USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl 174:sc= -0.865 (180deg=0) USER MOD Set 1.2: A 97 TYR OH : rot -118:sc= 0.24 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= 0 F(o=-2,f=-0.21) USER MOD Set 2.2: A 63 HIS :FLIP no HD1:sc= -0.212 F(o=-1.6,f=-0.21) USER MOD Set 3.1: A 24 SER OG : rot -77:sc= 0.302 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.836 X(o=-0.84,f=-1.3) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -4.29 K(o=-4.3,f=-8.5!) USER MOD Single : A 28 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -0.389 USER MOD Single : A 36 THR OG1 : rot 40:sc= 1.04 USER MOD Single : A 38 MET CE :methyl 166:sc= -0.67 (180deg=-0.91) USER MOD Single : A 41 TYR OH : rot -176:sc= 0.142 USER MOD Single : A 43 SER OG : rot -133:sc= 1.53 USER MOD Single : A 44 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.04 K(o=-1,f=-4.4!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.674 F(o=-2.1,f=-0.67) USER MOD Single : A 53 MET CE :methyl -134:sc= -1.96 (180deg=-5.03!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 140:sc= -0.591 USER MOD Single : A 61 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 72 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 40:sc= -0.602 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 120:sc= -0.659 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.11 K(o=-1.1,f=-5!) USER MOD Single : A 83 LYS NZ :NH3+ -118:sc= -1.21 (180deg=-1.74!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -33:sc= -2.24! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -21:sc= -3.96! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -56:sc= 1.19 USER MOD Single : A 124 HIS : no HD1:sc= 0.197 K(o=0.2,f=-1.3) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 157:sc= -2.31 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 5.152 -4.182 6.665 1.00 0.00 N ATOM 107 CA PRO A 9 3.789 -4.334 6.052 1.00 0.00 C ATOM 108 C PRO A 9 3.084 -5.594 6.535 1.00 0.00 C ATOM 109 O PRO A 9 3.728 -6.550 6.975 1.00 0.00 O ATOM 110 CB PRO A 9 4.071 -4.413 4.552 1.00 0.00 C ATOM 111 CG PRO A 9 5.446 -4.978 4.455 1.00 0.00 C ATOM 112 CD PRO A 9 6.217 -4.407 5.643 1.00 0.00 C ATOM 0 HA PRO A 9 3.125 -3.513 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.345 -5.049 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.013 -3.429 4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.424 -6.067 4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.917 -4.699 3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.978 -5.101 6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.728 -3.480 5.383 1.00 0.00 H new ATOM 120 N THR A 10 1.752 -5.574 6.460 1.00 0.00 N ATOM 121 CA THR A 10 0.933 -6.701 6.899 1.00 0.00 C ATOM 122 C THR A 10 0.301 -7.394 5.686 1.00 0.00 C ATOM 123 O THR A 10 -0.287 -6.735 4.821 1.00 0.00 O ATOM 124 CB THR A 10 -0.161 -6.195 7.866 1.00 0.00 C ATOM 125 OG1 THR A 10 0.459 -5.560 8.977 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.020 -7.367 8.373 1.00 0.00 C ATOM 0 H THR A 10 1.217 -4.785 6.097 1.00 0.00 H new ATOM 0 HA THR A 10 1.559 -7.425 7.420 1.00 0.00 H new ATOM 0 HB THR A 10 -0.802 -5.492 7.335 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.229 -5.235 9.594 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.785 -6.990 9.053 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.498 -7.861 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.387 -8.081 8.899 1.00 0.00 H new ATOM 134 N THR A 11 0.447 -8.726 5.627 1.00 0.00 N ATOM 135 CA THR A 11 -0.091 -9.510 4.514 1.00 0.00 C ATOM 136 C THR A 11 -1.334 -10.295 4.958 1.00 0.00 C ATOM 137 O THR A 11 -1.265 -11.116 5.878 1.00 0.00 O ATOM 138 CB THR A 11 0.998 -10.472 3.984 1.00 0.00 C ATOM 139 OG1 THR A 11 2.130 -9.715 3.576 1.00 0.00 O ATOM 140 CG2 THR A 11 0.472 -11.270 2.778 1.00 0.00 C ATOM 0 H THR A 11 0.931 -9.277 6.335 1.00 0.00 H new ATOM 0 HA THR A 11 -0.388 -8.833 3.713 1.00 0.00 H new ATOM 0 HB THR A 11 1.271 -11.166 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.824 -10.320 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.251 -11.942 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.399 -11.853 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.190 -10.582 1.981 1.00 0.00 H new ATOM 148 N VAL A 12 -2.466 -10.038 4.283 1.00 0.00 N ATOM 149 CA VAL A 12 -3.729 -10.726 4.593 1.00 0.00 C ATOM 150 C VAL A 12 -4.388 -11.261 3.307 1.00 0.00 C ATOM 151 O VAL A 12 -4.513 -10.540 2.319 1.00 0.00 O ATOM 152 CB VAL A 12 -4.691 -9.777 5.357 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.017 -10.495 5.685 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.029 -9.329 6.669 1.00 0.00 C ATOM 0 H VAL A 12 -2.532 -9.362 3.522 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.509 -11.578 5.237 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.901 -8.914 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.677 -9.813 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.497 -10.813 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.814 -11.367 6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.703 -8.662 7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.814 -10.202 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.100 -8.804 6.447 1.00 0.00 H new ATOM 164 N ALA A 13 -4.808 -12.529 3.344 1.00 0.00 N ATOM 165 CA ALA A 13 -5.457 -13.170 2.194 1.00 0.00 C ATOM 166 C ALA A 13 -6.974 -13.234 2.383 1.00 0.00 C ATOM 167 O ALA A 13 -7.457 -13.324 3.516 1.00 0.00 O ATOM 168 CB ALA A 13 -4.904 -14.581 2.001 1.00 0.00 C ATOM 0 H ALA A 13 -4.710 -13.134 4.159 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.245 -12.570 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.391 -15.049 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.830 -14.530 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.096 -15.173 2.896 1.00 0.00 H new ATOM 174 N PHE A 14 -7.722 -13.199 1.262 1.00 0.00 N ATOM 175 CA PHE A 14 -9.186 -13.268 1.318 1.00 0.00 C ATOM 176 C PHE A 14 -9.752 -14.054 0.127 1.00 0.00 C ATOM 177 O PHE A 14 -9.072 -14.232 -0.889 1.00 0.00 O ATOM 178 CB PHE A 14 -9.798 -11.844 1.392 1.00 0.00 C ATOM 179 CG PHE A 14 -9.563 -11.074 0.098 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.552 -11.063 -0.895 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.367 -10.376 -0.101 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.346 -10.353 -2.082 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.160 -9.668 -1.293 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.148 -9.655 -2.282 1.00 0.00 C ATOM 0 H PHE A 14 -7.337 -13.124 0.320 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.464 -13.804 2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.868 -11.915 1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.358 -11.299 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.475 -11.604 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.604 -10.383 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.111 -10.343 -2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.236 -9.132 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.988 -9.108 -3.199 1.00 0.00 H new ATOM 194 N ASP A 15 -10.990 -14.540 0.279 1.00 0.00 N ATOM 195 CA ASP A 15 -11.642 -15.334 -0.763 1.00 0.00 C ATOM 196 C ASP A 15 -12.683 -14.524 -1.518 1.00 0.00 C ATOM 197 O ASP A 15 -13.617 -13.985 -0.912 1.00 0.00 O ATOM 198 CB ASP A 15 -12.320 -16.560 -0.141 1.00 0.00 C ATOM 199 CG ASP A 15 -11.295 -17.395 0.619 1.00 0.00 C ATOM 200 OD1 ASP A 15 -11.128 -17.159 1.804 1.00 0.00 O ATOM 201 OD2 ASP A 15 -10.693 -18.262 0.005 1.00 0.00 O ATOM 0 H ASP A 15 -11.558 -14.396 1.114 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.870 -15.646 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.115 -16.243 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.786 -17.163 -0.921 1.00 0.00 H new ATOM 206 N VAL A 16 -12.573 -14.522 -2.856 1.00 0.00 N ATOM 207 CA VAL A 16 -13.576 -13.876 -3.698 1.00 0.00 C ATOM 208 C VAL A 16 -14.583 -14.913 -4.158 1.00 0.00 C ATOM 209 O VAL A 16 -14.255 -15.801 -4.942 1.00 0.00 O ATOM 210 CB VAL A 16 -12.938 -13.155 -4.903 1.00 0.00 C ATOM 211 CG1 VAL A 16 -12.024 -12.033 -4.403 1.00 0.00 C ATOM 212 CG2 VAL A 16 -12.120 -14.136 -5.758 1.00 0.00 C ATOM 0 H VAL A 16 -11.806 -14.957 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.083 -13.112 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.736 -12.739 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.573 -11.524 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.608 -11.320 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.239 -12.456 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.680 -13.604 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.327 -14.574 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.772 -14.927 -6.128 1.00 0.00 H new ATOM 222 N ARG A 17 -15.789 -14.840 -3.598 1.00 0.00 N ATOM 223 CA ARG A 17 -16.836 -15.822 -3.880 1.00 0.00 C ATOM 224 C ARG A 17 -17.873 -15.272 -4.902 1.00 0.00 C ATOM 225 O ARG A 17 -18.528 -14.265 -4.623 1.00 0.00 O ATOM 226 CB ARG A 17 -17.515 -16.228 -2.564 1.00 0.00 C ATOM 227 CG ARG A 17 -16.477 -16.947 -1.672 1.00 0.00 C ATOM 228 CD ARG A 17 -17.013 -17.114 -0.247 1.00 0.00 C ATOM 229 NE ARG A 17 -18.279 -17.878 -0.245 1.00 0.00 N ATOM 230 CZ ARG A 17 -18.329 -19.236 -0.284 1.00 0.00 C ATOM 231 NH1 ARG A 17 -17.228 -19.961 -0.331 1.00 0.00 N ATOM 232 NH2 ARG A 17 -19.488 -19.834 -0.273 1.00 0.00 N ATOM 0 H ARG A 17 -16.067 -14.108 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.381 -16.702 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.907 -15.348 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.362 -16.885 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.241 -17.924 -2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.549 -16.376 -1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.273 -17.628 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.174 -16.134 0.202 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.158 -17.361 -0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.316 -19.504 -0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.288 -20.979 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.346 -19.283 -0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.537 -20.852 -0.302 1.00 0.00 H new ATOM 246 N PRO A 18 -18.010 -15.892 -6.109 1.00 0.00 N ATOM 247 CA PRO A 18 -18.950 -15.398 -7.168 1.00 0.00 C ATOM 248 C PRO A 18 -20.399 -15.793 -6.899 1.00 0.00 C ATOM 249 O PRO A 18 -20.695 -16.512 -5.940 1.00 0.00 O ATOM 250 CB PRO A 18 -18.441 -16.073 -8.427 1.00 0.00 C ATOM 251 CG PRO A 18 -17.928 -17.387 -7.957 1.00 0.00 C ATOM 252 CD PRO A 18 -17.293 -17.119 -6.592 1.00 0.00 C ATOM 0 HA PRO A 18 -18.963 -14.309 -7.223 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.237 -16.196 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.655 -15.486 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.734 -18.116 -7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.197 -17.795 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.432 -17.959 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.219 -16.950 -6.675 1.00 0.00 H new ATOM 260 N GLY A 19 -21.297 -15.313 -7.767 1.00 0.00 N ATOM 261 CA GLY A 19 -22.731 -15.606 -7.648 1.00 0.00 C ATOM 262 C GLY A 19 -23.608 -14.369 -7.932 1.00 0.00 C ATOM 263 O GLY A 19 -24.812 -14.387 -7.661 1.00 0.00 O ATOM 0 H GLY A 19 -21.056 -14.719 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.995 -16.403 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.942 -15.975 -6.644 1.00 0.00 H new ATOM 267 N GLY A 20 -22.995 -13.299 -8.476 1.00 0.00 N ATOM 268 CA GLY A 20 -23.727 -12.066 -8.785 1.00 0.00 C ATOM 269 C GLY A 20 -24.148 -11.327 -7.508 1.00 0.00 C ATOM 270 O GLY A 20 -25.139 -10.591 -7.507 1.00 0.00 O ATOM 0 H GLY A 20 -22.002 -13.268 -8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -23.102 -11.414 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.611 -12.305 -9.377 1.00 0.00 H new ATOM 274 N VAL A 21 -23.387 -11.537 -6.426 1.00 0.00 N ATOM 275 CA VAL A 21 -23.672 -10.902 -5.138 1.00 0.00 C ATOM 276 C VAL A 21 -22.516 -9.987 -4.758 1.00 0.00 C ATOM 277 O VAL A 21 -21.350 -10.396 -4.798 1.00 0.00 O ATOM 278 CB VAL A 21 -23.893 -11.980 -4.041 1.00 0.00 C ATOM 279 CG1 VAL A 21 -24.215 -11.319 -2.688 1.00 0.00 C ATOM 280 CG2 VAL A 21 -25.055 -12.902 -4.438 1.00 0.00 C ATOM 0 H VAL A 21 -22.567 -12.144 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.584 -10.311 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.976 -12.562 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -24.366 -12.090 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -23.386 -10.677 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -25.121 -10.721 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -25.203 -13.655 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.965 -12.313 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.823 -13.394 -5.382 1.00 0.00 H new ATOM 290 N VAL A 22 -22.848 -8.746 -4.404 1.00 0.00 N ATOM 291 CA VAL A 22 -21.836 -7.763 -4.029 1.00 0.00 C ATOM 292 C VAL A 22 -21.302 -8.090 -2.638 1.00 0.00 C ATOM 293 O VAL A 22 -22.055 -8.112 -1.659 1.00 0.00 O ATOM 294 CB VAL A 22 -22.436 -6.329 -4.067 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.367 -5.289 -3.686 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.950 -6.019 -5.481 1.00 0.00 C ATOM 0 H VAL A 22 -23.807 -8.400 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 22 -21.012 -7.802 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.258 -6.280 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.803 -4.291 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.002 -5.494 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.537 -5.345 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.370 -5.013 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.125 -6.084 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.721 -6.740 -5.754 1.00 0.00 H new ATOM 306 N HIS A 23 -19.998 -8.352 -2.573 1.00 0.00 N ATOM 307 CA HIS A 23 -19.338 -8.695 -1.313 1.00 0.00 C ATOM 308 C HIS A 23 -18.335 -7.628 -0.926 1.00 0.00 C ATOM 309 O HIS A 23 -17.593 -7.121 -1.775 1.00 0.00 O ATOM 310 CB HIS A 23 -18.620 -10.045 -1.422 1.00 0.00 C ATOM 311 CG HIS A 23 -19.610 -11.139 -1.727 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.548 -11.569 -0.802 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.811 -11.904 -2.847 1.00 0.00 C ATOM 314 CE1 HIS A 23 -21.265 -12.552 -1.379 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.855 -12.793 -2.627 1.00 0.00 N ATOM 0 H HIS A 23 -19.375 -8.333 -3.380 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.109 -8.761 -0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.864 -10.000 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -18.100 -10.265 -0.489 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.673 -11.207 0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -19.243 -11.827 -3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -22.072 -13.080 -0.893 1.00 0.00 H new ATOM 323 N SER A 24 -18.314 -7.300 0.362 1.00 0.00 N ATOM 324 CA SER A 24 -17.393 -6.296 0.887 1.00 0.00 C ATOM 325 C SER A 24 -16.427 -6.914 1.891 1.00 0.00 C ATOM 326 O SER A 24 -16.845 -7.530 2.875 1.00 0.00 O ATOM 327 CB SER A 24 -18.174 -5.165 1.554 1.00 0.00 C ATOM 328 OG SER A 24 -18.977 -4.510 0.581 1.00 0.00 O ATOM 0 H SER A 24 -18.926 -7.716 1.064 1.00 0.00 H new ATOM 0 HA SER A 24 -16.817 -5.896 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.801 -5.562 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.487 -4.454 2.013 1.00 0.00 H new ATOM 0 HG SER A 24 -18.415 -3.921 0.035 1.00 0.00 H new ATOM 334 N PHE A 25 -15.136 -6.706 1.647 1.00 0.00 N ATOM 335 CA PHE A 25 -14.079 -7.195 2.536 1.00 0.00 C ATOM 336 C PHE A 25 -13.161 -6.056 2.928 1.00 0.00 C ATOM 337 O PHE A 25 -12.964 -5.122 2.150 1.00 0.00 O ATOM 338 CB PHE A 25 -13.285 -8.316 1.861 1.00 0.00 C ATOM 339 CG PHE A 25 -14.165 -9.534 1.712 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.925 -9.712 0.554 1.00 0.00 C ATOM 341 CD2 PHE A 25 -14.219 -10.485 2.738 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.739 -10.843 0.419 1.00 0.00 C ATOM 343 CE2 PHE A 25 -15.033 -11.615 2.604 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.793 -11.794 1.445 1.00 0.00 C ATOM 0 H PHE A 25 -14.791 -6.197 0.833 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.540 -7.599 3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.930 -7.988 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.404 -8.561 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.885 -8.978 -0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.632 -10.346 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.326 -10.982 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.074 -12.348 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.422 -12.666 1.341 1.00 0.00 H new ATOM 354 N SER A 26 -12.639 -6.108 4.157 1.00 0.00 N ATOM 355 CA SER A 26 -11.788 -5.034 4.663 1.00 0.00 C ATOM 356 C SER A 26 -10.759 -5.556 5.654 1.00 0.00 C ATOM 357 O SER A 26 -10.860 -6.687 6.138 1.00 0.00 O ATOM 358 CB SER A 26 -12.647 -3.967 5.326 1.00 0.00 C ATOM 359 OG SER A 26 -13.221 -4.497 6.516 1.00 0.00 O ATOM 0 H SER A 26 -12.790 -6.875 4.812 1.00 0.00 H new ATOM 0 HA SER A 26 -11.251 -4.603 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.043 -3.090 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.432 -3.640 4.644 1.00 0.00 H new ATOM 0 HG SER A 26 -13.774 -3.811 6.946 1.00 0.00 H new ATOM 365 N HIS A 27 -9.769 -4.710 5.950 1.00 0.00 N ATOM 366 CA HIS A 27 -8.706 -5.057 6.886 1.00 0.00 C ATOM 367 C HIS A 27 -8.270 -3.829 7.687 1.00 0.00 C ATOM 368 O HIS A 27 -8.270 -2.699 7.176 1.00 0.00 O ATOM 369 CB HIS A 27 -7.500 -5.665 6.140 1.00 0.00 C ATOM 370 CG HIS A 27 -6.477 -6.162 7.141 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.145 -5.777 7.089 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.589 -6.981 8.236 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.515 -6.358 8.129 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.351 -7.103 8.859 1.00 0.00 N ATOM 0 H HIS A 27 -9.685 -3.775 5.550 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.095 -5.802 7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.830 -6.487 5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.050 -4.918 5.487 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.500 -7.459 8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.464 -6.237 8.346 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.129 -7.645 9.694 1.00 0.00 H new ATOM 382 N ASN A 28 -7.907 -4.074 8.944 1.00 0.00 N ATOM 383 CA ASN A 28 -7.470 -3.026 9.853 1.00 0.00 C ATOM 384 C ASN A 28 -6.466 -3.580 10.858 1.00 0.00 C ATOM 385 O ASN A 28 -6.307 -4.799 10.978 1.00 0.00 O ATOM 386 CB ASN A 28 -8.674 -2.420 10.590 1.00 0.00 C ATOM 387 CG ASN A 28 -9.416 -3.488 11.414 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.858 -4.540 11.743 1.00 0.00 O ATOM 389 ND2 ASN A 28 -10.653 -3.273 11.767 1.00 0.00 N ATOM 0 H ASN A 28 -7.909 -5.006 9.358 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.986 -2.243 9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.336 -1.619 11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.358 -1.973 9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.156 -3.972 12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.117 -2.406 11.497 1.00 0.00 H new ATOM 396 N VAL A 29 -5.788 -2.680 11.570 1.00 0.00 N ATOM 397 CA VAL A 29 -4.783 -3.073 12.568 1.00 0.00 C ATOM 398 C VAL A 29 -5.099 -2.447 13.925 1.00 0.00 C ATOM 399 O VAL A 29 -5.891 -1.509 14.008 1.00 0.00 O ATOM 400 CB VAL A 29 -3.366 -2.672 12.103 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.019 -3.425 10.812 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.299 -1.149 11.841 1.00 0.00 C ATOM 0 H VAL A 29 -5.914 -1.672 11.477 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.814 -4.157 12.674 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.652 -2.930 12.885 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.019 -3.142 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.050 -4.499 10.997 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.741 -3.170 10.037 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.295 -0.880 11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.017 -0.881 11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.538 -0.611 12.758 1.00 0.00 H new ATOM 412 N GLY A 30 -4.522 -3.016 14.993 1.00 0.00 N ATOM 413 CA GLY A 30 -4.795 -2.547 16.358 1.00 0.00 C ATOM 414 C GLY A 30 -4.539 -1.027 16.506 1.00 0.00 C ATOM 415 O GLY A 30 -5.493 -0.263 16.679 1.00 0.00 O ATOM 0 H GLY A 30 -3.868 -3.797 14.939 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.830 -2.768 16.618 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.166 -3.092 17.062 1.00 0.00 H new ATOM 419 N PRO A 31 -3.271 -0.559 16.430 1.00 0.00 N ATOM 420 CA PRO A 31 -2.952 0.911 16.550 1.00 0.00 C ATOM 421 C PRO A 31 -3.709 1.736 15.509 1.00 0.00 C ATOM 422 O PRO A 31 -4.241 2.808 15.811 1.00 0.00 O ATOM 423 CB PRO A 31 -1.442 0.966 16.275 1.00 0.00 C ATOM 424 CG PRO A 31 -0.938 -0.383 16.651 1.00 0.00 C ATOM 425 CD PRO A 31 -2.031 -1.358 16.235 1.00 0.00 C ATOM 0 HA PRO A 31 -3.237 1.322 17.518 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.238 1.186 15.227 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.961 1.747 16.864 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.001 -0.606 16.144 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.744 -0.445 17.722 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.915 -1.680 15.200 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.027 -2.257 16.851 1.00 0.00 H new ATOM 433 N GLY A 32 -3.752 1.211 14.286 1.00 0.00 N ATOM 434 CA GLY A 32 -4.442 1.864 13.171 1.00 0.00 C ATOM 435 C GLY A 32 -5.883 1.370 13.030 1.00 0.00 C ATOM 436 O GLY A 32 -6.393 1.253 11.911 1.00 0.00 O ATOM 0 H GLY A 32 -3.312 0.325 14.039 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.441 2.943 13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.899 1.673 12.245 1.00 0.00 H new ATOM 440 N ASP A 33 -6.519 1.036 14.164 1.00 0.00 N ATOM 441 CA ASP A 33 -7.890 0.500 14.142 1.00 0.00 C ATOM 442 C ASP A 33 -8.855 1.474 13.478 1.00 0.00 C ATOM 443 O ASP A 33 -9.766 1.060 12.753 1.00 0.00 O ATOM 444 CB ASP A 33 -8.356 0.187 15.565 1.00 0.00 C ATOM 445 CG ASP A 33 -8.325 1.438 16.472 1.00 0.00 C ATOM 446 OD1 ASP A 33 -7.673 2.414 16.116 1.00 0.00 O ATOM 447 OD2 ASP A 33 -8.960 1.395 17.513 1.00 0.00 O ATOM 0 H ASP A 33 -6.113 1.126 15.096 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.882 -0.419 13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.369 -0.214 15.535 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.719 -0.587 15.993 1.00 0.00 H new ATOM 452 N LYS A 34 -8.601 2.764 13.670 1.00 0.00 N ATOM 453 CA LYS A 34 -9.384 3.811 13.032 1.00 0.00 C ATOM 454 C LYS A 34 -9.221 3.733 11.508 1.00 0.00 C ATOM 455 O LYS A 34 -10.148 4.050 