14.373 1.00 0.00 C ATOM 244 O THR A 16 6.546 22.010 -15.088 1.00 0.00 O ATOM 245 CB THR A 16 5.497 18.905 -15.199 1.00 0.00 C ATOM 246 OG1 THR A 16 4.198 18.687 -14.706 1.00 0.00 O ATOM 247 CG2 THR A 16 6.168 17.544 -15.395 1.00 0.00 C ATOM 0 H THR A 16 5.453 18.726 -12.654 1.00 0.00 H new ATOM 0 HA THR A 16 7.355 19.740 -14.552 1.00 0.00 H new ATOM 0 HB THR A 16 5.447 19.431 -16.153 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.228 18.018 -13.990 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.568 16.937 -16.073 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.162 17.686 -15.819 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.253 17.038 -14.433 1.00 0.00 H new ATOM 255 N SER A 17 4.849 21.688 -13.659 1.00 0.00 N ATOM 256 CA SER A 17 4.325 23.061 -13.761 1.00 0.00 C ATOM 257 C SER A 17 5.157 24.107 -12.995 1.00 0.00 C ATOM 258 O SER A 17 5.235 25.255 -13.433 1.00 0.00 O ATOM 259 CB SER A 17 2.869 23.111 -13.272 1.00 0.00 C ATOM 260 OG SER A 17 2.019 22.345 -14.115 1.00 0.00 O ATOM 0 H SER A 17 4.344 21.101 -12.995 1.00 0.00 H new ATOM 0 HA SER A 17 4.387 23.324 -14.817 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.812 22.732 -12.252 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.526 24.145 -13.248 1.00 0.00 H new ATOM 0 HG SER A 17 1.099 22.392 -13.781 1.00 0.00 H new ATOM 266 N HIS A 18 5.781 23.742 -11.863 1.00 0.00 N ATOM 267 CA HIS A 18 6.442 24.709 -10.963 1.00 0.00 C ATOM 268 C HIS A 18 7.910 24.384 -10.611 1.00 0.00 C ATOM 269 O HIS A 18 8.576 25.204 -9.977 1.00 0.00 O ATOM 270 CB HIS A 18 5.592 24.836 -9.686 1.00 0.00 C ATOM 271 CG HIS A 18 4.155 25.217 -9.955 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.695 26.457 -10.342 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.069 24.384 -9.915 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.367 26.369 -10.534 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.935 25.117 -10.289 1.00 0.00 N ATOM 0 H HIS A 18 5.843 22.775 -11.545 1.00 0.00 H new ATOM 0 HA HIS A 18 6.501 25.653 -11.504 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.614 23.888 -9.149 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.042 25.583 -9.032 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.084 23.339 -9.642 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.735 27.189 -10.842 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.978 24.773 -10.361 1.00 0.00 H new ATOM 283 N LYS A 19 8.434 23.209 -10.992 1.00 0.00 N ATOM 284 CA LYS A 19 9.850 22.783 -10.902 1.00 0.00 C ATOM 285 C LYS A 19 10.388 22.613 -9.469 1.00 0.00 C ATOM 286 O LYS A 19 10.853 21.529 -9.133 1.00 0.00 O ATOM 287 CB LYS A 19 10.743 23.701 -11.776 1.00 0.00 C ATOM 288 CG LYS A 19 10.415 23.622 -13.281 1.00 0.00 C ATOM 289 CD LYS A 19 10.906 22.317 -13.926 1.00 0.00 C ATOM 290 CE LYS A 19 10.341 22.165 -15.345 1.00 0.00 C ATOM 291 NZ LYS A 19 11.011 21.053 -16.070 1.00 0.00 N ATOM 0 H LYS A 19 7.847 22.480 -11.398 1.00 0.00 H new ATOM 0 HA LYS A 19 9.890 21.771 -11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.629 24.732 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.788 23.430 -11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.337 23.708 -13.419 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.870 24.470 -13.793 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.995 22.311 -13.961 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.601 21.467 -13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.269 21.977 -15.295 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.476 23.096 -15.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.343 20.623 -16.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.833 21.422 -16.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.327 20.334 -15.388 1.00 0.00 H new ATOM 305 N VAL A 20 10.328 23.641 -8.630 1.00 0.00 N ATOM 306 CA VAL A 20 10.758 23.631 -7.218 1.00 0.00 C ATOM 307 C VAL A 20 9.563 23.273 -6.331 1.00 0.00 C ATOM 308 O VAL A 20 8.530 23.939 -6.379 1.00 0.00 O ATOM 309 CB VAL A 20 11.369 24.999 -6.826 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.562 25.175 -5.311 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.740 25.183 -7.502 1.00 0.00 C ATOM 0 H VAL A 20 9.964 24.549 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 20 11.534 22.879 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 20 10.653 25.748 -7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.994 26.156 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.598 25.094 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.232 24.401 -4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.159 26.149 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.413 24.387 -7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.620 25.143 -8.585 1.00 0.00 H new ATOM 321 N VAL A 21 9.710 22.229 -5.512 1.00 0.00 N ATOM 322 CA VAL A 21 8.647 21.666 -4.661 1.00 0.00 C ATOM 323 C VAL A 21 9.192 21.466 -3.244 1.00 0.00 C ATOM 324 O VAL A 21 10.327 21.028 -3.065 1.00 0.00 O ATOM 325 CB VAL A 21 8.130 20.323 -5.240 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.917 19.787 -4.463 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.736 20.434 -6.729 1.00 0.00 C ATOM 0 H VAL A 21 10.597 21.734 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 21 7.807 22.360 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 21 8.966 19.631 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.590 18.846 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.195 19.623 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.105 20.512 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.381 19.467 -7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.944 21.175 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.604 20.739 -7.313 1.00 0.00 H new ATOM 337 N LEU A 22 8.386 21.792 -2.235 1.00 0.00 N ATOM 338 CA LEU A 22 8.675 21.566 -0.818 1.00 0.00 C ATOM 339 C LEU A 22 7.648 20.586 -0.247 1.00 0.00 C ATOM 340 O LEU A 22 6.445 20.840 -0.319 1.00 0.00 O ATOM 341 CB LEU A 22 8.612 22.916 -0.057 1.00 0.00 C ATOM 342 CG LEU A 22 9.956 23.538 0.357 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.721 22.654 1.352 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.821 23.870 -0.862 1.00 0.00 C ATOM 0 H LEU A 22 7.481 22.237 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 22 9.673 21.144 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.082 23.635 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.012 22.773 0.842 1.00 0.00 H new ATOM 0 HG LEU A 22 9.724 24.473 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.663 23.134 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.121 22.515 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.923 21.684 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.763 24.308 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.022 22.958 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.294 24.581 -1.499 1.00 0.00 H new ATOM 356 N PHE A 23 8.120 19.507 0.369 1.00 0.00 N ATOM 357 CA PHE A 23 7.297 18.592 1.160 1.00 0.00 C ATOM 358 C PHE A 23 7.439 19.039 2.615 1.00 0.00 C ATOM 359 O PHE A 23 8.455 18.777 3.253 1.00 0.00 O ATOM 360 CB PHE A 23 7.752 17.147 0.900 1.00 0.00 C ATOM 361 CG PHE A 23 7.578 16.699 -0.542 1.00 0.00 C ATOM 362 CD1 PHE A 23 6.358 16.928 -1.209 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.638 16.076 -1.230 1.00 0.00 C ATOM 364 CE1 PHE A 23 6.206 16.569 -2.557 1.00 0.00 C ATOM 365 CE2 PHE A 23 8.477 15.694 -2.571 1.00 0.00 C ATOM 366 CZ PHE A 23 7.261 15.938 -3.235 1.00 0.00 C ATOM 0 H PHE A 23 9.103 19.237 0.333 1.00 0.00 H new ATOM 0 HA PHE A 23 6.241 18.617 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.802 17.051 1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.189 16.476 1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.534 17.383 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.575 15.892 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.280 16.778 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.289 15.211 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.139 15.640 -4.266 1.00 0.00 H new ATOM 376 N MET A 24 6.436 19.768 3.112 1.00 0.00 N ATOM 377 CA MET A 24 6.489 20.490 4.391 1.00 0.00 C ATOM 378 C MET A 24 5.124 20.491 5.094 1.00 0.00 C ATOM 379 O MET A 24 4.095 20.369 4.441 1.00 0.00 O ATOM 380 CB MET A 24 7.015 21.897 4.036 1.00 0.00 C ATOM 381 CG MET A 24 7.601 22.703 5.197 1.00 0.00 C ATOM 382 SD MET A 24 6.433 23.597 6.247 1.00 0.00 S ATOM 383 CE MET A 24 5.842 24.825 5.051 1.00 0.00 C ATOM 0 H MET A 24 5.545 19.876 2.628 1.00 0.00 H new ATOM 0 HA MET A 24 7.149 20.015 5.117 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.781 21.794 3.267 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.198 22.470 3.597 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.171 22.022 5.828 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.308 23.424 4.786 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.917 25.822 5.486 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.451 24.776 4.148 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.802 24.617 4.799 1.00 0.00 H new ATOM 393 N LYS A 25 5.086 20.550 6.429 1.00 0.00 N ATOM 394 CA LYS A 25 3.848 20.335 7.213 1.00 0.00 C ATOM 395 C LYS A 25 2.857 21.521 7.185 1.00 0.00 C ATOM 396 O LYS A 25 1.674 21.349 7.479 1.00 0.00 O ATOM 397 CB LYS A 25 4.239 19.982 8.661 1.00 0.00 C ATOM 398 CG LYS A 25 5.031 18.665 8.773 1.00 0.00 C ATOM 399 CD LYS A 25 5.353 18.349 10.241 1.00 0.00 C ATOM 400 CE LYS A 25 6.179 17.058 10.349 1.00 0.00 C ATOM 401 NZ LYS A 25 6.522 16.734 11.762 1.00 0.00 N ATOM 0 H LYS A 25 5.906 20.747 7.003 1.00 0.00 H new ATOM 0 HA LYS A 25 3.309 19.513 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.836 20.794 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.336 19.908 9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.453 17.849 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.956 18.741 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.905 19.178 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.428 18.243 10.807 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.619 16.231 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.095 17.164 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.079 15.856 11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.079 17.511 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.648 16.608 12.311 1.00 0.00 H new ATOM 415 N GLY A 26 3.341 22.716 6.837 1.00 0.00 N ATOM 416 CA GLY A 26 2.564 23.959 6.705 1.00 0.00 C ATOM 417 C GLY A 26 2.136 24.245 5.261 1.00 0.00 C ATOM 418 O GLY A 26 2.474 23.494 4.343 1.00 0.00 O ATOM 0 H GLY A 26 4.330 22.854 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.677 23.896 7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.159 24.794 7.074 1.00 0.00 H new ATOM 422 N THR A 27 1.400 25.344 5.067 1.00 0.00 N ATOM 423 CA THR A 27 0.910 25.829 3.761 1.00 0.00 C ATOM 424 C THR A 27 1.746 