USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 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 Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00483) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-2) USER MOD Single : A 23 SER OG : rot -139:sc= -2.52 USER MOD Single : A 24 MET CE :methyl 146:sc= -0.943 (180deg=-2.97!) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.802 F(o=-1.3!,f=-0.8) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.947 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 173:sc= -2.32! USER MOD Single : A 42 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-4.2) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.173 F(o=-0.78,f=-0.17) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 0.37 (180deg=0.00682) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -169:sc= 0.00724 USER MOD Single : A 66 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 SER OG : rot 130:sc= 0.253 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -150:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -11.900 12.646 -5.301 1.00 0.00 N ATOM 2 CA ALA A 8 -11.067 12.691 -4.105 1.00 0.00 C ATOM 3 C ALA A 8 -10.377 11.353 -3.868 1.00 0.00 C ATOM 4 O ALA A 8 -10.938 10.294 -4.152 1.00 0.00 O ATOM 5 CB ALA A 8 -11.902 13.079 -2.894 1.00 0.00 C ATOM 0 HA ALA A 8 -10.296 13.446 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.267 13.109 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.344 14.062 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.694 12.345 -2.748 1.00 0.00 H new ATOM 11 N ASP A 9 -9.156 11.407 -3.346 1.00 0.00 N ATOM 12 CA ASP A 9 -8.387 10.198 -3.071 1.00 0.00 C ATOM 13 C ASP A 9 -8.210 9.995 -1.570 1.00 0.00 C ATOM 14 O ASP A 9 -7.653 10.848 -0.879 1.00 0.00 O ATOM 15 CB ASP A 9 -7.019 10.274 -3.751 1.00 0.00 C ATOM 16 CG ASP A 9 -7.128 10.353 -5.261 1.00 0.00 C ATOM 17 OD1 ASP A 9 -7.536 9.349 -5.880 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.807 11.421 -5.824 1.00 0.00 O ATOM 0 H ASP A 9 -8.678 12.275 -3.105 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.939 9.348 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.481 11.147 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.431 9.398 -3.477 1.00 0.00 H new ATOM 23 N ARG A 10 -8.688 8.860 -1.070 1.00 0.00 N ATOM 24 CA ARG A 10 -8.581 8.543 0.349 1.00 0.00 C ATOM 25 C ARG A 10 -8.328 7.054 0.555 1.00 0.00 C ATOM 26 O ARG A 10 -8.683 6.231 -0.288 1.00 0.00 O ATOM 27 CB ARG A 10 -9.855 8.964 1.084 1.00 0.00 C ATOM 28 CG ARG A 10 -11.134 8.575 0.361 1.00 0.00 C ATOM 29 CD ARG A 10 -11.628 9.695 -0.540 1.00 0.00 C ATOM 30 NE ARG A 10 -13.080 9.848 -0.477 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.938 9.033 -1.085 1.00 0.00 C ATOM 32 NH1 ARG A 10 -13.496 8.008 -1.803 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.243 9.244 -0.976 1.00 0.00 N ATOM 0 H ARG A 10 -9.154 8.144 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.735 9.096 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.857 8.513 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.842 10.045 1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.958 7.679 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.905 8.327 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.152 10.631 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.329 9.492 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.458 10.625 0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.494 7.842 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.159 7.387 -2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.588 10.031 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.901 8.620 -1.442 1.00 0.00 H new ATOM 47 N LYS A 11 -7.708 6.714 1.681 1.00 0.00 N ATOM 48 CA LYS A 11 -7.404 5.322 1.993 1.00 0.00 C ATOM 49 C LYS A 11 -7.590 5.043 3.480 1.00 0.00 C ATOM 50 O LYS A 11 -7.438 5.936 4.311 1.00 0.00 O ATOM 51 CB LYS A 11 -5.971 4.986 1.576 1.00 0.00 C ATOM 52 CG LYS A 11 -4.926 5.881 2.222 1.00 0.00 C ATOM 53 CD LYS A 11 -4.354 5.251 3.482 1.00 0.00 C ATOM 54 CE LYS A 11 -3.485 6.232 4.251 1.00 0.00 C ATOM 55 NZ LYS A 11 -2.054 6.139 3.850 1.00 0.00 N ATOM 0 H LYS A 11 -7.407 7.382 2.391 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.096 4.692 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.759 3.949 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.888 5.067 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.121 6.073 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.372 6.845 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.168 4.907 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.765 4.373 3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.845 7.247 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.576 6.037 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.500 6.847 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.694 5.188 4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.967 6.317 2.829 1.00 0.00 H new ATOM 69 N LEU A 12 -7.933 3.802 3.808 1.00 0.00 N ATOM 70 CA LEU A 12 -8.157 3.416 5.188 1.00 0.00 C ATOM 71 C LEU A 12 -6.893 2.965 5.870 1.00 0.00 C ATOM 72 O LEU A 12 -6.091 2.204 5.329 1.00 0.00 O ATOM 73 CB LEU A 12 -9.204 2.321 5.254 1.00 0.00 C ATOM 74 CG LEU A 12 -10.573 2.835 4.883 1.00 0.00 C ATOM 75 CD1 LEU A 12 -11.068 2.192 3.595 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.566 2.625 6.017 1.00 0.00 C ATOM 0 H LEU A 12 -8.061 3.048 3.133 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.512 4.299 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.925 1.510 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.232 1.905 6.261 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.489 3.908 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.057 2.580 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.377 2.423 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.125 1.111 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.543 3.005 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.643 1.561 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.224 3.158 6.904 1.00 0.00 H new ATOM 88 N CYS A 13 -6.742 3.467 7.076 1.00 0.00 N ATOM 89 CA CYS A 13 -5.584 3.162 7.904 1.00 0.00 C ATOM 90 C CYS A 13 -5.947 2.180 9.013 1.00 0.00 C ATOM 91 O CYS A 13 -7.102 2.092 9.426 1.00 0.00 O ATOM 92 CB CYS A 13 -5.017 4.445 8.511 1.00 0.00 C ATOM 93 SG CYS A 13 -3.220 4.399 8.806 1.00 0.00 S ATOM 0 H CYS A 13 -7.414 4.097 7.514 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.828 2.700 7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.244 5.279 7.847 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.524 4.642 9.455 1.00 0.00 H new ATOM 98 N ALA A 14 -4.948 1.450 9.492 1.00 0.00 N ATOM 99 CA ALA A 14 -5.149 0.475 10.557 1.00 0.00 C ATOM 100 C ALA A 14 -5.025 1.128 11.931 1.00 0.00 C ATOM 101 O ALA A 14 -4.401 0.574 12.836 1.00 0.00 O ATOM 102 CB ALA A 14 -4.153 -0.667 10.419 1.00 0.00 C ATOM 0 H ALA A 14 -3.986 1.515 9.158 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.159 0.075 10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.313 -1.388 11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.293 -1.157 9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.138 -0.274 10.482 1.00 0.00 H new ATOM 108 N ASP A 15 -5.624 2.309 12.077 1.00 0.00 N ATOM 109 CA ASP A 15 -5.589 3.053 13.336 1.00 0.00 C ATOM 110 C ASP A 15 -6.027 4.497 13.114 1.00 0.00 C ATOM 111 O ASP A 15 -6.336 4.894 11.991 1.00 0.00 O ATOM 112 CB ASP A 15 -4.184 3.028 13.951 1.00 0.00 C ATOM 113 CG ASP A 15 -4.137 2.259 15.256 1.00 0.00 C ATOM 114 OD1 ASP A 15 -4.538 2.827 16.294 1.00 0.00 O ATOM 115 OD2 ASP A 15 -3.700 1.090 15.241 1.00 0.00 O ATOM 0 H ASP A 15 -6.143 2.774 11.333 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.280 2.571 14.028 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.488 2.578 13.242 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.848 4.050 14.123 1.00 0.00 H new ATOM 120 N GLN A 16 -6.047 5.279 14.188 1.00 0.00 N ATOM 121 CA GLN A 16 -6.441 6.679 14.102 1.00 0.00 C ATOM 122 C GLN A 16 -5.278 7.539 13.616 1.00 0.00 C ATOM 123 O GLN A 16 -5.393 8.247 12.615 1.00 0.00 O ATOM 124 CB GLN A 16 -6.931 7.180 15.463 1.00 0.00 C ATOM 125 CG GLN A 16 -8.119 8.123 15.369 1.00 0.00 C ATOM 126 CD GLN A 16 -8.490 8.729 16.710 1.00 0.00 C ATOM 127 OE1 GLN A 16 -8.836 8.016 17.652 1.00 0.00 O ATOM 128 NE2 GLN A 16 -8.420 10.052 16.800 1.00 0.00 N ATOM 0 H GLN A 16 -5.795 4.967 15.126 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.256 6.759 13.382 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.205 6.324 16.080 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.112 7.690 15.970 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.889 8.922 14.664 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.977 7.582 14.969 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.128 10.603 15.993 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.658 10.517 17.676 1.00 0.00 H new ATOM 137 N GLU A 17 -4.160 7.471 14.330 1.00 0.00 N ATOM 138 CA GLU A 17 -2.977 8.239 13.975 1.00 0.00 C ATOM 139 C GLU A 17 -2.043 7.438 13.069 1.00 0.00 C ATOM 140 O GLU A 17 -0.891 7.819 12.864 1.00 0.00 O ATOM 141 CB GLU A 17 -2.231 8.676 15.237 1.00 0.00 C ATOM 142 CG GLU A 17 -1.687 7.517 16.055 1.00 0.00 C ATOM 143 CD GLU A 17 -1.101 7.962 17.380 1.00 0.00 C ATOM 144 OE1 GLU A 17 -1.775 8.728 18.100 1.00 0.00 O ATOM 145 OE2 GLU A 17 0.032 7.545 17.698 1.00 0.00 O ATOM 0 H GLU A 17 -4.050 6.889 15.161 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.306 9.122 13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.405 9.328 14.953 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.903 9.266 15.860 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.487 6.800 16.239 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.920 6.999 15.479 1.00 0.00 H new ATOM 152 N CYS A 18 -2.543 6.328 12.529 1.00 0.00 N ATOM 153 CA CYS A 18 -1.744 5.482 11.647 1.00 0.00 C ATOM 154 C CYS A 18 -0.473 5.008 12.346 1.00 0.00 C ATOM 155 O CYS A 18 0.602 5.576 12.152 1.00 0.00 O ATOM 156 CB CYS A 18 -1.383 6.240 10.369 1.00 0.00 C ATOM 157 SG CYS A 18 -2.737 6.340 9.155 1.00 0.00 S ATOM 0 H CYS A 18 -3.494 5.995 12.686 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.341 4.607 11.388 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.072 7.250 10.634 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.526 5.755 9.902 1.00 0.00 H new ATOM 162 N SER A 19 -0.603 3.965 13.161 1.00 0.00 N ATOM 163 CA SER A 19 0.537 3.419 13.889 1.00 0.00 C ATOM 164 C SER A 19 0.423 1.904 14.024 1.00 0.00 C ATOM 165 O SER A 19 0.761 1.336 15.062 1.00 0.00 O ATOM 166 CB SER A 19 0.639 4.061 15.274 1.00 0.00 C ATOM 167 OG SER A 19 1.980 4.404 15.580 1.00 0.00 O ATOM 0 H SER A 19 -1.485 3.482 13.333 1.00 0.00 H new ATOM 0 HA SER A 19 1.440 3.647 13.323 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.014 4.954 15.311 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.256 3.372 16.027 1.00 0.00 H new ATOM 0 HG SER A 19 2.018 4.814 16.469 1.00 0.00 H new ATOM 173 N HIS A 20 -0.053 1.253 12.967 1.00 0.00 N ATOM 174 CA HIS A 20 -0.208 -0.197 12.971 1.00 0.00 C ATOM 175 C HIS A 20 -0.482 -0.721 11.563 1.00 0.00 C ATOM 176 O HIS A 20 -1.163 -0.069 10.770 1.00 0.00 O ATOM 177 CB HIS A 20 -1.345 -0.606 13.912 1.00 0.00 C ATOM 178 CG HIS A 20 -0.871 -1.226 15.189 1.00 0.00 C ATOM 179 ND1 HIS A 20 -0.664 -2.581 15.336 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.565 -0.668 16.384 1.00 0.00 C ATOM 181 CE1 HIS A 20 -0.252 -2.830 16.566 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.182 -1.686 17.222 1.00 0.00 N ATOM 0 H HIS A 20 -0.337 1.706 12.098 1.00 0.00 H new ATOM 0 HA HIS A 20 0.724 -0.636 13.326 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.946 0.273 14.146 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.997 -1.310 13.396 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.613 0.382 16.632 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.013 -3.804 16.967 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.109 -1.576 18.193 1.00 0.00 H new