10.757 1.00 0.00 O ATOM 456 CB LYS A 34 -8.946 5.192 13.542 1.00 0.00 C ATOM 457 CG LYS A 34 -9.914 6.272 13.022 1.00 0.00 C ATOM 458 CD LYS A 34 -9.469 7.662 13.509 1.00 0.00 C ATOM 459 CE LYS A 34 -9.758 7.812 15.010 1.00 0.00 C ATOM 460 NZ LYS A 34 -9.414 9.193 15.448 1.00 0.00 N ATOM 0 H LYS A 34 -7.851 3.110 14.269 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.435 3.666 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.930 5.199 14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.931 5.408 13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.942 6.252 11.933 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.925 6.063 13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.404 7.799 13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.994 8.437 12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.810 7.607 15.211 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.178 7.084 15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.610 9.294 16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.405 9.372 15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.986 9.879 14.915 1.00 0.00 H new ATOM 474 N TYR A 35 -8.008 3.360 11.067 1.00 0.00 N ATOM 475 CA TYR A 35 -7.684 3.298 9.634 1.00 0.00 C ATOM 476 C TYR A 35 -7.949 1.905 9.074 1.00 0.00 C ATOM 477 O TYR A 35 -7.574 0.901 9.689 1.00 0.00 O ATOM 478 CB TYR A 35 -6.208 3.658 9.412 1.00 0.00 C ATOM 479 CG TYR A 35 -5.951 5.077 9.870 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.422 5.314 11.147 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.246 6.150 9.027 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.189 6.625 11.575 1.00 0.00 C ATOM 483 CE2 TYR A 35 -6.013 7.460 9.456 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.484 7.698 10.730 1.00 0.00 C ATOM 485 OH TYR A 35 -5.255 8.992 11.152 1.00 0.00 O ATOM 0 H TYR A 35 -7.238 3.098 11.682 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.321 4.014 9.114 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.569 2.967 9.962 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.954 3.555 8.357 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.195 4.484 11.800 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.654 5.968 8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.781 6.808 12.558 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.241 8.290 8.803 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.502 9.003 11.779 1.00 0.00 H new ATOM 495 N THR A 36 -8.596 1.850 7.898 1.00 0.00 N ATOM 496 CA THR A 36 -8.904 0.569 7.253 1.00 0.00 C ATOM 497 C THR A 36 -9.112 0.723 5.740 1.00 0.00 C ATOM 498 O THR A 36 -9.495 1.795 5.262 1.00 0.00 O ATOM 499 CB THR A 36 -10.146 -0.071 7.904 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.398 -1.334 7.302 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.374 0.839 7.733 1.00 0.00 C ATOM 0 H THR A 36 -8.912 2.671 7.381 1.00 0.00 H new ATOM 0 HA THR A 36 -8.045 -0.087 7.398 1.00 0.00 H new ATOM 0 HB THR A 36 -9.957 -0.203 8.969 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.548 -1.796 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.241 0.371 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.183 1.801 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.570 0.990 6.671 1.00 0.00 H new ATOM 509 N CYS A 37 -8.908 -0.381 5.006 1.00 0.00 N ATOM 510 CA CYS A 37 -9.128 -0.405 3.553 1.00 0.00 C ATOM 511 C CYS A 37 -10.253 -1.375 3.203 1.00 0.00 C ATOM 512 O CYS A 37 -10.339 -2.470 3.767 1.00 0.00 O ATOM 513 CB CYS A 37 -7.839 -0.787 2.804 1.00 0.00 C ATOM 514 SG CYS A 37 -6.615 0.541 2.980 1.00 0.00 S ATOM 0 H CYS A 37 -8.591 -1.269 5.395 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.417 0.598 3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.438 -1.719 3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.056 -0.957 1.750 1.00 0.00 H new ATOM 519 N MET A 38 -11.141 -0.941 2.301 1.00 0.00 N ATOM 520 CA MET A 38 -12.302 -1.738 1.901 1.00 0.00 C ATOM 521 C MET A 38 -12.243 -2.100 0.432 1.00 0.00 C ATOM 522 O MET A 38 -11.743 -1.329 -0.393 1.00 0.00 O ATOM 523 CB MET A 38 -13.597 -0.971 2.175 1.00 0.00 C ATOM 524 CG MET A 38 -13.744 -0.741 3.673 1.00 0.00 C ATOM 525 SD MET A 38 -15.264 0.184 4.005 1.00 0.00 S ATOM 526 CE MET A 38 -15.158 0.150 5.813 1.00 0.00 C ATOM 0 H MET A 38 -11.075 -0.037 1.833 1.00 0.00 H new ATOM 0 HA MET A 38 -12.286 -2.655 2.490 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.585 -0.016 1.649 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.451 -1.532 1.797 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.767 -1.697 4.196 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.883 -0.191 4.052 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.859 0.872 6.232 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.406 -0.848 6.173 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.145 0.406 6.123 1.00 0.00 H new ATOM 536 N PHE A 39 -12.781 -3.273 0.114 1.00 0.00 N ATOM 537 CA PHE A 39 -12.830 -3.758 -1.257 1.00 0.00 C ATOM 538 C PHE A 39 -14.211 -4.366 -1.549 1.00 0.00 C ATOM 539 O PHE A 39 -14.571 -5.409 -0.995 1.00 0.00 O ATOM 540 CB PHE A 39 -11.722 -4.808 -1.476 1.00 0.00 C ATOM 541 CG PHE A 39 -11.644 -5.192 -2.942 1.00 0.00 C ATOM 542 CD1 PHE A 39 -10.994 -4.349 -3.850 1.00 0.00 C ATOM 543 CD2 PHE A 39 -12.217 -6.389 -3.386 1.00 0.00 C ATOM 544 CE1 PHE A 39 -10.919 -4.701 -5.204 1.00 0.00 C ATOM 545 CE2 PHE A 39 -12.142 -6.742 -4.740 1.00 0.00 C ATOM 546 CZ PHE A 39 -11.494 -5.898 -5.648 1.00 0.00 C ATOM 0 H PHE A 39 -13.193 -3.910 0.796 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.666 -2.925 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.763 -4.409 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.925 -5.692 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.550 -3.426 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.717 -7.041 -2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.418 -4.050 -5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.585 -7.666 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.437 -6.170 -6.692 1.00 0.00 H new ATOM 556 N THR A 40 -14.974 -3.697 -2.421 1.00 0.00 N ATOM 557 CA THR A 40 -16.324 -4.156 -2.797 1.00 0.00 C ATOM 558 C THR A 40 -16.326 -4.594 -4.266 1.00 0.00 C ATOM 559 O THR A 40 -15.798 -3.887 -5.124 1.00 0.00 O ATOM 560 CB THR A 40 -17.348 -3.020 -2.565 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.311 -2.633 -1.198 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.769 -3.499 -2.910 1.00 0.00 C ATOM 0 H THR A 40 -14.683 -2.835 -2.882 1.00 0.00 H new ATOM 0 HA THR A 40 -16.606 -5.007 -2.177 1.00 0.00 H new ATOM 0 HB THR A 40 -17.091 -2.177 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.957 -1.912 -1.045 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.477 -2.688 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.807 -3.802 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.031 -4.347 -2.277 1.00 0.00 H new ATOM 570 N TYR A 41 -16.867 -5.794 -4.535 1.00 0.00 N ATOM 571 CA TYR A 41 -16.852 -6.353 -5.899 1.00 0.00 C ATOM 572 C TYR A 41 -18.058 -7.263 -6.184 1.00 0.00 C ATOM 573 O TYR A 41 -18.668 -7.817 -5.266 1.00 0.00 O ATOM 574 CB TYR A 41 -15.539 -7.146 -6.116 1.00 0.00 C ATOM 575 CG TYR A 41 -15.464 -8.296 -5.120 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.959 -9.559 -5.463 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.929 -8.078 -3.849 1.00 0.00 C ATOM 578 CE1 TYR A 41 -15.915 -10.603 -4.532 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.879 -9.119 -2.922 1.00 0.00 C ATOM 580 CZ TYR A 41 -15.372 -10.382 -3.260 1.00 0.00 C ATOM 581 OH TYR A 41 -15.334 -11.403 -2.338 1.00 0.00 O ATOM 0 H TYR A 41 -17.314 -6.389 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.913 -5.515 -6.593 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.500 -7.531 -7.135 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.680 -6.487 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.375 -9.728 -6.445 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.553 -7.101 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.299 -11.578 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.459 -8.949 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.984 -11.063 -1.488 1.00 0.00 H new ATOM 591 N ALA A 42 -18.318 -7.474 -7.477 1.00 0.00 N ATOM 592 CA ALA A 42 -19.363 -8.391 -7.936 1.00 0.00 C ATOM 593 C ALA A 42 -18.760 -9.349 -8.960 1.00 0.00 C ATOM 594 O ALA A 42 -18.085 -8.907 -9.899 1.00 0.00 O ATOM 595 CB ALA A 42 -20.518 -7.612 -8.566 1.00 0.00 C ATOM 0 H ALA A 42 -17.811 -7.015 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.753 -8.952 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.286 -8.309 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.943 -6.931 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.149 -7.040 -9.418 1.00 0.00 H new ATOM 601 N SER A 43 -18.947 -10.665 -8.745 1.00 0.00 N ATOM 602 CA SER A 43 -18.344 -11.668 -9.628 1.00 0.00 C ATOM 603 C SER A 43 -19.329 -12.756 -10.025 1.00 0.00 C ATOM 604 O SER A 43 -20.250 -13.087 -9.274 1.00 0.00 O ATOM 605 CB SER A 43 -17.145 -12.308 -8.942 1.00 0.00 C ATOM 606 OG SER A 43 -16.211 -11.300 -8.590 1.00 0.00 O ATOM 0 H SER A 43 -19.502 -11.049 -7.980 1.00 0.00 H new ATOM 0 HA SER A 43 -18.033 -11.150 -10.535 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.467 -12.848 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.678 -13.036 -9.605 1.00 0.00 H new ATOM 0 HG SER A 43 -15.312 -11.577 -8.865 1.00 0.00 H new ATOM 612 N GLN A 44 -19.080 -13.346 -11.194 1.00 0.00 N ATOM 613 CA GLN A 44 -19.883 -14.452 -11.702 1.00 0.00 C ATOM 614 C GLN A 44 -18.978 -15.653 -11.995 1.00 0.00 C ATOM 615 O GLN A 44 -17.957 -15.517 -12.676 1.00 0.00 O ATOM 616 CB GLN A 44 -20.614 -14.024 -12.983 1.00 0.00 C ATOM 617 CG GLN A 44 -21.608 -15.113 -13.414 1.00 0.00 C ATOM 618 CD GLN A 44 -22.738 -15.236 -12.392 1.00 0.00 C ATOM 619 OE1 GLN A 44 -22.860 -16.260 -11.722 1.00 0.00 O ATOM 620 NE2 GLN A 44 -23.574 -14.247 -12.237 1.00 0.00 N ATOM 0 H GLN A 44 -18.317 -13.070 -11.812 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.621 -14.733 -10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.142 -13.086 -12.813 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.892 -13.844 -13.780 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.020 -14.872 -14.394 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.092 -16.068 -13.512 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.470 -13.399 -12.794 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.332 -14.321 -11.558 1.00 0.00 H new ATOM 629 N GLY A 45 -19.355 -16.819 -11.462 1.00 0.00 N ATOM 630 CA GLY A 45 -18.578 -18.043 -11.646 1.00 0.00 C ATOM 631 C GLY A 45 -19.071 -19.137 -10.709 1.00 0.00 C ATOM 632 O GLY A 45 -20.036 -18.936 -9.964 1.00 0.00 O ATOM 0 H GLY A 45 -20.197 -16.938 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.658 -18.379 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.523 -17.843 -11.457 1.00 0.00 H new ATOM 636 N GLY A 46 -18.416 -20.304 -10.762 1.00 0.00 N ATOM 637 CA GLY A 46 -18.806 -21.445 -9.923 1.00 0.00 C ATOM 638 C GLY A 46 -17.767 -21.777 -8.831 1.00 0.00 C ATOM 639 O GLY A 46 -17.946 -22.745 -8.082 1.00 0.00 O ATOM 0 H GLY A 46 -17.619 -20.483 -11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.765 -21.230 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.952 -22.321 -10.556 1.00 0.00 H new ATOM 643 N THR A 47 -16.686 -20.980 -8.743 1.00 0.00 N ATOM 644 CA THR A 47 -15.637 -21.212 -7.738 1.00 0.00 C ATOM 645 C THR A 47 -14.991 -19.902 -7.300 1.00 0.00 C ATOM 646 O THR A 47 -14.929 -18.951 -8.073 1.00 0.00 O ATOM 647 CB THR A 47 -14.571 -22.181 -8.290 1.00 0.00 C ATOM 648 OG1 THR A 47 -13.581 -22.413 -7.297 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.913 -21.596 -9.553 1.00 0.00 C ATOM 0 H THR A 47 -16.518 -20.178 -9.350 1.00 0.00 H new ATOM 0 HA THR A 47 -16.103 -21.664 -6.862 1.00 0.00 H new ATOM 0 HB THR A 47 -15.053 -23.122 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.905 -23.030 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.164 -22.293 -9.929 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.673 -21.433 -10.317 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.436 -20.647 -9.308 1.00 0.00 H new ATOM 657 N ASN A 48 -14.516 -19.866 -6.046 1.00 0.00 N ATOM 658 CA ASN A 48 -13.876 -18.668 -5.505 1.00 0.00 C ATOM 659 C ASN A 48 -12.370 -18.669 -5.777 1.00 0.00 C ATOM 660 O ASN A 48 -11.837 -19.618 -6.361 1.00 0.00 O ATOM 661 CB ASN A 48 -14.150 -18.549 -3.995 1.00 0.00 C ATOM 662 CG ASN A 48 -13.551 -19.737 -3.223 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.644 -20.420 -3.709 1.00 0.00 O ATOM 664 ND2 ASN A 48 -14.014 -20.022 -2.036 1.00 0.00 N ATOM 0 H ASN A 48 -14.565 -20.650 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.305 -17.803 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.727 -17.618 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.225 -18.504 -3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.627 -20.807 -1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.763 -19.460 -1.632 1.00 0.00 H new ATOM 671 N GLU A 49 -11.691 -17.592 -5.347 1.00 0.00 N ATOM 672 CA GLU A 49 -10.251 -17.459 -5.541 1.00 0.00 C ATOM 673 C GLU A 49 -9.601 -16.783 -4.348 1.00 0.00 C ATOM 674 O GLU A 49 -10.232 -15.973 -3.659 1.00 0.00 O ATOM 675 CB GLU A 49 -9.955 -16.665 -6.817 1.00 0.00 C ATOM 676 CG GLU A 49 -8.468 -16.777 -7.186 1.00 0.00 C ATOM 677 CD GLU A 49 -8.093 -18.229 -7.498 1.00 0.00 C ATOM 678 OE1 GLU A 49 -7.701 -18.928 -6.578 1.00 0.00 O ATOM 679 OE2 GLU A 49 -8.207 -18.616 -8.649 1.00 0.00 O ATOM 0 H GLU A 49 -12.123 -16.805 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.832 -18.460 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.569 -17.040 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.222 -15.618 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.255 -16.148 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.856 -16.407 -6.364 1.00 0.00 H new ATOM 686 N GLN A 50 -8.338 -17.128 -4.106 1.00 0.00 N ATOM 687 CA GLN A 50 -7.588 -16.566 -2.994 1.00 0.00 C ATOM 688 C GLN A 50 -6.684 -15.437 -3.469 1.00 0.00 C ATOM 689 O GLN A 50 -5.786 -15.645 -4.290 1.00 0.00 O ATOM 690 CB GLN A 50 -6.755 -17.652 -2.322 1.00 0.00 C ATOM 691 CG GLN A 50 -7.690 -18.657 -1.643 1.00 0.00 C ATOM 692 CD GLN A 50 -6.890 -19.842 -1.097 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.896 -20.259 -1.697 1.00 0.00 O ATOM 694 NE2 GLN A 50 -7.266 -20.411 0.015 1.00 0.00 N ATOM 0 H GLN A 50 -7.814 -17.797 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.297 -16.161 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.132 -18.158 -3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.083 -17.209 -1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.231 -18.170 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.435 -19.010 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.088 -20.067 0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.738 -21.200 0.388 1.00 0.00 H new ATOM 703 N TRP A 51 -6.926 -14.249 -2.929 1.00 0.00 N ATOM 704 CA TRP A 51 -6.149 -13.057 -3.263 1.00 0.00 C ATOM 705 C TRP A 51 -5.358 -12.587 -2.057 1.00 0.00 C ATOM 706 O TRP A 51 -5.811 -12.727 -0.916 1.00 0.00 O ATOM 707 CB TRP A 51 -7.077 -11.938 -3.737 1.00 0.00 C ATOM 708 CG TRP A 51 -7.625 -12.265 -5.089 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.471 -13.287 -5.363 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.394 -11.573 -6.350 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.761 -13.270 -6.720 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.122 -12.229 -7.368 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.622 -10.450 -6.703 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.089 -11.785 -8.692 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.587 -9.999 -8.035 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.319 -10.665 -9.028 1.00 0.00 C ATOM 0 H TRP A 51 -7.666 -14.082 -2.247 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.456 -13.311 -4.065 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.893 -11.806 -3.027 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.532 -10.995 -3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.856 -13.996 -4.645 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.371 -13.943 -7.183 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.053 -9.931 -5.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.654 -12.303 -9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.993 -9.135 -8.294 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.289 -10.315 -10.049 1.00 0.00 H new ATOM 727 N GLN A 52 -4.174 -12.031 -2.315 1.00 0.00 N ATOM 728 CA GLN A 52 -3.308 -11.539 -1.247 1.00 0.00 C ATOM 729 C GLN A 52 -3.423 -10.031 -1.121 1.00 0.00 C ATOM 730 O GLN A 52 -3.485 -9.317 -2.130 1.00 0.00 O ATOM 731 CB GLN A 52 -1.838 -11.912 -1.520 1.00 0.00 C ATOM 732 CG GLN A 52 -1.672 -13.442 -1.630 1.00 0.00 C ATOM 733 CD GLN A 52 -2.076 -14.133 -0.324 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.971 -15.083 -0.350 1.00 0.00 O flip ATOM 735 NE2 GLN A 52 -1.558 -13.801 0.742 1.00 0.00 N flip ATOM 0 H GLN A 52 -3.794 -11.911 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.630 -12.007 -0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.503 -11.438 -2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.206 -11.530 -0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.283 -13.820 -2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.636 -13.683 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.859 -13.058 0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.828 -14.268 1.608 1.00 0.00 H new ATOM 744 N MET A 53 -3.420 -9.551 0.121 1.00 0.00 N ATOM 745 CA MET A 53 -3.490 -8.119 0.397 1.00 0.00 C ATOM 746 C MET A 53 -2.269 -7.704 1.176 1.00 0.00 C ATOM 747 O MET A 53 -1.812 -8.441 2.044 1.00 0.00 O ATOM 748 CB MET A 53 -4.743 -7.769 1.215 1.00 0.00 C ATOM 749 CG MET A 53 -6.005 -8.196 0.462 1.00 0.00 C ATOM 750 SD MET A 53 -7.473 -7.720 1.419 1.00 0.00 S ATOM 751 CE MET A 53 -7.433 -5.940 1.078 1.00 0.00 C ATOM 0 H MET A 53 -3.370 -10.136 0.955 1.00 0.00 H new ATOM 0 HA MET A 53 -3.538 -7.590 -0.555 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.704 -8.266 2.184 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.772 -6.697 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.031 -7.726 -0.521 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.997 -9.274 0.300 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.587 -5.388 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.466 -5.673 0.653 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.223 -5.687 0.370 1.00 0.00 H new ATOM 761 N SER A 54 -1.750 -6.522 0.871 1.00 0.00 N ATOM 762 CA SER A 54 -0.576 -6.000 1.560 1.00 0.00 C ATOM 763 C SER A 54 -0.733 -4.521 1.828 1.00 0.00 C ATOM 764 O SER A 54 -1.073 -3.750 0.926 1.00 0.00 O ATOM 765 CB SER A 54 0.679 -6.244 0.731 1.00 0.00 C ATOM 766 OG SER A 54 1.803 -5.690 1.400 1.00 0.00 O ATOM 0 H SER A 54 -2.124 -5.905 0.150 1.00 0.00 H new ATOM 0 HA SER A 54 -0.479 -6.522 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.824 -7.313 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.570 -5.792 -0.255 1.00 0.00 H new ATOM 0 HG SER A 54 2.611 -5.848 0.868 1.00 0.00 H new ATOM 772 N LEU A 55 -0.478 -4.128 3.073 1.00 0.00 N ATOM 773 CA LEU A 55 -0.583 -2.728 3.477 1.00 0.00 C ATOM 774 C LEU A 55 0.664 -2.289 4.218 1.00 0.00 C ATOM 775 O LEU A 55 1.360 -3.113 4.823 1.00 0.00 O ATOM 776 CB LEU A 55 -1.838 -2.507 4.349 1.00 0.00 C ATOM 777 CG LEU A 55 -1.794 -3.411 5.622 1.00 0.00 C ATOM 778 CD1 LEU A 55 -1.078 -2.675 6.769 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.230 -3.754 6.062 1.00 0.00 C ATOM 0 H LEU A 55 -0.196 -4.761 3.822 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.678 -2.120 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.902 -1.459 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.733 -2.731 3.769 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.251 -4.326 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.053 -3.314 7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.059 -2.434 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.615 -1.755 7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.197 -4.385 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.770 -2.835 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.740 -4.285 5.258 1.00 0.00 H new ATOM 791 N GLY A 56 0.948 -0.991 4.155 1.00 0.00 N ATOM 792 CA GLY A 56 2.119 -0.429 4.817 1.00 0.00 C ATOM 793 C GLY A 56 1.868 1.014 5.204 1.00 0.00 C ATOM 794 O GLY A 56 0.992 1.674 4.631 1.00 0.00 O ATOM 0 H GLY A 56 0.382 -0.309 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.357 -1.014 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.982 -0.489 4.155 1.00 0.00 H new ATOM 798 N THR A 57 2.615 1.495 6.200 1.00 0.00 N ATOM 799 CA THR A 57 2.448 2.864 6.691 1.00 0.00 C ATOM 800 C THR A 57 3.791 3.567 6.826 1.00 0.00 C ATOM 801 O THR A 57 4.832 2.921 6.985 1.00 0.00 O ATOM 802 CB THR A 57 1.735 2.859 8.055 1.00 0.00 C ATOM 803 OG1 THR A 57 2.536 2.168 9.004 1.00 0.00 O ATOM 804 CG2 THR A 57 0.371 2.167 7.938 1.00 0.00 C ATOM 0 H THR A 57 3.338 0.960 6.680 1.00 0.00 H new ATOM 0 HA THR A 57 1.842 3.405 5.964 1.00 0.00 H new ATOM 0 HB THR A 57 1.583 3.888 8.380 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.084 2.165 9.874 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.123 2.170 8.910 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.247 2.700 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.512 1.138 7.606 1.00 0.00 H new ATOM 812 N SER A 58 3.746 4.899 6.811 1.00 0.00 N ATOM 813 CA SER A 58 4.940 5.722 6.982 1.00 0.00 C ATOM 814 C SER A 58 5.448 5.616 8.418 1.00 0.00 C ATOM 815 O SER A 58 4.671 5.326 9.332 1.00 0.00 O ATOM 816 CB SER A 58 4.627 7.181 6.649 1.00 0.00 C ATOM 817 OG SER A 58 5.778 7.977 6.898 1.00 0.00 O ATOM 0 H SER A 58 2.887 5.433 6.681 1.00 0.00 H new ATOM 0 HA SER A 58 5.713 5.362 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.327 7.271 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.790 7.532 7.253 1.00 0.00 H new ATOM 0 HG SER A 58 5.872 8.647 6.189 1.00 0.00 H new ATOM 823 N GLU A 59 6.757 5.835 8.608 1.00 0.00 N ATOM 824 CA GLU A 59 7.356 5.760 9.951 1.00 0.00 C ATOM 825 C GLU A 59 6.644 6.722 10.921 1.00 0.00 C ATOM 826 O GLU A 59 6.498 6.423 12.110 1.00 0.00 O ATOM 827 CB GLU A 59 8.863 6.085 9.884 1.00 0.00 C ATOM 828 CG GLU A 59 9.080 7.519 9.347 1.00 0.00 C ATOM 829 CD GLU A 59 10.574 7.860 9.296 1.00 0.00 C ATOM 830 OE1 GLU A 59 11.299 7.430 10.183 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.970 8.549 8.371 1.00 0.00 O ATOM 0 H GLU A 59 7.414 6.062 7.862 1.00 0.00 H new ATOM 0 HA GLU A 59 7.233 4.744 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.307 5.990 10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.368 5.367 9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.648 