27.009 3.262 1.00 0.00 C ATOM 425 O THR A 27 2.578 27.558 3.987 1.00 0.00 O ATOM 426 CB THR A 27 -0.573 26.225 3.856 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.734 27.235 4.822 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.479 25.044 4.216 1.00 0.00 C ATOM 0 H THR A 27 1.116 25.946 5.840 1.00 0.00 H new ATOM 0 HA THR A 27 1.010 25.016 3.042 1.00 0.00 H new ATOM 0 HB THR A 27 -0.869 26.581 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.338 27.925 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.514 25.382 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.389 24.271 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.180 24.637 5.182 1.00 0.00 H new ATOM 436 N LYS A 28 1.501 27.436 2.020 1.00 0.00 N ATOM 437 CA LYS A 28 2.178 28.600 1.425 1.00 0.00 C ATOM 438 C LYS A 28 1.843 29.914 2.161 1.00 0.00 C ATOM 439 O LYS A 28 2.707 30.781 2.316 1.00 0.00 O ATOM 440 CB LYS A 28 1.801 28.654 -0.069 1.00 0.00 C ATOM 441 CG LYS A 28 2.645 29.674 -0.850 1.00 0.00 C ATOM 442 CD LYS A 28 2.348 29.693 -2.357 1.00 0.00 C ATOM 443 CE LYS A 28 2.745 28.377 -3.048 1.00 0.00 C ATOM 444 NZ LYS A 28 2.545 28.450 -4.519 1.00 0.00 N ATOM 0 H LYS A 28 0.830 26.988 1.397 1.00 0.00 H new ATOM 0 HA LYS A 28 3.257 28.488 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.931 27.666 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.746 28.910 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.468 30.669 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.701 29.451 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.285 29.876 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.885 30.520 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.790 28.153 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.153 27.558 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.806 27.541 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.546 28.656 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.142 29.205 -4.914 1.00 0.00 H new ATOM 458 N ASP A 29 0.602 30.051 2.641 1.00 0.00 N ATOM 459 CA ASP A 29 0.116 31.210 3.408 1.00 0.00 C ATOM 460 C ASP A 29 0.478 31.167 4.909 1.00 0.00 C ATOM 461 O ASP A 29 0.412 32.202 5.576 1.00 0.00 O ATOM 462 CB ASP A 29 -1.403 31.348 3.217 1.00 0.00 C ATOM 463 CG ASP A 29 -2.216 30.300 3.995 1.00 0.00 C ATOM 464 OD1 ASP A 29 -2.164 29.104 3.625 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.913 30.679 4.966 1.00 0.00 O ATOM 0 H ASP A 29 -0.115 29.339 2.504 1.00 0.00 H new ATOM 0 HA ASP A 29 0.629 32.087 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.712 32.344 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.637 31.264 2.156 1.00 0.00 H new ATOM 470 N PHE A 30 0.879 29.999 5.431 1.00 0.00 N ATOM 471 CA PHE A 30 1.225 29.786 6.838 1.00 0.00 C ATOM 472 C PHE A 30 2.276 28.659 6.987 1.00 0.00 C ATOM 473 O PHE A 30 1.911 27.488 7.162 1.00 0.00 O ATOM 474 CB PHE A 30 -0.054 29.518 7.654 1.00 0.00 C ATOM 475 CG PHE A 30 0.188 29.431 9.150 1.00 0.00 C ATOM 476 CD1 PHE A 30 0.466 30.600 9.885 1.00 0.00 C ATOM 477 CD2 PHE A 30 0.160 28.184 9.805 1.00 0.00 C ATOM 478 CE1 PHE A 30 0.715 30.521 11.268 1.00 0.00 C ATOM 479 CE2 PHE A 30 0.408 28.107 11.188 1.00 0.00 C ATOM 480 CZ PHE A 30 0.686 29.275 11.919 1.00 0.00 C ATOM 0 H PHE A 30 0.973 29.154 4.867 1.00 0.00 H new ATOM 0 HA PHE A 30 1.687 30.689 7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.774 30.312 7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.505 28.586 7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.488 31.558 9.387 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.052 27.285 9.245 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.929 31.418 11.830 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.385 27.150 11.688 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.877 29.215 12.980 1.00 0.00 H new ATOM 490 N PRO A 31 3.581 28.993 6.919 1.00 0.00 N ATOM 491 CA PRO A 31 4.664 28.039 7.129 1.00 0.00 C ATOM 492 C PRO A 31 4.892 27.756 8.623 1.00 0.00 C ATOM 493 O PRO A 31 4.378 28.456 9.495 1.00 0.00 O ATOM 494 CB PRO A 31 5.886 28.677 6.457 1.00 0.00 C ATOM 495 CG PRO A 31 5.647 30.171 6.669 1.00 0.00 C ATOM 496 CD PRO A 31 4.128 30.298 6.554 1.00 0.00 C ATOM 0 HA PRO A 31 4.441 27.062 6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.818 28.347 6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.944 28.423 5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.007 30.503 7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.160 30.772 5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.751 31.077 7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.836 30.573 5.540 1.00 0.00 H new ATOM 504 N GLN A 32 5.702 26.730 8.920 1.00 0.00 N ATOM 505 CA GLN A 32 5.962 26.273 10.298 1.00 0.00 C ATOM 506 C GLN A 32 6.976 27.156 11.060 1.00 0.00 C ATOM 507 O GLN A 32 7.236 26.906 12.238 1.00 0.00 O ATOM 508 CB GLN A 32 6.415 24.799 10.264 1.00 0.00 C ATOM 509 CG GLN A 32 5.355 23.834 9.695 1.00 0.00 C ATOM 510 CD GLN A 32 4.113 23.711 10.581 1.00 0.00 C ATOM 511 OE1 GLN A 32 3.048 24.236 10.281 1.00 0.00 O ATOM 512 NE2 GLN A 32 4.195 23.027 11.706 1.00 0.00 N ATOM 0 H GLN A 32 6.198 26.190 8.211 1.00 0.00 H new ATOM 0 HA GLN A 32 5.030 26.363 10.856 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.322 24.721 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.673 24.485 11.275 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.054 24.178 8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.802 22.848 9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.075 22.584 11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.379 22.941 12.311 1.00 0.00 H new ATOM 521 N CYS A 33 7.553 28.176 10.396 1.00 0.00 N ATOM 522 CA CYS A 33 8.388 29.261 10.960 1.00 0.00 C ATOM 523 C CYS A 33 9.814 28.839 11.395 1.00 0.00 C ATOM 524 O CYS A 33 10.597 29.691 11.829 1.00 0.00 O ATOM 525 CB CYS A 33 7.617 29.991 12.078 1.00 0.00 C ATOM 526 SG CYS A 33 6.089 30.714 11.406 1.00 0.00 S ATOM 0 H CYS A 33 7.443 28.273 9.387 1.00 0.00 H new ATOM 0 HA CYS A 33 8.576 29.957 10.142 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.377 29.294 12.881 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.240 30.774 12.510 1.00 0.00 H new ATOM 0 HG CYS A 33 5.470 29.827 10.685 1.00 0.00 H new ATOM 532 N GLY A 34 10.171 27.555 11.258 1.00 0.00 N ATOM 533 CA GLY A 34 11.512 27.005 11.526 1.00 0.00 C ATOM 534 C GLY A 34 12.415 27.019 10.291 1.00 0.00 C ATOM 535 O GLY A 34 12.260 27.853 9.398 1.00 0.00 O ATOM 0 H GLY A 34 9.511 26.842 10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.984 27.581 12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.414 25.981 11.888 1.00 0.00 H new ATOM 539 N PHE A 35 13.347 26.063 10.217 1.00 0.00 N ATOM 540 CA PHE A 35 14.302 25.927 9.105 1.00 0.00 C ATOM 541 C PHE A 35 13.620 25.703 7.746 1.00 0.00 C ATOM 542 O PHE A 35 14.150 26.089 6.709 1.00 0.00 O ATOM 543 CB PHE A 35 15.275 24.782 9.426 1.00 0.00 C ATOM 544 CG PHE A 35 16.069 24.969 10.706 1.00 0.00 C ATOM 545 CD1 PHE A 35 17.129 25.897 10.747 1.00 0.00 C ATOM 546 CD2 PHE A 35 15.754 24.220 11.857 1.00 0.00 C ATOM 547 CE1 PHE A 35 17.862 26.081 11.934 1.00 0.00 C ATOM 548 CE2 PHE A 35 16.489 24.403 13.044 1.00 0.00 C ATOM 549 CZ PHE A 35 17.543 25.334 13.081 1.00 0.00 C ATOM 0 H PHE A 35 13.463 25.350 10.937 1.00 0.00 H new ATOM 0 HA PHE A 35 14.843 26.868 9.011 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.711 23.852 9.496 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.971 24.670 8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 35 17.379 26.468 9.865 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.946 23.503 11.829 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.670 26.797 11.964 1.00 0.00 H new ATOM 0 HE2 PHE A 35 16.244 23.829 13.925 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.107 25.475 13.991 1.00 0.00 H new ATOM 559 N SER A 36 12.411 25.146 7.740 1.00 0.00 N ATOM 560 CA SER A 36 11.543 25.038 6.559 1.00 0.00 C ATOM 561 C SER A 36 11.220 26.420 5.967 1.00 0.00 C ATOM 562 O SER A 36 11.435 26.649 4.776 1.00 0.00 O ATOM 563 CB SER A 36 10.257 24.318 6.986 1.00 0.00 C ATOM 564 OG SER A 36 9.745 24.876 8.189 1.00 0.00 O ATOM 0 H SER A 36 11.992 24.744 8.579 1.00 0.00 H new ATOM 0 HA SER A 36 12.055 24.475 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.510 24.397 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.459 23.256 7.129 1.00 0.00 H new ATOM 0 HG SER A 36 9.268 24.184 8.693 1.00 0.00 H new ATOM 570 N GLN A 37 10.804 27.378 6.807 1.00 0.00 N ATOM 571 CA GLN A 37 10.599 28.772 6.402 1.00 0.00 C ATOM 572 C GLN A 37 11.903 29.356 5.845 1.00 0.00 C ATOM 573 O GLN A 37 11.862 29.959 4.780 1.00 0.00 O ATOM 574 CB GLN A 37 10.031 29.586 7.580 1.00 0.00 C ATOM 575 CG GLN A 37 9.574 31.019 7.223 1.00 0.00 C ATOM 576 CD GLN A 37 10.695 32.048 7.012 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.693 32.822 6.062 1.00 0.00 O ATOM 578 NE2 GLN A 37 11.684 32.123 7.884 1.00 0.00 N ATOM 0 H GLN A 37 10.600 27.205 7.791 1.00 0.00 H new ATOM 0 HA GLN A 37 9.863 28.821 5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.184 29.045 8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.790 29.646 8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.974 30.972 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.921 31.380 8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.708 31.490 8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.424 32.814 7.758 1.00 0.00 H new ATOM 587 N THR A 38 13.062 29.097 6.473 1.00 0.00 N ATOM 588 CA THR A 38 14.373 29.521 5.961 1.00 0.00 C ATOM 589 C THR A 38 14.663 28.939 4.578 1.00 0.00 C ATOM 590 O THR A 38 15.022 29.689 3.677 1.00 0.00 O ATOM 591 CB THR A 38 15.476 29.164 6.970 1.00 0.00 C ATOM 592 OG1 THR A 38 15.046 29.502 8.270 1.00 0.00 O ATOM 593 CG2 THR A 38 16.743 29.961 6.682 1.00 0.00 C ATOM 0 H THR A 38 13.115 28.585 7.354 1.00 0.00 H new ATOM 0 HA THR A 38 14.354 30.604 5.841 1.00 0.00 H new ATOM 0 HB THR A 38 15.681 28.097 6.888 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.747 29.274 8.916 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.513 29.695 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.096 29.732 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.527 31.027 6.757 1.00 0.00 H new ATOM 601 N VAL A 39 14.435 27.640 4.369 1.00 0.00 N ATOM 602 CA VAL A 39 14.552 26.982 3.048 1.00 0.00 C ATOM 603 C VAL A 39 13.609 27.618 2.015 1.00 0.00 C ATOM 604 O VAL A 39 14.045 27.938 0.910 1.00 0.00 O ATOM 605 CB VAL A 39 14.315 25.455 3.148 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.070 24.784 1.785 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.511 24.777 3.832 1.00 0.00 C ATOM 0 H VAL A 39 14.160 27.001 5.115 1.00 0.00 H new ATOM 0 HA VAL A 39 15.575 27.136 2.704 1.00 0.00 H new ATOM 0 HB VAL A 39 13.409 25.328 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.912 23.715 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.188 25.222 