USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 25 GLN :FLIP amide:sc= -0.0199 F(o=-1.3,f=-0.094) USER MOD Set 1.2: A 27 ASN : amide:sc= -0.0742 K(o=-0.094,f=-1.6) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -0.339 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 11 CYS SG : rot -150:sc= -1.35 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0817 K(o=-0.082,f=-0.99) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 34:sc= 0.0436 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00636 USER MOD Single : A 41 TYR OH : rot 30:sc= -2.33! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 143:sc= -0.161 (180deg=-1.69) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 55 CYS SG : rot 109:sc= -0.246 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 3:sc= 0.699 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.0315 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0.292 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 24:sc= 0.0128 USER MOD Single : A 79 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.2) USER MOD Single : A 82 SER OG : rot -120:sc= -0.0699 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 97 THR OG1 : rot -158:sc= 1.21 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.713 -13.213 1.203 1.00 0.00 N ATOM 67 CA PRO A 8 -10.625 -13.476 0.258 1.00 0.00 C ATOM 68 C PRO A 8 -9.352 -13.943 0.955 1.00 0.00 C ATOM 69 O PRO A 8 -9.315 -14.074 2.178 1.00 0.00 O ATOM 70 CB PRO A 8 -10.402 -12.119 -0.413 1.00 0.00 C ATOM 71 CG PRO A 8 -10.883 -11.121 0.583 1.00 0.00 C ATOM 72 CD PRO A 8 -12.023 -11.778 1.310 1.00 0.00 C ATOM 0 HA PRO A 8 -10.875 -14.275 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.350 -11.964 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.957 -12.044 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.087 -10.845 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.210 -10.205 0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.076 -11.455 2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.983 -11.539 0.852 1.00 0.00 H new ATOM 80 N ASP A 9 -8.309 -14.190 0.170 1.00 0.00 N ATOM 81 CA ASP A 9 -7.033 -14.639 0.713 1.00 0.00 C ATOM 82 C ASP A 9 -6.120 -13.453 1.010 1.00 0.00 C ATOM 83 O ASP A 9 -6.326 -12.356 0.492 1.00 0.00 O ATOM 84 CB ASP A 9 -6.346 -15.594 -0.265 1.00 0.00 C ATOM 85 CG ASP A 9 -5.397 -16.550 0.430 1.00 0.00 C ATOM 86 OD1 ASP A 9 -5.879 -17.535 1.027 1.00 0.00 O ATOM 87 OD2 ASP A 9 -4.172 -16.314 0.377 1.00 0.00 O ATOM 0 H ASP A 9 -8.323 -14.087 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.230 -15.166 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.103 -16.165 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.796 -15.016 -1.007 1.00 0.00 H new ATOM 92 N GLN A 10 -5.112 -13.682 1.846 1.00 0.00 N ATOM 93 CA GLN A 10 -4.171 -12.632 2.212 1.00 0.00 C ATOM 94 C GLN A 10 -3.745 -11.831 0.987 1.00 0.00 C ATOM 95 O GLN A 10 -3.738 -12.345 -0.132 1.00 0.00 O ATOM 96 CB GLN A 10 -2.942 -13.234 2.895 1.00 0.00 C ATOM 97 CG GLN A 10 -2.059 -12.203 3.580 1.00 0.00 C ATOM 98 CD GLN A 10 -0.661 -12.722 3.853 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.404 -13.923 3.769 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.253 -11.815 4.179 1.00 0.00 N ATOM 0 H GLN A 10 -4.927 -14.585 2.282 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.671 -11.958 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.269 -13.967 3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.351 -13.771 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.996 -11.312 2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.521 -11.902 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.004 -10.830 4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.212 -12.104 4.371 1.00 0.00 H new ATOM 109 N CYS A 11 -3.390 -10.569 1.204 1.00 0.00 N ATOM 110 CA CYS A 11 -2.963 -9.696 0.116 1.00 0.00 C ATOM 111 C CYS A 11 -1.442 -9.590 0.067 1.00 0.00 C ATOM 112 O CYS A 11 -0.786 -9.451 1.100 1.00 0.00 O ATOM 113 CB CYS A 11 -3.579 -8.305 0.280 1.00 0.00 C ATOM 114 SG CYS A 11 -5.280 -8.176 -0.318 1.00 0.00 S ATOM 0 H CYS A 11 -3.389 -10.128 2.124 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.308 -10.131 -0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.554 -8.030 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.962 -7.581 -0.252 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.503 -6.964 -0.733 1.00 0.00 H new ATOM 120 N LYS A 12 -0.887 -9.660 -1.137 1.00 0.00 N ATOM 121 CA LYS A 12 0.556 -9.573 -1.322 1.00 0.00 C ATOM 122 C LYS A 12 1.038 -8.133 -1.171 1.00 0.00 C ATOM 123 O LYS A 12 0.300 -7.177 -1.410 1.00 0.00 O ATOM 124 CB LYS A 12 0.948 -10.111 -2.700 1.00 0.00 C ATOM 125 CG LYS A 12 0.881 -11.625 -2.802 1.00 0.00 C ATOM 126 CD LYS A 12 2.011 -12.288 -2.033 1.00 0.00 C ATOM 127 CE LYS A 12 2.145 -13.758 -2.398 1.00 0.00 C ATOM 128 NZ LYS A 12 1.293 -14.624 -1.538 1.00 0.00 N ATOM 0 H LYS A 12 -1.416 -9.777 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 12 1.033 -10.180 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.290 -9.675 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.961 -9.784 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.077 -11.974 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.930 -11.922 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.948 -11.773 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.829 -12.193 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.868 -13.899 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.187 -14.063 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.413 -15.618 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.574 -14.509 -0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.296 -14.351 -1.650 1.00 0.00 H new ATOM 142 N PRO A 13 2.306 -7.972 -0.766 1.00 0.00 N ATOM 143 CA PRO A 13 2.916 -6.652 -0.577 1.00 0.00 C ATOM 144 C PRO A 13 3.141 -5.923 -1.897 1.00 0.00 C ATOM 145 O PRO A 13 3.604 -6.500 -2.881 1.00 0.00 O ATOM 146 CB PRO A 13 4.254 -6.972 0.093 1.00 0.00 C ATOM 147 CG PRO A 13 4.568 -8.365 -0.333 1.00 0.00 C ATOM 148 CD PRO A 13 3.244 -9.066 -0.463 1.00 0.00 C ATOM 0 HA PRO A 13 2.279 -5.989 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.031 -6.277 -0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.181 -6.897 1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.108 -8.371 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.203 -8.863 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.261 -9.812 -1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.972 -9.585 0.456 1.00 0.00 H new ATOM 156 N PRO A 14 2.808 -4.624 -1.920 1.00 0.00 N ATOM 157 CA PRO A 14 2.967 -3.787 -3.114 1.00 0.00 C ATOM 158 C PRO A 14 4.432 -3.519 -3.443 1.00 0.00 C ATOM 159 O PRO A 14 5.312 -3.731 -2.611 1.00 0.00 O ATOM 160 CB PRO A 14 2.257 -2.486 -2.732 1.00 0.00 C ATOM 161 CG PRO A 14 2.323 -2.442 -1.245 1.00 0.00 C ATOM 162 CD PRO A 14 2.252 -3.871 -0.783 1.00 0.00 C ATOM 0 HA PRO A 14 2.559 -4.265 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.750 -1.621 -3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.225 -2.480 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.246 -1.969 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.499 -1.858 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.832 -4.029 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.228 -4.172 -0.564 1.00 0.00 H new ATOM 170 N GLN A 15 4.683 -3.052 -4.662 1.00 0.00 N ATOM 171 CA GLN A 15 6.043 -2.755 -5.099 1.00 0.00 C ATOM 172 C GLN A 15 6.303 -1.252 -5.086 1.00 0.00 C ATOM 173 O GLN A 15 5.770 -0.512 -5.913 1.00 0.00 O ATOM 174 CB GLN A 15 6.282 -3.313 -6.504 1.00 0.00 C ATOM 175 CG GLN A 15 7.726 -3.713 -6.761 1.00 0.00 C ATOM 176 CD GLN A 15 7.853 -4.801 -7.809 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.025 -5.711 -7.879 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.891 -4.714 -8.631 1.00 0.00 N ATOM 0 H GLN A 15 3.965 -2.871 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 15 6.734 -3.231 -4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.641 -4.181 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.984 -2.565 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.290 -2.837 -7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.175 -4.057 -5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.552 -3.943 -8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.027 -5.418 -9.357 1.00 0.00 H new ATOM 187 N VAL A 16 7.124 -0.808 -4.141 1.00 0.00 N ATOM 188 CA VAL A 16 7.456 0.607 -4.020 1.00 0.00 C ATOM 189 C VAL A 16 8.541 1.004 -5.013 1.00 0.00 C ATOM 190 O VAL A 16 9.554 0.316 -5.153 1.00 0.00 O ATOM 191 CB VAL A 16 7.928 0.953 -2.594 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.737 1.101 -1.659 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.892 -0.106 -2.082 1.00 0.00 C ATOM 0 H VAL A 16 7.572 -1.407 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 16 6.546 1.165 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 16 8.455 1.907 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.089 1.345 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.088 1.899 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.179 0.165 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.216 0.153 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.393 -1.075 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.760 -0.157 -2.740 1.00 0.00 H new ATOM 203 N THR A 17 8.325 2.120 -5.704 1.00 0.00 N ATOM 204 CA THR A 17 9.285 2.609 -6.686 1.00 0.00 C ATOM 205 C THR A 17 9.608 4.080 -6.453 1.00 0.00 C ATOM 206 O THR A 17 8.910 4.966 -6.950 1.00 0.00 O ATOM 207 CB THR A 17 8.758 2.432 -8.122 1.00 0.00 C ATOM 208 OG1 THR A 17 8.573 1.041 -8.408 1.00 0.00 O ATOM 209 CG2 THR A 17 9.722 3.039 -9.131 1.00 0.00 C ATOM 0 H THR A 17 7.494 2.702 -5.601 1.00 0.00 H new ATOM 0 HA THR A 17 10.192 2.017 -6.564 1.00 0.00 H new ATOM 0 