ATOM 191 N PRO A 21 0.046 -1.913 11.230 1.00 0.00 N ATOM 192 CA PRO A 21 -0.148 -2.521 9.910 1.00 0.00 C ATOM 193 C PRO A 21 -1.575 -3.018 9.709 1.00 0.00 C ATOM 194 O PRO A 21 -2.245 -3.415 10.662 1.00 0.00 O ATOM 195 CB PRO A 21 0.832 -3.694 9.913 1.00 0.00 C ATOM 196 CG PRO A 21 0.990 -4.051 11.351 1.00 0.00 C ATOM 197 CD PRO A 21 0.869 -2.760 12.114 1.00 0.00 C ATOM 0 HA PRO A 21 0.023 -1.809 9.102 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.445 -4.534 9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.786 -3.414 9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.225 -4.762 11.663 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.956 -4.522 11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.393 -2.910 13.083 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.845 -2.313 12.304 1.00 0.00 H new ATOM 205 N ILE A 22 -2.035 -2.994 8.463 1.00 0.00 N ATOM 206 CA ILE A 22 -3.384 -3.442 8.136 1.00 0.00 C ATOM 207 C ILE A 22 -3.481 -4.959 8.186 1.00 0.00 C ATOM 208 O ILE A 22 -4.400 -5.522 8.781 1.00 0.00 O ATOM 209 CB ILE A 22 -3.820 -2.946 6.732 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.283 -2.501 6.760 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.609 -4.016 5.656 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.492 -1.144 7.397 1.00 0.00 C ATOM 0 H ILE A 22 -1.493 -2.669 7.662 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.053 -3.015 8.883 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.190 -2.095 6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.666 -2.477 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.869 -3.242 7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.927 -3.627 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.553 -4.283 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.196 -4.901 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.553 -0.894 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.140 -1.168 8.428 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.934 -0.391 6.841 1.00 0.00 H new ATOM 224 N SER A 23 -2.538 -5.610 7.528 1.00 0.00 N ATOM 225 CA SER A 23 -2.517 -7.056 7.458 1.00 0.00 C ATOM 226 C SER A 23 -1.255 -7.539 6.764 1.00 0.00 C ATOM 227 O SER A 23 -0.323 -6.770 6.528 1.00 0.00 O ATOM 228 CB SER A 23 -3.754 -7.552 6.702 1.00 0.00 C ATOM 229 OG SER A 23 -3.745 -7.100 5.359 1.00 0.00 O ATOM 0 H SER A 23 -1.772 -5.154 7.032 1.00 0.00 H new ATOM 0 HA SER A 23 -2.527 -7.457 8.471 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.784 -8.641 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.656 -7.199 7.202 1.00 0.00 H new ATOM 0 HG SER A 23 -4.650 -6.826 5.100 1.00 0.00 H new ATOM 235 N MET A 24 -1.243 -8.816 6.442 1.00 0.00 N ATOM 236 CA MET A 24 -0.103 -9.430 5.769 1.00 0.00 C ATOM 237 C MET A 24 -0.522 -10.038 4.436 1.00 0.00 C ATOM 238 O MET A 24 -1.606 -10.609 4.318 1.00 0.00 O ATOM 239 CB MET A 24 0.526 -10.505 6.656 1.00 0.00 C ATOM 240 CG MET A 24 2.036 -10.602 6.517 1.00 0.00 C ATOM 241 SD MET A 24 2.644 -12.289 6.701 1.00 0.00 S ATOM 242 CE MET A 24 1.844 -13.091 5.313 1.00 0.00 C ATOM 0 H MET A 24 -2.012 -9.457 6.634 1.00 0.00 H new ATOM 0 HA MET A 24 0.635 -8.651 5.578 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.278 -10.296 7.697 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.084 -11.471 6.411 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.332 -10.218 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.507 -9.966 7.267 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.498 -13.866 4.914 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.908 -13.541 5.643 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.638 -12.354 4.536 1.00 0.00 H new ATOM 252 N ALA A 25 0.341 -9.913 3.432 1.00 0.00 N ATOM 253 CA ALA A 25 0.050 -10.455 2.111 1.00 0.00 C ATOM 254 C ALA A 25 1.315 -10.911 1.401 1.00 0.00 C ATOM 255 O ALA A 25 2.289 -10.167 1.300 1.00 0.00 O ATOM 256 CB ALA A 25 -0.695 -9.430 1.268 1.00 0.00 C ATOM 0 H ALA A 25 1.243 -9.443 3.508 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.586 -11.330 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.905 -9.851 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.633 -9.168 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.082 -8.536 1.157 1.00 0.00 H new ATOM 262 N VAL A 26 1.288 -12.144 0.909 1.00 0.00 N ATOM 263 CA VAL A 26 2.432 -12.711 0.205 1.00 0.00 C ATOM 264 C VAL A 26 2.274 -12.574 -1.305 1.00 0.00 C ATOM 265 O VAL A 26 1.162 -12.579 -1.827 1.00 0.00 O ATOM 266 CB VAL A 26 2.625 -14.195 0.555 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.934 -14.715 -0.021 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.576 -14.402 2.061 1.00 0.00 C ATOM 0 H VAL A 26 0.486 -12.770 0.985 1.00 0.00 H new ATOM 0 HA VAL A 26 3.310 -12.151 0.527 1.00 0.00 H new ATOM 0 HB VAL A 26 1.808 -14.762 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.053 -15.767 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.923 -14.607 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.766 -14.144 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.715 -15.459 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.369 -13.822 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.609 -14.073 2.442 1.00 0.00 H new ATOM 278 N ALA A 27 3.398 -12.457 -1.999 1.00 0.00 N ATOM 279 CA ALA A 27 3.392 -12.320 -3.448 1.00 0.00 C ATOM 280 C ALA A 27 2.776 -13.544 -4.115 1.00 0.00 C ATOM 281 O ALA A 27 3.189 -14.676 -3.860 1.00 0.00 O ATOM 282 CB ALA A 27 4.807 -12.100 -3.958 1.00 0.00 C ATOM 0 H ALA A 27 4.328 -12.454 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 27 2.781 -11.454 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.791 -11.999 -5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.216 -11.192 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.430 -12.951 -3.682 1.00 0.00 H new ATOM 288 N LEU A 28 1.792 -13.309 -4.974 1.00 0.00 N ATOM 289 CA LEU A 28 1.124 -14.394 -5.683 1.00 0.00 C ATOM 290 C LEU A 28 1.797 -14.667 -7.028 1.00 0.00 C ATOM 291 O LEU A 28 1.279 -15.440 -7.833 1.00 0.00 O ATOM 292 CB LEU A 28 -0.353 -14.060 -5.897 1.00 0.00 C ATOM 293 CG LEU A 28 -1.261 -15.269 -6.148 1.00 0.00 C ATOM 294 CD1 LEU A 28 -2.359 -15.345 -5.097 1.00 0.00 C ATOM 295 CD2 LEU A 28 -1.862 -15.209 -7.545 1.00 0.00 C ATOM 0 H LEU A 28 1.439 -12.378 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 28 1.201 -15.293 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.720 -13.525 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.437 -13.379 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.654 -16.171 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.992 -16.210 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.910 -15.441 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.962 -14.438 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.503 -16.076 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.452 -14.298 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.062 -15.210 -8.286 1.00 0.00 H new ATOM 307 N GLN A 29 2.955 -14.034 -7.251 1.00 0.00 N ATOM 308 CA GLN A 29 3.731 -14.190 -8.482 1.00 0.00 C ATOM 309 C GLN A 29 4.599 -12.962 -8.738 1.00 0.00 C ATOM 310 O GLN A 29 4.391 -11.906 -8.141 1.00 0.00 O ATOM 311 CB GLN A 29 2.827 -14.442 -9.690 1.00 0.00 C ATOM 312 CG GLN A 29 2.689 -15.914 -10.019 1.00 0.00 C ATOM 313 CD GLN A 29 1.401 -16.237 -10.750 1.00 0.00 C ATOM 314 OE1 GLN A 29 0.275 -15.827 -10.176 1.00 0.00 O flip ATOM 315 NE2 GLN A 29 1.415 -16.848 -11.819 1.00 0.00 N flip ATOM 0 H GLN A 29 3.380 -13.397 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 29 4.374 -15.060 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.840 -14.024 -9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.229 -13.916 -10.556 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.536 -16.225 -10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.732 -16.493 -9.096 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.302 -17.145 -12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.539 -17.057 -12.298 1.00 0.00 H new ATOM 324 N ASP A 30 5.575 -13.110 -9.630 1.00 0.00 N ATOM 325 CA ASP A 30 6.479 -12.015 -9.967 1.00 0.00 C ATOM 326 C ASP A 30 5.779 -10.988 -10.853 1.00 0.00 C ATOM 327 O ASP A 30 5.155 -11.340 -11.853 1.00 0.00 O ATOM 328 CB ASP A 30 7.724 -12.552 -10.675 1.00 0.00 C ATOM 329 CG ASP A 30 8.835 -11.523 -10.750 1.00 0.00 C ATOM 330 OD1 ASP A 30 9.644 -11.454 -9.801 1.00 0.00 O ATOM 331 OD2 ASP A 30 8.896 -10.788 -11.757 1.00 0.00 O ATOM 0 H ASP A 30 5.760 -13.978 -10.132 1.00 0.00 H new ATOM 0 HA ASP A 30 6.780 -11.526 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.085 -13.435 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.457 -12.869 -11.683 1.00 0.00 H new ATOM 336 N TYR A 31 5.884 -9.717 -10.475 1.00 0.00 N ATOM 337 CA TYR A 31 5.254 -8.645 -11.237 1.00 0.00 C ATOM 338 C TYR A 31 5.877 -7.289 -10.899 1.00 0.00 C ATOM 339 O TYR A 31 5.610 -6.720 -9.842 1.00 0.00 O ATOM 340 CB TYR A 31 3.745 -8.628 -10.962 1.00 0.00 C ATOM 341 CG TYR A 31 3.067 -7.317 -11.295 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.956 -6.313 -10.343 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.539 -7.085 -12.559 1.00 0.00 C ATOM 344 CE1 TYR A 31 2.338 -5.114 -10.638 1.00 0.00 C ATOM 345 CE2 TYR A 31 1.919 -5.887 -12.863 1.00 0.00 C ATOM 346 CZ TYR A 31 1.821 -4.906 -11.899 1.00 0.00 C ATOM 347 OH TYR A 31 1.205 -3.712 -12.197 1.00 0.00 O ATOM 0 H TYR A 31 6.397 -9.406 -9.650 1.00 0.00 H new ATOM 0 HA TYR A 31 5.420 -8.832 -12.298 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.273 -9.424 -11.538 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.577 -8.854 -9.909 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.360 -6.472 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.614 -7.852 -13.316 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.260 -4.344 -9.885 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.514 -5.721 -13.850 1.00 0.00 H new ATOM 0 HH TYR A 31 0.897 -3.726 -13.127 1.00 0.00 H new ATOM 357 N MET A 32 6.711 -6.783 -11.804 1.00 0.00 N ATOM 358 CA MET A 32 7.372 -5.516 -11.612 1.00 0.00 C ATOM 359 C MET A 32 6.368 -4.368 -11.586 1.00 0.00 C ATOM 360 O MET A 32 5.442 -4.324 -12.395 1.00 0.00 O ATOM 361 CB MET A 32 8.404 -5.281 -12.717 1.00 0.00 C ATOM 362 CG MET A 32 9.576 -4.417 -12.277 1.00 0.00 C ATOM 363 SD MET A 32 10.871 -4.314 -13.527 1.00 0.00 S ATOM 364 CE MET A 32 12.202 -3.586 -12.575 1.00 0.00 C ATOM 0 H MET A 32 6.940 -7.245 -12.684 1.00 0.00 H new ATOM 0 HA MET A 32 7.880 -5.548 -10.648 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.781 -6.244 -13.062 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.913 -4.808 -13.568 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.217 -3.414 -12.048 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.996 -4.823 -11.357 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.077 -3.458 -13.212 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.887 -2.615 -12.193 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.453 -4.241 -11.740 1.00 0.00 H new ATOM 374 N ALA A 33 6.555 -3.448 -10.640 1.00 0.00 N ATOM 375 CA ALA A 33 5.677 -2.300 -10.481 1.00 0.00 C ATOM 376 C ALA A 33 5.232 -1.728 -11.828 1.00 0.00 C ATOM 377 O ALA A 33 5.973 -1.782 -12.809 1.00 0.00 O ATOM 378 CB ALA A 33 6.365 -1.226 -9.651 1.00 0.00 C ATOM 0 H ALA A 33 7.320 -3.482 -9.966 1.00 0.00 H new ATOM 0 HA ALA A 33 4.781 -2.640 -9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.699 -0.371 -9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.610 -1.627 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.280 -0.909 -10.152 1.00 0.00 H new ATOM 384 N PRO A 34 4.011 -1.167 -11.890 1.00 0.00 N ATOM 385 CA PRO A 34 3.473 -0.583 -13.122 1.00 0.00 C ATOM 386 C PRO A 34 4.412 0.452 -13.730 1.00 0.00 C ATOM 387 O PRO A 34 4.742 0.386 -14.914 1.00 0.00 O ATOM 388 CB PRO A 34 2.171 0.081 -12.665 1.00 0.00 C ATOM 389 CG PRO A 34 1.778 -0.659 -11.433 1.00 0.00 C ATOM 390 CD PRO A 34 3.063 -1.059 -10.765 1.00 0.00 C ATOM 0 HA PRO A 34 3.333 -1.334 -13.900 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.319 