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.937 24.939 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.333 23.704 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.415 24.960 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.636 25.185 4.835 1.00 0.00 H new ATOM 617 N VAL A 40 12.342 27.856 2.378 1.00 0.00 N ATOM 618 CA VAL A 40 11.371 28.555 1.511 1.00 0.00 C ATOM 619 C VAL A 40 11.861 29.971 1.161 1.00 0.00 C ATOM 620 O VAL A 40 11.825 30.359 -0.003 1.00 0.00 O ATOM 621 CB VAL A 40 9.964 28.578 2.162 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.008 29.575 1.493 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.326 27.176 2.114 1.00 0.00 C ATOM 0 H VAL A 40 11.957 27.572 3.279 1.00 0.00 H new ATOM 0 HA VAL A 40 11.289 28.001 0.576 1.00 0.00 H new ATOM 0 HB VAL A 40 10.114 28.898 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.041 29.544 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.422 30.581 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.882 29.310 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.339 27.209 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.231 26.855 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.956 26.471 2.656 1.00 0.00 H new ATOM 633 N GLN A 41 12.360 30.724 2.146 1.00 0.00 N ATOM 634 CA GLN A 41 12.874 32.087 1.977 1.00 0.00 C ATOM 635 C GLN A 41 14.135 32.129 1.099 1.00 0.00 C ATOM 636 O GLN A 41 14.264 33.021 0.267 1.00 0.00 O ATOM 637 CB GLN A 41 13.134 32.689 3.368 1.00 0.00 C ATOM 638 CG GLN A 41 13.173 34.226 3.374 1.00 0.00 C ATOM 639 CD GLN A 41 11.821 34.853 3.020 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.665 35.524 2.008 1.00 0.00 O ATOM 641 NE2 GLN A 41 10.783 34.638 3.805 1.00 0.00 N ATOM 0 H GLN A 41 12.419 30.393 3.109 1.00 0.00 H new ATOM 0 HA GLN A 41 12.127 32.684 1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.356 32.351 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.082 32.308 3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.483 34.574 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.925 34.569 2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.891 34.082 4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.872 35.028 3.564 1.00 0.00 H new ATOM 650 N ILE A 42 15.036 31.151 1.234 1.00 0.00 N ATOM 651 CA ILE A 42 16.251 31.003 0.411 1.00 0.00 C ATOM 652 C ILE A 42 15.883 30.870 -1.072 1.00 0.00 C ATOM 653 O ILE A 42 16.410 31.614 -1.895 1.00 0.00 O ATOM 654 CB ILE A 42 17.095 29.810 0.945 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.903 30.278 2.178 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.039 29.210 -0.116 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.540 29.136 2.981 1.00 0.00 C ATOM 0 H ILE A 42 14.942 30.418 1.937 1.00 0.00 H new ATOM 0 HA ILE A 42 16.870 31.897 0.489 1.00 0.00 H new ATOM 0 HB ILE A 42 16.402 29.014 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.689 30.957 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.245 30.847 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.598 28.383 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.453 28.846 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.734 29.976 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.088 29.548 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.760 28.467 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.225 28.580 2.342 1.00 0.00 H new ATOM 669 N LEU A 43 14.941 29.984 -1.415 1.00 0.00 N ATOM 670 CA LEU A 43 14.460 29.786 -2.791 1.00 0.00 C ATOM 671 C LEU A 43 13.771 31.050 -3.325 1.00 0.00 C ATOM 672 O LEU A 43 14.106 31.560 -4.398 1.00 0.00 O ATOM 673 CB LEU A 43 13.492 28.589 -2.790 1.00 0.00 C ATOM 674 CG LEU A 43 14.168 27.239 -2.472 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.093 26.227 -2.062 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.969 26.726 -3.674 1.00 0.00 C ATOM 0 H LEU A 43 14.484 29.375 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 43 15.303 29.584 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.705 28.771 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.011 28.522 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 43 14.870 27.376 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.562 25.270 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.568 26.592 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.383 26.099 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.434 25.773 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.301 26.589 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.742 27.450 -3.932 1.00 0.00 H new ATOM 688 N LYS A 44 12.837 31.587 -2.535 1.00 0.00 N ATOM 689 CA LYS A 44 12.086 32.795 -2.865 1.00 0.00 C ATOM 690 C LYS A 44 13.035 33.957 -3.199 1.00 0.00 C ATOM 691 O LYS A 44 13.002 34.463 -4.321 1.00 0.00 O ATOM 692 CB LYS A 44 11.122 33.082 -1.701 1.00 0.00 C ATOM 693 CG LYS A 44 10.149 34.230 -1.997 1.00 0.00 C ATOM 694 CD LYS A 44 9.110 34.328 -0.870 1.00 0.00 C ATOM 695 CE LYS A 44 8.057 35.418 -1.125 1.00 0.00 C ATOM 696 NZ LYS A 44 8.608 36.798 -0.997 1.00 0.00 N ATOM 0 H LYS A 44 12.579 31.185 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 44 11.490 32.659 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.553 32.180 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.700 33.324 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.695 35.169 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.650 34.061 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.611 33.366 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.620 34.534 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.642 35.289 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.235 35.294 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.854 37.491 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.980 36.936 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.375 36.931 -1.687 1.00 0.00 H new ATOM 710 N SER A 45 13.922 34.307 -2.258 1.00 0.00 N ATOM 711 CA SER A 45 14.895 35.409 -2.356 1.00 0.00 C ATOM 712 C SER A 45 16.023 35.188 -3.384 1.00 0.00 C ATOM 713 O SER A 45 16.514 36.171 -3.950 1.00 0.00 O ATOM 714 CB SER A 45 15.483 35.742 -0.972 1.00 0.00 C ATOM 715 OG SER A 45 16.219 34.667 -0.404 1.00 0.00 O ATOM 0 H SER A 45 13.986 33.810 -1.369 1.00 0.00 H new ATOM 0 HA SER A 45 14.325 36.259 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.133 36.612 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.673 36.016 -0.296 1.00 0.00 H new ATOM 0 HG SER A 45 15.598 33.991 -0.061 1.00 0.00 H new ATOM 721 N LEU A 46 16.404 33.934 -3.682 1.00 0.00 N ATOM 722 CA LEU A 46 17.298 33.602 -4.801 1.00 0.00 C ATOM 723 C LEU A 46 16.680 34.089 -6.126 1.00 0.00 C ATOM 724 O LEU A 46 17.419 34.527 -7.008 1.00 0.00 O ATOM 725 CB LEU A 46 17.556 32.081 -4.792 1.00 0.00 C ATOM 726 CG LEU A 46 18.286 31.497 -6.018 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.693 32.086 -6.201 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.376 29.973 -5.864 1.00 0.00 C ATOM 0 H LEU A 46 16.098 33.119 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 46 18.258 34.108 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.138 31.839 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.597 31.573 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 46 17.713 31.761 -6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.163 31.641 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.621 33.165 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.295 31.871 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.891 29.550 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.929 29.731 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.372 29.554 -5.799 1.00 0.00 H new ATOM 740 N ASN A 47 15.343 34.019 -6.214 1.00 0.00 N ATOM 741 CA ASN A 47 14.417 34.581 -7.218 1.00 0.00 C ATOM 742 C ASN A 47 13.650 33.451 -7.919 1.00 0.00 C ATOM 743 O ASN A 47 13.841 33.196 -9.112 1.00 0.00 O ATOM 744 CB ASN A 47 15.048 35.598 -8.197 1.00 0.00 C ATOM 745 CG ASN A 47 14.014 36.332 -9.054 1.00 0.00 C ATOM 746 OD1 ASN A 47 12.816 36.329 -8.786 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.453 36.993 -10.111 1.00 0.00 N ATOM 0 H ASN A 47 14.821 33.508 -5.502 1.00 0.00 H new ATOM 0 HA ASN A 47 13.702 35.194 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.625 36.329 -7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.748 35.077 -8.850 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.796 37.501 -10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.448 36.996 -10.334 1.00 0.00 H new ATOM 754 N ALA A 48 12.814 32.736 -7.157 1.00 0.00 N ATOM 755 CA ALA A 48 12.115 31.546 -7.662 1.00 0.00 C ATOM 756 C ALA A 48 10.775 31.255 -6.947 1.00 0.00 C ATOM 757 O ALA A 48 10.659 31.527 -5.748 1.00 0.00 O ATOM 758 CB ALA A 48 13.065 30.340 -7.554 1.00 0.00 C ATOM 0 H ALA A 48 12.604 32.961 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 48 11.847 31.738 -8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.562 29.447 -7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.959 30.527 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.347 30.191 -6.512 1.00 0.00 H new ATOM 764 N PRO A 49 9.779 30.674 -7.651 1.00 0.00 N ATOM 765 CA PRO A 49 8.558 30.154 -7.043 1.00 0.00 C ATOM 766 C PRO A 49 8.835 28.826 -6.326 1.00 0.00 C ATOM 767 O PRO A 49 9.902 28.230 -6.474 1.00 0.00 O ATOM 768 CB PRO A 49 7.573 29.985 -8.204 1.00 0.00 C ATOM 769 CG PRO A 49 8.490 29.617 -9.367 1.00 0.00 C ATOM 770 CD PRO A 49 9.738 30.455 -9.094 1.00 0.00 C ATOM 0 HA PRO A 49 8.155 30.821 -6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.840 29.204 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.017 30.902 -8.401 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.715 28.551 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.041 29.862 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.635 29.938 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.694 31.403 -9.630 1.00 0.00 H new ATOM 778 N PHE A 50 7.850 28.350 -5.558 1.00 0.00 N ATOM 779 CA PHE A 50 7.926 27.111 -4.786 1.00 0.00 C ATOM 780 C PHE A 50 6.521 26.540 -4.537 1.00 0.00 C ATOM 781 O PHE A 50 5.573 27.291 -4.299 1.00 0.00 O ATOM 782 CB PHE A 50 8.682 27.370 -3.465 1.00 0.00 C ATOM 783 CG PHE A 50 7.964 28.303 -2.504 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.087 29.698 -2.646 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.140 27.776 -1.492 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.363 30.561 -1.805 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.418 28.637 -0.648 1.00 0.00 C ATOM 788 CZ PHE A 50 6.525 30.032 -0.808 1.00 0.00 C ATOM 0 H PHE A 50 6.956 28.830 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 50 8.479 26.363 -5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.854 26.416 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.661 27.790 -3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.740 30.107 