HB THR A 17 7.802 2.949 -8.201 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.236 0.937 -9.322 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.329 2.902 -10.138 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.838 4.104 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.691 2.547 -9.050 1.00 0.00 H new ATOM 217 N CYS A 18 10.668 4.335 -5.695 1.00 0.00 N ATOM 218 CA CYS A 18 11.085 5.701 -5.396 1.00 0.00 C ATOM 219 C CYS A 18 11.299 6.497 -6.679 1.00 0.00 C ATOM 220 O CYS A 18 12.099 6.113 -7.533 1.00 0.00 O ATOM 221 CB CYS A 18 12.368 5.695 -4.564 1.00 0.00 C ATOM 222 SG CYS A 18 13.745 4.816 -5.338 1.00 0.00 S ATOM 0 H CYS A 18 11.255 3.614 -5.276 1.00 0.00 H new ATOM 0 HA CYS A 18 10.292 6.179 -4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.670 6.725 -4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.159 5.240 -3.596 1.00 0.00 H new ATOM 0 HG CYS A 18 13.681 4.959 -6.628 1.00 0.00 H new ATOM 228 N ARG A 19 10.578 7.606 -6.808 1.00 0.00 N ATOM 229 CA ARG A 19 10.688 8.455 -7.989 1.00 0.00 C ATOM 230 C ARG A 19 11.611 9.640 -7.722 1.00 0.00 C ATOM 231 O ARG A 19 12.148 10.244 -8.652 1.00 0.00 O ATOM 232 CB ARG A 19 9.307 8.956 -8.414 1.00 0.00 C ATOM 233 CG ARG A 19 8.376 7.850 -8.884 1.00 0.00 C ATOM 234 CD ARG A 19 8.627 7.495 -10.342 1.00 0.00 C ATOM 235 NE ARG A 19 9.781 6.612 -10.499 1.00 0.00 N ATOM 236 CZ ARG A 19 10.220 6.179 -11.676 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.605 6.546 -12.792 1.00 0.00 N ATOM 238 NH2 ARG A 19 11.276 5.378 -11.737 1.00 0.00 N ATOM 0 H ARG A 19 9.912 7.938 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 19 11.114 7.859 -8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.845 9.477 -7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.425 9.685 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.517 6.965 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.340 8.166 -8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.742 7.012 -10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.788 8.408 -10.915 1.00 0.00 H new ATOM 0 HE ARG A 19 10.276 6.312 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.793 7.162 -12.748 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.944 6.212 -13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.751 5.094 -10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.613 5.046 -12.641 1.00 0.00 H new ATOM 252 N SER A 20 11.792 9.969 -6.447 1.00 0.00 N ATOM 253 CA SER A 20 12.646 11.085 -6.059 1.00 0.00 C ATOM 254 C SER A 20 12.856 11.108 -4.548 1.00 0.00 C ATOM 255 O SER A 20 12.371 10.234 -3.829 1.00 0.00 O ATOM 256 CB SER A 20 12.033 12.408 -6.520 1.00 0.00 C ATOM 257 OG SER A 20 12.992 13.451 -6.494 1.00 0.00 O ATOM 0 H SER A 20 11.358 9.478 -5.665 1.00 0.00 H new ATOM 0 HA SER A 20 13.615 10.954 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.639 12.297 -7.530 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.192 12.667 -5.876 1.00 0.00 H new ATOM 0 HG SER A 20 12.576 14.286 -6.795 1.00 0.00 H new ATOM 263 N ALA A 21 13.582 12.114 -4.072 1.00 0.00 N ATOM 264 CA ALA A 21 13.855 12.252 -2.647 1.00 0.00 C ATOM 265 C ALA A 21 12.578 12.554 -1.870 1.00 0.00 C ATOM 266 O ALA A 21 12.467 12.227 -0.688 1.00 0.00 O ATOM 267 CB ALA A 21 14.889 13.344 -2.412 1.00 0.00 C ATOM 0 H ALA A 21 13.992 12.846 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 21 14.254 11.304 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.084 13.437 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.814 13.087 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.511 14.292 -2.795 1.00 0.00 H new ATOM 273 N THR A 22 11.616 13.179 -2.542 1.00 0.00 N ATOM 274 CA THR A 22 10.347 13.526 -1.913 1.00 0.00 C ATOM 275 C THR A 22 9.173 12.935 -2.685 1.00 0.00 C ATOM 276 O THR A 22 8.023 13.324 -2.475 1.00 0.00 O ATOM 277 CB THR A 22 10.168 15.052 -1.815 1.00 0.00 C ATOM 278 OG1 THR A 22 9.687 15.570 -3.060 1.00 0.00 O ATOM 279 CG2 THR A 22 11.482 15.729 -1.452 1.00 0.00 C ATOM 0 H THR A 22 11.691 13.455 -3.521 1.00 0.00 H new ATOM 0 HA THR A 22 10.366 13.106 -0.908 1.00 0.00 H new ATOM 0 HB THR A 22 9.441 15.261 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.574 16.541 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.331 16.807 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.831 15.354 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.227 15.512 -2.218 1.00 0.00 H new ATOM 287 N CYS A 23 9.468 11.997 -3.576 1.00 0.00 N ATOM 288 CA CYS A 23 8.435 11.353 -4.380 1.00 0.00 C ATOM 289 C CYS A 23 8.486 9.837 -4.218 1.00 0.00 C ATOM 290 O CYS A 23 9.544 9.266 -3.959 1.00 0.00 O ATOM 291 CB CYS A 23 8.600 11.726 -5.854 1.00 0.00 C ATOM 292 SG CYS A 23 8.550 13.504 -6.176 1.00 0.00 S ATOM 0 H CYS A 23 10.414 11.664 -3.761 1.00 0.00 H new ATOM 0 HA CYS A 23 7.465 11.705 -4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.549 11.329 -6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.812 11.241 -6.431 1.00 0.00 H new ATOM 0 HG CYS A 23 8.700 13.719 -7.449 1.00 0.00 H new ATOM 298 N ALA A 24 7.333 9.193 -4.371 1.00 0.00 N ATOM 299 CA ALA A 24 7.247 7.743 -4.242 1.00 0.00 C ATOM 300 C ALA A 24 6.015 7.201 -4.959 1.00 0.00 C ATOM 301 O ALA A 24 5.054 7.932 -5.200 1.00 0.00 O ATOM 302 CB ALA A 24 7.223 7.344 -2.774 1.00 0.00 C ATOM 0 H ALA A 24 6.447 9.652 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 24 8.130 7.308 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.159 6.259 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.135 7.691 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.358 7.796 -2.288 1.00 0.00 H new ATOM 308 N GLN A 25 6.051 5.916 -5.298 1.00 0.00 N ATOM 309 CA GLN A 25 4.937 5.278 -5.989 1.00 0.00 C ATOM 310 C GLN A 25 4.721 3.858 -5.478 1.00 0.00 C ATOM 311 O GLN A 25 5.678 3.130 -5.212 1.00 0.00 O ATOM 312 CB GLN A 25 5.190 5.257 -7.497 1.00 0.00 C ATOM 313 CG GLN A 25 3.945 4.964 -8.319 1.00 0.00 C ATOM 314 CD GLN A 25 4.264 4.635 -9.764 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.568 3.647 -10.314 1.00 0.00 O flip ATOM 316 NE2 GLN A 25 5.126 5.262 -10.380 1.00 0.00 N flip ATOM 0 H GLN A 25 6.839 5.297 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 25 4.037 5.858 -5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.598 6.221 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.947 4.505 -7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.406 4.129 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.280 5.827 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.637 6.014 -9.918 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.329 5.029 -11.352 1.00 0.00 H new ATOM 325 N VAL A 26 3.458 3.468 -5.342 1.00 0.00 N ATOM 326 CA VAL A 26 3.116 2.133 -4.863 1.00 0.00 C ATOM 327 C VAL A 26 2.285 1.377 -5.893 1.00 0.00 C ATOM 328 O VAL A 26 1.493 1.969 -6.624 1.00 0.00 O ATOM 329 CB VAL A 26 2.336 2.197 -3.536 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.348 0.842 -2.844 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.913 3.273 -2.629 1.00 0.00 C ATOM 0 H VAL A 26 2.654 4.057 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 26 4.055 1.604 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 26 1.301 2.457 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.792 0.906 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.883 0.099 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.377 0.549 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.349 3.304 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.957 3.046 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.846 4.241 -3.125 1.00 0.00 H new ATOM 341 N ASN A 27 2.472 0.061 -5.943 1.00 0.00 N ATOM 342 CA ASN A 27 1.741 -0.779 -6.884 1.00 0.00 C ATOM 343 C ASN A 27 1.340 -2.100 -6.236 1.00 0.00 C ATOM 344 O ASN A 27 2.194 -2.881 -5.816 1.00 0.00 O ATOM 345 CB ASN A 27 2.589 -1.045 -8.130 1.00 0.00 C ATOM 346 CG ASN A 27 2.698 0.174 -9.027 1.00 0.00 C ATOM 347 OD1 ASN A 27 1.693 0.683 -9.524 1.00 0.00 O ATOM 348 ND2 ASN A 27 3.921 0.646 -9.235 1.00 0.00 N ATOM 0 H ASN A 27 3.123 -0.445 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 27 0.835 -0.249 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.587 -1.360 -7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.153 -1.870 -8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.058 1.464 -9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.724 0.190 -8.801 1.00 0.00 H new ATOM 355 N TRP A 28 0.037 -2.345 -6.159 1.00 0.00 N ATOM 356 CA TRP A 28 -0.476 -3.573 -5.563 1.00 0.00 C ATOM 357 C TRP A 28 -1.325 -4.350 -6.563 1.00 0.00 C ATOM 358 O TRP A 28 -1.476 -3.939 -7.713 1.00 0.00 O ATOM 359 CB TRP A 28 -1.303 -3.251 -4.316 1.00 0.00 C ATOM 360 CG TRP A 28 -2.502 -2.400 -4.602 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.751 -2.832 -4.950 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.567 -0.970 -4.566 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.586 -1.757 -5.132 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.885 -0.604 -4.902 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.640 0.036 -4.279 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.296 0.726 -4.961 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -2.049 1.355 -4.338 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.367 1.691 -4.676 1.00 0.00 C ATOM 0 H TRP A 28 -0.684 -1.710 -6.502 1.00 0.00 H new ATOM 0 HA TRP A 28 0.374 -4.192 -5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.630 -4.183 -3.855 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.669 -2.741 -3.590 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.039 -3.867 -5.065 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.570 -1.809 -5.396 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.623 -0.213 -4.