7.608 8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.561 8.234 9.985 1.00 0.00 H new ATOM 838 N ASP A 60 6.163 7.847 10.381 1.00 0.00 N ATOM 839 CA ASP A 60 5.412 8.834 11.166 1.00 0.00 C ATOM 840 C ASP A 60 3.882 8.640 11.004 1.00 0.00 C ATOM 841 O ASP A 60 3.095 9.425 11.538 1.00 0.00 O ATOM 842 CB ASP A 60 5.800 10.250 10.732 1.00 0.00 C ATOM 843 CG ASP A 60 7.294 10.475 10.950 1.00 0.00 C ATOM 844 OD1 ASP A 60 7.775 10.139 12.021 1.00 0.00 O ATOM 845 OD2 ASP A 60 7.935 10.977 10.042 1.00 0.00 O ATOM 0 H ASP A 60 6.281 8.098 9.399 1.00 0.00 H new ATOM 0 HA ASP A 60 5.664 8.689 12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.552 10.397 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.227 10.983 11.301 1.00 0.00 H new ATOM 850 N HIS A 61 3.478 7.599 10.244 1.00 0.00 N ATOM 851 CA HIS A 61 2.060 7.313 9.987 1.00 0.00 C ATOM 852 C HIS A 61 1.380 8.480 9.255 1.00 0.00 C ATOM 853 O HIS A 61 0.167 8.685 9.372 1.00 0.00 O ATOM 854 CB HIS A 61 1.335 7.002 11.305 1.00 0.00 C ATOM 855 CG HIS A 61 1.896 5.732 11.893 1.00 0.00 C ATOM 856 ND1 HIS A 61 1.175 4.548 11.915 1.00 0.00 N ATOM 857 CD2 HIS A 61 3.111 5.442 12.465 1.00 0.00 C ATOM 858 CE1 HIS A 61 1.955 3.609 12.485 1.00 0.00 C ATOM 859 NE2 HIS A 61 3.145 4.102 12.839 1.00 0.00 N ATOM 0 H HIS A 61 4.121 6.944 9.799 1.00 0.00 H new ATOM 0 HA HIS A 61 2.001 6.438 9.339 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.460 7.827 12.006 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.265 6.893 11.128 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.917 6.147 12.603 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.655 2.583 12.637 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.914 3.603 13.287 1.00 0.00 H new ATOM 867 N GLN A 62 2.175 9.211 8.463 1.00 0.00 N ATOM 868 CA GLN A 62 1.676 10.329 7.663 1.00 0.00 C ATOM 869 C GLN A 62 0.952 9.840 6.396 1.00 0.00 C ATOM 870 O GLN A 62 0.050 10.516 5.894 1.00 0.00 O ATOM 871 CB GLN A 62 2.826 11.289 7.298 1.00 0.00 C ATOM 872 CG GLN A 62 3.912 10.543 6.516 1.00 0.00 C ATOM 873 CD GLN A 62 4.976 11.521 6.027 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.722 12.293 5.007 1.00 0.00 O flip ATOM 875 NE2 GLN A 62 6.066 11.589 6.596 1.00 0.00 N flip ATOM 0 H GLN A 62 3.176 9.043 8.361 1.00 0.00 H new ATOM 0 HA GLN A 62 0.949 10.871 8.268 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.443 12.117 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.251 11.719 8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.370 9.783 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.467 10.024 5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.263 10.985 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.771 12.250 6.270 1.00 0.00 H new ATOM 884 N HIS A 63 1.345 8.651 5.897 1.00 0.00 N ATOM 885 CA HIS A 63 0.717 8.068 4.705 1.00 0.00 C ATOM 886 C HIS A 63 0.338 6.604 4.922 1.00 0.00 C ATOM 887 O HIS A 63 1.086 5.839 5.534 1.00 0.00 O ATOM 888 CB HIS A 63 1.637 8.179 3.482 1.00 0.00 C ATOM 889 CG HIS A 63 1.868 9.622 3.137 1.00 0.00 C ATOM 890 ND1 HIS A 63 2.992 10.405 3.165 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 0.852 10.435 2.661 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 2.683 11.683 2.715 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 1.381 11.645 2.425 1.00 0.00 N flip ATOM 0 H HIS A 63 2.089 8.083 6.301 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.193 8.639 4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.589 7.690 3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.190 7.662 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.178 10.147 2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.352 12.525 2.620 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.852 12.440 2.067 1.00 0.00 H new ATOM 901 N PHE A 64 -0.817 6.223 4.372 1.00 0.00 N ATOM 902 CA PHE A 64 -1.310 4.846 4.444 1.00 0.00 C ATOM 903 C PHE A 64 -1.580 4.317 3.040 1.00 0.00 C ATOM 904 O PHE A 64 -2.213 4.997 2.236 1.00 0.00 O ATOM 905 CB PHE A 64 -2.601 4.798 5.273 1.00 0.00 C ATOM 906 CG PHE A 64 -2.289 5.103 6.723 1.00 0.00 C ATOM 907 CD1 PHE A 64 -2.117 6.428 7.138 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.184 4.062 7.656 1.00 0.00 C ATOM 909 CE1 PHE A 64 -1.836 6.711 8.481 1.00 0.00 C ATOM 910 CE2 PHE A 64 -1.904 4.347 8.998 1.00 0.00 C ATOM 911 CZ PHE A 64 -1.729 5.672 9.409 1.00 0.00 C ATOM 0 H PHE A 64 -1.435 6.858 3.866 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.554 4.222 4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.320 5.520 4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.062 3.814 5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.201 7.233 6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.319 3.038 7.339 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.702 7.734 8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.823 3.544 9.715 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.511 5.892 10.444 1.00 0.00 H new ATOM 921 N THR A 65 -1.090 3.102 2.746 1.00 0.00 N ATOM 922 CA THR A 65 -1.281 2.500 1.415 1.00 0.00 C ATOM 923 C THR A 65 -1.841 1.085 1.525 1.00 0.00 C ATOM 924 O THR A 65 -1.465 0.327 2.430 1.00 0.00 O ATOM 925 CB THR A 65 0.060 2.446 0.653 1.00 0.00 C ATOM 926 OG1 THR A 65 0.968 1.614 1.361 1.00 0.00 O ATOM 927 CG2 THR A 65 0.660 3.852 0.520 1.00 0.00 C ATOM 0 H THR A 65 -0.565 2.523 3.402 1.00 0.00 H new ATOM 0 HA THR A 65 -1.992 3.123 0.873 1.00 0.00 H new ATOM 0 HB THR A 65 -0.118 2.043 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.821 1.576 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.605 3.795 -0.020 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.032 4.493 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.834 4.269 1.512 1.00 0.00 H new ATOM 935 N CYS A 66 -2.683 0.711 0.548 1.00 0.00 N ATOM 936 CA CYS A 66 -3.241 -0.646 0.482 1.00 0.00 C ATOM 937 C CYS A 66 -3.085 -1.224 -0.921 1.00 0.00 C ATOM 938 O CYS A 66 -3.352 -0.540 -1.913 1.00 0.00 O ATOM 939 CB CYS A 66 -4.716 -0.654 0.908 1.00 0.00 C ATOM 940 SG CYS A 66 -4.825 -0.363 2.700 1.00 0.00 S ATOM 0 H CYS A 66 -2.990 1.328 -0.204 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.684 -1.274 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.267 0.117 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.175 -1.610 0.654 1.00 0.00 H new ATOM 945 N THR A 67 -2.623 -2.481 -0.999 1.00 0.00 N ATOM 946 CA THR A 67 -2.400 -3.141 -2.290 1.00 0.00 C ATOM 947 C THR A 67 -3.082 -4.515 -2.325 1.00 0.00 C ATOM 948 O THR A 67 -2.923 -5.321 -1.407 1.00 0.00 O ATOM 949 CB THR A 67 -0.884 -3.284 -2.545 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.279 -1.999 -2.467 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.622 -3.871 -3.948 1.00 0.00 C ATOM 0 H THR A 67 -2.398 -3.056 -0.187 1.00 0.00 H new ATOM 0 HA THR A 67 -2.839 -2.528 -3.078 1.00 0.00 H new ATOM 0 HB THR A 67 -0.463 -3.954 -1.795 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.685 -2.081 -2.626 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.452 -3.964 -4.109 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.087 -4.854 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.046 -3.210 -4.704 1.00 0.00 H new ATOM 959 N ILE A 68 -3.844 -4.764 -3.395 1.00 0.00 N ATOM 960 CA ILE A 68 -4.561 -6.040 -3.567 1.00 0.00 C ATOM 961 C ILE A 68 -4.211 -6.652 -4.932 1.00 0.00 C ATOM 962 O ILE A 68 -4.419 -6.012 -5.968 1.00 0.00 O ATOM 963 CB ILE A 68 -6.096 -5.802 -3.472 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.432 -5.146 -2.111 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.840 -7.152 -3.577 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.873 -4.612 -2.118 1.00 0.00 C ATOM 0 H ILE A 68 -3.983 -4.101 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.259 -6.729 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.408 -5.148 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.311 -5.874 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.736 -4.331 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.914 -6.981 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.606 -7.623 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.525 -7.805 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.096 -4.153 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.982 -3.869 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.565 -5.435 -2.297 1.00 0.00 H new ATOM 978 N TRP A 69 -3.710 -7.903 -4.929 1.00 0.00 N ATOM 979 CA TRP A 69 -3.374 -8.587 -6.189 1.00 0.00 C ATOM 980 C TRP A 69 -3.380 -10.117 -6.033 1.00 0.00 C ATOM 981 O TRP A 69 -3.281 -10.642 -4.920 1.00 0.00 O ATOM 982 CB TRP A 69 -1.996 -8.097 -6.729 1.00 0.00 C ATOM 983 CG TRP A 69 -0.859 -8.615 -5.881 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.078 -9.673 -6.202 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.394 -8.143 -4.593 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.849 -9.864 -5.199 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.693 -8.948 -4.182 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.802 -7.100 -3.750 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.352 -8.727 -2.981 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.139 -6.874 -2.532 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.938 -7.691 -2.151 1.00 0.00 C ATOM 0 H TRP A 69 -3.533 -8.449 -4.086 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.147 -8.331 -6.913 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.867 -8.431 -7.758 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.975 -7.007 -6.743 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.166 -10.270 -7.098 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.562 -10.593 -5.209 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.629 -6.468 -4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.181 -9.356 -2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.459 -6.069 -1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.445 -7.515 -1.214 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.418 -10.809 -7.173 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.348 -12.265 -7.207 1.00 0.00 C ATOM 1004 C ARG A 70 -1.859 -12.713 -7.162 1.00 0.00 C ATOM 1005 O ARG A 70 -1.041 -12.152 -7.900 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.007 -12.787 -8.493 1.00 0.00 C ATOM 1007 CG ARG A 70 -4.041 -14.325 -8.484 1.00 0.00 C ATOM 1008 CD ARG A 70 -5.192 -14.811 -7.598 1.00 0.00 C ATOM 1009 NE ARG A 70 -5.086 -16.264 -7.359 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.329 -17.197 -8.314 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -5.627 -16.852 -9.550 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -5.274 -18.461 -8.000 1.00 0.00 N ATOM 0 H ARG A 70 -3.498 -10.376 -8.093 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.876 -12.672 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.020 -12.394 -8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.455 -12.433 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.167 -14.701 -9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.094 -14.717 -8.114 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.176 -14.278 -6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.146 -14.584 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.816 -16.583 -6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.679 -15.866 -9.806 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.806 -17.571 -10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.050 -18.740 