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.062 26.706 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.451 31.631 -1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.781 28.229 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.964 30.695 -0.166 1.00 0.00 H new ATOM 798 N GLU A 51 6.390 25.210 -4.554 1.00 0.00 N ATOM 799 CA GLU A 51 5.158 24.505 -4.175 1.00 0.00 C ATOM 800 C GLU A 51 5.345 23.831 -2.818 1.00 0.00 C ATOM 801 O GLU A 51 5.762 22.681 -2.723 1.00 0.00 O ATOM 802 CB GLU A 51 4.752 23.496 -5.266 1.00 0.00 C ATOM 803 CG GLU A 51 4.138 24.184 -6.488 1.00 0.00 C ATOM 804 CD GLU A 51 2.788 24.838 -6.155 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.776 24.108 -6.043 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.739 26.078 -5.976 1.00 0.00 O ATOM 0 H GLU A 51 7.145 24.584 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 51 4.344 25.224 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.627 22.924 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.036 22.785 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.826 24.941 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.002 23.454 -7.286 1.00 0.00 H new ATOM 813 N SER A 52 5.027 24.540 -1.736 1.00 0.00 N ATOM 814 CA SER A 52 4.973 23.970 -0.385 1.00 0.00 C ATOM 815 C SER A 52 3.732 23.066 -0.247 1.00 0.00 C ATOM 816 O SER A 52 2.689 23.482 0.260 1.00 0.00 O ATOM 817 CB SER A 52 5.012 25.100 0.660 1.00 0.00 C ATOM 818 OG SER A 52 4.023 26.080 0.390 1.00 0.00 O ATOM 0 H SER A 52 4.797 25.533 -1.769 1.00 0.00 H new ATOM 0 HA SER A 52 5.845 23.341 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.854 24.685 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.998 25.565 0.661 1.00 0.00 H new ATOM 0 HG SER A 52 3.155 25.643 0.262 1.00 0.00 H new ATOM 824 N VAL A 53 3.857 21.828 -0.734 1.00 0.00 N ATOM 825 CA VAL A 53 2.860 20.759 -0.612 1.00 0.00 C ATOM 826 C VAL A 53 2.700 20.413 0.874 1.00 0.00 C ATOM 827 O VAL A 53 3.648 19.949 1.509 1.00 0.00 O ATOM 828 CB VAL A 53 3.277 19.514 -1.431 1.00 0.00 C ATOM 829 CG1 VAL A 53 2.334 18.319 -1.213 1.00 0.00 C ATOM 830 CG2 VAL A 53 3.329 19.831 -2.936 1.00 0.00 C ATOM 0 H VAL A 53 4.689 21.531 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 53 1.906 21.099 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 53 4.269 19.241 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.674 17.474 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.336 18.042 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.323 18.594 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.625 18.938 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.345 20.156 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.054 20.624 -3.116 1.00 0.00 H new ATOM 840 N ASN A 54 1.500 20.650 1.417 1.00 0.00 N ATOM 841 CA ASN A 54 1.186 20.507 2.840 1.00 0.00 C ATOM 842 C ASN A 54 1.040 19.027 3.249 1.00 0.00 C ATOM 843 O ASN A 54 -0.020 18.418 3.094 1.00 0.00 O ATOM 844 CB ASN A 54 -0.028 21.381 3.212 1.00 0.00 C ATOM 845 CG ASN A 54 -1.337 21.006 2.517 1.00 0.00 C ATOM 846 OD1 ASN A 54 -1.413 20.882 1.298 1.00 0.00 O ATOM 847 ND2 ASN A 54 -2.414 20.846 3.264 1.00 0.00 N ATOM 0 H ASN A 54 0.700 20.955 0.862 1.00 0.00 H new ATOM 0 HA ASN A 54 2.027 20.878 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.179 21.326 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.206 22.419 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.308 20.620 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.352 20.949 4.277 1.00 0.00 H new ATOM 854 N ILE A 55 2.128 18.433 3.752 1.00 0.00 N ATOM 855 CA ILE A 55 2.165 17.036 4.235 1.00 0.00 C ATOM 856 C ILE A 55 1.461 16.896 5.599 1.00 0.00 C ATOM 857 O ILE A 55 1.062 17.892 6.205 1.00 0.00 O ATOM 858 CB ILE A 55 3.612 16.453 4.230 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.462 16.901 5.440 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.298 16.773 2.891 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.920 16.424 5.423 1.00 0.00 C ATOM 0 H ILE A 55 3.025 18.911 3.839 1.00 0.00 H new ATOM 0 HA ILE A 55 1.599 16.426 3.530 1.00 0.00 H new ATOM 0 HB ILE A 55 3.527 15.371 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.453 17.990 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.988 16.538 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.308 16.364 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.728 16.329 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.345 17.853 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.433 16.789 6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.946 15.334 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.418 16.809 4.533 1.00 0.00 H new ATOM 873 N LEU A 56 1.315 15.655 6.081 1.00 0.00 N ATOM 874 CA LEU A 56 0.813 15.276 7.417 1.00 0.00 C ATOM 875 C LEU A 56 -0.715 15.418 7.532 1.00 0.00 C ATOM 876 O LEU A 56 -1.374 14.488 7.989 1.00 0.00 O ATOM 877 CB LEU A 56 1.566 16.050 8.540 1.00 0.00 C ATOM 878 CG LEU A 56 2.211 15.174 9.631 1.00 0.00 C ATOM 879 CD1 LEU A 56 1.188 14.282 10.354 1.00 0.00 C ATOM 880 CD2 LEU A 56 3.360 14.329 9.057 1.00 0.00 C ATOM 0 H LEU A 56 1.557 14.838 5.520 1.00 0.00 H new ATOM 0 HA LEU A 56 1.026 14.216 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.345 16.658 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.866 16.736 9.016 1.00 0.00 H new ATOM 0 HG LEU A 56 2.621 15.857 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.696 13.686 11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.433 14.907 10.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.709 13.620 9.633 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.796 13.721 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.976 13.679 8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.124 14.987 8.643 1.00 0.00 H new ATOM 892 N GLU A 57 -1.278 16.538 7.075 1.00 0.00 N ATOM 893 CA GLU A 57 -2.726 16.799 7.076 1.00 0.00 C ATOM 894 C GLU A 57 -3.496 15.825 6.163 1.00 0.00 C ATOM 895 O GLU A 57 -4.573 15.348 6.532 1.00 0.00 O ATOM 896 CB GLU A 57 -3.001 18.245 6.628 1.00 0.00 C ATOM 897 CG GLU A 57 -2.375 19.295 7.555 1.00 0.00 C ATOM 898 CD GLU A 57 -2.827 20.708 7.161 1.00 0.00 C ATOM 899 OE1 GLU A 57 -2.411 21.203 6.088 1.00 0.00 O ATOM 900 OE2 GLU A 57 -3.608 21.328 7.925 1.00 0.00 O ATOM 0 H GLU A 57 -0.733 17.307 6.685 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.079 16.648 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.615 18.385 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.078 18.406 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.660 19.092 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.288 19.229 7.505 1.00 0.00 H new ATOM 907 N ASN A 58 -2.937 15.502 4.990 1.00 0.00 N ATOM 908 CA ASN A 58 -3.473 14.503 4.057 1.00 0.00 C ATOM 909 C ASN A 58 -2.787 13.143 4.284 1.00 0.00 C ATOM 910 O ASN A 58 -1.562 13.039 4.189 1.00 0.00 O ATOM 911 CB ASN A 58 -3.283 15.028 2.618 1.00 0.00 C ATOM 912 CG ASN A 58 -3.868 14.133 1.526 1.00 0.00 C ATOM 913 OD1 ASN A 58 -4.283 13.004 1.755 1.00 0.00 O ATOM 914 ND2 ASN A 58 -3.896 14.606 0.294 1.00 0.00 N ATOM 0 H ASN A 58 -2.078 15.939 4.655 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.538 14.346 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.740 16.015 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.217 15.156 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.263 14.031 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.551 15.546 0.101 1.00 0.00 H new ATOM 921 N GLU A 59 -3.568 12.088 4.541 1.00 0.00 N ATOM 922 CA GLU A 59 -3.062 10.732 4.813 1.00 0.00 C ATOM 923 C GLU A 59 -2.356 10.097 3.601 1.00 0.00 C ATOM 924 O GLU A 59 -1.453 9.278 3.783 1.00 0.00 O ATOM 925 CB GLU A 59 -4.208 9.824 5.292 1.00 0.00 C ATOM 926 CG GLU A 59 -4.770 10.255 6.652 1.00 0.00 C ATOM 927 CD GLU A 59 -5.857 9.283 7.133 1.00 0.00 C ATOM 928 OE1 GLU A 59 -7.050 9.495 6.808 1.00 0.00 O ATOM 929 OE2 GLU A 59 -5.528 8.297 7.836 1.00 0.00 O ATOM 0 H GLU A 59 -4.586 12.150 4.567 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.313 10.829 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.008 9.834 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.849 8.797 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.965 10.297 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.184 11.260 6.576 1.00 0.00 H new ATOM 936 N LEU A 60 -2.707 10.491 2.368 1.00 0.00 N ATOM 937 CA LEU A 60 -2.079 9.974 1.144 1.00 0.00 C ATOM 938 C LEU A 60 -0.591 10.336 1.056 1.00 0.00 C ATOM 939 O LEU A 60 0.222 9.510 0.644 1.00 0.00 O ATOM 940 CB LEU A 60 -2.829 10.499 -0.097 1.00 0.00 C ATOM 941 CG LEU A 60 -4.320 10.123 -0.207 1.00 0.00 C ATOM 942 CD1 LEU A 60 -4.909 10.780 -1.465 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.524 8.603 -0.275 1.00 0.00 C ATOM 0 H LEU A 60 -3.438 11.180 2.192 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.145 8.887 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.749 11.586 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.317 10.131 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.829 10.483 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.964 10.520 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.807 11.863 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.374 10.424 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.589 8.382 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.007 8.205 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.122 8.141 0.627 1.00 0.00 H new ATOM 955 N LEU A 61 -0.215 11.554 1.471 1.00 0.00 N ATOM 956 CA LEU A 61 1.177 12.032 1.439 1.00 0.00 C ATOM 957 C LEU A 61 2.059 11.311 2.470 1.00 0.00 C ATOM 958 O LEU A 61 3.224 11.054 2.175 1.00 0.00 O ATOM 959 CB LEU A 61 1.195 13.566 1.645 1.00 0.00 C ATOM 960 CG LEU A 61 0.588 14.389 0.484 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.433 15.854 0.913 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.455 14.352 -0.785 1.00 0.00 C ATOM 0 H LEU A 61 -0.872 12.241 1.841 1.00 0.00 H new ATOM 0 HA LEU A 61 1.602 11.799 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.651 13.801 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.226 13.885 1.796 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.377 13.939 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.005 16.430 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.226 15.912 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.410 16.262 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.981 14.946 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.440 14.762 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.559 13.322 -1.125 1.00 0.00 H new ATOM 974 N ARG A 62 1.504 10.922 3.632 1.00 0.00 N ATOM 975 CA ARG A 62 2.240 10.238 4.717 1.00 0.00 C ATOM 976 C ARG A 62 2.952 8.962 4.233 1.00 0.00 C ATOM 977 O ARG A 62 4.109 8.729 4.583 1.00 0.00 O ATOM 978 CB ARG A 62 1.299 9.870 5.884 1.00 0.00 C ATOM 979 CG ARG A 62 0.589 11.058 6.556 1.00 0.00 C ATOM 980 CD ARG A 62 -0.289 10.550 7.710 