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.311 0.987 -5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.341 2.140 -4.120 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.656 2.731 -4.712 1.00 0.00 H new ATOM 379 N GLU A 29 -1.875 -5.475 -6.117 1.00 0.00 N ATOM 380 CA GLU A 29 -2.707 -6.311 -6.975 1.00 0.00 C ATOM 381 C GLU A 29 -3.725 -7.093 -6.151 1.00 0.00 C ATOM 382 O GLU A 29 -3.673 -7.098 -4.921 1.00 0.00 O ATOM 383 CB GLU A 29 -1.838 -7.276 -7.784 1.00 0.00 C ATOM 384 CG GLU A 29 -1.221 -6.648 -9.022 1.00 0.00 C ATOM 385 CD GLU A 29 -2.252 -6.309 -10.080 1.00 0.00 C ATOM 386 OE1 GLU A 29 -2.926 -5.268 -9.939 1.00 0.00 O ATOM 387 OE2 GLU A 29 -2.386 -7.086 -11.048 1.00 0.00 O ATOM 0 H GLU A 29 -1.760 -5.828 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.246 -5.658 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.041 -7.657 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.443 -8.132 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.687 -5.742 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.485 -7.333 -9.444 1.00 0.00 H new ATOM 394 N VAL A 30 -4.652 -7.753 -6.839 1.00 0.00 N ATOM 395 CA VAL A 30 -5.683 -8.540 -6.172 1.00 0.00 C ATOM 396 C VAL A 30 -5.292 -10.012 -6.104 1.00 0.00 C ATOM 397 O VAL A 30 -4.822 -10.601 -7.078 1.00 0.00 O ATOM 398 CB VAL A 30 -7.039 -8.412 -6.891 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.180 -8.735 -5.938 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.202 -7.018 -7.477 1.00 0.00 C ATOM 0 H VAL A 30 -4.710 -7.758 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.778 -8.146 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.066 -9.131 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.131 -8.639 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.069 -9.755 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.159 -8.042 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.166 -6.946 -7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.155 -6.279 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.403 -6.829 -8.193 1.00 0.00 H new ATOM 410 N PRO A 31 -5.493 -10.624 -4.928 1.00 0.00 N ATOM 411 CA PRO A 31 -5.169 -12.036 -4.704 1.00 0.00 C ATOM 412 C PRO A 31 -6.106 -12.972 -5.461 1.00 0.00 C ATOM 413 O PRO A 31 -6.881 -12.535 -6.313 1.00 0.00 O ATOM 414 CB PRO A 31 -5.348 -12.207 -3.193 1.00 0.00 C ATOM 415 CG PRO A 31 -6.317 -11.144 -2.805 1.00 0.00 C ATOM 416 CD PRO A 31 -6.050 -9.984 -3.723 1.00 0.00 C ATOM 0 HA PRO A 31 -4.169 -12.286 -5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.729 -13.199 -2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.401 -12.091 -2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.344 -11.495 -2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.183 -10.855 -1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.962 -9.431 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.348 -9.276 -3.283 1.00 0.00 H new ATOM 424 N LEU A 32 -6.030 -14.260 -5.145 1.00 0.00 N ATOM 425 CA LEU A 32 -6.872 -15.258 -5.795 1.00 0.00 C ATOM 426 C LEU A 32 -8.255 -15.305 -5.153 1.00 0.00 C ATOM 427 O LEU A 32 -8.416 -15.799 -4.037 1.00 0.00 O ATOM 428 CB LEU A 32 -6.214 -16.637 -5.718 1.00 0.00 C ATOM 429 CG LEU A 32 -6.602 -17.628 -6.816 1.00 0.00 C ATOM 430 CD1 LEU A 32 -5.553 -18.722 -6.943 1.00 0.00 C ATOM 431 CD2 LEU A 32 -7.970 -18.229 -6.533 1.00 0.00 C ATOM 0 H LEU A 32 -5.394 -14.638 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.987 -14.975 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.133 -16.503 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.458 -17.081 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.653 -17.090 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.846 -19.418 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.591 -18.276 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.469 -19.257 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.230 -18.932 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.947 -18.752 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.715 -17.435 -6.494 1.00 0.00 H new ATOM 501 N VAL A 38 -13.228 -7.975 -4.641 1.00 0.00 N ATOM 502 CA VAL A 38 -12.770 -6.859 -3.821 1.00 0.00 C ATOM 503 C VAL A 38 -13.448 -5.559 -4.234 1.00 0.00 C ATOM 504 O VAL A 38 -13.290 -5.094 -5.364 1.00 0.00 O ATOM 505 CB VAL A 38 -11.243 -6.682 -3.916 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.772 -5.590 -2.967 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.535 -7.997 -3.622 1.00 0.00 C ATOM 0 HA VAL A 38 -13.038 -7.093 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.992 -6.380 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.691 -5.479 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.254 -4.648 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.034 -5.860 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.457 -7.854 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.791 -8.331 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.850 -8.749 -4.345 1.00 0.00 H new ATOM 517 N THR A 39 -14.205 -4.973 -3.311 1.00 0.00 N ATOM 518 CA THR A 39 -14.908 -3.724 -3.580 1.00 0.00 C ATOM 519 C THR A 39 -13.937 -2.554 -3.667 1.00 0.00 C ATOM 520 O THR A 39 -13.874 -1.863 -4.683 1.00 0.00 O ATOM 521 CB THR A 39 -15.958 -3.427 -2.492 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.375 -3.577 -1.193 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.155 -4.356 -2.626 1.00 0.00 C ATOM 0 H THR A 39 -14.347 -5.343 -2.371 1.00 0.00 H new ATOM 0 HA THR A 39 -15.412 -3.844 -4.539 1.00 0.00 H new ATOM 0 HB THR A 39 -16.299 -2.400 -2.620 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.049 -3.385 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.882 -4.127 -1.847 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.615 -4.218 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.826 -5.390 -2.523 1.00 0.00 H new ATOM 531 N GLU A 40 -13.181 -2.337 -2.595 1.00 0.00 N ATOM 532 CA GLU A 40 -12.213 -1.247 -2.552 1.00 0.00 C ATOM 533 C GLU A 40 -10.898 -1.713 -1.933 1.00 0.00 C ATOM 534 O GLU A 40 -10.776 -2.857 -1.494 1.00 0.00 O ATOM 535 CB GLU A 40 -12.774 -0.067 -1.757 1.00 0.00 C ATOM 536 CG GLU A 40 -12.554 -0.184 -0.258 1.00 0.00 C ATOM 537 CD GLU A 40 -13.619 0.539 0.545 1.00 0.00 C ATOM 538 OE1 GLU A 40 -14.818 0.310 0.284 1.00 0.00 O ATOM 539 OE2 GLU A 40 -13.252 1.333 1.436 1.00 0.00 O ATOM 0 H GLU A 40 -13.220 -2.901 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.020 -0.926 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.311 0.853 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.843 0.017 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.544 -1.237 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.575 0.222 -0.005 1.00 0.00 H new ATOM 546 N TYR A 41 -9.916 -0.818 -1.902 1.00 0.00 N ATOM 547 CA TYR A 41 -8.609 -1.138 -1.340 1.00 0.00 C ATOM 548 C TYR A 41 -8.145 -0.042 -0.385 1.00 0.00 C ATOM 549 O TYR A 41 -7.945 1.104 -0.787 1.00 0.00 O ATOM 550 CB TYR A 41 -7.581 -1.324 -2.458 1.00 0.00 C ATOM 551 CG TYR A 41 -7.958 -2.398 -3.454 1.00 0.00 C ATOM 552 CD1 TYR A 41 -8.826 -2.125 -4.503 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.447 -3.685 -3.344 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.174 -3.103 -5.416 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.788 -4.668 -4.251 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.652 -4.373 -5.286 1.00 0.00 C ATOM 557 OH TYR A 41 -8.995 -5.351 -6.191 1.00 0.00 O ATOM 0 H TYR A 41 -10.000 0.134 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.700 -2.069 -0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.455 -0.379 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.616 -1.573 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.236 -1.131 -4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.771 -3.920 -2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.850 -2.874 -6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.381 -5.663 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.183 -4.940 -7.061 1.00 0.00 H new ATOM 567 N ARG A 42 -7.975 -0.404 0.883 1.00 0.00 N ATOM 568 CA ARG A 42 -7.534 0.546 1.896 1.00 0.00 C ATOM 569 C ARG A 42 -6.018 0.502 2.062 1.00 0.00 C ATOM 570 O ARG A 42 -5.472 -0.448 2.624 1.00 0.00 O ATOM 571 CB ARG A 42 -8.213 0.248 3.234 1.00 0.00 C ATOM 572 CG ARG A 42 -9.543 0.962 3.416 1.00 0.00 C ATOM 573 CD ARG A 42 -10.167 0.642 4.765 1.00 0.00 C ATOM 574 NE ARG A 42 -11.400 1.394 4.989 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.124 1.303 6.098 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.742 0.498 7.080 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.233 2.019 6.230 1.00 0.00 N ATOM 0 H ARG A 42 -8.136 -1.349 1.232 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.816 1.546 1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.373 -0.827 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.542 0.535 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.394 2.038 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.227 0.669 2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.378 -0.426 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.454 0.870 5.558 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.722 2.023 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.889 -0.054 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.301 0.431 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.531 2.641 5.479 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.788 1.947 7.083 1.00 0.00 H new ATOM 591 N LEU A 43 -5.344 1.534 1.568 1.00 0.00 N ATOM 592 CA LEU A 43 -3.890 1.614 1.660 1.00 0.00 C ATOM 593 C LEU A 43 -3.466 2.590 2.752 1.00 0.00 C ATOM 594 O LEU A 43 -3.815 3.769 2.713 1.00 0.00 O ATOM 595 CB LEU A 43 -3.298 2.043 0.318 1.00 0.00 C ATOM 596 CG LEU A 43 -1.789 2.292 0.299 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.034 0.983 0.129 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.422 3.268 -0.809 1.00 0.00 C ATOM 0 H LEU A 43 -5.781 2.328 1.099 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.512 