1.141 -12.459 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.400 0.009 -13.432 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.175 -0.032 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.176 -1.534 -11.678 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.386 -0.315 -10.037 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.962 -2.004 -10.232 1.00 0.00 H new ATOM 398 N ASP A 35 4.840 1.408 -12.912 1.00 0.00 N ATOM 399 CA ASP A 35 5.743 2.458 -13.370 1.00 0.00 C ATOM 400 C ASP A 35 6.260 3.282 -12.195 1.00 0.00 C ATOM 401 O ASP A 35 6.001 2.961 -11.036 1.00 0.00 O ATOM 402 CB ASP A 35 5.032 3.368 -14.374 1.00 0.00 C ATOM 403 CG ASP A 35 5.940 3.794 -15.511 1.00 0.00 C ATOM 404 OD1 ASP A 35 6.629 2.921 -16.079 1.00 0.00 O ATOM 405 OD2 ASP A 35 5.963 5.000 -15.832 1.00 0.00 O ATOM 0 H ASP A 35 4.576 1.477 -11.929 1.00 0.00 H new ATOM 0 HA ASP A 35 6.594 1.984 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.164 2.848 -14.781 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.660 4.253 -13.858 1.00 0.00 H new ATOM 410 N CYS A 36 6.992 4.347 -12.506 1.00 0.00 N ATOM 411 CA CYS A 36 7.547 5.221 -11.477 1.00 0.00 C ATOM 412 C CYS A 36 8.499 4.459 -10.558 1.00 0.00 C ATOM 413 O CYS A 36 8.774 4.893 -9.439 1.00 0.00 O ATOM 414 CB CYS A 36 6.423 5.852 -10.655 1.00 0.00 C ATOM 415 SG CYS A 36 5.665 7.316 -11.431 1.00 0.00 S ATOM 0 H CYS A 36 7.215 4.626 -13.461 1.00 0.00 H new ATOM 0 HA CYS A 36 8.112 6.008 -11.976 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.649 5.104 -10.483 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.816 6.134 -9.678 1.00 0.00 H new ATOM 420 N ARG A 37 8.999 3.321 -11.034 1.00 0.00 N ATOM 421 CA ARG A 37 9.920 2.502 -10.251 1.00 0.00 C ATOM 422 C ARG A 37 9.341 2.191 -8.872 1.00 0.00 C ATOM 423 O ARG A 37 9.989 2.412 -7.849 1.00 0.00 O ATOM 424 CB ARG A 37 11.268 3.213 -10.104 1.00 0.00 C ATOM 425 CG ARG A 37 12.410 2.282 -9.728 1.00 0.00 C ATOM 426 CD ARG A 37 13.048 2.684 -8.406 1.00 0.00 C ATOM 427 NE ARG A 37 14.487 2.435 -8.396 1.00 0.00 N ATOM 428 CZ ARG A 37 15.220 2.366 -7.286 1.00 0.00 C ATOM 429 NH1 ARG A 37 14.652 2.528 -6.097 1.00 0.00 N ATOM 430 NH2 ARG A 37 16.522 2.135 -7.365 1.00 0.00 N ATOM 0 H ARG A 37 8.782 2.946 -11.957 1.00 0.00 H new ATOM 0 HA ARG A 37 10.068 1.561 -10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.511 3.711 -11.043 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.179 3.990 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.039 1.260 -9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.164 2.294 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.862 3.742 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.578 2.130 -7.593 1.00 0.00 H new ATOM 0 HE ARG A 37 14.958 2.306 -9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.650 2.706 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.218 2.474 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.963 2.010 -8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.083 2.082 -6.515 1.00 0.00 H new ATOM 444 N PHE A 38 8.115 1.678 -8.854 1.00 0.00 N ATOM 445 CA PHE A 38 7.447 1.338 -7.602 1.00 0.00 C ATOM 446 C PHE A 38 7.994 0.033 -7.029 1.00 0.00 C ATOM 447 O PHE A 38 8.965 -0.523 -7.540 1.00 0.00 O ATOM 448 CB PHE A 38 5.936 1.224 -7.820 1.00 0.00 C ATOM 449 CG PHE A 38 5.164 2.399 -7.293 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.142 2.679 -5.937 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.460 3.225 -8.155 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.433 3.761 -5.448 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.750 4.309 -7.673 1.00 0.00 C ATOM 454 CZ PHE A 38 3.736 4.576 -6.318 1.00 0.00 C ATOM 0 H PHE A 38 7.564 1.489 -9.691 1.00 0.00 H new ATOM 0 HA PHE A 38 7.643 2.136 -6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.738 1.118 -8.887 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.575 0.316 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.685 2.044 -5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.466 3.020 -9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.424 3.968 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.207 4.946 -8.355 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.181 5.421 -5.939 1.00 0.00 H new ATOM 464 N LEU A 39 7.361 -0.448 -5.964 1.00 0.00 N ATOM 465 CA LEU A 39 7.781 -1.687 -5.317 1.00 0.00 C ATOM 466 C LEU A 39 7.240 -2.902 -6.064 1.00 0.00 C ATOM 467 O LEU A 39 6.046 -3.195 -6.008 1.00 0.00 O ATOM 468 CB LEU A 39 7.300 -1.713 -3.865 1.00 0.00 C ATOM 469 CG LEU A 39 8.229 -2.431 -2.885 1.00 0.00 C ATOM 470 CD1 LEU A 39 9.634 -1.852 -2.960 1.00 0.00 C ATOM 471 CD2 LEU A 39 7.684 -2.334 -1.469 1.00 0.00 C ATOM 0 H LEU A 39 6.555 0.001 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 39 8.870 -1.727 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.163 -0.686 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.322 -2.193 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 39 8.278 -3.484 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.281 -2.375 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.024 -1.973 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.605 -0.792 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.357 -2.850 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.606 -1.286 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.698 -2.797 -1.426 1.00 0.00 H new ATOM 483 N THR A 40 8.125 -3.606 -6.763 1.00 0.00 N ATOM 484 CA THR A 40 7.731 -4.788 -7.521 1.00 0.00 C ATOM 485 C THR A 40 7.376 -5.944 -6.593 1.00 0.00 C ATOM 486 O THR A 40 7.612 -5.884 -5.387 1.00 0.00 O ATOM 487 CB THR A 40 8.850 -5.217 -8.472 1.00 0.00 C ATOM 488 OG1 THR A 40 8.611 -6.523 -8.966 1.00 0.00 O ATOM 489 CG2 THR A 40 10.219 -5.224 -7.834 1.00 0.00 C ATOM 0 H THR A 40 9.118 -3.379 -6.820 1.00 0.00 H new ATOM 0 HA THR A 40 6.848 -4.526 -8.103 1.00 0.00 H new ATOM 0 HB THR A 40 8.843 -4.475 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.272 -6.738 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.961 -5.538 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.461 -4.222 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.225 -5.917 -6.993 1.00 0.00 H new ATOM 497 N ILE A 41 6.811 -6.996 -7.172 1.00 0.00 N ATOM 498 CA ILE A 41 6.421 -8.176 -6.413 1.00 0.00 C ATOM 499 C ILE A 41 7.103 -9.423 -6.973 1.00 0.00 C ATOM 500 O ILE A 41 7.228 -9.577 -8.187 1.00 0.00 O ATOM 501 CB ILE A 41 4.890 -8.371 -6.433 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.194 -7.151 -5.826 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.498 -9.638 -5.684 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.217 -5.932 -6.724 1.00 0.00 C ATOM 0 H ILE A 41 6.612 -7.055 -8.171 1.00 0.00 H new ATOM 0 HA ILE A 41 6.739 -8.024 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 41 4.569 -8.477 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.159 -7.408 -5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.673 -6.903 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.415 -9.756 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.969 -10.500 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.830 -9.566 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.706 -5.106 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.250 -5.650 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.712 -6.162 -7.662 1.00 0.00 H new ATOM 516 N HIS A 42 7.547 -10.305 -6.082 1.00 0.00 N ATOM 517 CA HIS A 42 8.221 -11.533 -6.493 1.00 0.00 C ATOM 518 C HIS A 42 7.702 -12.734 -5.709 1.00 0.00 C ATOM 519 O HIS A 42 7.441 -12.639 -4.510 1.00 0.00 O ATOM 520 CB HIS A 42 9.732 -11.400 -6.298 1.00 0.00 C ATOM 521 CG HIS A 42 10.517 -12.517 -6.913 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.405 -13.830 -6.505 1.00 0.00 N ATOM 523 CD2 HIS A 42 11.429 -12.513 -7.914 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.215 -14.584 -7.227 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.847 -13.810 -8.088 1.00 0.00 N ATOM 0 H HIS A 42 7.453 -10.193 -5.073 1.00 0.00 H new ATOM 0 HA HIS A 42 8.008 -11.694 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.063 -10.455 -6.728 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.950 -11.359 -5.231 1.00 0.00 H new ATOM 0 HD1 HIS A 42 9.792 -14.166 -5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.765 -11.651 -8.471 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.339 -15.652 -7.129 1.00 0.00 H new ATOM 534 N ARG A 43 7.550 -13.865 -6.399 1.00 0.00 N ATOM 535 CA ARG A 43 7.059 -15.094 -5.781 1.00 0.00 C ATOM 536 C ARG A 43 7.687 -15.334 -4.412 1.00 0.00 C ATOM 537 O ARG A 43 8.736 -14.777 -4.088 1.00 0.00 O ATOM 538 CB ARG A 43 7.347 -16.294 -6.687 1.00 0.00 C ATOM 539 CG ARG A 43 6.174 -16.702 -7.562 1.00 0.00 C ATOM 540 CD ARG A 43 4.919 -16.961 -6.742 1.00 0.00 C ATOM 541 NE ARG A 43 5.095 -18.075 -5.812 1.00 0.00 N ATOM 542 CZ ARG A 43 4.267 -18.336 -4.804 1.00 0.00 C ATOM 543 NH1 ARG A 43 3.210 -17.563 -4.585 1.00 0.00 N ATOM 544 NH2 ARG A 43 4.498 -19.372 -4.009 1.00 0.00 N ATOM 0 H ARG A 43 7.762 -13.954 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 43 5.983 -14.979 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.199 -16.058 -7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.638 -17.143 -6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.975 -15.917 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.434 -17.600 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.657 -16.061 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.086 -17.175 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 43 5.900 -18.688 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.029 -16.763 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.579 -17.769 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.310 -19.968 -4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.864 -19.573 -3.236 1.00 0.00 H new ATOM 558 N GLY A 44 7.032 -16.181 -3.623 1.00 0.00 N ATOM 559 CA GLY A 44 7.520 -16.512 -2.293 1.00 0.00 C ATOM 560 C GLY A 44 8.060 -15.312 -1.535 1.00 0.00 C ATOM 561 O GLY A 44 9.102 -15.399 -0.886 1.00 0.00 O ATOM 0 H GLY A 44 6.164 -16.649 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.710 -16.962 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.306 -17.263 -2.378 1.00 0.00 H new ATOM 565 N GLN A 45 7.352 -14.191 -1.618 1.00 0.00 N ATOM 566 CA GLN A 45 7.773 -12.974 -0.935 1.00 0.00 C ATOM 567 C GLN A 45 6.624 -12.369 -0.137 1.00 0.00 C ATOM 568 O GLN A 45 5.648 -11.881 -0.708 1.00 0.00 O ATOM 569 CB GLN A 45 8.299 -11.954 -1.946 1.00 0.00 C ATOM 570 CG GLN A 45 9.224 -10.913 -1.336 1.00 0.00 C ATOM 571 CD GLN A 45 9.998 -10.137 -2.383 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.282 -9.557 -3.339 1.00 0.00 O flip ATOM 573 NE2 GLN A 45 11.226 -10.060 -2.334 1.00 0.00 N flip ATOM 0 H GLN A 45 6.486 -14.100 -2.150 1.00 0.00 H new ATOM 0 HA GLN A 45 8.572 -13.236 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.831 -12.481 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.454 -11.448 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.637 -10.219 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.925 -11.405 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.736 -10.522 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.733 -9.535 -3.046 1.00 0.00 H new ATOM 582 N VAL A 46 6.749 -12.394 1.186 1.00 0.00 N ATOM 583 CA VAL A 46 5.724 -11.839 2.057 1.00 0.00 C ATOM 584 C VAL A 46 5.700 -10.318 1.945 1.00 0.00 C ATOM 585 O VAL A 46 6.691 -9.706 1.552 1.00 0.00 O ATOM 586 CB VAL A 46 5.961 -12.242 3.526 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.893 -11.647 4.432 1.00 0.00 C ATOM 588 CG2 VAL A 46 5.999 -13.757 3.661 1.00 0.00 C ATOM 0 H VAL A 46 7.550 -12.793 1.676 1.00 0.00 H new ATOM 0 HA VAL A 46 4.764 -12.243 1.737 1.00 0.00 H new ATOM 0 HB VAL A 46 6.926 -11.843 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.083 -11.946 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.918 -10.560 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.912 -12.008 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.167 -14.025 