1.00 0.00 C ATOM 981 NE ARG A 62 -1.122 11.623 8.281 1.00 0.00 N ATOM 982 CZ ARG A 62 -1.974 11.509 9.294 1.00 0.00 C ATOM 983 NH1 ARG A 62 -2.181 10.366 9.915 1.00 0.00 N ATOM 984 NH2 ARG A 62 -2.632 12.575 9.693 1.00 0.00 N ATOM 0 H ARG A 62 0.519 11.075 3.849 1.00 0.00 H new ATOM 0 HA ARG A 62 2.995 10.946 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.543 9.178 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.876 9.338 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.325 11.769 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.023 11.588 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.930 9.745 7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.345 10.129 8.490 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.036 12.546 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.679 9.528 9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.844 10.319 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.484 13.470 9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.290 12.507 10.469 1.00 0.00 H new ATOM 998 N GLN A 63 2.267 8.146 3.423 1.00 0.00 N ATOM 999 CA GLN A 63 2.817 6.934 2.812 1.00 0.00 C ATOM 1000 C GLN A 63 3.429 7.231 1.433 1.00 0.00 C ATOM 1001 O GLN A 63 4.539 6.786 1.138 1.00 0.00 O ATOM 1002 CB GLN A 63 1.674 5.903 2.716 1.00 0.00 C ATOM 1003 CG GLN A 63 2.167 4.545 2.192 1.00 0.00 C ATOM 1004 CD GLN A 63 1.055 3.493 2.147 1.00 0.00 C ATOM 1005 OE1 GLN A 63 0.547 3.129 1.092 1.00 0.00 O ATOM 1006 NE2 GLN A 63 0.625 2.964 3.279 1.00 0.00 N ATOM 0 H GLN A 63 1.294 8.315 3.170 1.00 0.00 H new ATOM 0 HA GLN A 63 3.627 6.537 3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.222 5.770 3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.895 6.285 2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.581 4.674 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.976 4.186 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.036 3.255 4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.118 2.265 3.266 1.00 0.00 H new ATOM 1015 N GLY A 64 2.725 8.000 0.591 1.00 0.00 N ATOM 1016 CA GLY A 64 3.074 8.179 -0.820 1.00 0.00 C ATOM 1017 C GLY A 64 4.391 8.905 -1.063 1.00 0.00 C ATOM 1018 O GLY A 64 5.104 8.540 -1.993 1.00 0.00 O ATOM 0 H GLY A 64 1.893 8.517 0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.122 7.199 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.274 8.733 -1.311 1.00 0.00 H new ATOM 1022 N LEU A 65 4.756 9.883 -0.227 1.00 0.00 N ATOM 1023 CA LEU A 65 6.034 10.594 -0.365 1.00 0.00 C ATOM 1024 C LEU A 65 7.217 9.723 0.057 1.00 0.00 C ATOM 1025 O LEU A 65 8.231 9.689 -0.641 1.00 0.00 O ATOM 1026 CB LEU A 65 5.999 11.893 0.452 1.00 0.00 C ATOM 1027 CG LEU A 65 4.990 12.944 -0.039 1.00 0.00 C ATOM 1028 CD1 LEU A 65 5.054 14.141 0.911 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.299 13.406 -1.464 1.00 0.00 C ATOM 0 H LEU A 65 4.183 10.202 0.555 1.00 0.00 H new ATOM 0 HA LEU A 65 6.173 10.836 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.768 11.646 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.995 12.336 0.444 1.00 0.00 H new ATOM 0 HG LEU A 65 3.994 12.500 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.346 14.903 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.800 13.818 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.062 14.556 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.563 14.148 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.295 13.847 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.259 12.552 -2.140 1.00 0.00 H new ATOM 1041 N LYS A 66 7.092 8.974 1.157 1.00 0.00 N ATOM 1042 CA LYS A 66 8.124 8.024 1.600 1.00 0.00 C ATOM 1043 C LYS A 66 8.360 6.918 0.551 1.00 0.00 C ATOM 1044 O LYS A 66 9.510 6.588 0.257 1.00 0.00 O ATOM 1045 CB LYS A 66 7.729 7.426 2.962 1.00 0.00 C ATOM 1046 CG LYS A 66 7.764 8.468 4.092 1.00 0.00 C ATOM 1047 CD LYS A 66 7.459 7.831 5.453 1.00 0.00 C ATOM 1048 CE LYS A 66 7.527 8.901 6.552 1.00 0.00 C ATOM 1049 NZ LYS A 66 7.282 8.324 7.902 1.00 0.00 N ATOM 0 H LYS A 66 6.275 9.007 1.766 1.00 0.00 H new ATOM 0 HA LYS A 66 9.066 8.562 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.727 7.002 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.405 6.607 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.746 8.941 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.038 9.254 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.470 7.374 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.174 7.036 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.506 9.379 6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.789 9.677 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.336 9.078 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.337 7.890 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.001 7.601 8.106 1.00 0.00 H new ATOM 1063 N GLU A 67 7.288 6.405 -0.066 1.00 0.00 N ATOM 1064 CA GLU A 67 7.359 5.408 -1.143 1.00 0.00 C ATOM 1065 C GLU A 67 8.023 5.992 -2.411 1.00 0.00 C ATOM 1066 O GLU A 67 9.002 5.434 -2.911 1.00 0.00 O ATOM 1067 CB GLU A 67 5.943 4.866 -1.430 1.00 0.00 C ATOM 1068 CG GLU A 67 5.909 3.459 -2.046 1.00 0.00 C ATOM 1069 CD GLU A 67 6.445 3.372 -3.485 1.00 0.00 C ATOM 1070 OE1 GLU A 67 5.951 4.109 -4.371 1.00 0.00 O ATOM 1071 OE2 GLU A 67 7.319 2.512 -3.750 1.00 0.00 O ATOM 0 H GLU A 67 6.333 6.674 0.172 1.00 0.00 H new ATOM 0 HA GLU A 67 7.990 4.579 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.377 4.854 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.434 5.556 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.491 2.787 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.881 3.097 -2.034 1.00 0.00 H new ATOM 1078 N TYR A 68 7.537 7.141 -2.900 1.00 0.00 N ATOM 1079 CA TYR A 68 7.987 7.757 -4.157 1.00 0.00 C ATOM 1080 C TYR A 68 9.433 8.288 -4.102 1.00 0.00 C ATOM 1081 O TYR A 68 10.182 8.146 -5.069 1.00 0.00 O ATOM 1082 CB TYR A 68 7.000 8.886 -4.494 1.00 0.00 C ATOM 1083 CG TYR A 68 7.199 9.590 -5.824 1.00 0.00 C ATOM 1084 CD1 TYR A 68 7.058 8.884 -7.034 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.417 10.980 -5.852 1.00 0.00 C ATOM 1086 CE1 TYR A 68 7.111 9.559 -8.268 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.447 11.667 -7.080 1.00 0.00 C ATOM 1088 CZ TYR A 68 7.294 10.960 -8.292 1.00 0.00 C ATOM 1089 OH TYR A 68 7.318 11.629 -9.476 1.00 0.00 O ATOM 0 H TYR A 68 6.809 7.677 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 68 7.999 6.993 -4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.991 8.473 -4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.054 9.633 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.908 7.815 -7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.562 11.521 -4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.012 9.009 -9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.587 12.738 -7.095 1.00 0.00 H new ATOM 0 HH TYR A 68 7.452 12.585 -9.309 1.00 0.00 H new ATOM 1099 N SER A 69 9.840 8.875 -2.974 1.00 0.00 N ATOM 1100 CA SER A 69 11.204 9.401 -2.787 1.00 0.00 C ATOM 1101 C SER A 69 12.226 8.348 -2.319 1.00 0.00 C ATOM 1102 O SER A 69 13.412 8.479 -2.616 1.00 0.00 O ATOM 1103 CB SER A 69 11.182 10.554 -1.770 1.00 0.00 C ATOM 1104 OG SER A 69 10.831 10.101 -0.471 1.00 0.00 O ATOM 0 H SER A 69 9.237 9.001 -2.161 1.00 0.00 H new ATOM 0 HA SER A 69 11.528 9.742 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.162 11.029 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.471 11.313 -2.095 1.00 0.00 H new ATOM 0 HG SER A 69 9.898 9.800 -0.471 1.00 0.00 H new ATOM 1110 N SER A 70 11.777 7.319 -1.588 1.00 0.00 N ATOM 1111 CA SER A 70 12.574 6.314 -0.851 1.00 0.00 C ATOM 1112 C SER A 70 13.166 6.871 0.467 1.00 0.00 C ATOM 1113 O SER A 70 13.757 6.120 1.248 1.00 0.00 O ATOM 1114 CB SER A 70 13.683 5.663 -1.703 1.00 0.00 C ATOM 1115 OG SER A 70 13.182 5.148 -2.929 1.00 0.00 O ATOM 0 H SER A 70 10.776 7.150 -1.485 1.00 0.00 H new ATOM 0 HA SER A 70 11.860 5.530 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.460 6.399 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.150 4.858 -1.136 1.00 0.00 H new ATOM 0 HG SER A 70 13.916 4.746 -3.439 1.00 0.00 H new ATOM 1121 N TRP A 71 12.998 8.171 0.753 1.00 0.00 N ATOM 1122 CA TRP A 71 13.437 8.808 1.998 1.00 0.00 C ATOM 1123 C TRP A 71 12.483 8.476 3.170 1.00 0.00 C ATOM 1124 O TRP A 71 11.264 8.573 2.999 1.00 0.00 O ATOM 1125 CB TRP A 71 13.475 10.341 1.830 1.00 0.00 C ATOM 1126 CG TRP A 71 14.610 10.927 1.042 1.00 0.00 C ATOM 1127 CD1 TRP A 71 14.865 10.711 -0.266 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.649 11.855 1.495 1.00 0.00 C ATOM 1129 NE1 TRP A 71 15.989 11.414 -0.652 1.00 0.00 N ATOM 1130 CE2 TRP A 71 16.517 12.138 0.395 1.00 0.00 C ATOM 1131 CE3 TRP A 71 15.949 12.492 2.722 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 17.634 12.979 0.511 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.069 13.338 2.851 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.915 13.573 1.752 1.00 0.00 C ATOM 0 H TRP A 71 12.544 8.820 0.110 1.00 0.00 H new ATOM 0 HA TRP A 71 14.432 8.423 2.222 1.00 0.00 H new ATOM 0 HB2 TRP A 71 12.543 10.650 1.357 1.00 0.00 H new ATOM 0 HB3 TRP A 71 13.491 10.787 2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.276 10.081 -0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 71 16.380 11.399 -1.594 1.00 0.00 H new ATOM 0 HE3 TRP A 71 15.308 12.327 3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 18.269 13.167 -0.