0.625 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.529 1.275 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.801 2.955 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.502 2.733 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.038 1.180 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.272 0.316 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.326 0.514 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.345 3.433 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.724 2.856 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.934 4.216 -0.643 1.00 0.00 H new ATOM 610 N GLU A 44 -2.711 2.090 3.725 1.00 0.00 N ATOM 611 CA GLU A 44 -2.239 2.920 4.828 1.00 0.00 C ATOM 612 C GLU A 44 -0.762 3.264 4.656 1.00 0.00 C ATOM 613 O GLU A 44 0.071 2.382 4.446 1.00 0.00 O ATOM 614 CB GLU A 44 -2.455 2.206 6.163 1.00 0.00 C ATOM 615 CG GLU A 44 -3.911 1.873 6.447 1.00 0.00 C ATOM 616 CD GLU A 44 -4.166 1.573 7.911 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.556 0.620 8.437 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.977 2.294 8.530 1.00 0.00 O ATOM 0 H GLU A 44 -2.413 1.116 3.772 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.814 3.846 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.872 1.285 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.071 2.833 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.538 2.709 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.207 1.013 5.847 1.00 0.00 H new ATOM 625 N TRP A 45 -0.446 4.551 4.745 1.00 0.00 N ATOM 626 CA TRP A 45 0.930 5.012 4.600 1.00 0.00 C ATOM 627 C TRP A 45 1.251 6.097 5.621 1.00 0.00 C ATOM 628 O TRP A 45 0.573 7.120 5.688 1.00 0.00 O ATOM 629 CB TRP A 45 1.164 5.541 3.184 1.00 0.00 C ATOM 630 CG TRP A 45 2.516 6.162 2.998 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.028 7.231 3.675 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.528 5.749 2.072 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.296 7.510 3.226 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.626 6.614 2.244 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.614 4.734 1.117 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.793 6.492 1.494 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.772 4.614 0.373 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.850 5.489 0.565 1.00 0.00 C ATOM 0 H TRP A 45 -1.124 5.294 4.917 1.00 0.00 H new ATOM 0 HA TRP A 45 1.592 4.165 4.779 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.047 4.722 2.474 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.397 6.279 2.948 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.512 7.778 4.450 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.894 8.262 3.568 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.789 4.054 0.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.624 7.166 1.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.848 3.833 -0.369 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.742 5.369 -0.031 1.00 0.00 H new ATOM 649 N GLY A 46 2.293 5.866 6.416 1.00 0.00 N ATOM 650 CA GLY A 46 2.685 6.833 7.423 1.00 0.00 C ATOM 651 C GLY A 46 4.188 6.890 7.618 1.00 0.00 C ATOM 652 O GLY A 46 4.909 5.982 7.207 1.00 0.00 O ATOM 0 H GLY A 46 2.871 5.027 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.321 7.820 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.208 6.580 8.370 1.00 0.00 H new ATOM 656 N GLY A 47 4.662 7.962 8.247 1.00 0.00 N ATOM 657 CA GLY A 47 6.086 8.113 8.483 1.00 0.00 C ATOM 658 C GLY A 47 6.737 6.827 8.949 1.00 0.00 C ATOM 659 O GLY A 47 7.606 6.281 8.269 1.00 0.00 O ATOM 0 H GLY A 47 4.086 8.727 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.569 8.449 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.247 8.889 9.231 1.00 0.00 H new ATOM 663 N VAL A 48 6.318 6.340 10.113 1.00 0.00 N ATOM 664 CA VAL A 48 6.867 5.110 10.669 1.00 0.00 C ATOM 665 C VAL A 48 5.794 4.033 10.786 1.00 0.00 C ATOM 666 O VAL A 48 4.608 4.336 10.918 1.00 0.00 O ATOM 667 CB VAL A 48 7.490 5.350 12.057 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.406 5.428 13.123 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.496 4.259 12.386 1.00 0.00 C ATOM 0 H VAL A 48 5.600 6.779 10.689 1.00 0.00 H new ATOM 0 HA VAL A 48 7.644 4.772 9.983 1.00 0.00 H new ATOM 0 HB VAL A 48 8.017 6.304 12.039 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.865 5.598 14.097 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.728 6.250 12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.848 4.492 13.143 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.926 4.445 13.370 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.996 3.291 12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.289 4.258 11.638 1.00 0.00 H new ATOM 679 N GLU A 49 6.218 2.774 10.737 1.00 0.00 N ATOM 680 CA GLU A 49 5.293 1.652 10.837 1.00 0.00 C ATOM 681 C GLU A 49 4.306 1.861 11.982 1.00 0.00 C ATOM 682 O GLU A 49 3.106 1.633 11.831 1.00 0.00 O ATOM 683 CB GLU A 49 6.061 0.345 11.043 1.00 0.00 C ATOM 684 CG GLU A 49 6.896 0.324 12.312 1.00 0.00 C ATOM 685 CD GLU A 49 6.129 -0.211 13.505 1.00 0.00 C ATOM 686 OE1 GLU A 49 4.883 -0.273 13.430 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.773 -0.568 14.514 1.00 0.00 O ATOM 0 H GLU A 49 7.196 2.506 10.629 1.00 0.00 H new ATOM 0 HA GLU A 49 4.733 1.592 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.352 -0.483 11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.713 0.178 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.782 -0.290 12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.243 1.334 12.531 1.00 0.00 H new ATOM 694 N GLY A 50 4.821 2.296 13.127 1.00 0.00 N ATOM 695 CA GLY A 50 3.973 2.528 14.282 1.00 0.00 C ATOM 696 C GLY A 50 2.857 3.511 13.993 1.00 0.00 C ATOM 697 O GLY A 50 1.770 3.413 14.564 1.00 0.00 O ATOM 0 H GLY A 50 5.811 2.492 13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.543 1.581 14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.580 2.904 15.105 1.00 0.00 H new ATOM 701 N SER A 51 3.123 4.462 13.104 1.00 0.00 N ATOM 702 CA SER A 51 2.134 5.471 12.744 1.00 0.00 C ATOM 703 C SER A 51 1.719 5.329 11.283 1.00 0.00 C ATOM 704 O SER A 51 2.464 5.700 10.376 1.00 0.00 O ATOM 705 CB SER A 51 2.691 6.874 12.993 1.00 0.00 C ATOM 706 OG SER A 51 2.413 7.306 14.314 1.00 0.00 O ATOM 0 H SER A 51 4.016 4.555 12.619 1.00 0.00 H new ATOM 0 HA SER A 51 1.254 5.320 13.370 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.768 6.876 12.825 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.256 7.573 12.279 1.00 0.00 H new ATOM 0 HG SER A 51 2.781 8.204 14.449 1.00 0.00 H new ATOM 712 N MET A 52 0.525 4.788 11.063 1.00 0.00 N ATOM 713 CA MET A 52 0.010 4.597 9.712 1.00 0.00 C ATOM 714 C MET A 52 -1.507 4.749 9.683 1.00 0.00 C ATOM 715 O MET A 52 -2.210 4.217 10.541 1.00 0.00 O ATOM 716 CB MET A 52 0.406 3.217 9.183 1.00 0.00 C ATOM 717 CG MET A 52 1.909 2.992 9.140 1.00 0.00 C ATOM 718 SD MET A 52 2.344 1.258 8.901 1.00 0.00 S ATOM 719 CE MET A 52 2.099 1.088 7.134 1.00 0.00 C ATOM 0 H MET A 52 -0.104 4.474 11.802 1.00 0.00 H new ATOM 0 HA MET A 52 0.447 5.363 9.071 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.050 2.451 9.811 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.001 3.091 8.180 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.339 3.585 8.333 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.353 3.349 10.069 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.861 0.426 6.723 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.112 0.667 6.942 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.175 2.067 6.660 1.00 0.00 H new ATOM 729 N GLN A 53 -2.006 5.480 8.690 1.00 0.00 N ATOM 730 CA GLN A 53 -3.440 5.702 8.551 1.00 0.00 C ATOM 731 C GLN A 53 -3.860 5.642 7.085 1.00 0.00 C ATOM 732 O GLN A 53 -3.017 5.643 6.188 1.00 0.00 O ATOM 733 CB GLN A 53 -3.828 7.055 9.150 1.00 0.00 C ATOM 734 CG GLN A 53 -3.694 7.111 10.664 1.00 0.00 C ATOM 735 CD GLN A 53 -3.693 8.529 11.197 1.00 0.00 C ATOM 736 OE1 GLN A 53 -2.922 9.375 10.743 1.00 0.00 O ATOM 737 NE2 GLN A 53 -4.559 8.798 12.168 1.00 0.00 N ATOM 0 H GLN A 53 -1.438 5.928 7.971 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.959 4.911 9.092 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.202 7.831 8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.858 7.282 8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.515 6.557 11.118 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.771 6.614 10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.180 8.067 12.515 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.603 9.736 12.567 1.00 0.00 H new ATOM 746 N ILE A 54 -5.166 5.590 6.852 1.00 0.00 N ATOM 747 CA ILE A 54 -5.698 5.531 5.496 1.00 0.00 C ATOM 748 C ILE A 54 -5.261 6.743 4.680 1.00 0.00 C ATOM 749 O ILE A 54 -5.731 7.858 4.905 1.00 0.00 O ATOM 750 CB ILE A 54 -7.236 5.454 5.497 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.711 4.300 6.382 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.760 5.292 4.077 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.792 2.976 5.654 1.00 0.00 C ATOM 0 H ILE A 54 -5.876 5.587 7.584 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.298 4.626 5.040 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.631 6.385 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.033 4.199 7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.693 4.544 6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.849 5.239 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.448 6.145 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.359 4.376 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.135 2.203 6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.493 3.060 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.806 2.710 5.272 1.00 0.00 H new ATOM 765 N CYS A 55 -4.360 6.516 3.732 1.00 0.00 N ATOM 766 CA CYS A 