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.050 -14.176 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.807 -14.157 3.049 1.00 0.00 H new ATOM 598 N VAL A 47 4.569 -9.713 2.292 1.00 0.00 N ATOM 599 CA VAL A 47 4.423 -8.281 2.230 1.00 0.00 C ATOM 600 C VAL A 47 3.471 -7.780 3.307 1.00 0.00 C ATOM 601 O VAL A 47 2.374 -8.312 3.476 1.00 0.00 O ATOM 602 CB VAL A 47 3.918 -7.820 0.848 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.021 -6.313 0.694 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.668 -8.529 -0.269 1.00 0.00 C ATOM 0 H VAL A 47 3.739 -10.206 2.621 1.00 0.00 H new ATOM 0 HA VAL A 47 5.412 -7.856 2.399 1.00 0.00 H new ATOM 0 HB VAL A 47 2.864 -8.090 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.657 -6.022 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.419 -5.827 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.062 -6.007 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.293 -8.186 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.732 -8.304 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.517 -9.605 -0.183 1.00 0.00 H new ATOM 614 N TYR A 48 3.896 -6.758 4.039 1.00 0.00 N ATOM 615 CA TYR A 48 3.079 -6.191 5.105 1.00 0.00 C ATOM 616 C TYR A 48 2.342 -4.945 4.628 1.00 0.00 C ATOM 617 O TYR A 48 2.919 -3.861 4.553 1.00 0.00 O ATOM 618 CB TYR A 48 3.949 -5.849 6.316 1.00 0.00 C ATOM 619 CG TYR A 48 4.103 -6.992 7.295 1.00 0.00 C ATOM 620 CD1 TYR A 48 4.730 -8.174 6.920 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.620 -6.887 8.594 1.00 0.00 C ATOM 622 CE1 TYR A 48 4.870 -9.219 7.812 1.00 0.00 C ATOM 623 CE2 TYR A 48 3.758 -7.929 9.490 1.00 0.00 C ATOM 624 CZ TYR A 48 4.383 -9.093 9.095 1.00 0.00 C ATOM 625 OH TYR A 48 4.522 -10.132 9.986 1.00 0.00 O ATOM 0 H TYR A 48 4.801 -6.305 3.914 1.00 0.00 H new ATOM 0 HA TYR A 48 2.340 -6.938 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.936 -5.544 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.515 -4.994 6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.114 -8.277 5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.130 -5.977 8.907 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.359 -10.132 7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.378 -7.833 10.496 1.00 0.00 H new ATOM 0 HH TYR A 48 4.126 -9.880 10.846 1.00 0.00 H new ATOM 635 N VAL A 49 1.061 -5.107 4.313 1.00 0.00 N ATOM 636 CA VAL A 49 0.242 -3.994 3.851 1.00 0.00 C ATOM 637 C VAL A 49 -0.099 -3.056 5.005 1.00 0.00 C ATOM 638 O VAL A 49 -0.517 -3.500 6.075 1.00 0.00 O ATOM 639 CB VAL A 49 -1.063 -4.488 3.198 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.831 -3.326 2.585 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.765 -5.551 2.150 1.00 0.00 C ATOM 0 H VAL A 49 0.568 -5.998 4.369 1.00 0.00 H new ATOM 0 HA VAL A 49 0.826 -3.455 3.105 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.687 -4.935 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.749 -3.697 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.078 -2.603 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.217 -2.845 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.698 -5.889 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.120 -5.130 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.263 -6.396 2.621 1.00 0.00 H new ATOM 651 N PHE A 50 0.089 -1.760 4.784 1.00 0.00 N ATOM 652 CA PHE A 50 -0.194 -0.763 5.809 1.00 0.00 C ATOM 653 C PHE A 50 -1.367 0.127 5.408 1.00 0.00 C ATOM 654 O PHE A 50 -2.034 0.708 6.264 1.00 0.00 O ATOM 655 CB PHE A 50 1.046 0.096 6.066 1.00 0.00 C ATOM 656 CG PHE A 50 2.086 -0.590 6.906 1.00 0.00 C ATOM 657 CD1 PHE A 50 3.056 -1.386 6.318 1.00 0.00 C ATOM 658 CD2 PHE A 50 2.093 -0.440 8.283 1.00 0.00 C ATOM 659 CE1 PHE A 50 4.014 -2.018 7.088 1.00 0.00 C ATOM 660 CE2 PHE A 50 3.048 -1.070 9.059 1.00 0.00 C ATOM 661 CZ PHE A 50 4.010 -1.860 8.460 1.00 0.00 C ATOM 0 H PHE A 50 0.436 -1.376 3.905 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.464 -1.291 6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.489 0.376 5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.743 1.019 6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.063 -1.514 5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.343 0.177 8.756 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.765 -2.635 6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.042 -0.945 10.132 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.758 -2.353 9.064 1.00 0.00 H new ATOM 671 N SER A 51 -1.617 0.232 4.106 1.00 0.00 N ATOM 672 CA SER A 51 -2.712 1.056 3.609 1.00 0.00 C ATOM 673 C SER A 51 -3.386 0.405 2.406 1.00 0.00 C ATOM 674 O SER A 51 -2.751 -0.324 1.644 1.00 0.00 O ATOM 675 CB SER A 51 -2.199 2.446 3.229 1.00 0.00 C ATOM 676 OG SER A 51 -0.832 2.403 2.857 1.00 0.00 O ATOM 0 H SER A 51 -1.079 -0.241 3.380 1.00 0.00 H new ATOM 0 HA SER A 51 -3.450 1.151 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.791 2.842 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.329 3.127 4.070 1.00 0.00 H new ATOM 0 HG SER A 51 -0.530 3.304 2.617 1.00 0.00 H new ATOM 682 N LYS A 52 -4.676 0.678 2.241 1.00 0.00 N ATOM 683 CA LYS A 52 -5.441 0.126 1.129 1.00 0.00 C ATOM 684 C LYS A 52 -6.357 1.184 0.528 1.00 0.00 C ATOM 685 O LYS A 52 -7.545 1.245 0.843 1.00 0.00 O ATOM 686 CB LYS A 52 -6.265 -1.076 1.595 1.00 0.00 C ATOM 687 CG LYS A 52 -6.972 -0.853 2.922 1.00 0.00 C ATOM 688 CD LYS A 52 -8.193 -1.751 3.065 1.00 0.00 C ATOM 689 CE LYS A 52 -9.486 -0.953 2.989 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.628 -0.244 1.688 1.00 0.00 N ATOM 0 H LYS A 52 -5.214 1.279 2.865 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.739 -0.202 0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.007 -1.314 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.610 -1.943 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.279 -1.047 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.276 0.191 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.184 -2.506 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.147 -2.280 4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.334 -1.623 3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.513 -0.228 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.191 0.620 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.686 0.010 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.106 -0.865 1.004 1.00 0.00 H new ATOM 704 N LEU A 53 -5.795 2.021 -0.339 1.00 0.00 N ATOM 705 CA LEU A 53 -6.560 3.081 -0.985 1.00 0.00 C ATOM 706 C LEU A 53 -7.617 2.498 -1.915 1.00 0.00 C ATOM 707 O LEU A 53 -7.292 1.833 -2.898 1.00 0.00 O ATOM 708 CB LEU A 53 -5.628 4.007 -1.768 1.00 0.00 C ATOM 709 CG LEU A 53 -6.250 5.334 -2.207 1.00 0.00 C ATOM 710 CD1 LEU A 53 -5.169 6.315 -2.634 1.00 0.00 C ATOM 711 CD2 LEU A 53 -7.244 5.107 -3.337 1.00 0.00 C ATOM 0 H LEU A 53 -4.812 1.985 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.063 3.657 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.753 4.219 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.276 3.478 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.785 5.762 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.630 7.253 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.495 6.500 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.606 5.896 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.677 6.061 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.732 4.657 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.036 4.440 -2.996 1.00 0.00 H new ATOM 723 N LYS A 54 -8.882 2.754 -1.600 1.00 0.00 N ATOM 724 CA LYS A 54 -9.987 2.256 -2.410 1.00 0.00 C ATOM 725 C LYS A 54 -10.896 3.399 -2.851 1.00 0.00 C ATOM 726 O LYS A 54 -10.519 4.567 -2.772 1.00 0.00 O ATOM 727 CB LYS A 54 -10.787 1.207 -1.631 1.00 0.00 C ATOM 728 CG LYS A 54 -11.554 1.775 -0.447 1.00 0.00 C ATOM 729 CD LYS A 54 -12.760 0.916 -0.105 1.00 0.00 C ATOM 730 CE LYS A 54 -13.100 0.997 1.375 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.354 0.263 1.697 1.00 0.00 N ATOM 0 H LYS A 54 -9.167 3.304 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.572 1.788 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.490 0.723 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.105 0.435 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.894 1.840 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.881 2.789 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.618 1.240 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.559 -0.120 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.278 0.585 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.206 2.042 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.551 0.342 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.144 0.673 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.245 -0.739 1.443 1.00 0.00 H new ATOM 745 N GLY A 55 -12.092 3.055 -3.321 1.00 0.00 N ATOM 746 CA GLY A 55 -13.025 4.069 -3.773 1.00 0.00 C ATOM 747 C GLY A 55 -12.617 4.665 -5.103 1.00 0.00 C ATOM 748 O GLY A 55 -13.328 4.527 -6.100 1.00 0.00 O ATOM 0 H GLY A 55 -12.430 2.095 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.020 3.632 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.090 4.860 -3.026 1.00 0.00 H new ATOM 752 N ARG A 56 -11.464 5.325 -5.121 1.00 0.00 N ATOM 753 CA ARG A 56 -10.953 5.940 -6.340 1.00 0.00 C ATOM 754 C ARG A 56 -9.553 5.423 -6.670 1.00 0.00 C ATOM 755 O ARG A 56 -8.846 6.010 -7.490 1.00 0.00 O ATOM 756 CB ARG A 56 -10.923 7.463 -6.194 1.00 0.00 C ATOM 757 CG ARG A 56 -12.303 8.098 -6.142 1.00 0.00 C ATOM 758 CD ARG A 56 -12.861 8.331 -7.537 1.00 0.00 C ATOM 759 NE ARG A 56 -13.730 7.239 -7.969 1.00 0.00 N ATOM 760 CZ ARG A 56 -14.051 7.004 -9.239 1.00 0.00 C ATOM 761 NH1 ARG A 56 -13.580 7.783 -10.205 1.00 0.00 N ATOM 762 NH2 ARG A 56 -14.847 5.988 -9.544 1.00 0.00 N ATOM 0 H ARG A 56 -10.865 5.448 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.622 5.671 -7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.379 7.722 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.368 7.889 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.980 7.454 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.249 9.046 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.420 9.267 -7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.038 8.440 -8.243 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.113 6.620 -7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.969 8.567 -9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.829 7.598 -11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.213 5.387 -8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.093 5.807 -10.517 1.00 0.00 H new ATOM 776 N GLY A 57 -9.154 4.325 -6.028 1.00 0.00 N ATOM 777 CA GLY A 57 -7.839 3.764 -6.277 1.00 0.00 C ATOM 778 C GLY A 57 -7.667 2.374 -5.692 1.00 0.00 C ATOM 779 O GLY A 57 -6.559 1.984 -5.326 1.00 0.00 O ATOM 0 H GLY A 57 -9.716 3.818 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.665 3.724 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.082 4.426 -5.856 1.00 0.00 H new ATOM 783 N ARG A 58 -8.763 1.624 -5.603 1.00 0.00 N ATOM 784 CA ARG A 58 -8.724 0.271 -5.060 1.00 0.00 C ATOM 785 C ARG A 58 -7.633 -0.560 -5.730 1.00 0.00 C ATOM 786 O ARG A 58 -7.085 -1.484 -5.130 1.00 0.00 O ATOM 787 CB ARG A 58 -10.083 -0.410 -5.239 1.00 0.00 C ATOM 788 CG ARG A 58 -10.358 -1.497 -4.212 1.00 0.00 C ATOM 789 CD ARG A 58 -10.599 -2.845 -4.873 1.00 0.00 C ATOM 790 NE ARG A 58 -10.280 -3.957 -3.981 1.00 0.00 N ATOM 791 CZ ARG A 58 -9.042 -4.389 -3.750 1.00 0.00 C ATOM 792 NH1 ARG A 58 -8.006 -3.806 -4.340 1.00 0.00 N ATOM 793 NH2 ARG A 58 -8.838 -5.407 -2.924 1.00 0.00 N ATOM 0 H ARG A 58 -9.689 1.932 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.495 0.342 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.869 0.343 -5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.134 -0.844 -6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.513 -1.573 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.228 -1.223 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.642 -2.916 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.993 -2.919 -5.776 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.050 -4.430 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.156 -3.022 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.060 -4.142 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.630 -5.859 -2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.890 -5.738 -2.747 1.00 0.00 H new ATOM 807 N LEU A 59 -7.327 -0.227 -6.980 1.00 0.00 N ATOM 808 CA LEU A 59 -6.312 -0.938 -7.738 1.00 0.00 C ATOM 809 C LEU A 59 -4.900 -0.589 -7.265 1.00 0.00 C ATOM 810 O LEU A 59 -3.922 -1.161 -7.746 1.00 0.00 O ATOM 811 CB LEU A 59 -6.451 -0.629 -9.230 1.00 0.00 C ATOM 812 CG LEU A 59 -6.722 0.841 -9.567 1.00 0.00 C ATOM 813 CD1 LEU A 59 -5.726 1.349 -10.595 1.00 0.00 C ATOM 814 CD2 LEU A 59 -8.148 1.018 -10.070 1.00 0.00 C ATOM 0 H LEU A 59 -7.773 0.536 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.467 -2.004 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.537 -0.939 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.261 -1.234 -9.637 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.602 1.429 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.937 2.395 -10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.715 1.260 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.811 0.758 -11.507 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.323 2.068 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.295 0.416 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.848 0.697 -9.299 1.00 0.00 H new ATOM 826 N PHE A 60 -4.789 0.350 -6.329 1.00 0.00 N ATOM 827 CA PHE A 60 -3.487 0.759 -5.813 1.00 0.00 C ATOM 828 C PHE A 60 -3.459 0.714 -4.288 1.00 0.00 C ATOM 829 O PHE A 60 -3.813 1.685 -3.621 1.00 0.00 O ATOM 830 CB PHE A 60 -3.141 2.168 -6.304 1.00 0.00 C ATOM 831 CG PHE A 60 -1.820 2.250 -7.016 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.437 1.265 -7.913 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.961 3.314 -6.789 1.00 0.00 C ATOM 834 CE1 PHE A 60 -0.223 1.340 -8.570 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.254 3.394 -7.442 1.00 0.00 C ATOM 836 CZ PHE A 60 0.624 2.406 -8.334 1.00 0.00 C ATOM 0 H PHE A 60 -5.582 0.840 -5.914 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.741 0.057 -6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.928 2.513 -6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.128 2.848 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.095 0.429 -8.101 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.245 4.090 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.063 0.566 -9.267 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.914 4.228 -7.255 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.573 2.467 -8.846 1.00 0.00 H new ATOM 846 N TRP A 61 -3.028 -0.420 -3.746 1.00 0.00 N ATOM 847 CA TRP A 61 -2.945 -0.595 -2.300 1.00 0.00 C ATOM 848 C TRP A 61 -1.546 -0.255 -1.795 1.00 0.00 C ATOM 849 O TRP A 61 -0.565 -0.386 -2.527 1.00 0.00 O ATOM 850 CB TRP A 61 -3.302 -2.033 -1.917 1.00 0.00 C ATOM 851 CG TRP A 61 -4.777 -2.269 -1.805 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.768 -1.603 -2.467 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.430 -3.240 -0.979 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.993 -2.097 -2.105 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.814 -3.104 -1.192 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.979 -4.211 -0.081 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.750 -3.903 -0.541 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.908 -5.004 0.565 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.280 -4.846 0.333 1.00 0.00 C ATOM 0 H TRP A 61 -2.731 -1.232 -4.286 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.658 0.084 -1.833 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.888 -2.713 -2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.829 -2.276 -0.965 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.609 -0.802 -3.174 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.892 -1.769 -2.457 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.923 -4.339 0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.808 -3.783 -0.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.570 -5.758 1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.981 -5.481 0.854 1.00 0.00 H new ATOM 870 N GLY A 62 -1.460 0.181 -0.542 1.00 0.00 N ATOM 871 CA GLY A 62 -0.176 0.530 0.034 1.00 0.00 C ATOM 872 C GLY A 62 0.350 -0.543 0.966 1.00 0.00 C ATOM 873 O GLY A 62 -0.358 -0.990 1.869 1.00 0.00 O ATOM 0 H GLY A 62 -2.257 0.298 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.545 0.697 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.269 1.468 0.581 1.00 0.00 H new ATOM 877 N GLY A 63 1.593 -0.958 0.750 1.00 0.00 N ATOM 878 CA GLY A 63 2.185 -1.982 1.589 1.00 0.00 C ATOM 879 C GLY A 63 3.700 -1.954 1.569 1.00 0.00 C ATOM 880 O GLY A 63 4.306 -0.945 1.210 1.00 0.00 O ATOM 0 H GLY A 63 2.200 -0.604 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.837 -1.852 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.840 -2.961 1.257 1.00 0.00 H new ATOM 884 N SER A 64 4.311 -3.070 1.953 1.00 0.00 N ATOM 885 CA SER A 64 5.765 -3.182 1.979 1.00 0.00 C ATOM 886 C SER A 64 6.175 -4.644 1.899 1.00 0.00 C ATOM 887 O SER A 64 5.683 -5.475 2.662 1.00 0.00 O ATOM 888 CB SER A 64 6.330 -2.543 3.250 1.00 0.00 C ATOM 889 OG SER A 64 5.315 -2.354 4.222 1.00 0.00 O ATOM 0 H SER A 64 3.820 -3.913 2.251 1.00 0.00 H new ATOM 0 HA SER A 64 6.171 -2.652 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.117 -3.176 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.787 -1.584 3.006 1.00 0.00 H new ATOM 0 HG SER A 64 5.658 -1.792 4.948 1.00 0.00 H new ATOM 895 N VAL A 65 7.071 -4.961 0.974 1.00 0.00 N ATOM 896 CA VAL A 65 7.519 -6.320 0.802 1.00 0.00 C ATOM 897 C VAL A 65 8.457 -6.719 1.919 1.00 0.00 C ATOM 898 O VAL A 65 9.140 -5.890 2.522 1.00 0.00 O ATOM 899 CB VAL A 65 8.232 -6.561 -0.550 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.490 -7.603 -1.372 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.401 -5.274 -1.350 1.00 0.00 C ATOM 0 H VAL A 65 7.497 -4.289 0.335 1.00 0.00 H new ATOM 0 HA VAL A 65 6.618 -6.932 0.820 1.00 0.00 H new ATOM 0 HB VAL A 65 9.230 -6.936 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.009 -7.757 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.454 -8.543 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.475 -7.257 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.906 -5.494 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.422 -4.843 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.996 -4.564 -0.776 1.00 0.00 H new ATOM 911 N GLN A 66 8.469 -8.003 2.172 1.00 0.00 N ATOM 912 CA GLN A 66 9.308 -8.585 3.215 1.00 0.00 C ATOM 913 C GLN A 66 10.778 -8.252 2.983 1.00 0.00 C ATOM 914 O GLN A 66 11.177 -7.894 1.874 1.00 0.00 O ATOM 915 CB GLN A 66 9.118 -10.102 3.263 1.00 0.00 C ATOM 916 CG GLN A 66 9.539 -10.810 1.985 1.00 0.00 C ATOM 917 CD GLN A 66 10.272 -12.109 2.255 1.00 0.00 C ATOM 918 OE1 GLN A 66 11.406 -12.300 1.815 1.00 0.00 O ATOM 919 NE2 GLN A 66 9.625 -13.014 2.981 1.00 0.00 N ATOM 0 H GLN A 66 7.901 -8.683 1.667 1.00 0.00 H new ATOM 0 HA GLN A 66 9.005 -8.156 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.692 -10.505 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.069 -10.322 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.656 -11.014 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.180 -10.149 1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.686 -12.815 3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.067 -13.908 3.193 1.00 0.00 H new ATOM 928 N GLY A 67 11.579 -8.374 4.036 1.00 0.00 N ATOM 929 CA GLY A 67 12.996 -8.082 3.926 1.00 0.00 C ATOM 930 C GLY A 67 13.601 -7.640 5.244 1.00 0.00 C ATOM 931 O GLY A 67 14.359 -6.671 5.293 1.00 0.00 O ATOM 0 H GLY A 67 11.273 -8.670 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.520 -8.969 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.146 -7.301 3.181 1.00 0.00 H new ATOM 935 N ASP A 68 13.267 -8.352 6.316 1.00 0.00 N ATOM 936 CA ASP A 68 13.783 -8.028 7.640 1.00 0.00 C ATOM 937 C ASP A 68 14.037 -9.296 8.451 1.00 0.00 C ATOM 938 O ASP A 68 13.111 -10.053 8.743 1.00 0.00 O ATOM 939 CB ASP A 68 12.803 -7.121 8.386 1.00 0.00 C ATOM 940 CG ASP A 68 12.778 -5.712 7.825 1.00 0.00 C ATOM 941 OD1 ASP A 68 13.852 -5.213 7.430 1.00 0.00 O ATOM 942 OD2 ASP A 68 11.686 -5.109 7.782 1.00 0.00 O ATOM 0 H ASP A 68 12.641 -9.157 6.293 1.00 0.00 H new ATOM 0 HA ASP A 68 14.729 -7.502 7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.802 -7.549 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.076 -7.085 9.441 1.00 0.00 H new ATOM 947 N TYR A 69 15.296 -9.521 8.808 1.00 0.00 N ATOM 948 CA TYR A 69 15.672 -10.698 9.585 1.00 0.00 C ATOM 949 C TYR A 69 15.723 -10.386 11.080 1.00 0.00 C ATOM 950 O TYR A 69 15.954 -11.276 11.898 1.00 0.00 O ATOM 951 CB TYR A 69 17.029 -11.229 9.115 1.00 0.00 C ATOM 952 CG TYR A 69 17.042 -12.721 8.867 1.00 0.00 C ATOM 953 CD1 TYR A 69 16.359 -13.271 7.789 1.00 0.00 C ATOM 954 CD2 TYR A 69 17.738 -13.578 9.710 1.00 0.00 C ATOM 955 CE1 TYR A 69 16.370 -14.633 7.558 1.00 0.00 C ATOM 956 CE2 TYR A 69 17.753 -14.942 9.486 1.00 0.00 C ATOM 957 CZ TYR A 69 17.068 -15.464 8.410 1.00 0.00 C ATOM 958 OH TYR A 69 17.080 -16.822 8.183 1.00 0.00 O ATOM 0 H TYR A 69 16.074 -8.905 8.572 1.00 0.00 H new ATOM 0 HA TYR A 69 14.911 -11.461 9.425 1.00 0.00 H new ATOM 0 HB2 TYR A 69 17.313 -10.714 8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 69 17.784 -10.987 9.863 1.00 0.00 H new ATOM 0 HD1 TYR A 69 15.811 -12.623 7.121 1.00 0.00 H new ATOM 0 HD2 TYR A 69 18.276 -13.172 10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 69 15.835 -15.045 6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 69 18.299 -15.595 10.151 1.00 0.00 H new ATOM 0 HH TYR A 69 17.618 -17.264 8.873 1.00 0.00 H new ATOM 968 N TYR A 70 15.507 -9.122 11.435 1.00 0.00 N ATOM 969 CA TYR A 70 15.530 -8.707 12.833 1.00 0.00 C ATOM 970 C TYR A 70 14.519 -7.594 13.087 1.00 0.00 C ATOM 971 O TYR A 70 14.619 -6.510 12.511 1.00 0.00 O ATOM 972 CB TYR A 70 16.933 -8.238 13.224 1.00 0.00 C ATOM 973 CG TYR A 70 17.508 -7.199 12.288 1.00 0.00 C ATOM 974 CD1 TYR A 70 18.042 -7.563 11.058 1.00 0.00 C ATOM 975 CD2 TYR A 70 17.516 -5.854 12.635 1.00 0.00 C ATOM 976 CE1 TYR A 70 18.568 -6.616 10.201 1.00 0.00 C ATOM 977 CE2 TYR A 70 18.041 -4.901 11.783 1.00 0.00 C ATOM 978 CZ TYR A 70 18.565 -5.287 10.568 1.00 0.00 C ATOM 979 OH TYR A 70 19.088 -4.340 9.716 1.00 0.00 O ATOM 0 H TYR A 70 15.314 -8.369 10.774 1.00 0.00 H new ATOM 0 HA TYR A 70 15.258 -9.566 13.446 1.00 0.00 H new ATOM 0 HB2 TYR A 70 16.901 -7.828 14.233 1.00 0.00 H new ATOM 0 HB3 TYR A 70 17.600 -9.099 13.251 1.00 0.00 H new ATOM 0 HD1 TYR A 70 18.046 -8.603 10.767 1.00 0.00 H new ATOM 0 HD2 TYR A 70 17.105 -5.548 13.586 1.00 0.00 H new ATOM 0 HE1 TYR A 70 18.980 -6.915 9.248 1.00 0.00 H new ATOM 0 HE2 TYR A 70 18.041 -3.859 12.068 1.00 0.00 H new ATOM 0 HH TYR A 70 19.008 -3.453 10.124 1.00 0.00 H new ATOM 989 N GLY A 71 13.549 -7.867 13.952 1.00 0.00 N ATOM 990 CA GLY A 71 12.535 -6.878 14.265 1.00 0.00 C ATOM 991 C GLY A 71 11.449 -6.804 13.209 1.00 0.00 C ATOM 992 O GLY A 71 10.933 -7.831 12.768 1.00 0.00 O ATOM 0 H GLY A 71 13.447 -8.756 14.442 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.085 -7.117 15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.005 -5.900 14.367 1.00 0.00 H new ATOM 996 N ASP A 72 11.104 -5.586 12.802 1.00 0.00 N ATOM 997 CA ASP A 72 10.074 -5.379 11.791 1.00 0.00 C ATOM 998 C ASP A 72 9.863 -3.892 11.533 1.00 0.00 C ATOM 999 O ASP A 72 8.772 -3.361 11.737 1.00 0.00 O ATOM 1000 CB ASP A 72 8.758 -6.029 12.227 1.00 0.00 C ATOM 1001 CG ASP A 72 8.342 -5.613 13.624 1.00 0.00 C ATOM 1002 OD1 ASP A 72 8.907 -6.154 14.597 1.00 0.00 O ATOM 1003 OD2 ASP A 72 7.453 -4.745 13.745 1.00 0.00 O ATOM 0 H ASP A 72 11.524 -4.727 13.158 1.00 0.00 H new ATOM 0 HA ASP A 72 10.408 -5.848 10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.972 -5.760 