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 17.279 13.809 3.800 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.780 14.210 1.863 1.00 0.00 H new ATOM 1145 N PRO A 72 13.007 8.168 4.375 1.00 0.00 N ATOM 1146 CA PRO A 72 12.197 8.067 5.588 1.00 0.00 C ATOM 1147 C PRO A 72 11.950 9.454 6.222 1.00 0.00 C ATOM 1148 O PRO A 72 10.976 9.620 6.956 1.00 0.00 O ATOM 1149 CB PRO A 72 13.016 7.167 6.519 1.00 0.00 C ATOM 1150 CG PRO A 72 14.462 7.497 6.151 1.00 0.00 C ATOM 1151 CD PRO A 72 14.392 7.796 4.654 1.00 0.00 C ATOM 0 HA PRO A 72 11.205 7.662 5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.810 7.381 7.568 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.791 6.113 6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.834 8.353 6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.130 6.662 6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.073 8.604 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.686 6.924 4.069 1.00 0.00 H new ATOM 1159 N THR A 73 12.826 10.437 5.947 1.00 0.00 N ATOM 1160 CA THR A 73 12.878 11.748 6.613 1.00 0.00 C ATOM 1161 C THR A 73 12.131 12.831 5.833 1.00 0.00 C ATOM 1162 O THR A 73 12.373 13.039 4.642 1.00 0.00 O ATOM 1163 CB THR A 73 14.343 12.172 6.806 1.00 0.00 C ATOM 1164 OG1 THR A 73 15.045 11.152 7.480 1.00 0.00 O ATOM 1165 CG2 THR A 73 14.472 13.459 7.619 1.00 0.00 C ATOM 0 H THR A 73 13.543 10.335 5.228 1.00 0.00 H new ATOM 0 HA THR A 73 12.383 11.641 7.578 1.00 0.00 H new ATOM 0 HB THR A 73 14.759 12.348 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.979 11.423 7.601 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.526 13.717 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.952 14.268 7.105 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.031 13.312 8.605 1.00 0.00 H new ATOM 1173 N PHE A 74 11.283 13.565 6.557 1.00 0.00 N ATOM 1174 CA PHE A 74 10.561 14.765 6.118 1.00 0.00 C ATOM 1175 C PHE A 74 10.566 15.825 7.250 1.00 0.00 C ATOM 1176 O PHE A 74 10.627 15.440 8.424 1.00 0.00 O ATOM 1177 CB PHE A 74 9.133 14.363 5.699 1.00 0.00 C ATOM 1178 CG PHE A 74 9.085 13.667 4.349 1.00 0.00 C ATOM 1179 CD1 PHE A 74 9.327 12.284 4.247 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.864 14.424 3.182 1.00 0.00 C ATOM 1181 CE1 PHE A 74 9.416 11.673 2.983 1.00 0.00 C ATOM 1182 CE2 PHE A 74 8.935 13.809 1.920 1.00 0.00 C ATOM 1183 CZ PHE A 74 9.233 12.438 1.820 1.00 0.00 C ATOM 0 H PHE A 74 11.068 13.324 7.525 1.00 0.00 H new ATOM 0 HA PHE A 74 11.052 15.215 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.710 13.704 6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.506 15.254 5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.445 11.690 5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.640 15.478 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.625 10.616 2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.761 14.390 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.321 11.974 0.849 1.00 0.00 H new ATOM 1193 N PRO A 75 10.500 17.140 6.947 1.00 0.00 N ATOM 1194 CA PRO A 75 10.311 17.752 5.627 1.00 0.00 C ATOM 1195 C PRO A 75 11.564 17.684 4.740 1.00 0.00 C ATOM 1196 O PRO A 75 12.657 17.385 5.222 1.00 0.00 O ATOM 1197 CB PRO A 75 9.938 19.207 5.936 1.00 0.00 C ATOM 1198 CG PRO A 75 10.710 19.506 7.215 1.00 0.00 C ATOM 1199 CD PRO A 75 10.578 18.185 7.966 1.00 0.00 C ATOM 0 HA PRO A 75 9.548 17.222 5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.228 19.877 5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.864 19.325 6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.751 19.762 7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.277 20.338 7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.433 18.024 8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.688 18.182 8.595 1.00 0.00 H new ATOM 1207 N GLN A 76 11.406 17.985 3.444 1.00 0.00 N ATOM 1208 CA GLN A 76 12.504 18.016 2.469 1.00 0.00 C ATOM 1209 C GLN A 76 12.167 18.824 1.202 1.00 0.00 C ATOM 1210 O GLN A 76 11.002 19.063 0.878 1.00 0.00 O ATOM 1211 CB GLN A 76 12.975 16.587 2.110 1.00 0.00 C ATOM 1212 CG GLN A 76 11.904 15.738 1.413 1.00 0.00 C ATOM 1213 CD GLN A 76 12.491 14.415 0.919 1.00 0.00 C ATOM 1214 OE1 GLN A 76 12.869 14.264 -0.236 1.00 0.00 O ATOM 1215 NE2 GLN A 76 12.624 13.417 1.761 1.00 0.00 N ATOM 0 H GLN A 76 10.499 18.217 3.038 1.00 0.00 H new ATOM 0 HA GLN A 76 13.328 18.539 2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.849 16.655 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.291 16.079 3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.084 15.541 2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.486 16.291 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.316 13.521 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.035 12.538 1.449 1.00 0.00 H new ATOM 1224 N LEU A 77 13.219 19.216 0.481 1.00 0.00 N ATOM 1225 CA LEU A 77 13.202 19.964 -0.777 1.00 0.00 C ATOM 1226 C LEU A 77 13.349 18.990 -1.967 1.00 0.00 C ATOM 1227 O LEU A 77 14.117 18.026 -1.910 1.00 0.00 O ATOM 1228 CB LEU A 77 14.367 20.980 -0.682 1.00 0.00 C ATOM 1229 CG LEU A 77 14.279 22.286 -1.501 1.00 0.00 C ATOM 1230 CD1 LEU A 77 15.610 23.031 -1.345 1.00 0.00 C ATOM 1231 CD2 LEU A 77 13.987 22.119 -2.993 1.00 0.00 C ATOM 0 H LEU A 77 14.171 19.005 0.781 1.00 0.00 H new ATOM 0 HA LEU A 77 12.264 20.494 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.482 21.254 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.280 20.465 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 77 13.424 22.832 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.576 23.960 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.779 23.257 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.422 22.407 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.947 23.099 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.776 21.524 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.029 21.614 -3.122 1.00 0.00 H new ATOM 1243 N TYR A 78 12.631 19.258 -3.059 1.00 0.00 N ATOM 1244 CA TYR A 78 12.529 18.435 -4.270 1.00 0.00 C ATOM 1245 C TYR A 78 12.491 19.330 -5.525 1.00 0.00 C ATOM 1246 O TYR A 78 11.748 20.315 -5.555 1.00 0.00 O ATOM 1247 CB TYR A 78 11.244 17.605 -4.108 1.00 0.00 C ATOM 1248 CG TYR A 78 10.854 16.683 -5.249 1.00 0.00 C ATOM 1249 CD1 TYR A 78 11.803 15.824 -5.826 1.00 0.00 C ATOM 1250 CD2 TYR A 78 9.505 16.583 -5.642 1.00 0.00 C ATOM 1251 CE1 TYR A 78 11.425 14.870 -6.784 1.00 0.00 C ATOM 1252 CE2 TYR A 78 9.110 15.610 -6.577 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.072 14.758 -7.165 1.00 0.00 C ATOM 1254 OH TYR A 78 9.693 13.821 -8.074 1.00 0.00 O ATOM 0 H TYR A 78 12.070 20.107 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 78 13.390 17.779 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 78 11.346 17.000 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.418 18.295 -3.936 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.839 15.898 -5.529 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.771 17.256 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.168 14.224 -7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.069 15.513 -6.847 1.00 0.00 H new ATOM 0 HH TYR A 78 9.112 13.162 -7.641 1.00 0.00 H new ATOM 1264 N ILE A 79 13.291 19.041 -6.559 1.00 0.00 N ATOM 1265 CA ILE A 79 13.398 19.901 -7.756 1.00 0.00 C ATOM 1266 C ILE A 79 13.452 19.068 -9.043 1.00 0.00 C ATOM 1267 O ILE A 79 14.381 18.291 -9.236 1.00 0.00 O ATOM 1268 CB ILE A 79 14.624 20.858 -7.697 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.822 21.525 -6.318 1.00 0.00 C ATOM 1270 CG2 ILE A 79 14.442 21.921 -8.801 1.00 0.00 C ATOM 1271 CD1 ILE A 79 16.036 22.460 -6.230 1.00 0.00 C ATOM 0 H ILE A 79 13.882 18.210 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 79 12.497 20.514 -7.767 1.00 0.00 H new ATOM 0 HB ILE A 79 15.528 20.270 -7.859 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.924 22.092 -6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.925 20.745 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.287 22.609 -8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.390 21.431 -9.773 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.520 22.475 -8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.097 22.883 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.945 21.897 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.929 23.264 -6.958 1.00 0.00 H new ATOM 1283 N ASP A 80 12.473 19.252 -9.936 1.00 0.00 N ATOM 1284 CA ASP A 80 12.460 18.715 -11.313 1.00 0.00 C ATOM 1285 C ASP A 80 12.707 17.186 -11.403 1.00 0.00 C ATOM 1286 O ASP A 80 13.314 16.688 -12.353 1.00 0.00 O ATOM 1287 CB ASP A 80 13.408 19.553 -12.194 1.00 0.00 C ATOM 1288 CG ASP A 80 13.239 19.288 -13.703 1.00 0.00 C ATOM 1289 OD1 ASP A 80 12.080 19.252 -14.181 1.00 0.00 O ATOM 1290 OD2 ASP A 80 14.267 19.181 -14.413 1.00 0.00 O ATOM 0 H ASP A 80 11.638 19.796 -9.719 1.00 0.00 H new ATOM 0 HA ASP A 80 11.448 18.817 -11.704 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.234 20.611 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.439 19.341 -11.909 1.00 0.00 H new ATOM 1295 N GLY A 81 12.257 16.434 -10.385 1.00 0.00 N ATOM 1296 CA GLY A 81 12.442 14.980 -10.276 1.00 0.00 C ATOM 1297 C GLY A 81 13.644 14.540 -9.428 1.00 0.00 C ATOM 1298 O GLY A 81 13.796 13.340 -9.195 1.00 0.00 O ATOM 0 H GLY A 81 11.743 16.830 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.538 14.545 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.553 14.567 -11.279 1.00 0.00 H new ATOM 1302 N GLU A 82 14.469 15.475 -8.944 1.00 0.00 N ATOM 1303 CA GLU A 82 15.614 15.213 -8.065 1.00 0.00 C ATOM 1304 C GLU A 82 15.290 15.591 -6.609 1.00 0.00 C ATOM 1305 O GLU A 82 14.987 16.747 -6.301 1.00 0.00 O ATOM 1306 CB GLU A 82 16.858 15.992 -8.535 1.00 0.00 C ATOM 1307 CG GLU A 82 17.321 15.642 -9.959 1.00 0.00 C ATOM 1308 CD GLU A 82 17.684 14.158 -10.123 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.553 13.652 -9.372 1.00 0.00 O ATOM 1310 OE2 GLU A 82 17.123 13.490 -11.025 1.00 0.00 O ATOM 0 H GLU A 82 14.355 16.465 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 82 15.825 14.145 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.644 17.060 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.677 15.800 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.531 15.898 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.187 16.253 -10.214 1.00 0.00 H new ATOM 1317 N PHE A 83 15.375 14.614 -5.699 1.00 0.00 N ATOM 1318 CA PHE A 83 15.181 14.810 -4.261 1.00 0.00 C ATOM 1319 C PHE A 83 16.434 15.455 -3.654 1.00 0.00 C ATOM 1320 O PHE A 83 17.484 14.818 -3.537 1.00 0.00 O ATOM 1321 CB PHE A 83 14.798 13.475 -3.602 1.00 0.00 C ATOM 1322 CG PHE A 83 13.514 12.876 -4.155 1.00 0.00 C ATOM 1323 CD1 PHE A 83 12.265 13.325 -3.684 1.00 0.00 C ATOM 1324 CD2 PHE A 83 13.560 11.913 -5.183 1.00 0.00 C ATOM 1325 CE1 PHE A 83 11.074 12.821 -4.238 1.00 0.00 C ATOM 1326 CE2 PHE A 83 12.370 11.411 -5.741 1.00 0.00 C ATOM 1327 CZ PHE A 83 11.127 11.869 -5.271 1.00 0.00 C ATOM 0 H PHE A 83 15.585 13.647 -5.948 1.00 0.00 H new ATOM 0 HA PHE A 83 14.355 15.497 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 83 15.612 12.763 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.687 13.627 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.221 14.060 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 83 14.514 11.558 -5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.119 13.166 -3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.412 10.674 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.213 11.490 -5.703 1.00 0.00 H new ATOM 1337 N PHE A 84 16.324 16.742 -3.312 1.00 0.00 N ATOM 1338 CA PHE A 84 17.445 17.596 -2.913 1.00 0.00 C ATOM 1339 C PHE A 84 17.806 17.416 -1.426 1.00 0.00 C ATOM 1340 O PHE A 84 18.980 17.506 -1.061 1.00 0.00 O ATOM 1341 CB PHE A 84 17.088 19.048 -3.268 1.00 0.00 C ATOM 1342 CG PHE A 84 18.297 19.946 -3.437 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.928 20.517 -2.315 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.819 20.183 -4.725 1.00 0.00 C ATOM 1345 CE1 PHE A 84 20.087 21.295 -2.482 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.967 20.976 -4.890 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.607 21.527 -3.768 1.00 0.00 C ATOM 0 H PHE A 84 15.429 17.231 -3.305 1.00 0.00 H new ATOM 0 HA PHE A 84 18.344 17.307 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.508 19.056 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.448 19.458 -2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.522 20.357 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.334 19.753 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.580 21.717 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.357 21.162 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.496 22.127 -3.892 1.00 0.00 H new ATOM 1357 N GLY A 85 16.815 17.109 -0.576 1.00 0.00 N ATOM 1358 CA GLY A 85 17.009 16.700 0.822 1.00 0.00 C ATOM 1359 C GLY A 85 16.656 17.767 1.860 1.00 0.00 C ATOM 1360 O GLY A 85 15.798 18.620 1.629 1.00 0.00 O ATOM 0 H GLY A 85 15.833 17.139 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.404 15.814 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.051 16.411 0.959 1.00 0.00 H new ATOM 1364 N GLY A 86 17.271 17.660 3.044 1.00 0.00 N ATOM 1365 CA GLY A 86 16.926 18.444 4.239 1.00 0.00 C ATOM 1366 C GLY A 86 17.469 19.872 4.251 1.00 0.00 C ATOM 1367 O GLY A 86 18.191 20.305 3.349 1.00 0.00 O ATOM 0 H GLY A 86 18.041 17.010 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.840 18.483 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.300 17.921 5.119 1.00 0.00 H new ATOM 1371 N CYS A 87 17.118 20.617 5.299 1.00 0.00 N ATOM 1372 CA CYS A 87 17.460 22.033 5.454 1.00 0.00 C ATOM 1373 C CYS A 87 18.970 22.290 5.564 1.00 0.00 C ATOM 1374 O CYS A 87 19.490 23.153 4.862 1.00 0.00 O ATOM 1375 CB CYS A 87 16.666 22.600 6.645 1.00 0.00 C ATOM 1376 SG CYS A 87 16.971 21.636 8.163 1.00 0.00 S ATOM 0 H CYS A 87 16.577 20.247 6.080 1.00 0.00 H new ATOM 0 HA CYS A 87 17.172 22.562 4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 87 16.946 23.640 6.810 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.601 22.590 6.413 1.00 0.00 H new ATOM 0 HG CYS A 87 16.287 22.145 9.145 1.00 0.00 H new ATOM 1382 N ASP A 88 19.695 21.506 6.361 1.00 0.00 N ATOM 1383 CA ASP A 88 21.151 21.630 6.513 1.00 0.00 C ATOM 1384 C ASP A 88 21.876 21.403 5.175 1.00 0.00 C ATOM 1385 O ASP A 88 22.717 22.208 4.779 1.00 0.00 O ATOM 1386 CB ASP A 88 21.629 20.642 7.586 1.00 0.00 C ATOM 1387 CG ASP A 88 23.138 20.769 7.844 1.00 0.00 C ATOM 1388 OD1 ASP A 88 23.550 21.749 8.511 1.00 0.00 O ATOM 1389 OD2 ASP A 88 23.903 19.880 7.403 1.00 0.00 O ATOM 0 H ASP A 88 19.289 20.760 6.925 1.00 0.00 H new ATOM 0 HA ASP A 88 21.392 22.644 6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 88 21.085 20.821 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.398 19.624 7.272 1.00 0.00 H new ATOM 1394 N ILE A 89 21.462 20.369 4.429 1.00 0.00 N ATOM 1395 CA ILE A 89 21.969 20.085 3.073 1.00 0.00 C ATOM 1396 C ILE A 89 21.687 21.282 2.153 1.00 0.00 C ATOM 1397 O ILE A 89 22.594 21.746 1.463 1.00 0.00 O ATOM 1398 CB ILE A 89 21.362 18.765 2.518 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.748 17.562 3.419 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.823 18.523 1.066 1.00 0.00 C ATOM 1401 CD1 ILE A 89 21.107 16.229 3.011 1.00 0.00 C ATOM 0 H ILE A 89 20.761 19.700 4.749 1.00 0.00 H new ATOM 0 HA ILE A 89 23.048 19.940 3.116 1.00 0.00 H new ATOM 0 HB ILE A 89 20.276 18.862 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.832 17.448 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.463 17.788 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.388 17.595 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.497 19.352 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.910 18.451 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.432 15.445 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 89 20.022 16.320 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.412 15.974 1.996 1.00 0.00 H new ATOM 1413 N THR A 90 20.465 21.829 2.214 1.00 0.00 N ATOM 1414 CA THR A 90 20.029 22.987 1.416 1.00 0.00 C ATOM 1415 C THR A 90 20.851 24.230 1.744 1.00 0.00 C ATOM 1416 O THR A 90 21.325 24.893 0.831 1.00 0.00 O ATOM 1417 CB THR A 90 18.536 23.269 1.625 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.792 22.125 1.266 1.00 0.00 O ATOM 1419 CG2 THR A 90 18.059 24.433 0.751 1.00 0.00 C ATOM 0 H THR A 90 19.736 21.473 2.832 1.00 0.00 H new ATOM 0 HA THR A 90 20.192 22.738 0.367 1.00 0.00 H new ATOM 0 HB THR A 90 18.389 23.525 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.890 21.440 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.997 24.606 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.619 25.333 1.006 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.221 24.190 -0.299 1.00 0.00 H new ATOM 1427 N VAL A 91 21.040 24.537 3.026 1.00 0.00 N ATOM 1428 CA VAL A 91 21.793 25.714 3.488 1.00 0.00 C ATOM 1429 C VAL A 91 23.267 25.637 3.063 1.00 0.00 C ATOM 1430 O VAL A 91 23.808 26.632 2.585 1.00 0.00 O ATOM 1431 CB VAL A 91 21.639 25.899 5.016 1.00 0.00 C ATOM 1432 CG1 VAL A 91 22.627 26.916 5.611 1.00 0.00 C ATOM 1433 CG2 VAL A 91 20.213 26.382 5.352 1.00 0.00 C ATOM 0 H VAL A 91 20.671 23.970 3.789 1.00 0.00 H new ATOM 0 HA VAL A 91 21.372 26.597 3.008 1.00 0.00 H new ATOM 0 HB VAL A 91 21.847 24.923 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.463 26.996 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.648 26.584 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.471 27.890 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 91 20.116 26.509 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 91 20.025 27.335 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 91 19.488 25.645 5.007 1.00 0.00 H new ATOM 1443 N GLU A 92 23.912 24.473 3.181 1.00 0.00 N ATOM 1444 CA GLU A 92 25.303 24.303 2.743 1.00 0.00 C ATOM 1445 C GLU A 92 25.437 24.280 1.209 1.00 0.00 C ATOM 1446 O GLU A 92 26.401 24.828 0.666 1.00 0.00 O ATOM 1447 CB GLU A 92 25.908 23.042 3.377 1.00 0.00 C ATOM 1448 CG GLU A 92 26.034 23.111 4.908 1.00 0.00 C ATOM 1449 CD GLU A 92 26.925 24.267 5.389 1.00 0.00 C ATOM 1450 OE1 GLU A 92 28.145 24.250 5.103 1.00 0.00 O ATOM 1451 OE2 GLU A 92 26.416 25.188 6.071 1.00 0.00 O ATOM 0 H GLU A 92 23.493 23.632 3.577 1.00 0.00 H new ATOM 0 HA GLU A 92 25.865 25.171 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.292 22.183 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.896 22.870 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.041 23.220 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.441 22.169 5.276 1.00 0.00 H new ATOM 1458 N ALA A 93 24.461 23.721 0.488 1.00 0.00 N ATOM 1459 CA ALA A 93 24.399 23.769 -0.973 1.00 0.00 C ATOM 1460 C ALA A 93 24.194 25.198 -1.500 1.00 0.00 C ATOM 1461 O ALA A 93 24.784 25.568 -2.514 1.00 0.00 O ATOM 1462 CB ALA A 93 23.267 22.844 -1.425 1.00 0.00 C ATOM 0 H ALA A 93 23.682 23.216 0.910 1.00 0.00 H new ATOM 0 HA ALA A 93 25.351 23.434 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.197 22.859 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.472 21.827 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.325 23.185 -0.996 1.00 0.00 H new ATOM 1468 N TYR A 94 23.403 26.020 -0.811 1.00 0.00 N ATOM 1469 CA TYR A 94 23.184 27.435 -1.132 1.00 0.00 C ATOM 1470 C TYR A 94 24.447 28.283 -0.925 1.00 0.00 C ATOM 1471 O TYR A 94 24.784 29.094 -1.790 1.00 0.00 O ATOM 1472 CB TYR A 94 22.008 27.949 -0.287 1.00 0.00 C ATOM 1473 CG TYR A 94 21.645 29.405 -0.522 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.180 29.819 -1.787 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.756 30.340 0.524 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.820 31.163 -2.004 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.400 31.685 0.314 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.927 32.103 -0.951 1.00 0.00 C ATOM 1479 OH TYR A 94 20.566 33.402 -1.143 1.00 0.00 O ATOM 0 H TYR A 94 22.881 25.714 0.010 1.00 0.00 H new ATOM 0 HA TYR A 94 22.942 27.526 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.133 27.333 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.250 27.815 0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.100 29.103 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.116 30.024 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.462 31.477 -2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.488 32.399 1.120 1.00 0.00 H new ATOM 0 HH TYR A 94 20.704 33.906 -0.314 1.00 0.00 H new ATOM 1489 N LYS A 95 25.202 28.034 0.155 1.00 0.00 N ATOM 1490 CA LYS A 95 26.538 28.621 0.380 1.00 0.00 C ATOM 1491 C LYS A 95 27.556 28.162 -0.683 1.00 0.00 C ATOM 1492 O LYS A 95 28.380 28.952 -1.145 1.00 0.00 O ATOM 1493 CB LYS A 95 27.045 28.213 1.773 1.00 0.00 C ATOM 1494 CG LYS A 95 26.294 28.864 2.944 1.00 0.00 C ATOM 1495 CD LYS A 95 26.764 28.208 4.249 1.00 0.00 C ATOM 1496 CE LYS A 95 25.956 28.689 5.458 1.00 0.00 C ATOM 1497 NZ LYS A 95 26.350 27.938 6.682 1.00 0.00 N ATOM 0 H LYS A 95 24.902 27.413 0.907 1.00 0.00 H new ATOM 0 HA LYS A 95 26.442 29.704 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.971 27.130 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 95 28.102 28.469 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 95 26.487 29.936 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 95 25.218 28.736 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 95 26.676 27.125 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 95 27.819 28.431 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 95 26.119 29.756 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 95 24.891 28.554 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 25.597 28.016 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 26.498 26.937 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 27.231 28.336 7.065 1.00 0.00 H new ATOM 1511 N SER A 96 27.492 26.888 -1.086 1.00 0.00 N ATOM 1512 CA SER A 96 28.410 26.290 -2.071 1.00 0.00 C ATOM 1513 C SER A 96 28.085 26.683 -3.528 1.00 0.00 C ATOM 1514 O SER A 96 28.920 26.501 -4.416 1.00 0.00 O ATOM 1515 CB SER A 96 28.382 24.756 -1.934 1.00 0.00 C ATOM 1516 OG SER A 96 28.694 24.326 -0.615 1.00 0.00 O ATOM 0 H SER A 96 26.794 26.232 -0.735 1.00 0.00 H new ATOM 0 HA SER A 96 29.404 26.681 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.394 24.387 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.093 24.318 -2.634 1.00 0.00 H new ATOM 0 HG SER A 96 27.867 24.235 -0.097 1.00 0.00 H new ATOM 1522 N GLY A 97 26.874 27.203 -3.789 1.00 0.00 N ATOM 1523 CA GLY A 97 26.383 27.578 -5.128 1.00 0.00 C ATOM 1524 C GLY A 97 25.671 26.439 -5.868 1.00 0.00 C ATOM 1525 O GLY A 97 25.169 26.648 -6.970 1.00 0.00 O ATOM 0 H GLY A 97 26.189 27.380 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.697 28.420 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.224 27.920 -5.731 1.00 0.00 H new ATOM 1529 N GLU A 98 25.576 25.256 -5.258 1.00 0.00 N ATOM 1530 CA GLU A 98 24.981 24.051 -5.846 1.00 0.00 C ATOM 1531 C GLU A 98 23.461 24.211 -6.002 1.00 0.00 C ATOM 1532 O GLU A 98 22.926 23.988 -7.086 1.00 0.00 O ATOM 1533 CB GLU A 98 25.312 22.825 -4.977 1.00 0.00 C ATOM 1534 CG GLU A 98 26.812 22.538 -4.822 1.00 0.00 C ATOM 1535 CD GLU A 98 27.476 22.156 -6.156 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.274 21.012 -6.627 