55 -3.858 7.589 2.881 1.00 0.00 C ATOM 767 C CYS A 55 -4.649 7.665 1.579 1.00 0.00 C ATOM 768 O CYS A 55 -5.005 8.750 1.119 1.00 0.00 O ATOM 769 CB CYS A 55 -2.374 7.378 2.578 1.00 0.00 C ATOM 770 SG CYS A 55 -1.260 8.154 3.772 1.00 0.00 S ATOM 0 H CYS A 55 -3.962 5.598 3.533 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.981 8.531 3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.169 6.308 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.157 7.772 1.585 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.684 7.235 4.489 1.00 0.00 H new ATOM 776 N TYR A 56 -4.920 6.506 0.989 1.00 0.00 N ATOM 777 CA TYR A 56 -5.665 6.441 -0.263 1.00 0.00 C ATOM 778 C TYR A 56 -6.639 5.266 -0.257 1.00 0.00 C ATOM 779 O TYR A 56 -6.316 4.181 0.230 1.00 0.00 O ATOM 780 CB TYR A 56 -4.706 6.316 -1.446 1.00 0.00 C ATOM 781 CG TYR A 56 -5.379 5.889 -2.730 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.573 4.545 -3.022 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.824 6.830 -3.652 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.188 4.150 -4.195 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.441 6.445 -4.826 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.621 5.103 -5.093 1.00 0.00 C ATOM 787 OH TYR A 56 -7.234 4.713 -6.262 1.00 0.00 O ATOM 0 H TYR A 56 -4.635 5.599 1.358 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.237 7.363 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.213 7.275 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.927 5.595 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.237 3.796 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.685 7.881 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.329 3.100 -4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.781 7.190 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.479 5.506 -6.783 1.00 0.00 H new ATOM 797 N CYS A 57 -7.829 5.490 -0.800 1.00 0.00 N ATOM 798 CA CYS A 57 -8.851 4.451 -0.859 1.00 0.00 C ATOM 799 C CYS A 57 -9.539 4.440 -2.220 1.00 0.00 C ATOM 800 O CYS A 57 -9.860 5.491 -2.773 1.00 0.00 O ATOM 801 CB CYS A 57 -9.885 4.661 0.247 1.00 0.00 C ATOM 802 SG CYS A 57 -11.269 5.723 -0.228 1.00 0.00 S ATOM 0 H CYS A 57 -8.111 6.382 -1.206 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.363 3.488 -0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.275 3.691 0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.389 5.095 1.115 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.142 6.069 -1.475 1.00 0.00 H new ATOM 808 N GLY A 58 -9.761 3.244 -2.756 1.00 0.00 N ATOM 809 CA GLY A 58 -10.408 3.119 -4.050 1.00 0.00 C ATOM 810 C GLY A 58 -10.074 1.812 -4.741 1.00 0.00 C ATOM 811 O GLY A 58 -9.179 1.076 -4.326 1.00 0.00 O ATOM 0 H GLY A 58 -9.505 2.359 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.488 3.193 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.105 3.951 -4.686 1.00 0.00 H new ATOM 815 N PRO A 59 -10.806 1.507 -5.823 1.00 0.00 N ATOM 816 CA PRO A 59 -10.601 0.278 -6.596 1.00 0.00 C ATOM 817 C PRO A 59 -9.286 0.292 -7.368 1.00 0.00 C ATOM 818 O PRO A 59 -8.860 -0.730 -7.906 1.00 0.00 O ATOM 819 CB PRO A 59 -11.789 0.266 -7.562 1.00 0.00 C ATOM 820 CG PRO A 59 -12.177 1.697 -7.705 1.00 0.00 C ATOM 821 CD PRO A 59 -11.889 2.338 -6.376 1.00 0.00 C ATOM 0 HA PRO A 59 -10.545 -0.603 -5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.513 -0.167 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.613 -0.330 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.609 2.178 -8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.232 1.792 -7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.580 3.377 -6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.767 2.336 -5.730 1.00 0.00 H new ATOM 829 N GLY A 60 -8.645 1.455 -7.419 1.00 0.00 N ATOM 830 CA GLY A 60 -7.385 1.579 -8.127 1.00 0.00 C ATOM 831 C GLY A 60 -6.394 0.501 -7.738 1.00 0.00 C ATOM 832 O GLY A 60 -6.579 -0.191 -6.736 1.00 0.00 O ATOM 0 H GLY A 60 -8.977 2.315 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.568 1.530 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.951 2.558 -7.922 1.00 0.00 H new ATOM 836 N LEU A 61 -5.337 0.357 -8.531 1.00 0.00 N ATOM 837 CA LEU A 61 -4.313 -0.647 -8.265 1.00 0.00 C ATOM 838 C LEU A 61 -2.935 -0.002 -8.153 1.00 0.00 C ATOM 839 O LEU A 61 -1.942 -0.677 -7.882 1.00 0.00 O ATOM 840 CB LEU A 61 -4.306 -1.703 -9.371 1.00 0.00 C ATOM 841 CG LEU A 61 -5.561 -2.570 -9.479 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.517 -3.419 -10.741 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.709 -3.451 -8.247 1.00 0.00 C ATOM 0 H LEU A 61 -5.167 0.923 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.548 -1.127 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.153 -1.199 -10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.449 -2.358 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.429 -1.913 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.418 -4.029 -10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.460 -2.770 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.641 -4.067 -10.713 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.607 -4.061 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.838 -4.100 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.788 -2.824 -7.359 1.00 0.00 H new ATOM 855 N SER A 62 -2.883 1.310 -8.363 1.00 0.00 N ATOM 856 CA SER A 62 -1.626 2.047 -8.288 1.00 0.00 C ATOM 857 C SER A 62 -1.856 3.459 -7.760 1.00 0.00 C ATOM 858 O SER A 62 -2.838 4.113 -8.112 1.00 0.00 O ATOM 859 CB SER A 62 -0.963 2.106 -9.665 1.00 0.00 C ATOM 860 OG SER A 62 -1.799 2.753 -10.608 1.00 0.00 O ATOM 0 H SER A 62 -3.696 1.884 -8.586 1.00 0.00 H new ATOM 0 HA SER A 62 -0.966 1.523 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.014 2.637 -9.592 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.738 1.096 -10.007 1.00 0.00 H new ATOM 0 HG SER A 62 -1.351 2.779 -11.479 1.00 0.00 H new ATOM 866 N TYR A 63 -0.943 3.924 -6.915 1.00 0.00 N ATOM 867 CA TYR A 63 -1.046 5.258 -6.336 1.00 0.00 C ATOM 868 C TYR A 63 0.327 5.918 -6.241 1.00 0.00 C ATOM 869 O TYR A 63 1.333 5.249 -6.008 1.00 0.00 O ATOM 870 CB TYR A 63 -1.687 5.187 -4.950 1.00 0.00 C ATOM 871 CG TYR A 63 -1.957 6.543 -4.337 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.890 7.406 -4.897 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.278 6.960 -3.199 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.140 8.647 -4.342 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.522 8.198 -2.636 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.453 9.037 -3.210 1.00 0.00 C ATOM 877 OH TYR A 63 -2.699 10.272 -2.654 1.00 0.00 O ATOM 0 H TYR A 63 -0.123 3.397 -6.616 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.675 5.862 -6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.625 4.636 -5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.034 4.621 -4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.430 7.102 -5.782 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.547 6.306 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.868 9.307 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.986 8.507 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.135 10.392 -1.862 1.00 0.00 H new ATOM 887 N GLU A 64 0.357 7.234 -6.422 1.00 0.00 N ATOM 888 CA GLU A 64 1.605 7.985 -6.357 1.00 0.00 C ATOM 889 C GLU A 64 1.629 8.897 -5.134 1.00 0.00 C ATOM 890 O GLU A 64 0.816 9.816 -5.016 1.00 0.00 O ATOM 891 CB GLU A 64 1.795 8.815 -7.628 1.00 0.00 C ATOM 892 CG GLU A 64 3.232 9.249 -7.864 1.00 0.00 C ATOM 893 CD GLU A 64 3.543 9.466 -9.332 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.630 9.876 -10.078 1.00 0.00 O ATOM 895 OE2 GLU A 64 4.701 9.226 -9.734 1.00 0.00 O ATOM 0 H GLU A 64 -0.468 7.802 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 64 2.424 7.270 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.455 8.234 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.162 9.700 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.424 10.171 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.906 8.493 -7.462 1.00 0.00 H new ATOM 902 N ILE A 65 2.563 8.636 -4.226 1.00 0.00 N ATOM 903 CA ILE A 65 2.692 9.433 -3.013 1.00 0.00 C ATOM 904 C ILE A 65 3.838 10.433 -3.131 1.00 0.00 C ATOM 905 O ILE A 65 4.956 10.072 -3.498 1.00 0.00 O ATOM 906 CB ILE A 65 2.927 8.544 -1.777 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.631 7.833 -1.381 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.457 9.376 -0.619 1.00 0.00 C ATOM 909 CD1 ILE A 65 1.858 6.567 -0.583 1.00 0.00 C ATOM 0 H ILE A 65 3.241 7.879 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 65 1.753 9.973 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 65 3.672 7.789 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.015 8.516 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.069 7.589 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.618 8.734 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.400 9.841 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.733 10.151 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.897 6.115 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.448 5.866 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.393 6.807 0.336 1.00 0.00 H new ATOM 921 N LYS A 66 3.553 11.691 -2.814 1.00 0.00 N ATOM 922 CA LYS A 66 4.559 12.745 -2.882 1.00 0.00 C ATOM 923 C LYS A 66 4.560 13.578 -1.604 1.00 0.00 C ATOM 924 O LYS A 66 3.704 13.404 -0.737 1.00 0.00 O ATOM 925 CB LYS A 66 4.304 13.646 -4.091 1.00 0.00 C ATOM 926 CG LYS A 66 4.634 12.988 -5.420 1.00 0.00 C ATOM 927 CD LYS A 66 4.835 14.019 -6.518 1.00 0.00 C ATOM 928 CE LYS A 66 4.782 13.381 -7.898 1.00 0.00 C ATOM 929 NZ LYS A 66 4.848 14.399 -8.983 1.00 0.00 N ATOM 0 H LYS A 66 2.633 12.006 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 66 5.536 12.274 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.257 