11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.862 -7.113 12.190 1.00 0.00 H new ATOM 1008 N LEU A 73 10.920 -3.227 11.082 1.00 0.00 N ATOM 1009 CA LEU A 73 10.861 -1.800 10.793 1.00 0.00 C ATOM 1010 C LEU A 73 12.041 -1.372 9.924 1.00 0.00 C ATOM 1011 O LEU A 73 13.044 -0.867 10.429 1.00 0.00 O ATOM 1012 CB LEU A 73 10.846 -0.996 12.095 1.00 0.00 C ATOM 1013 CG LEU A 73 9.479 -0.438 12.497 1.00 0.00 C ATOM 1014 CD1 LEU A 73 9.240 -0.623 13.987 1.00 0.00 C ATOM 1015 CD2 LEU A 73 9.371 1.032 12.117 1.00 0.00 C ATOM 0 H LEU A 73 11.830 -3.654 10.908 1.00 0.00 H new ATOM 0 HA LEU A 73 9.941 -1.601 10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.213 -1.632 12.901 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.546 -0.166 12.000 1.00 0.00 H new ATOM 0 HG LEU A 73 8.711 -0.992 11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.263 -0.219 14.252 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.273 -1.685 14.232 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.013 -0.098 14.548 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.393 1.413 12.410 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.149 1.598 12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.494 1.139 11.039 1.00 0.00 H new ATOM 1027 N ALA A 74 11.913 -1.575 8.616 1.00 0.00 N ATOM 1028 CA ALA A 74 12.962 -1.211 7.674 1.00 0.00 C ATOM 1029 C ALA A 74 12.620 -1.679 6.264 1.00 0.00 C ATOM 1030 O ALA A 74 13.157 -2.677 5.783 1.00 0.00 O ATOM 1031 CB ALA A 74 14.302 -1.788 8.112 1.00 0.00 C ATOM 0 H ALA A 74 11.088 -1.992 8.185 1.00 0.00 H new ATOM 0 HA ALA A 74 13.038 -0.124 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.072 -1.504 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.562 -1.398 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.232 -2.875 8.159 1.00 0.00 H new ATOM 1037 N ALA A 75 11.723 -0.952 5.605 1.00 0.00 N ATOM 1038 CA ALA A 75 11.309 -1.293 4.250 1.00 0.00 C ATOM 1039 C ALA A 75 10.655 -0.102 3.559 1.00 0.00 C ATOM 1040 O ALA A 75 10.029 0.736 4.207 1.00 0.00 O ATOM 1041 CB ALA A 75 10.357 -2.480 4.272 1.00 0.00 C ATOM 0 H ALA A 75 11.269 -0.123 5.988 1.00 0.00 H new ATOM 0 HA ALA A 75 12.199 -1.565 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.056 -2.724 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.857 -3.340 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.475 -2.228 4.861 1.00 0.00 H new ATOM 1047 N ARG A 76 10.806 -0.033 2.241 1.00 0.00 N ATOM 1048 CA ARG A 76 10.229 1.056 1.462 1.00 0.00 C ATOM 1049 C ARG A 76 8.781 0.754 1.090 1.00 0.00 C ATOM 1050 O ARG A 76 8.515 -0.030 0.179 1.00 0.00 O ATOM 1051 CB ARG A 76 11.053 1.297 0.195 1.00 0.00 C ATOM 1052 CG ARG A 76 12.470 1.773 0.473 1.00 0.00 C ATOM 1053 CD ARG A 76 12.962 2.721 -0.610 1.00 0.00 C ATOM 1054 NE ARG A 76 13.180 2.033 -1.880 1.00 0.00 N ATOM 1055 CZ ARG A 76 14.262 1.306 -2.153 1.00 0.00 C ATOM 1056 NH1 ARG A 76 15.223 1.168 -1.250 1.00 0.00 N ATOM 1057 NH2 ARG A 76 14.381 0.714 -3.335 1.00 0.00 N ATOM 0 H ARG A 76 11.323 -0.718 1.690 1.00 0.00 H new ATOM 0 HA ARG A 76 10.246 1.956 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.095 0.373 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.545 2.037 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.503 2.275 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.138 0.914 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.234 3.520 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.892 3.190 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 76 12.462 2.114 -2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.136 1.620 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.049 0.610 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.644 0.816 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.209 0.157 -3.545 1.00 0.00 H new ATOM 1071 N LEU A 77 7.850 1.381 1.800 1.00 0.00 N ATOM 1072 CA LEU A 77 6.428 1.179 1.545 1.00 0.00 C ATOM 1073 C LEU A 77 6.061 1.631 0.134 1.00 0.00 C ATOM 1074 O LEU A 77 6.240 2.796 -0.222 1.00 0.00 O ATOM 1075 CB LEU A 77 5.591 1.943 2.575 1.00 0.00 C ATOM 1076 CG LEU A 77 4.420 1.160 3.168 1.00 0.00 C ATOM 1077 CD1 LEU A 77 4.189 1.560 4.618 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.160 1.383 2.345 1.00 0.00 C ATOM 0 H LEU A 77 8.054 2.034 2.557 1.00 0.00 H new ATOM 0 HA LEU A 77 6.214 0.114 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.244 2.260 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.203 2.847 2.106 1.00 0.00 H new ATOM 0 HG LEU A 77 4.666 0.099 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.351 0.992 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.086 1.350 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.964 2.625 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.336 0.818 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.911 2.444 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.329 1.047 1.322 1.00 0.00 H new ATOM 1090 N GLY A 78 5.547 0.702 -0.667 1.00 0.00 N ATOM 1091 CA GLY A 78 5.166 1.025 -2.029 1.00 0.00 C ATOM 1092 C GLY A 78 3.663 1.004 -2.233 1.00 0.00 C ATOM 1093 O GLY A 78 2.903 0.820 -1.283 1.00 0.00 O ATOM 0 H GLY A 78 5.388 -0.268 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.550 2.012 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.632 0.314 -2.711 1.00 0.00 H new ATOM 1097 N TYR A 79 3.235 1.193 -3.478 1.00 0.00 N ATOM 1098 CA TYR A 79 1.814 1.195 -3.806 1.00 0.00 C ATOM 1099 C TYR A 79 1.540 0.344 -5.043 1.00 0.00 C ATOM 1100 O TYR A 79 2.028 0.642 -6.134 1.00 0.00 O ATOM 1101 CB TYR A 79 1.324 2.627 -4.035 1.00 0.00 C ATOM 1102 CG TYR A 79 0.404 3.132 -2.946 1.00 0.00 C ATOM 1103 CD1 TYR A 79 0.907 3.553 -1.723 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.971 3.187 -3.144 1.00 0.00 C ATOM 1105 CE1 TYR A 79 0.069 4.015 -0.725 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -1.816 3.647 -2.152 1.00 0.00 C ATOM 1107 CZ TYR A 79 -1.291 4.060 -0.945 1.00 0.00 C ATOM 1108 OH TYR A 79 -2.130 4.517 0.045 1.00 0.00 O ATOM 0 H TYR A 79 3.852 1.347 -4.276 1.00 0.00 H new ATOM 0 HA TYR A 79 1.271 0.764 -2.965 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.186 3.290 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.803 2.676 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.972 3.519 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.385 2.865 -4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.477 4.339 0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.882 3.683 -2.321 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.658 5.177 0.595 1.00 0.00 H new ATOM 1118 N PHE A 80 0.758 -0.716 -4.867 1.00 0.00 N ATOM 1119 CA PHE A 80 0.420 -1.610 -5.969 1.00 0.00 C ATOM 1120 C PHE A 80 -0.848 -2.403 -5.658 1.00 0.00 C ATOM 1121 O PHE A 80 -1.192 -2.606 -4.494 1.00 0.00 O ATOM 1122 CB PHE A 80 1.579 -2.567 -6.247 1.00 0.00 C ATOM 1123 CG PHE A 80 2.017 -3.344 -5.039 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.300 -4.450 -4.612 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.147 -2.969 -4.330 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.699 -5.166 -3.501 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.552 -3.682 -3.217 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.827 -4.782 -2.802 1.00 0.00 C ATOM 0 H PHE A 80 0.346 -0.977 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 80 0.238 -1.003 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.284 -3.265 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.426 -1.998 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.418 -4.756 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.718 -2.110 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.130 -6.025 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.434 -3.379 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.141 -5.341 -1.933 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.560 -2.867 -6.700 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.793 -3.644 -6.530 1.00 0.00 C ATOM 1140 C PRO A 81 -2.561 -4.926 -5.738 1.00 0.00 C ATOM 1141 O PRO A 81 -1.621 -5.674 -6.008 1.00 0.00 O ATOM 1142 CB PRO A 81 -3.224 -3.973 -7.966 1.00 0.00 C ATOM 1143 CG PRO A 81 -2.009 -3.757 -8.802 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.223 -2.676 -8.120 1.00 0.00 C ATOM 0 HA PRO A 81 -3.544 -3.089 -5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.577 -5.001 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.042 -3.329 -8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.424 -4.673 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.280 -3.462 -9.815 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.153 -2.781 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.509 -1.685 -8.473 1.00 0.00 H new ATOM 1152 N SER A 82 -3.423 -5.172 -4.758 1.00 0.00 N ATOM 1153 CA SER A 82 -3.313 -6.363 -3.923 1.00 0.00 C ATOM 1154 C SER A 82 -3.414 -7.634 -4.762 1.00 0.00 C ATOM 1155 O SER A 82 -2.916 -8.688 -4.370 1.00 0.00 O ATOM 1156 CB SER A 82 -4.402 -6.360 -2.848 1.00 0.00 C ATOM 1157 OG SER A 82 -3.950 -6.989 -1.662 1.00 0.00 O ATOM 0 H SER A 82 -4.206 -4.563 -4.522 1.00 0.00 H new ATOM 0 HA SER A 82 -2.335 -6.347 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.698 -5.334 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.287 -6.875 -3.221 1.00 0.00 H new ATOM 0 HG SER A 82 -4.136 -6.410 -0.893 1.00 0.00 H new ATOM 1163 N SER A 83 -4.065 -7.529 -5.918 1.00 0.00 N ATOM 1164 CA SER A 83 -4.234 -8.670 -6.812 1.00 0.00 C ATOM 1165 C SER A 83 -2.913 -9.403 -7.031 1.00 0.00 C ATOM 1166 O SER A 83 -2.890 -10.619 -7.223 1.00 0.00 O ATOM 1167 CB SER A 83 -4.804 -8.211 -8.156 1.00 0.00 C ATOM 1168 OG SER A 83 -6.159 -7.816 -8.027 1.00 0.00 O ATOM 0 H SER A 83 -4.485 -6.663 -6.257 1.00 0.00 H new ATOM 0 HA SER A 83 -4.933 -9.361 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.214 -7.378 -8.539 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.725 -9.019 -8.883 1.00 0.00 H new ATOM 0 HG SER A 83 -6.499 -7.526 -8.899 1.00 0.00 H new ATOM 1174 N ILE A 84 -1.813 -8.656 -7.001 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.494 -9.228 -7.194 1.00 0.00 C ATOM 1176 C ILE A 84 -0.117 -10.145 -6.035 1.00 0.00 C ATOM 1177 O ILE A 84 0.492 -11.196 -6.232 1.00 0.00 O ATOM 1178 CB ILE A 84 0.567 -8.121 -7.329 1.00 0.00 C ATOM 1179 CG1 ILE A 84 0.151 -7.104 -8.394 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.911 -8.727 -7.672 1.00 0.00 C ATOM 1181 CD1 ILE A 84 0.732 -5.726 -8.170 1.00 0.00 C ATOM 0 H ILE A 84 -1.815 -7.648 -6.844 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.525 -9.813 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 84 0.651 -7.601 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.463 -7.467 -9.373 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.937 -7.033 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.654 -7.935 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.212 -9.416 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.836 -9.267 -8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.396 -5.056 -8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.399 -5.343 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.820 -5.784 -8.181 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.484 -9.736 -4.827 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.187 -10.515 -3.630 1.00 0.00 C ATOM 1195 C VAL A 85 -1.420 -11.270 -3.145 1.00 0.00 C ATOM 1196 O VAL A 85 -2.490 -11.190 -3.749 1.00 0.00 O ATOM 1197 CB VAL A 85 0.327 -9.615 -2.490 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.671 -9.003 -2.854 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.691 -8.532 -2.166 1.00 0.00 C ATOM 0 H VAL A 85 -0.989 -8.868 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 85 0.590 -11.229 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 85 0.465 -10.230 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.017 -8.371 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.397 -9.797 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.564 -8.402 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.311 -7.906 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.864 -7.919 