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.455 -19.171 -8.710 1.00 0.00 H new ATOM 1026 N PRO A 71 -1.475 -13.696 -6.309 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.046 -14.143 -6.226 1.00 0.00 C ATOM 1028 C PRO A 71 0.389 -14.807 -7.527 1.00 0.00 C ATOM 1029 O PRO A 71 1.475 -14.533 -8.046 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.044 -15.145 -5.068 1.00 0.00 C ATOM 1031 CG PRO A 71 -1.445 -15.646 -4.987 1.00 0.00 C ATOM 1032 CD PRO A 71 -2.333 -14.475 -5.378 1.00 0.00 C ATOM 0 HA PRO A 71 0.648 -13.318 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.656 -15.960 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.259 -14.669 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.596 -16.491 -5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.678 -15.993 -3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.251 -14.809 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.626 -13.884 -4.510 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.515 -15.615 -8.087 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.292 -16.255 -9.381 1.00 0.00 C ATOM 1042 C GLN A 72 -0.337 -15.221 -10.508 1.00 0.00 C ATOM 1043 O GLN A 72 0.439 -15.292 -11.465 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.327 -17.356 -9.615 1.00 0.00 C ATOM 1045 CG GLN A 72 -1.043 -18.524 -8.661 1.00 0.00 C ATOM 1046 CD GLN A 72 -2.015 -19.670 -8.922 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -3.019 -19.802 -8.228 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -1.772 -20.512 -9.890 1.00 0.00 N ATOM 0 H GLN A 72 -1.413 -15.841 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 72 0.699 -16.709 -9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.332 -16.969 -9.447 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.286 -17.697 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.018 -18.870 -8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.134 -18.189 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.937 -20.400 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.417 -21.281 -10.071 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.244 -14.249 -10.364 1.00 0.00 N ATOM 1058 CA GLY A 73 -1.401 -13.169 -11.342 1.00 0.00 C ATOM 1059 C GLY A 73 -2.609 -13.382 -12.267 1.00 0.00 C ATOM 1060 O GLY A 73 -3.081 -12.424 -12.894 1.00 0.00 O ATOM 0 H GLY A 73 -1.885 -14.189 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.513 -12.221 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.495 -13.094 -11.944 1.00 0.00 H new ATOM 1064 N LYS A 74 -3.111 -14.628 -12.348 1.00 0.00 N ATOM 1065 CA LYS A 74 -4.272 -14.927 -13.201 1.00 0.00 C ATOM 1066 C LYS A 74 -5.279 -15.834 -12.495 1.00 0.00 C ATOM 1067 O LYS A 74 -4.956 -16.961 -12.112 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.819 -15.584 -14.517 1.00 0.00 C ATOM 1069 CG LYS A 74 -2.843 -14.659 -15.290 1.00 0.00 C ATOM 1070 CD LYS A 74 -3.573 -13.408 -15.845 1.00 0.00 C ATOM 1071 CE LYS A 74 -4.513 -13.810 -16.991 1.00 0.00 C ATOM 1072 NZ LYS A 74 -5.137 -12.587 -17.571 1.00 0.00 N ATOM 0 H LYS A 74 -2.737 -15.431 -11.842 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.764 -13.979 -13.418 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.333 -16.536 -14.304 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.688 -15.802 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.034 -14.347 -14.629 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.388 -15.212 -16.112 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.142 -12.927 -15.050 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.844 -12.680 -16.201 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.958 -14.348 -17.760 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.285 -14.486 -16.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.774 -12.857 -18.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.679 -12.091 -16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.394 -11.958 -17.936 1.00 0.00 H new ATOM 1086 N SER A 75 -6.521 -15.349 -12.392 1.00 0.00 N ATOM 1087 CA SER A 75 -7.619 -16.122 -11.807 1.00 0.00 C ATOM 1088 C SER A 75 -8.706 -16.345 -12.851 1.00 0.00 C ATOM 1089 O SER A 75 -9.120 -15.389 -13.521 1.00 0.00 O ATOM 1090 CB SER A 75 -8.218 -15.380 -10.610 1.00 0.00 C ATOM 1091 OG SER A 75 -9.331 -16.113 -10.114 1.00 0.00 O ATOM 0 H SER A 75 -6.791 -14.418 -12.709 1.00 0.00 H new ATOM 0 HA SER A 75 -7.225 -17.082 -11.472 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.468 -15.262 -9.828 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.530 -14.379 -10.907 1.00 0.00 H new ATOM 0 HG SER A 75 -9.128 -17.071 -10.136 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.189 -17.597 -12.980 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.252 -17.882 -13.944 1.00 0.00 C ATOM 1099 C TYR A 76 -11.610 -17.535 -13.332 1.00 0.00 C ATOM 1100 O TYR A 76 -12.303 -18.391 -12.769 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.208 -19.362 -14.362 1.00 0.00 C ATOM 1102 CG TYR A 76 -11.136 -19.588 -15.534 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -10.695 -19.333 -16.837 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -12.440 -20.052 -15.315 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -11.555 -19.541 -17.922 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -13.300 -20.261 -16.400 1.00 0.00 C ATOM 1107 CZ TYR A 76 -12.857 -20.005 -17.703 1.00 0.00 C ATOM 1108 OH TYR A 76 -13.707 -20.209 -18.773 1.00 0.00 O ATOM 0 H TYR A 76 -8.866 -18.401 -12.442 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.102 -17.271 -14.834 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.190 -19.644 -14.632 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.502 -19.995 -13.525 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.690 -18.975 -17.006 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.782 -20.248 -14.309 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.214 -19.343 -18.927 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.305 -20.620 -16.232 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.572 -20.533 -18.446 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.970 -16.263 -13.457 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.231 -15.739 -12.945 1.00 0.00 C ATOM 1120 C LEU A 77 -13.801 -14.686 -13.876 1.00 0.00 C ATOM 1121 O LEU A 77 -13.048 -13.933 -14.508 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.035 -15.144 -11.541 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.153 -16.238 -10.464 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.582 -15.716 -9.138 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.643 -16.601 -10.276 1.00 0.00 C ATOM 0 H LEU A 77 -11.392 -15.562 -13.919 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.938 -16.567 -12.886 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.057 -14.667 -11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.780 -14.369 -11.362 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.594 -17.121 -10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.666 -16.491 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.533 -15.451 -9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.141 -14.835 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.736 -17.375 -9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.196 -15.716 -9.962 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.050 -16.968 -11.218 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.131 -14.579 -13.897 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.801 -13.550 -14.676 1.00 0.00 C ATOM 1139 C TYR A 78 -16.260 -12.436 -13.739 1.00 0.00 C ATOM 1140 O TYR A 78 -17.379 -12.468 -13.216 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.996 -14.149 -15.429 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.556 -13.137 -16.405 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -16.993 -13.008 -17.682 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.637 -12.329 -16.033 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.513 -12.072 -18.584 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.157 -11.394 -16.937 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.595 -11.266 -18.212 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.108 -10.345 -19.104 1.00 0.00 O ATOM 0 H TYR A 78 -15.760 -15.195 -13.382 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.110 -13.139 -15.412 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.686 -15.048 -15.963 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.769 -14.449 -14.721 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.159 -13.630 -17.970 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.070 -12.427 -15.049 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.079 -11.972 -19.568 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.992 -10.772 -16.650 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.050 -10.550 -19.281 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.375 -11.459 -13.518 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.672 -10.342 -12.621 1.00 0.00 C ATOM 1160 C PHE A 79 -16.543 -9.331 -13.317 1.00 0.00 C ATOM 1161 O PHE A 79 -16.138 -8.755 -14.319 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.378 -9.646 -12.175 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.611 -10.516 -11.212 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.655 -11.416 -11.687 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.849 -10.410 -9.837 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.936 -12.211 -10.787 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.133 -11.207 -8.938 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.176 -12.108 -9.414 1.00 0.00 C ATOM 0 H PHE A 79 -14.450 -11.420 -13.947 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.190 -10.743 -11.750 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.760 -9.425 -13.045 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.616 -8.693 -11.702 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.471 -11.499 -12.748 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.587 -9.712 -9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.195 -12.905 -11.154 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.319 -11.126 -7.877 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.622 -12.724 -8.721 1.00 0.00 H new ATOM 1178 N THR A 80 -17.720 -9.077 -12.746 1.00 0.00 N ATOM 1179 CA THR A 80 -18.644 -8.096 -13.304 1.00 0.00 C ATOM 1180 C THR A 80 -18.075 -6.691 -13.095 1.00 0.00 C ATOM 1181 O THR A 80 -18.103 -5.859 -14.006 1.00 0.00 O ATOM 1182 CB THR A 80 -20.028 -8.231 -12.627 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.520 -9.548 -12.832 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.022 -7.227 -13.232 1.00 0.00 C ATOM 0 H THR A 80 -18.054 -9.537 -11.899 1.00 0.00 H new ATOM 0 HA THR A 80 -18.767 -8.273 -14.372 1.00 0.00 H new ATOM 0 HB THR A 80 -19.921 -8.027 -11.562 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.397 -9.640 -12.404 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.991 -7.335 -12.744 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.652 -6.213 -13.082 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.130 -7.420 -14.299 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.520 -6.459 -11.904 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.886 -5.190 -11.578 1.00 0.00 C ATOM 1194 C GLN A 81 -16.160 -5.286 -10.245 1.00 0.00 C ATOM 1195 O GLN A 81 -16.484 -6.147 -9.418 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.923 -4.049 -11.563 1.00 0.00 C ATOM 1197 CG GLN A 81 -19.026 -4.335 -10.529 1.00 0.00 C ATOM 1198 CD GLN A 81 -20.090 -3.242 -10.579 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.787 -2.069 -10.363 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.325 -3.560 -10.856 1.00 0.00 N ATOM 0 H GLN A 81 -17.499 -7.142 -11.147 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.151 -4.963 -12.350 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.431 -3.106 -11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.365 -3.938 -12.553 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.481 -5.305 -10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.594 -4.387 -9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.573 -4.533 -11.035 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.042 -2.835 -10.894 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.188 -4.397 -10.034 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.426 -4.379 -8.782 1.00 0.00 C ATOM 1211 C PHE A 82 -14.193 -2.972 -8.308 1.00 0.00 C ATOM 1212 O PHE A 82 -14.169 -2.033 -9.113 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.101 -5.120 -8.937 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.256 -4.507 -10.041 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.352 -3.480 -9.746 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.383 -4.972 -11.355 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.577 -2.919 -10.767 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.608 -4.413 -12.374 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.705 -3.386 -12.081 1.00 0.00 C ATOM 0 H PHE A 82 -14.910 -3.684 -10.708 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.019 -4.896 -8.027 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.552 -5.090 -7.996 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.292 -6.169 -9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.253 -3.121 -8.732 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.081 -5.764 -11.581 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.880 -2.126 -10.542 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.706 -4.774 -13.387 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.106 -2.953 -12.868 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.106 -2.814 -6.982 1.00 0.00 N ATOM 1230 CA LYS A 83 -13.982 -1.484 -6.391 1.00 0.00 C ATOM 1231 C LYS A 83 -13.114 -1.523 -5.139 1.00 0.00 C ATOM 1232 O LYS A 83 -13.085 -2.532 -4.424 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.382 -0.930 -6.042 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.321 -1.076 -7.259 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.617 -0.304 -7.019 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.547 -0.495 -8.218 1.00 0.00 C ATOM 1237 NZ LYS A 83 -19.816 0.255 -7.992 1.00 0.00 N ATOM 0 H LYS A 83 -14.119 -3.581 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.504 -0.829 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -15.793 -1.467 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.307 0.118 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.827 -0.702 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.543 -2.129 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.101 -0.657 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.402 0.755 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.061 -0.142 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.760 -1.554 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.614 -0.412 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.762 0.763 -7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.958 0.938 -8.764 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.441 -0.404 -4.858 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.597 -0.286 -3.670 1.00 0.00 C ATOM 1253 C ALA A 84 -11.695 1.116 -3.088 1.00 0.00 C ATOM 1254 O ALA A 84 -11.738 2.100 -3.833 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.142 -0.592 -4.022 1.00 0.00 C ATOM 0 H ALA A 84 -12.466 0.434 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.946 -1.005 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.525 -0.500 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.068 -1.607 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.794 0.113 -4.777 1.00 0.00 H new ATOM 1261 N GLU A 85 -11.729 1.201 -1.754 1.00 0.00 N ATOM 1262 CA GLU A 85 -11.821 2.489 -1.071 1.00 0.00 C ATOM 1263 C GLU A 85 -11.191 2.398 0.317 1.00 0.00 C ATOM 1264 O GLU A 85 -10.844 1.311 0.765 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.295 2.947 -0.992 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.130 1.932 -0.189 1.00 0.00 C ATOM 1267 CD GLU A 85 -15.588 2.382 -0.130 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -15.818 3.554 0.125 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.452 1.547 -0.341 1.00 0.00 O ATOM 0 H GLU A 85 -11.694 0.394 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.268 3.235 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.353 3.928 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.705 3.051 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.064 0.947 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.729 1.837 0.820 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.017 3.549 0.977 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.399 3.585 2.316 1.00 0.00 C ATOM 1278 C VAL A 86 -11.246 4.384 3.299 1.00 0.00 C ATOM 1279 O VAL A 86 -12.067 5.209 2.892 1.00 0.00 O ATOM 1280 CB VAL A 86 -8.973 4.171 2.251 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.091 3.276 1.378 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.004 5.587 1.653 1.00 0.00 C ATOM 0 H VAL A 86 -11.291 4.462 0.614 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.340 2.557 2.672 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.568 4.219 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.084 3.691 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.052 2.274 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.508 3.224 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.991 5.988 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.418 5.548 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.625 6.231 2.275 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.032 4.133 4.598 1.00 0.00 N ATOM 1293 CA ARG A 87 -11.770 4.835 5.651 1.00 0.00 C ATOM 1294 C ARG A 87 -10.825 5.353 6.727 1.00 0.00 C ATOM 1295 O ARG A 87 -9.780 4.746 6.998 1.00 0.00 O ATOM 1296 CB ARG A 87 -12.829 3.915 6.278 1.00 0.00 C ATOM 1297 CG ARG A 87 -13.851 3.452 5.210 1.00 0.00 C ATOM 1298 CD ARG A 87 -14.733 4.632 4.752 1.00 0.00 C ATOM 1299 NE ARG A 87 -15.470 5.202 5.900 1.00 0.00 N ATOM 1300 CZ ARG A 87 -16.635 4.684 6.369 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.188 3.624 5.810 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.218 5.246 7.393 1.00 0.00 N ATOM 0 H ARG A 87 -10.356 3.451 4.942 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.273 5.687 5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.345 3.047 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.346 4.441 7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.324 3.031 4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.478 2.660 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.112 5.401 4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.437 4.294 3.992 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.085 6.025 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.740 3.177 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.063 3.251 6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.798 6.065 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.093 4.866 7.754 1.00 0.00 H new ATOM 1316 N GLY A 88 -11.194 6.493 7.322 1.00 0.00 N ATOM 1317 CA GLY A 88 -10.371 7.133 8.357 1.00 0.00 C ATOM 1318 C GLY A 88 -9.240 7.995 7.746 1.00 0.00 C ATOM 1319 O GLY A 88 -8.424 8.561 8.477 1.00 0.00 O ATOM 0 H GLY A 88 -12.057 6.992 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.003 7.758 8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.937 6.367 9.000 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.199 8.076 6.403 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.178 8.838 5.695 1.00 0.00 C ATOM 1325 C ALA A 89 -8.687 9.263 4.321 1.00 0.00 C ATOM 1326 O ALA A 89 -9.674 8.713 3.820 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.915 7.991 5.533 1.00 0.00 C ATOM 0 H ALA A 89 -9.872 7.615 5.790 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.945 9.730 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.156 8.567 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.537 7.710 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.151 7.091 4.964 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.988 10.222 3.706 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.342 10.699 2.372 1.00 0.00 C ATOM 1335 C GLU A 90 -7.375 10.140 1.347 1.00 0.00 C ATOM 1336 O GLU A 90 -6.209 9.907 1.654 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.353 12.234 2.324 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.971 12.808 2.680 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.877 13.151 4.175 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.528 12.488 4.971 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.151 14.076 4.498 1.00 0.00 O ATOM 0 H GLU A 90 -7.174 10.681 4.114 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.347 10.349 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.644 12.568 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.100 12.618 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.197 12.085 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.783 13.703 2.087 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.883 9.883 0.148 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.075 9.290 -0.916 1.00 0.00 C ATOM 1350 C ILE A 91 -6.307 10.340 -1.705 1.00 0.00 C ATOM 1351 O ILE A 91 -6.896 11.269 -2.267 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.943 8.432 -1.870 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.177 9.236 -2.366 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -8.408 7.172 -1.137 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.830 8.519 -3.557 1.00 0.00 C ATOM 0 H ILE A 91 -8.850 10.075 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.347 8.641 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.342 8.155 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.899 9.345 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.872 10.241 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.019 6.566 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.540 6.596 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.997 7.455 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.694 9.091 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.109 8.433 -4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.152 7.524 -3.251 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.986 10.137 -1.800 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.133 11.011 -2.594 1.00 0.00 C ATOM 1369 C GLU A 92 -4.191 10.578 -4.048 1.00 0.00 C ATOM 1370 O GLU A 92 -4.329 11.407 -4.953 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.686 10.929 -2.114 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.555 11.564 -0.727 1.00 0.00 C ATOM 1373 CD GLU A 92 -1.127 11.381 -0.186 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.520 10.354 -0.468 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.660 