13.947 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.897 14.555 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.537 12.386 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.829 12.309 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.066 14.788 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.796 14.515 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.610 12.681 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.862 12.805 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.809 13.924 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.044 15.052 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.737 14.932 -8.905 1.00 0.00 H new ATOM 943 N GLY A 67 5.524 14.487 -1.496 1.00 0.00 N ATOM 944 CA GLY A 67 5.617 15.335 -0.322 1.00 0.00 C ATOM 945 C GLY A 67 6.338 14.658 0.827 1.00 0.00 C ATOM 946 O GLY A 67 6.129 15.005 1.991 1.00 0.00 O ATOM 0 H GLY A 67 6.243 14.651 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.140 16.255 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.614 15.618 -0.001 1.00 0.00 H new ATOM 950 N LEU A 68 7.185 13.689 0.503 1.00 0.00 N ATOM 951 CA LEU A 68 7.939 12.960 1.518 1.00 0.00 C ATOM 952 C LEU A 68 9.260 13.659 1.822 1.00 0.00 C ATOM 953 O LEU A 68 9.536 14.740 1.302 1.00 0.00 O ATOM 954 CB LEU A 68 8.203 11.527 1.053 1.00 0.00 C ATOM 955 CG LEU A 68 7.009 10.787 0.448 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.476 9.574 -0.341 1.00 0.00 C ATOM 957 CD2 LEU A 68 6.030 10.373 1.536 1.00 0.00 C ATOM 0 H LEU A 68 7.368 13.389 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 68 7.343 12.936 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.004 11.548 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.568 10.952 1.904 1.00 0.00 H new ATOM 0 HG LEU A 68 6.496 11.464 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.612 9.060 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.137 9.896 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.014 8.895 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.187 9.848 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.531 9.714 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.669 11.260 2.057 1.00 0.00 H new ATOM 969 N SER A 69 10.075 13.033 2.665 1.00 0.00 N ATOM 970 CA SER A 69 11.367 13.596 3.040 1.00 0.00 C ATOM 971 C SER A 69 12.501 12.641 2.677 1.00 0.00 C ATOM 972 O SER A 69 12.371 11.420 2.769 1.00 0.00 O ATOM 973 CB SER A 69 11.400 13.898 4.539 1.00 0.00 C ATOM 974 OG SER A 69 10.844 15.173 4.814 1.00 0.00 O ATOM 0 H SER A 69 9.864 12.136 3.101 1.00 0.00 H new ATOM 0 HA SER A 69 11.505 14.525 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.845 13.131 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.428 13.861 4.898 1.00 0.00 H new ATOM 0 HG SER A 69 10.875 15.342 5.779 1.00 0.00 H new ATOM 980 N PRO A 70 13.640 13.210 2.256 1.00 0.00 N ATOM 981 CA PRO A 70 14.819 12.428 1.871 1.00 0.00 C ATOM 982 C PRO A 70 15.483 11.754 3.067 1.00 0.00 C ATOM 983 O PRO A 70 15.414 12.253 4.190 1.00 0.00 O ATOM 984 CB PRO A 70 15.754 13.475 1.260 1.00 0.00 C ATOM 985 CG PRO A 70 15.347 14.761 1.892 1.00 0.00 C ATOM 986 CD PRO A 70 13.864 14.658 2.123 1.00 0.00 C ATOM 0 HA PRO A 70 14.565 11.615 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.798 13.244 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.648 13.516 0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.878 14.920 2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.583 15.606 1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.559 15.196 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.298 15.078 1.292 1.00 0.00 H new ATOM 994 N ALA A 71 16.127 10.618 2.819 1.00 0.00 N ATOM 995 CA ALA A 71 16.805 9.878 3.875 1.00 0.00 C ATOM 996 C ALA A 71 15.862 9.593 5.039 1.00 0.00 C ATOM 997 O ALA A 71 16.199 9.830 6.199 1.00 0.00 O ATOM 998 CB ALA A 71 18.026 10.647 4.359 1.00 0.00 C ATOM 0 H ALA A 71 16.193 10.190 1.895 1.00 0.00 H new ATOM 0 HA ALA A 71 17.130 8.923 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.523 10.082 5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.716 10.794 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.715 11.617 4.748 1.00 0.00 H new ATOM 1004 N THR A 72 14.676 9.081 4.722 1.00 0.00 N ATOM 1005 CA THR A 72 13.683 8.765 5.740 1.00 0.00 C ATOM 1006 C THR A 72 13.014 7.424 5.459 1.00 0.00 C ATOM 1007 O THR A 72 12.723 7.092 4.310 1.00 0.00 O ATOM 1008 CB THR A 72 12.600 9.857 5.828 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.178 11.084 6.290 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.478 9.434 6.764 1.00 0.00 C ATOM 0 H THR A 72 14.381 8.877 3.767 1.00 0.00 H new ATOM 0 HA THR A 72 14.213 8.712 6.691 1.00 0.00 H new ATOM 0 HB THR A 72 12.183 10.005 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.839 11.399 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.726 10.221 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.021 8.517 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.882 9.260 7.761 1.00 0.00 H new ATOM 1018 N THR A 73 12.772 6.655 6.517 1.00 0.00 N ATOM 1019 CA THR A 73 12.138 5.350 6.384 1.00 0.00 C ATOM 1020 C THR A 73 10.619 5.473 6.396 1.00 0.00 C ATOM 1021 O THR A 73 10.057 6.261 7.157 1.00 0.00 O ATOM 1022 CB THR A 73 12.573 4.396 7.512 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.988 4.492 7.715 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.201 2.959 7.180 1.00 0.00 C ATOM 0 H THR A 73 13.006 6.914 7.475 1.00 0.00 H new ATOM 0 HA THR A 73 12.459 4.939 5.427 1.00 0.00 H new ATOM 0 HB THR A 73 12.053 4.687 8.425 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.257 3.884 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.518 2.304 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.121 2.883 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.697 2.659 6.257 1.00 0.00 H new ATOM 1032 N TYR A 74 9.960 4.689 5.550 1.00 0.00 N ATOM 1033 CA TYR A 74 8.504 4.711 5.464 1.00 0.00 C ATOM 1034 C TYR A 74 7.943 3.297 5.361 1.00 0.00 C ATOM 1035 O TYR A 74 8.671 2.346 5.076 1.00 0.00 O ATOM 1036 CB TYR A 74 8.057 5.538 4.257 1.00 0.00 C ATOM 1037 CG TYR A 74 8.351 7.015 4.392 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.508 7.847 5.118 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.472 7.579 3.795 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.772 9.198 5.244 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.744 8.928 3.917 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.891 9.734 4.643 1.00 0.00 C ATOM 1043 OH TYR A 74 9.158 11.077 4.765 1.00 0.00 O ATOM 0 H TYR A 74 10.410 4.031 4.914 1.00 0.00 H new ATOM 0 HA TYR A 74 8.118 5.170 6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.552 5.158 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.986 5.401 4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.631 7.431 5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.142 6.952 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.105 9.831 5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.620 9.350 3.446 1.00 0.00 H new ATOM 0 HH TYR A 74 8.806 11.404 5.619 1.00 0.00 H new ATOM 1053 N TYR A 75 6.642 3.166 5.594 1.00 0.00 N ATOM 1054 CA TYR A 75 5.980 1.868 5.531 1.00 0.00 C ATOM 1055 C TYR A 75 4.596 1.992 4.900 1.00 0.00 C ATOM 1056 O TYR A 75 3.913 3.001 5.070 1.00 0.00 O ATOM 1057 CB TYR A 75 5.864 1.262 6.930 1.00 0.00 C ATOM 1058 CG TYR A 75 7.173 1.227 7.686 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.608 2.329 8.413 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.975 0.092 7.674 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.804 2.301 9.104 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.171 0.056 8.364 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.580 1.163 9.077 1.00 0.00 C ATOM 1064 OH TYR A 75 10.772 1.131 9.764 1.00 0.00 O ATOM 0 H TYR A 75 6.024 3.943 5.828 1.00 0.00 H new ATOM 0 HA TYR A 75 6.585 1.210 4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.137 1.835 7.506 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.476 0.247 6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.001 3.222 8.438 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.658 -0.776 7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.129 3.167 9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.782 -0.834 8.345 1.00 0.00 H new ATOM 0 HH TYR A 75 11.196 0.256 9.643 1.00 0.00 H new ATOM 1074 N CYS A 76 4.191 0.957 4.173 1.00 0.00 N ATOM 1075 CA CYS A 76 2.888 0.948 3.516 1.00 0.00 C ATOM 1076 C CYS A 76 2.291 -0.455 3.513 1.00 0.00 C ATOM 1077 O CYS A 76 3.011 -1.447 3.395 1.00 0.00 O ATOM 1078 CB CYS A 76 3.013 1.466 2.084 1.00 0.00 C ATOM 1079 SG CYS A 76 4.103 0.477 1.033 1.00 0.00 S ATOM 0 H CYS A 76 4.745 0.114 4.023 1.00 0.00 H new ATOM 0 HA CYS A 76 2.222 1.605 4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.021 1.497 1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.384 2.491 2.111 1.00 0.00 H new ATOM 0 HG CYS A 76 4.184 -0.731 1.507 1.00 0.00 H new ATOM 1085 N ARG A 77 0.971 -0.531 3.644 1.00 0.00 N ATOM 1086 CA ARG A 77 0.276 -1.813 3.658 1.00 0.00 C ATOM 1087 C ARG A 77 -1.084 -1.703 2.976 1.00 0.00 C ATOM 1088 O ARG A 77 -1.829 -0.749 3.203 1.00 0.00 O ATOM 1089 CB ARG A 77 0.099 -2.305 5.096 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.725 -1.366 5.964 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.507 -1.639 7.443 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.179 -0.656 8.287 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.283 -0.767 9.606 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.759 -1.814 10.230 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -1.909 0.171 10.306 1.00 0.00 N ATOM 0 H ARG A 77 0.361 0.280 3.742 1.00 0.00 H new ATOM 0 HA ARG A 77 0.882 -2.532 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.379 -3.284 5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.081 -2.437 