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.628 -8.994 -1.856 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.261 -12.001 -2.047 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.354 -12.772 -1.467 1.00 0.00 C ATOM 1211 C ARG A 86 -2.346 -12.643 0.050 1.00 0.00 C ATOM 1212 O ARG A 86 -1.508 -13.235 0.730 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.239 -14.244 -1.869 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.569 -14.979 -1.872 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.866 -15.605 -0.517 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.090 -17.045 -0.617 1.00 0.00 N ATOM 1217 CZ ARG A 86 -5.232 -17.591 -1.032 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -6.254 -16.820 -1.385 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -5.352 -18.909 -1.094 1.00 0.00 N ATOM 0 H ARG A 86 -0.380 -12.076 -1.538 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.296 -12.377 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.796 -14.307 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.557 -14.747 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.368 -14.286 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.555 -15.755 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.034 -15.414 0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.746 -15.130 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.327 -17.669 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.167 -15.805 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.126 -17.243 -1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.570 -19.506 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.226 -19.327 -1.412 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.279 -11.858 0.577 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.373 -11.643 2.015 1.00 0.00 C ATOM 1235 C GLU A 87 -3.788 -12.918 2.740 1.00 0.00 C ATOM 1236 O GLU A 87 -4.775 -13.558 2.381 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.369 -10.520 2.318 1.00 0.00 C ATOM 1238 CG GLU A 87 -3.747 -9.329 3.027 1.00 0.00 C ATOM 1239 CD GLU A 87 -4.621 -8.091 2.960 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.858 -8.233 3.041 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -4.066 -6.980 2.827 1.00 0.00 O ATOM 0 H GLU A 87 -3.981 -11.360 0.029 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.386 -11.355 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.818 -10.182 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.176 -10.918 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.566 -9.586 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.777 -9.110 2.580 1.00 0.00 H new ATOM 1248 N ASP A 88 -3.026 -13.273 3.769 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.311 -14.464 4.559 1.00 0.00 C ATOM 1250 C ASP A 88 -3.501 -14.099 6.021 1.00 0.00 C ATOM 1251 O ASP A 88 -4.469 -14.512 6.662 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.181 -15.485 4.415 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.690 -16.913 4.401 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.064 -17.400 3.313 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.714 -17.545 5.478 1.00 0.00 O ATOM 0 H ASP A 88 -2.205 -12.751 4.075 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.234 -14.909 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.633 -15.289 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.476 -15.361 5.237 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.568 -13.319 6.536 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.601 -12.878 7.914 1.00 0.00 C ATOM 1262 C GLN A 89 -3.099 -11.441 7.997 1.00 0.00 C ATOM 1263 O GLN A 89 -2.939 -10.668 7.054 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.197 -12.979 8.487 1.00 0.00 C ATOM 1265 CG GLN A 89 -1.143 -12.938 10.006 1.00 0.00 C ATOM 1266 CD GLN A 89 -1.003 -14.317 10.622 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -1.761 -15.232 10.300 1.00 0.00 O ATOM 1268 NE2 GLN A 89 -0.031 -14.471 11.513 1.00 0.00 N ATOM 0 H GLN A 89 -1.766 -12.974 6.008 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.282 -13.507 8.487 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.741 -13.907 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.594 -12.162 8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.304 -12.317 10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.049 -12.465 10.385 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.574 -13.684 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.111 -15.376 11.961 1.00 0.00 H new ATOM 1277 N THR A 90 -3.706 -11.083 9.122 1.00 0.00 N ATOM 1278 CA THR A 90 -4.220 -9.732 9.303 1.00 0.00 C ATOM 1279 C THR A 90 -3.925 -9.199 10.695 1.00 0.00 C ATOM 1280 O THR A 90 -3.846 -9.956 11.664 1.00 0.00 O ATOM 1281 CB THR A 90 -5.720 -9.673 9.040 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.365 -10.842 9.514 1.00 0.00 O ATOM 1283 CG2 THR A 90 -6.066 -9.513 7.576 1.00 0.00 C ATOM 0 H THR A 90 -3.853 -11.705 9.917 1.00 0.00 H new ATOM 0 HA THR A 90 -3.707 -9.101 8.577 1.00 0.00 H new ATOM 0 HB THR A 90 -6.069 -8.791 9.576 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.327 -10.780 9.336 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.149 -9.478 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.631 -8.588 7.198 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.668 -10.358 7.014 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.766 -7.885 10.782 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.481 -7.226 12.046 1.00 0.00 C ATOM 1293 C LEU A 91 -3.958 -5.777 12.019 1.00 0.00 C ATOM 1294 O LEU A 91 -3.274 -4.881 12.513 1.00 0.00 O ATOM 1295 CB LEU A 91 -1.981 -7.279 12.340 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.608 -7.224 13.822 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.387 -8.086 14.099 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.360 -5.786 14.255 1.00 0.00 C ATOM 0 H LEU A 91 -3.831 -7.252 9.985 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.018 -7.751 12.836 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.575 -8.196 11.913 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.497 -6.447 11.828 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.442 -7.619 14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.137 -8.034 15.159 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.602 -9.120 13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.455 -7.724 13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.096 -5.765 15.312 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.543 -5.365 13.668 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.263 -5.197 14.095 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.131 -5.554 11.431 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.695 -4.208 11.336 1.00 0.00 C ATOM 1312 C LYS A 92 -6.618 -3.909 12.517 1.00 0.00 C ATOM 1313 O LYS A 92 -7.732 -4.429 12.589 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.474 -4.044 10.028 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.362 -5.232 9.690 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.725 -4.785 9.186 1.00 0.00 C ATOM 1317 CE LYS A 92 -9.776 -5.867 9.381 1.00 0.00 C ATOM 1318 NZ LYS A 92 -10.360 -6.314 8.086 1.00 0.00 N ATOM 0 H LYS A 92 -5.708 -6.284 11.014 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.864 -3.502 11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.091 -3.148 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.768 -3.886 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.876 -5.846 8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.487 -5.857 10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.030 -3.881 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.657 -4.529 8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.328 -6.720 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.570 -5.490 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.072 -7.052 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.810 -5.506 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.607 -6.697 7.480 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.175 -3.057 13.462 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.976 -2.691 14.627 1.00 0.00 C ATOM 1334 C PRO A 93 -7.963 -1.571 14.313 1.00 0.00 C ATOM 1335 O PRO A 93 -9.023 -1.470 14.931 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.923 -2.216 15.622 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.852 -1.618 14.773 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.865 -2.376 13.467 1.00 0.00 C ATOM 0 HA PRO A 93 -7.590 -3.515 14.991 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.335 -1.484 16.317 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.540 -3.043 16.220 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.036 -0.557 14.607 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.880 -1.701 15.260 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.761 -1.704 12.615 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.044 -3.090 13.412 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.604 -0.733 13.345 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.464 0.371 12.956 1.00 0.00 C ATOM 1348 C GLY A 94 -8.737 0.392 11.463 1.00 0.00 C ATOM 1349 O GLY A 94 -8.138 -0.370 10.707 1.00 0.00 O ATOM 0 H GLY A 94 -6.731 -0.799 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.409 0.299 13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.999 1.312 13.251 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.640 1.268 11.039 1.00 0.00 N ATOM 1354 CA LYS A 95 -9.983 1.393 9.638 1.00 0.00 C ATOM 1355 C LYS A 95 -10.448 2.811 9.328 1.00 0.00 C ATOM 1356 O LYS A 95 -11.504 3.014 8.728 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.063 0.380 9.252 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.302 0.450 10.129 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.262 -0.691 9.830 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.537 -0.574 10.649 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.481 -1.691 10.371 1.00 0.00 N ATOM 0 H LYS A 95 -10.148 1.904 11.654 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.091 1.183 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.352 0.547 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.644 -0.625 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.009 0.415 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.807 1.403 9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.509 -0.692 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.776 -1.643 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.287 -0.566 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.024 0.376 10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.337 -1.574 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.740 -1.684 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.026 -2.596 10.605 1.00 0.00 H new ATOM 1375 N VAL A 96 -9.659 3.790 9.750 1.00 0.00 N ATOM 1376 CA VAL A 96 -9.992 5.189 9.531 1.00 0.00 C ATOM 1377 C VAL A 96 -9.558 5.644 8.148 1.00 0.00 C ATOM 1378 O VAL A 96 -8.479 5.291 7.674 1.00 0.00 O ATOM 1379 CB VAL A 96 -9.339 6.104 10.584 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -9.977 7.484 10.558 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -9.442 5.487 11.971 1.00 0.00 C ATOM 0 H VAL A 96 -8.781 3.639 10.247 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.076 5.268 9.619 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.282 6.211 10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.504 8.118 11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.844 7.928 9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.041 7.397 10.776 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.975 6.149 12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.491 5.346 12.230 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.934 4.523 11.979 1.00 0.00 H new ATOM 1391 N ASP A 97 -10.408 6.431 7.508 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.124 6.942 6.177 1.00 0.00 C ATOM 1393 C ASP A 97 -9.162 8.121 6.244 1.00 0.00 C ATOM 1394 