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.216 22.989 -6.729 1.00 0.00 O ATOM 0 H GLU A 98 25.922 25.104 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 98 25.405 23.903 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.879 22.970 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.831 21.948 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.307 23.418 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 98 26.952 21.730 -4.105 1.00 0.00 H new ATOM 1544 N LEU A 99 22.765 24.685 -4.955 1.00 0.00 N ATOM 1545 CA LEU A 99 21.330 24.994 -5.035 1.00 0.00 C ATOM 1546 C LEU A 99 21.076 26.104 -6.058 1.00 0.00 C ATOM 1547 O LEU A 99 20.154 25.998 -6.862 1.00 0.00 O ATOM 1548 CB LEU A 99 20.817 25.395 -3.634 1.00 0.00 C ATOM 1549 CG LEU A 99 19.295 25.655 -3.566 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.484 24.356 -3.680 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.961 26.365 -2.251 1.00 0.00 C ATOM 0 H LEU A 99 23.177 24.863 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 99 20.785 24.111 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.071 24.605 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.342 26.294 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 99 19.022 26.285 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.420 24.586 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.704 23.872 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.752 23.687 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.888 26.550 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.262 25.737 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.495 27.314 -2.204 1.00 0.00 H new ATOM 1563 N GLN A 100 21.916 27.145 -6.052 1.00 0.00 N ATOM 1564 CA GLN A 100 21.796 28.291 -6.960 1.00 0.00 C ATOM 1565 C GLN A 100 21.882 27.831 -8.422 1.00 0.00 C ATOM 1566 O GLN A 100 21.017 28.187 -9.226 1.00 0.00 O ATOM 1567 CB GLN A 100 22.859 29.361 -6.636 1.00 0.00 C ATOM 1568 CG GLN A 100 22.789 29.887 -5.187 1.00 0.00 C ATOM 1569 CD GLN A 100 23.704 31.097 -4.947 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.744 32.048 -5.719 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.477 31.122 -3.878 1.00 0.00 N ATOM 0 H GLN A 100 22.706 27.216 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 100 20.818 28.749 -6.814 1.00 0.00 H new ATOM 0 HB2 GLN A 100 23.849 28.942 -6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 100 22.740 30.199 -7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 100 21.760 30.164 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.066 29.086 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 100 24.462 30.343 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.089 31.920 -3.710 1.00 0.00 H new ATOM 1580 N GLU A 101 22.859 26.975 -8.750 1.00 0.00 N ATOM 1581 CA GLU A 101 22.979 26.368 -10.074 1.00 0.00 C ATOM 1582 C GLU A 101 21.783 25.460 -10.390 1.00 0.00 C ATOM 1583 O GLU A 101 21.191 25.601 -11.457 1.00 0.00 O ATOM 1584 CB GLU A 101 24.306 25.593 -10.188 1.00 0.00 C ATOM 1585 CG GLU A 101 24.577 25.168 -11.641 1.00 0.00 C ATOM 1586 CD GLU A 101 25.846 24.311 -11.776 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.963 24.832 -11.542 1.00 0.00 O ATOM 1588 OE2 GLU A 101 25.730 23.120 -12.154 1.00 0.00 O ATOM 0 H GLU A 101 23.589 26.686 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 101 22.979 27.170 -10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.126 26.215 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.272 24.711 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.722 24.607 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.675 26.057 -12.264 1.00 0.00 H new ATOM 1595 N GLN A 102 21.396 24.545 -9.493 1.00 0.00 N ATOM 1596 CA GLN A 102 20.340 23.570 -9.783 1.00 0.00 C ATOM 1597 C GLN A 102 18.950 24.213 -9.904 1.00 0.00 C ATOM 1598 O GLN A 102 18.183 23.809 -10.775 1.00 0.00 O ATOM 1599 CB GLN A 102 20.326 22.451 -8.727 1.00 0.00 C ATOM 1600 CG GLN A 102 21.548 21.513 -8.808 1.00 0.00 C ATOM 1601 CD GLN A 102 21.546 20.639 -10.061 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.203 20.926 -11.053 1.00 0.00 O ATOM 1603 NE2 GLN A 102 20.796 19.557 -10.089 1.00 0.00 N ATOM 0 H GLN A 102 21.799 24.460 -8.560 1.00 0.00 H new ATOM 0 HA GLN A 102 20.574 23.139 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.287 22.900 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.417 21.861 -8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.460 22.110 -8.789 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.568 20.874 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.241 19.300 -9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.770 18.976 -10.927 1.00 0.00 H new ATOM 1612 N VAL A 103 18.627 25.228 -9.093 1.00 0.00 N ATOM 1613 CA VAL A 103 17.361 25.976 -9.205 1.00 0.00 C ATOM 1614 C VAL A 103 17.293 26.719 -10.545 1.00 0.00 C ATOM 1615 O VAL A 103 16.265 26.649 -11.219 1.00 0.00 O ATOM 1616 CB VAL A 103 17.175 26.956 -8.023 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.010 27.943 -8.228 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.909 26.188 -6.717 1.00 0.00 C ATOM 0 H VAL A 103 19.232 25.556 -8.341 1.00 0.00 H new ATOM 0 HA VAL A 103 16.543 25.256 -9.166 1.00 0.00 H new ATOM 0 HB VAL A 103 18.105 27.522 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.935 28.602 -7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.191 28.539 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.079 27.388 -8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.781 26.896 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.004 25.590 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.753 25.533 -6.502 1.00 0.00 H new ATOM 1628 N GLU A 104 18.372 27.396 -10.963 1.00 0.00 N ATOM 1629 CA GLU A 104 18.426 28.067 -12.264 1.00 0.00 C ATOM 1630 C GLU A 104 18.319 27.052 -13.415 1.00 0.00 C ATOM 1631 O GLU A 104 17.511 27.226 -14.327 1.00 0.00 O ATOM 1632 CB GLU A 104 19.717 28.897 -12.357 1.00 0.00 C ATOM 1633 CG GLU A 104 19.775 29.733 -13.643 1.00 0.00 C ATOM 1634 CD GLU A 104 21.007 30.649 -13.648 1.00 0.00 C ATOM 1635 OE1 GLU A 104 22.083 30.223 -14.132 1.00 0.00 O ATOM 1636 OE2 GLU A 104 20.908 31.810 -13.180 1.00 0.00 O ATOM 0 H GLU A 104 19.225 27.492 -10.411 1.00 0.00 H new ATOM 0 HA GLU A 104 17.573 28.739 -12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.786 29.557 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.579 28.231 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.805 29.072 -14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.870 30.334 -13.732 1.00 0.00 H new ATOM 1643 N LYS A 105 19.071 25.952 -13.348 1.00 0.00 N ATOM 1644 CA LYS A 105 19.077 24.881 -14.349 1.00 0.00 C ATOM 1645 C LYS A 105 17.695 24.221 -14.498 1.00 0.00 C ATOM 1646 O LYS A 105 17.261 23.976 -15.622 1.00 0.00 O ATOM 1647 CB LYS A 105 20.170 23.882 -13.936 1.00 0.00 C ATOM 1648 CG LYS A 105 20.489 22.803 -14.984 1.00 0.00 C ATOM 1649 CD LYS A 105 21.519 21.789 -14.459 1.00 0.00 C ATOM 1650 CE LYS A 105 22.862 22.443 -14.087 1.00 0.00 C ATOM 1651 NZ LYS A 105 23.762 21.498 -13.374 1.00 0.00 N ATOM 0 H LYS A 105 19.711 25.776 -12.574 1.00 0.00 H new ATOM 0 HA LYS A 105 19.298 25.284 -15.337 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.083 24.435 -13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.863 23.391 -13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.573 22.281 -15.260 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.872 23.276 -15.889 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.111 21.284 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.690 21.025 -15.218 1.00 0.00 H new ATOM 0 HE2 LYS A 105 23.354 22.800 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 105 22.679 23.314 -13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.620 22.000 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.271 21.111 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.026 20.721 -14.013 1.00 0.00 H new ATOM 1665 N ALA A 106 16.970 23.996 -13.394 1.00 0.00 N ATOM 1666 CA ALA A 106 15.590 23.505 -13.411 1.00 0.00 C ATOM 1667 C ALA A 106 14.629 24.501 -14.086 1.00 0.00 C ATOM 1668 O ALA A 106 13.840 24.100 -14.941 1.00 0.00 O ATOM 1669 CB ALA A 106 15.174 23.204 -11.967 1.00 0.00 C ATOM 0 H ALA A 106 17.332 24.153 -12.453 1.00 0.00 H new ATOM 0 HA ALA A 106 15.536 22.595 -14.008 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.148 22.836 -11.953 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.837 22.447 -11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.241 24.115 -11.372 1.00 0.00 H new ATOM 1675 N MET A 107 14.721 25.796 -13.758 1.00 0.00 N ATOM 1676 CA MET A 107 13.875 26.843 -14.355 1.00 0.00 C ATOM 1677 C MET A 107 14.163 27.056 -15.852 1.00 0.00 C ATOM 1678 O MET A 107 13.236 27.330 -16.617 1.00 0.00 O ATOM 1679 CB MET A 107 14.026 28.156 -13.566 1.00 0.00 C ATOM 1680 CG MET A 107 13.433 28.050 -12.154 1.00 0.00 C ATOM 1681 SD MET A 107 11.636 27.828 -12.090 1.00 0.00 S ATOM 1682 CE MET A 107 11.503 27.300 -10.367 1.00 0.00 C ATOM 0 H MET A 107 15.385 26.150 -13.070 1.00 0.00 H new ATOM 0 HA MET A 107 12.841 26.506 -14.289 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.082 28.418 -13.497 1.00 0.00 H new ATOM 0 HB3 MET A 107 13.532 28.963 -14.107 1.00 0.00 H new ATOM 0 HG2 MET A 107 13.905 27.213 -11.640 1.00 0.00 H new ATOM 0 HG3 MET A 107 13.692 28.952 -11.599 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.452 27.247 -10.083 1.00 0.00 H new ATOM 0 HE2 MET A 107 11.960 26.317 -10.251 1.00 0.00 H new ATOM 0 HE3 MET A 107 12.016 28.017 -9.726 1.00 0.00 H new ATOM 1692 N CYS A 108 15.418 26.884 -16.288 1.00 0.00 N ATOM 1693 CA CYS A 108 15.795 26.890 -17.707 1.00 0.00 C ATOM 1694 C CYS A 108 15.314 25.623 -18.450 1.00 0.00 C ATOM 1695 O CYS A 108 14.820 25.731 -19.578 1.00 0.00 O ATOM 1696 CB CYS A 108 17.319 27.051 -17.826 1.00 0.00 C ATOM 1697 SG CYS A 108 17.854 28.638 -17.118 1.00 0.00 S ATOM 0 H CYS A 108 16.207 26.735 -15.659 1.00 0.00 H new ATOM 0 HA CYS A 108 15.298 27.734 -18.186 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.818 26.230 -17.310 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.615 26.996 -18.874 1.00 0.00 H new ATOM 0 HG CYS A 108 17.874 28.550 -15.821 1.00 0.00 H new ATOM 1703 N SER A 109 15.468 24.445 -17.823 1.00 0.00 N ATOM 1704 CA SER A 109 15.205 23.094 -18.368 1.00 0.00 C ATOM 1705 C SER A 109 15.909 22.853 -19.720 1.00 0.00 C ATOM 1706 O SER A 109 15.239 22.652 -20.761 1.00 0.00 O ATOM 1707 CB SER A 109 13.699 22.813 -18.432 1.00 0.00 C ATOM 1708 OG SER A 109 13.208 22.605 -17.121 1.00 0.00 O ATOM 1709 OXT SER A 109 17.163 22.836 -19.733 1.00 0.00 O ATOM 0 H SER A 109 15.801 24.403 -16.860 1.00 0.00 H new ATOM 0 HA SER A 109 15.643 22.374 -17.677 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.180 23.650 -18.899 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.507 21.935 -19.049 1.00 0.00 H new ATOM 0 HG SER A 109 13.589 23.278 -16.518 1.00 0.00 H new