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.457 -0.333 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.782 -1.480 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.875 -2.636 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.561 -1.632 7.659 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.592 0.162 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.275 -2.536 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.840 -1.897 11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.311 0.979 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.988 0.084 11.319 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.401 -2.685 2.138 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.672 -2.698 1.423 1.00 0.00 C ATOM 1111 C VAL A 78 -3.491 -3.933 1.781 1.00 0.00 C ATOM 1112 O VAL A 78 -2.939 -4.976 2.131 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.457 -2.663 -0.103 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.813 -3.956 -0.582 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.776 -2.416 -0.820 1.00 0.00 C ATOM 0 H VAL A 78 -0.796 -3.481 1.938 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.216 -1.804 1.727 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.782 -1.841 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.669 -3.913 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.848 -4.085 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.460 -4.798 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.606 -2.394 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.476 -3.216 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.191 -1.461 -0.499 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.811 -3.806 1.691 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.707 -4.914 2.006 1.00 0.00 C ATOM 1127 C GLN A 79 -6.896 -4.940 1.052 1.00 0.00 C ATOM 1128 O GLN A 79 -7.277 -3.913 0.492 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.198 -4.804 3.451 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.473 -3.988 3.599 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.870 -3.785 5.048 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -7.563 -2.755 5.649 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -8.558 -4.768 5.616 1.00 0.00 N ATOM 0 H GLN A 79 -5.284 -2.949 1.403 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.151 -5.844 1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.370 -5.806 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.414 -4.352 4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.335 -3.017 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.284 -4.489 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.790 -5.604 5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.854 -4.687 6.589 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.479 -6.121 0.872 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.625 -6.280 -0.012 1.00 0.00 C ATOM 1144 C ALA A 80 -9.918 -6.424 0.785 1.00 0.00 C ATOM 1145 O ALA A 80 -10.058 -7.336 1.600 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.427 -7.485 -0.922 1.00 0.00 C ATOM 0 H ALA A 80 -7.175 -6.982 1.328 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.705 -5.383 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.291 -7.592 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.530 -7.342 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.318 -8.384 -0.316 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.859 -5.518 0.544 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.141 -5.543 1.240 1.00 0.00 C ATOM 1154 C LEU A 81 -13.217 -6.190 0.376 1.00 0.00 C ATOM 1155 O LEU A 81 -13.203 -6.065 -0.849 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.563 -4.124 1.623 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.728 -3.445 2.710 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.491 -2.798 2.105 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.561 -2.414 3.457 1.00 0.00 C ATOM 0 H LEU A 81 -10.759 -4.757 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.023 -6.137 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.531 -3.503 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.601 -4.152 1.955 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.405 -4.205 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.909 -2.320 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.884 -3.560 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.793 -2.050 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.951 -1.941 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.915 -1.656 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.416 -2.905 3.923 1.00 0.00 H new ATOM 1171 N SER A 82 -14.152 -6.882 1.021 1.00 0.00 N ATOM 1172 CA SER A 82 -15.235 -7.550 0.311 1.00 0.00 C ATOM 1173 C SER A 82 -16.590 -7.150 0.887 1.00 0.00 C ATOM 1174 O SER A 82 -16.675 -6.292 1.766 1.00 0.00 O ATOM 1175 CB SER A 82 -15.064 -9.069 0.387 1.00 0.00 C ATOM 1176 OG SER A 82 -14.934 -9.499 1.731 1.00 0.00 O ATOM 0 H SER A 82 -14.180 -6.994 2.034 1.00 0.00 H new ATOM 0 HA SER A 82 -15.197 -7.240 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.922 -9.559 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.183 -9.368 -0.181 1.00 0.00 H new ATOM 0 HG SER A 82 -14.072 -9.950 1.848 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.649 -7.779 0.384 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.000 -7.491 0.849 1.00 0.00 C ATOM 1184 C VAL A 83 -19.385 -8.392 2.017 1.00 0.00 C ATOM 1185 O VAL A 83 -20.412 -8.186 2.663 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.032 -7.666 -0.282 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.998 -6.475 -1.226 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.778 -8.963 -1.036 1.00 0.00 C ATOM 0 H VAL A 83 -17.596 -8.491 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.005 -6.452 1.179 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.027 -7.718 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.734 -6.617 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.232 -5.565 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.004 -6.387 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.515 -9.072 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.778 -8.942 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.859 -9.805 -0.349 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.550 -9.392 2.284 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.801 -10.325 3.376 1.00 0.00 C ATOM 1200 C VAL A 84 -17.995 -9.951 4.615 1.00 0.00 C ATOM 1201 O VAL A 84 -18.350 -10.319 5.734 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.456 -11.770 2.970 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.967 -12.031 3.142 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.276 -12.761 3.781 1.00 0.00 C ATOM 0 H VAL A 84 -17.695 -9.576 1.759 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.865 -10.264 3.606 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.705 -11.903 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.741 -13.057 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.402 -11.343 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.689 -11.881 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.019 -13.777 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.060 -12.630 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.337 -12.587 3.603 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.908 -9.213 4.407 1.00 0.00 N ATOM 1215 CA GLY A 85 -16.069 -8.800 5.516 1.00 0.00 C ATOM 1216 C GLY A 85 -14.850 -8.022 5.062 1.00 0.00 C ATOM 1217 O GLY A 85 -14.974 -7.003 4.383 1.00 0.00 O ATOM 0 H GLY A 85 -16.594 -8.894 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.654 -8.186 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.748 -9.681 6.072 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.670 -8.501 5.439 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.423 -7.844 5.066 1.00 0.00 C ATOM 1223 C ALA A 86 -11.244 -8.806 5.161 1.00 0.00 C ATOM 1224 O ALA A 86 -11.326 -9.840 5.824 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.184 -6.626 5.946 1.00 0.00 C ATOM 0 H ALA A 86 -13.551 -9.342 6.003 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.510 -7.519 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.250 -6.145 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.007 -5.922 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.124 -6.937 6.989 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.148 -8.461 4.494 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.969 -9.306 4.515 1.00 0.00 C ATOM 1233 C GLY A 87 -7.858 -8.729 5.370 1.00 0.00 C ATOM 1234 O GLY A 87 -7.873 -7.553 5.734 1.00 0.00 O ATOM 0 H GLY A 87 -10.055 -7.610 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.239 -10.292 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.606 -9.443 3.497 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.866 -9.569 5.704 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.724 -9.157 6.526 1.00 0.00 C ATOM 1240 C PRO A 88 -4.796 -8.198 5.791 1.00 0.00 C ATOM 1241 O PRO A 88 -4.884 -8.044 4.571 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.006 -10.476 6.821 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.384 -11.373 5.693 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.783 -10.983 5.304 1.00 0.00 C ATOM 0 HA PRO A 88 -6.039 -8.618 7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.926 -10.336 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.319 -10.891 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.698 -11.255 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.340 -12.419 5.995 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.953 -11.109 4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.527 -11.591 5.819 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.905 -7.554 6.537 