O ASP A 97 -9.302 9.009 7.086 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.420 7.361 5.480 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.197 7.753 4.032 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.915 6.856 3.210 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.304 8.957 3.721 1.00 0.00 O ATOM 0 H ASP A 97 -11.304 6.731 7.891 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.654 6.145 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.136 6.540 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.863 8.200 6.017 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.186 8.116 5.350 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.188 9.175 5.293 1.00 0.00 C ATOM 1405 C VAL A 98 -7.065 9.735 3.881 1.00 0.00 C ATOM 1406 O VAL A 98 -6.471 9.109 3.003 1.00 0.00 O ATOM 1407 CB VAL A 98 -5.809 8.664 5.752 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -4.829 9.819 5.894 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -5.935 7.898 7.059 1.00 0.00 C ATOM 0 H VAL A 98 -8.063 7.385 4.649 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.520 9.965 5.967 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.422 7.984 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.861 9.437 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.717 10.321 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.206 10.527 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.952 7.544 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.344 8.554 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.600 7.046 6.919 1.00 0.00 H new ATOM 1419 N LYS A 99 -7.633 10.916 3.667 1.00 0.00 N ATOM 1420 CA LYS A 99 -7.589 11.557 2.358 1.00 0.00 C ATOM 1421 C LYS A 99 -6.171 12.008 2.020 1.00 0.00 C ATOM 1422 O LYS A 99 -5.644 12.942 2.624 1.00 0.00 O ATOM 1423 CB LYS A 99 -8.542 12.754 2.320 1.00 0.00 C ATOM 1424 CG LYS A 99 -9.367 12.834 1.046 1.00 0.00 C ATOM 1425 CD LYS A 99 -9.767 14.266 0.729 1.00 0.00 C ATOM 1426 CE LYS A 99 -9.661 14.558 -0.760 1.00 0.00 C ATOM 1427 NZ LYS A 99 -8.300 15.029 -1.138 1.00 0.00 N ATOM 0 H LYS A 99 -8.129 11.449 4.382 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.905 10.827 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.215 12.700 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.964 13.672 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.795 12.423 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.262 12.220 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.789 14.442 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.128 14.954 1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.903 13.658 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.396 15.314 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.269 15.217 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.078 15.902 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.601 14.297 -0.899 1.00 0.00 H new ATOM 1441 N THR A 100 -5.558 11.335 1.051 1.00 0.00 N ATOM 1442 CA THR A 100 -4.202 11.663 0.632 1.00 0.00 C ATOM 1443 C THR A 100 -4.193 12.884 -0.284 1.00 0.00 C ATOM 1444 O THR A 100 -5.230 13.277 -0.821 1.00 0.00 O ATOM 1445 CB THR A 100 -3.570 10.464 -0.080 1.00 0.00 C ATOM 1446 OG1 THR A 100 -2.176 10.657 -0.248 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.166 10.190 -1.445 1.00 0.00 C ATOM 0 H THR A 100 -5.980 10.559 0.542 1.00 0.00 H new ATOM 0 HA THR A 100 -3.617 11.901 1.520 1.00 0.00 H new ATOM 0 HB THR A 100 -3.775 9.608 0.563 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.876 10.191 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.671 9.328 -1.892 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.231 9.984 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.025 11.061 -2.085 1.00 0.00 H new ATOM 1455 N ASP A 101 -3.018 13.480 -0.459 1.00 0.00 N ATOM 1456 CA ASP A 101 -2.878 14.655 -1.310 1.00 0.00 C ATOM 1457 C ASP A 101 -1.564 14.613 -2.088 1.00 0.00 C ATOM 1458 O ASP A 101 -1.539 14.231 -3.258 1.00 0.00 O ATOM 1459 CB ASP A 101 -2.952 15.932 -0.470 1.00 0.00 C ATOM 1460 CG ASP A 101 -4.343 16.185 0.077 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -5.181 16.739 -0.666 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -4.596 15.828 1.247 1.00 0.00 O ATOM 0 H ASP A 101 -2.150 13.169 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.700 14.654 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.247 15.860 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.644 16.782 -1.079 1.00 0.00 H new ATOM 1467 N LYS A 102 -0.476 15.011 -1.435 1.00 0.00 N ATOM 1468 CA LYS A 102 0.838 15.021 -2.071 1.00 0.00 C ATOM 1469 C LYS A 102 1.838 14.159 -1.300 1.00 0.00 C ATOM 1470 O LYS A 102 2.822 13.683 -1.866 1.00 0.00 O ATOM 1471 CB LYS A 102 1.362 16.454 -2.180 1.00 0.00 C ATOM 1472 CG LYS A 102 2.058 16.748 -3.500 1.00 0.00 C ATOM 1473 CD LYS A 102 1.093 17.323 -4.525 1.00 0.00 C ATOM 1474 CE LYS A 102 1.590 18.650 -5.078 1.00 0.00 C ATOM 1475 NZ LYS A 102 1.001 18.953 -6.411 1.00 0.00 N ATOM 0 H LYS A 102 -0.478 15.331 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 102 0.727 14.600 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.530 17.147 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.058 16.641 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.874 17.451 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.501 15.832 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.963 16.613 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.114 17.463 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.340 19.450 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.677 18.625 -5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.365 19.865 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.260 18.203 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.035 19.002 -6.330 1.00 0.00 H new ATOM 1489 N TRP A 103 1.585 13.964 -0.008 1.00 0.00 N ATOM 1490 CA TRP A 103 2.468 13.165 0.836 1.00 0.00 C ATOM 1491 C TRP A 103 2.804 11.821 0.198 1.00 0.00 C ATOM 1492 O TRP A 103 3.849 11.233 0.477 1.00 0.00 O ATOM 1493 CB TRP A 103 1.830 12.957 2.198 1.00 0.00 C ATOM 1494 CG TRP A 103 2.327 13.950 3.172 1.00 0.00 C ATOM 1495 CD1 TRP A 103 1.611 14.923 3.784 1.00 0.00 C ATOM 1496 CD2 TRP A 103 3.675 14.094 3.626 1.00 0.00 C ATOM 1497 NE1 TRP A 103 2.427 15.650 4.594 1.00 0.00 N ATOM 1498 CE2 TRP A 103 3.685 15.164 4.520 1.00 0.00 C ATOM 1499 CE3 TRP A 103 4.868 13.418 3.370 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 4.820 15.592 5.165 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 6.018 13.842 4.016 1.00 0.00 C ATOM 1502 CH2 TRP A 103 5.987 14.924 4.909 1.00 0.00 C ATOM 0 H TRP A 103 0.775 14.349 0.477 1.00 0.00 H new ATOM 0 HA TRP A 103 3.404 13.712 0.952 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.746 13.037 2.112 1.00 0.00 H new ATOM 0 HB3 TRP A 103 2.048 11.951 2.556 1.00 0.00 H new ATOM 0 HD1 TRP A 103 0.553 15.095 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.134 16.440 5.169 1.00 0.00 H new ATOM 0 HE3 TRP A 103 4.895 12.584 2.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 4.792 16.426 5.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 6.952 13.332 3.830 1.00 0.00 H new ATOM 0 HH2 TRP A 103 6.897 15.234 5.401 1.00 0.00 H new ATOM 1513 N ASP A 104 1.912 11.342 -0.657 1.00 0.00 N ATOM 1514 CA ASP A 104 2.110 10.068 -1.339 1.00 0.00 C ATOM 1515 C ASP A 104 2.051 10.245 -2.853 1.00 0.00 C ATOM 1516 O ASP A 104 1.110 9.795 -3.506 1.00 0.00 O ATOM 1517 CB ASP A 104 1.054 9.056 -0.887 1.00 0.00 C ATOM 1518 CG ASP A 104 1.542 8.179 0.249 1.00 0.00 C ATOM 1519 OD1 ASP A 104 1.526 8.645 1.408 1.00 0.00 O ATOM 1520 OD2 ASP A 104 1.940 7.026 -0.020 1.00 0.00 O ATOM 0 H ASP A 104 1.041 11.817 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 104 3.099 9.692 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.156 9.588 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.772 8.428 -1.732 1.00 0.00 H new ATOM 1525 N PHE A 105 3.066 10.904 -3.404 1.00 0.00 N ATOM 1526 CA PHE A 105 3.131 11.141 -4.841 1.00 0.00 C ATOM 1527 C PHE A 105 4.475 11.750 -5.232 1.00 0.00 C ATOM 1528 O PHE A 105 4.771 12.895 -4.893 1.00 0.00 O ATOM 1529 CB PHE A 105 1.992 12.062 -5.280 1.00 0.00 C ATOM 1530 CG PHE A 105 1.333 11.635 -6.561 1.00 0.00 C ATOM 1531 CD1 PHE A 105 0.567 10.481 -6.610 1.00 0.00 C ATOM 1532 CD2 PHE A 105 1.481 12.387 -7.716 1.00 0.00 C ATOM 1533 CE1 PHE A 105 -0.039 10.086 -7.786 1.00 0.00 C ATOM 1534 CE2 PHE A 105 0.877 11.996 -8.896 1.00 0.00 C ATOM 1535 CZ PHE A 105 0.116 10.844 -8.930 1.00 0.00 C ATOM 0 H PHE A 105 3.853 11.283 -2.877 1.00 0.00 H new ATOM 0 HA PHE A 105 3.027 10.181 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.242 12.100 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.380 13.074 -5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.443 9.884 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.075 13.289 -7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.634 9.185 -7.811 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.000 12.590 -9.790 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.358 10.536 -9.851 1.00 0.00 H new ATOM 1545 N TYR A 106 5.285 10.974 -5.945 1.00 0.00 N ATOM 1546 CA TYR A 106 6.598 11.436 -6.381 1.00 0.00 C ATOM 1547 C TYR A 106 6.920 10.919 -7.780 1.00 0.00 C ATOM 1548 O TYR A 106 7.353 9.779 -7.946 1.00 0.00 O ATOM 1549 CB TYR A 106 7.675 10.980 -5.395 1.00 0.00 C ATOM 1550 CG TYR A 106 8.691 12.052 -5.067 1.00 0.00 C ATOM 1551 CD1 TYR A 106 9.427 12.668 -6.072 1.00 0.00 C ATOM 1552 CD2 TYR A 106 8.915 12.446 -3.754 1.00 0.00 C ATOM 1553 CE1 TYR A 106 10.357 13.646 -5.776 1.00 0.00 C ATOM 1554 CE2 TYR A 106 9.842 13.424 -3.450 1.00 0.00 C ATOM 1555 CZ TYR A 106 10.560 14.022 -4.465 1.00 0.00 C ATOM 1556 OH TYR A 106 11.485 14.996 -4.167 1.00 0.00 O ATOM 0 H TYR A 106 5.055 10.023 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 106 6.581 12.525 -6.411 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.196 10.652 -4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.193 10.116 -5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.270 12.378 -7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.355 11.980 -2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 106 10.923 14.114 -6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.004 13.719 -2.424 1.00 0.00 H new ATOM 0 HH TYR A 106 11.504 15.143 -3.198 1.00 0.00 H new ATOM 1566 N CYS A 107 6.703 11.763 -8.782 1.00 0.00 N ATOM 1567 CA CYS A 107 6.971 11.391 -10.167 1.00 0.00 C ATOM 1568 C CYS A 107 6.705 12.563 -11.107 1.00 0.00 C ATOM 1569 O CYS A 107 5.555 12.883 -11.407 1.00 0.00 O ATOM 1570 CB CYS A 107 6.109 10.191 -10.569 1.00 0.00 C ATOM 1571 SG CYS A 107 7.063 8.769 -11.195 1.00 0.00 S ATOM 0 H CYS A 107 6.342 12.709 -8.662 1.00 0.00 H new ATOM 0 HA CYS A 107 8.023 11.117 -10.248 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.524 9.872 -9.706 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.401 10.506 -11.335 1.00 0.00 H new ATOM 1576 N GLN A 108 7.778 13.200 -11.568 1.00 0.00 N ATOM 1577 CA GLN A 108 7.660 14.335 -12.474 1.00 0.00 C ATOM 1578 C GLN A 108 7.558 13.868 -13.922 1.00 0.00 C ATOM 1579 O GLN A 108 8.510 13.219 -14.402 1.00 0.00 O ATOM 1580 CB GLN A 108 8.859 15.272 -12.311 1.00 0.00 C ATOM 1581 CG GLN A 108 8.616 16.406 -11.329 1.00 0.00 C ATOM 1582 CD GLN A 108 7.507 17.337 -11.778 1.00 0.00 C ATOM 1583 OE1 GLN A 108 6.430 17.373 -11.182 1.00 0.00 O ATOM 1584 NE2 GLN A 108 7.765 18.098 -12.836 1.00 0.00 N ATOM 1585 OXT GLN A 108 6.526 14.155 -14.565 1.00 0.00 O ATOM 0 H GLN A 108 8.737 12.949 -11.329 1.00 0.00 H new ATOM 0 HA GLN A 108 6.748 14.876 -12.221 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.720 14.692 -11.978 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.115 15.693 -13.283 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.364 15.990 -10.354 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.536 16.977 -11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.671 18.036 -13.300 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.057 18.744 -13.184 1.00 0.00 H new TER 1594 GLN A 108