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.960 -6.608 5.955 1.00 0.00 C ATOM 1254 C PHE A 89 -1.734 -7.332 5.406 1.00 0.00 C ATOM 1255 O PHE A 89 -1.153 -8.187 6.075 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.530 -5.576 7.000 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.413 -4.360 7.040 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.557 -3.555 5.923 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.100 -4.026 8.196 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.368 -2.436 5.957 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -4.913 -2.908 8.237 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.048 -2.113 7.116 1.00 0.00 C ATOM 0 H PHE A 89 -3.817 -7.670 7.547 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.458 -6.096 5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.527 -6.046 7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.506 -5.265 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.029 -3.804 5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.999 -4.646 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.470 -1.815 5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.442 -2.657 9.145 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.684 -1.240 7.145 1.00 0.00 H new ATOM 1272 N SER A 90 -1.347 -6.985 4.182 1.00 0.00 N ATOM 1273 CA SER A 90 -0.195 -7.604 3.541 1.00 0.00 C ATOM 1274 C SER A 90 1.070 -7.382 4.364 1.00 0.00 C ATOM 1275 O SER A 90 1.053 -6.669 5.367 1.00 0.00 O ATOM 1276 CB SER A 90 -0.004 -7.040 2.131 1.00 0.00 C ATOM 1277 OG SER A 90 0.238 -5.644 2.169 1.00 0.00 O ATOM 0 H SER A 90 -1.816 -6.278 3.615 1.00 0.00 H new ATOM 0 HA SER A 90 -0.381 -8.676 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.831 -7.544 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.892 -7.242 1.532 1.00 0.00 H new ATOM 0 HG SER A 90 0.358 -5.308 1.256 1.00 0.00 H new ATOM 1283 N GLU A 91 2.166 -7.999 3.933 1.00 0.00 N ATOM 1284 CA GLU A 91 3.440 -7.869 4.631 1.00 0.00 C ATOM 1285 C GLU A 91 3.995 -6.454 4.490 1.00 0.00 C ATOM 1286 O GLU A 91 4.333 -6.013 3.392 1.00 0.00 O ATOM 1287 CB GLU A 91 4.451 -8.881 4.086 1.00 0.00 C ATOM 1288 CG GLU A 91 4.284 -10.276 4.664 1.00 0.00 C ATOM 1289 CD GLU A 91 5.454 -11.185 4.339 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.583 -10.670 4.193 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.241 -12.410 4.232 1.00 0.00 O ATOM 0 H GLU A 91 2.197 -8.593 3.105 1.00 0.00 H new ATOM 0 HA GLU A 91 3.268 -8.071 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.354 -8.932 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.459 -8.526 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.172 -10.206 5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.366 -10.718 4.277 1.00 0.00 H new ATOM 1298 N VAL A 92 4.087 -5.747 5.613 1.00 0.00 N ATOM 1299 CA VAL A 92 4.601 -4.383 5.617 1.00 0.00 C ATOM 1300 C VAL A 92 5.852 -4.265 4.755 1.00 0.00 C ATOM 1301 O VAL A 92 6.835 -4.975 4.967 1.00 0.00 O ATOM 1302 CB VAL A 92 4.929 -3.911 7.046 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.564 -2.529 7.019 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.676 -3.915 7.909 1.00 0.00 C ATOM 0 H VAL A 92 3.812 -6.097 6.531 1.00 0.00 H new ATOM 0 HA VAL A 92 3.817 -3.748 5.204 1.00 0.00 H new ATOM 0 HB VAL A 92 5.646 -4.605 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.789 -2.212 8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.485 -2.563 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.873 -1.820 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.926 -3.579 8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.934 -3.244 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.269 -4.925 7.955 1.00 0.00 H new ATOM 1314 N VAL A 93 5.809 -3.362 3.780 1.00 0.00 N ATOM 1315 CA VAL A 93 6.942 -3.149 2.886 1.00 0.00 C ATOM 1316 C VAL A 93 7.672 -1.854 3.222 1.00 0.00 C ATOM 1317 O VAL A 93 7.199 -0.762 2.909 1.00 0.00 O ATOM 1318 CB VAL A 93 6.491 -3.103 1.413 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.679 -2.843 0.499 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.788 -4.397 1.030 1.00 0.00 C ATOM 0 H VAL A 93 5.003 -2.767 3.589 1.00 0.00 H new ATOM 0 HA VAL A 93 7.620 -3.991 3.027 1.00 0.00 H new ATOM 0 HB VAL A 93 5.784 -2.282 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.341 -2.814 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.136 -1.888 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.412 -3.641 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.476 -4.347 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.471 -5.236 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.912 -4.537 1.664 1.00 0.00 H new ATOM 1330 N ALA A 94 8.830 -1.984 3.863 1.00 0.00 N ATOM 1331 CA ALA A 94 9.627 -0.824 4.241 1.00 0.00 C ATOM 1332 C ALA A 94 10.304 -0.202 3.023 1.00 0.00 C ATOM 1333 O ALA A 94 10.588 -0.890 2.041 1.00 0.00 O ATOM 1334 CB ALA A 94 10.667 -1.215 5.281 1.00 0.00 C ATOM 0 H ALA A 94 9.236 -2.881 4.131 1.00 0.00 H new ATOM 0 HA ALA A 94 8.958 -0.080 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.255 -0.339 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.167 -1.607 6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.325 -1.980 4.868 1.00 0.00 H new ATOM 1340 N CYS A 95 10.557 1.099 3.094 1.00 0.00 N ATOM 1341 CA CYS A 95 11.199 1.814 1.996 1.00 0.00 C ATOM 1342 C CYS A 95 11.874 3.087 2.495 1.00 0.00 C ATOM 1343 O CYS A 95 11.269 3.880 3.216 1.00 0.00 O ATOM 1344 CB CYS A 95 10.173 2.157 0.914 1.00 0.00 C ATOM 1345 SG CYS A 95 8.941 3.377 1.426 1.00 0.00 S ATOM 0 H CYS A 95 10.328 1.681 3.900 1.00 0.00 H new ATOM 0 HA CYS A 95 11.963 1.163 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.698 2.533 0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.661 1.244 0.612 1.00 0.00 H new ATOM 0 HG CYS A 95 8.122 3.606 0.443 1.00 0.00 H new ATOM 1351 N VAL A 96 13.132 3.274 2.109 1.00 0.00 N ATOM 1352 CA VAL A 96 13.889 4.450 2.519 1.00 0.00 C ATOM 1353 C VAL A 96 14.206 5.344 1.325 1.00 0.00 C ATOM 1354 O VAL A 96 14.777 4.894 0.331 1.00 0.00 O ATOM 1355 CB VAL A 96 15.207 4.056 3.213 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.970 5.294 3.656 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.932 3.138 4.394 1.00 0.00 C ATOM 0 H VAL A 96 13.648 2.626 1.513 1.00 0.00 H new ATOM 0 HA VAL A 96 13.264 4.997 3.224 1.00 0.00 H new ATOM 0 HB VAL A 96 15.826 3.515 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.898 4.995 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.200 5.910 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.361 5.866 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.874 2.869 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.293 3.651 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.432 2.235 4.044 1.00 0.00 H new ATOM 1367 N THR A 97 13.829 6.615 1.428 1.00 0.00 N ATOM 1368 CA THR A 97 14.071 7.573 0.357 1.00 0.00 C ATOM 1369 C THR A 97 15.536 7.994 0.317 1.00 0.00 C ATOM 1370 O THR A 97 16.228 8.019 1.334 1.00 0.00 O ATOM 1371 CB THR A 97 13.192 8.828 0.516 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.396 9.408 1.809 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.721 8.484 0.335 1.00 0.00 C ATOM 0 H THR A 97 13.355 7.004 2.243 1.00 0.00 H new ATOM 0 HA THR A 97 13.813 7.074 -0.577 1.00 0.00 H new ATOM 0 HB THR A 97 13.478 9.546 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.621 9.959 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.119 9.385 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.564 8.069 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.424 7.750 1.084 1.00 0.00 H new ATOM 1381 N PRO A 98 16.021 8.336 -0.887 1.00 0.00 N ATOM 1382 CA PRO A 98 17.409 8.764 -1.088 1.00 0.00 C ATOM 1383 C PRO A 98 17.687 10.134 -0.478 1.00 0.00 C ATOM 1384 O PRO A 98 16.811 10.995 -0.401 1.00 0.00 O ATOM 1385 CB PRO A 98 17.545 8.819 -2.612 1.00 0.00 C ATOM 1386 CG PRO A 98 16.159 9.044 -3.109 1.00 0.00 C ATOM 1387 CD PRO A 98 15.253 8.331 -2.143 1.00 0.00 C ATOM 0 HA PRO A 98 18.118 8.090 -0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.212 9.624 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.961 7.892 -3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.927 10.108 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.038 8.653 -4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.299 8.846 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.031 7.317 -2.474 1.00 0.00 H new ATOM 1395 N PRO A 99 18.935 10.343 -0.035 1.00 0.00 N ATOM 1396 CA PRO A 99 19.358 11.607 0.575 1.00 0.00 C ATOM 1397 C PRO A 99 19.422 12.746 -0.436 1.00 0.00 C ATOM 1398 O PRO A 99 19.914 12.571 -1.552 1.00 0.00 O ATOM 1399 CB PRO A 99 20.755 11.291 1.115 1.00 0.00 C ATOM 1400 CG PRO A 99 21.245 10.171 0.264 1.00 0.00 C ATOM 1401 CD PRO A 99 20.031 9.360 -0.094 1.00 0.00 C ATOM 0 HA PRO A 99 18.658 11.945 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.412 12.158 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.718 11.003 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.740 10.549 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.975 9.565 0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.121 8.918 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.874 8.540 0.607 1.00 0.00 H new ATOM 1409 N SER A 100 18.922 13.912 -0.041 1.00 0.00 N ATOM 1410 CA SER A 100 18.920 15.079 -0.916 1.00 0.00 C ATOM 1411 C SER A 100 20.133 15.964 -0.642 1.00 0.00 C ATOM 1412 O SER A 100 20.197 16.649 0.378 1.00 0.00 O ATOM 1413 CB SER A 100 17.633 15.883 -0.724 1.00 0.00 C ATOM 1414 OG SER A 100 17.292 16.587 -1.906 1.00 0.00 O ATOM 0 H SER A 100 18.513 14.074 0.879 1.00 0.00 H new ATOM 0 HA SER A 100 18.972 14.731 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.819 15.213 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.759 16.587 0.099 1.00 0.00 H new ATOM 0 HG SER A 100 16.465 17.092 -1.759 1.00 0.00 H new