12.278 0.496 1.00 0.00 O ATOM 0 H GLU A 92 -4.492 9.375 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.487 12.036 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.365 9.888 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.031 11.440 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.797 12.625 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.271 11.109 -0.043 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.117 9.252 -4.258 1.00 0.00 N ATOM 1383 CA TYR A 93 -4.191 8.681 -5.588 1.00 0.00 C ATOM 1384 C TYR A 93 -4.340 7.162 -5.519 1.00 0.00 C ATOM 1385 O TYR A 93 -3.505 6.471 -4.931 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.932 9.045 -6.372 1.00 0.00 C ATOM 1387 CG TYR A 93 -3.125 8.727 -7.836 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -3.777 9.646 -8.666 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.652 7.521 -8.361 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -3.955 9.359 -10.023 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -2.829 7.234 -9.718 1.00 0.00 C ATOM 1392 CZ TYR A 93 -3.481 8.152 -10.550 1.00 0.00 C ATOM 1393 OH TYR A 93 -3.654 7.868 -11.888 1.00 0.00 O ATOM 0 H TYR A 93 -4.006 8.565 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.066 9.088 -6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.710 10.105 -6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.078 8.492 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.143 10.577 -8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.150 6.812 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.458 10.068 -10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.462 6.303 -10.125 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.266 6.991 -12.089 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.394 6.661 -6.150 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.677 5.240 -6.210 1.00 0.00 C ATOM 1405 C ALA A 94 -5.693 4.774 -7.669 1.00 0.00 C ATOM 1406 O ALA A 94 -6.328 5.403 -8.521 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.038 4.964 -5.567 1.00 0.00 C ATOM 0 H ALA A 94 -6.080 7.237 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.902 4.695 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.252 3.896 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.021 5.287 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.812 5.512 -6.105 1.00 0.00 H new ATOM 1413 N MET A 95 -4.965 3.686 -7.951 1.00 0.00 N ATOM 1414 CA MET A 95 -4.865 3.146 -9.307 1.00 0.00 C ATOM 1415 C MET A 95 -4.728 1.625 -9.289 1.00 0.00 C ATOM 1416 O MET A 95 -4.420 1.028 -8.252 1.00 0.00 O ATOM 1417 CB MET A 95 -3.672 3.782 -10.053 1.00 0.00 C ATOM 1418 CG MET A 95 -2.362 3.503 -9.295 1.00 0.00 C ATOM 1419 SD MET A 95 -0.976 4.279 -10.163 1.00 0.00 S ATOM 1420 CE MET A 95 0.298 3.900 -8.933 1.00 0.00 C ATOM 0 H MET A 95 -4.436 3.163 -7.253 1.00 0.00 H new ATOM 0 HA MET A 95 -5.785 3.395 -9.835 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.609 3.379 -11.064 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.824 4.857 -10.148 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.429 3.890 -8.278 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.198 2.428 -9.216 1.00 0.00 H new ATOM 0 HE1 MET A 95 1.274 4.199 -9.316 1.00 0.00 H new ATOM 0 HE2 MET A 95 0.087 4.443 -8.012 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.301 2.829 -8.730 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.964 1.013 -10.447 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.879 -0.437 -10.595 1.00 0.00 C ATOM 1432 C ALA A 96 -4.129 -0.789 -11.868 1.00 0.00 C ATOM 1433 O ALA A 96 -4.109 0.002 -12.811 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.284 -1.034 -10.641 1.00 0.00 C ATOM 0 H ALA A 96 -5.218 1.505 -11.304 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.340 -0.849 -9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.216 -2.116 -10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.811 -0.796 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.829 -0.616 -11.487 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.492 -1.970 -11.888 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.726 -2.404 -13.072 1.00 0.00 C ATOM 1442 C TYR A 97 -3.292 -3.685 -13.681 1.00 0.00 C ATOM 1443 O TYR A 97 -3.218 -4.755 -13.076 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.253 -2.622 -12.711 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.610 -1.309 -12.272 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.127 -1.164 -10.963 1.00 0.00 C ATOM 1447 CD2 TYR A 97 -0.485 -0.245 -13.181 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.476 0.038 -10.568 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.115 0.955 -12.780 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.595 1.095 -11.476 1.00 0.00 C ATOM 1451 OH TYR A 97 1.190 2.277 -11.082 1.00 0.00 O ATOM 0 H TYR A 97 -3.490 -2.633 -11.113 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.809 -1.608 -13.812 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.174 -3.358 -11.911 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.718 -3.026 -13.570 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.220 -1.978 -10.260 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.852 -0.353 -14.191 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.849 0.148 -9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.207 1.773 -13.480 1.00 0.00 H new ATOM 0 HH TYR A 97 0.540 3.007 -11.145 1.00 0.00 H new ATOM 1461 N SER A 98 -3.823 -3.569 -14.908 1.00 0.00 N ATOM 1462 CA SER A 98 -4.361 -4.727 -15.635 1.00 0.00 C ATOM 1463 C SER A 98 -3.254 -5.688 -16.027 1.00 0.00 C ATOM 1464 O SER A 98 -3.429 -6.911 -15.977 1.00 0.00 O ATOM 1465 CB SER A 98 -5.080 -4.271 -16.897 1.00 0.00 C ATOM 1466 OG SER A 98 -6.210 -3.504 -16.539 1.00 0.00 O ATOM 0 H SER A 98 -3.891 -2.687 -15.416 1.00 0.00 H new ATOM 0 HA SER A 98 -5.060 -5.236 -14.971 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.408 -3.680 -17.519 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.385 -5.135 -17.488 1.00 0.00 H new ATOM 0 HG SER A 98 -6.583 -3.843 -15.699 1.00 0.00 H new ATOM 1472 N LYS A 99 -2.129 -5.122 -16.471 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.996 -5.917 -16.942 1.00 0.00 C ATOM 1474 C LYS A 99 0.300 -5.442 -16.305 1.00 0.00 C ATOM 1475 O LYS A 99 0.614 -4.247 -16.329 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.890 -5.809 -18.472 1.00 0.00 C ATOM 1477 CG LYS A 99 0.136 -6.824 -19.014 1.00 0.00 C ATOM 1478 CD LYS A 99 -0.455 -8.248 -19.009 1.00 0.00 C ATOM 1479 CE LYS A 99 -1.485 -8.389 -20.140 1.00 0.00 C ATOM 1480 NZ LYS A 99 -1.937 -9.806 -20.227 1.00 0.00 N ATOM 0 H LYS A 99 -1.980 -4.114 -16.514 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.160 -6.956 -16.657 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.865 -5.992 -18.924 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.593 -4.798 -18.752 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.427 -6.549 -20.028 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.039 -6.797 -18.404 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.341 -8.982 -19.136 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.927 -8.452 -18.048 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.337 -7.735 -19.954 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.045 -8.078 -21.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.634 -9.902 -20.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.121 -10.419 -20.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.372 -10.088 -19.325 1.00 0.00 H new ATOM 1494 N ALA A 100 1.064 -6.393 -15.766 1.00 0.00 N ATOM 1495 CA ALA A 100 2.351 -6.087 -15.152 1.00 0.00 C ATOM 1496 C ALA A 100 3.429 -6.002 -16.221 1.00 0.00 C ATOM 1497 O ALA A 100 3.467 -6.827 -17.141 1.00 0.00 O ATOM 1498 CB ALA A 100 2.720 -7.159 -14.126 1.00 0.00 C ATOM 0 H ALA A 100 0.811 -7.381 -15.744 1.00 0.00 H new ATOM 0 HA ALA A 100 2.275 -5.126 -14.643 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.683 -6.916 -13.677 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.956 -7.197 -13.349 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.784 -8.129 -14.620 1.00 0.00 H new ATOM 1599 N ASP A 107 3.948 -1.678 -18.528 1.00 0.00 N ATOM 1600 CA ASP A 107 2.896 -1.828 -17.513 1.00 0.00 C ATOM 1601 C ASP A 107 1.654 -1.023 -17.910 1.00 0.00 C ATOM 1602 O ASP A 107 1.717 0.206 -18.020 1.00 0.00 O ATOM 1603 CB ASP A 107 3.420 -1.350 -16.152 1.00 0.00 C ATOM 1604 CG ASP A 107 2.356 -1.516 -15.082 1.00 0.00 C ATOM 1605 OD1 ASP A 107 1.965 -2.643 -14.826 1.00 0.00 O ATOM 1606 OD2 ASP A 107 1.955 -0.513 -14.526 1.00 0.00 O ATOM 0 HA ASP A 107 2.619 -2.880 -17.442 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.310 -1.917 -15.879 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.717 -0.303 -16.218 1.00 0.00 H new ATOM 1611 N VAL A 108 0.534 -1.727 -18.160 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.709 -1.062 -18.592 1.00 0.00 C ATOM 1613 C VAL A 108 -1.644 -0.781 -17.367 1.00 0.00 C ATOM 1614 O VAL A 108 -2.234 -1.719 -16.823 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.449 -1.959 -19.627 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.731 -1.267 -20.117 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.536 -2.223 -20.837 1.00 0.00 C ATOM 0 H VAL A 108 0.464 -2.741 -18.072 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.451 -0.109 -19.053 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.707 -2.900 -19.142 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.236 -1.907 -20.840 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.392 -1.084 -19.270 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.475 -0.319 -20.589 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.060 -2.851 -21.558 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.271 -1.276 -21.306 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.370 -2.729 -20.505 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.822 0.502 -16.944 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.734 0.852 -15.808 1.00 0.00 C ATOM 1629 C PRO A 109 -4.193 1.012 -16.252 1.00 0.00 C ATOM 1630 O PRO A 109 -4.467 1.409 -17.389 1.00 0.00 O ATOM 1631 CB PRO A 109 -2.180 2.187 -15.332 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.702 2.854 -16.580 1.00 0.00 C ATOM 1633 CD PRO A 109 -1.176 1.736 -17.490 1.00 0.00 C ATOM 0 HA PRO A 109 -2.756 0.075 -15.044 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.946 2.780 -14.832 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.368 2.049 -14.618 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.512 3.401 -17.064 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.917 3.577 -16.359 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.451 1.905 -18.531 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.089 1.668 -17.454 1.00 0.00 H new ATOM 1641 N LEU A 110 -5.115 0.779 -15.313 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.548 0.979 -15.559 1.00 0.00 C ATOM 1643 C LEU A 110 -6.906 2.459 -15.498 1.00 0.00 C ATOM 1644 O LEU A 110 -6.242 3.239 -14.809 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.394 0.204 -14.539 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.351 -1.301 -14.844 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.928 -2.076 -13.652 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -8.201 -1.593 -16.097 1.00 0.00 C ATOM 0 H LEU A 110 -4.895 0.451 -14.373 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.766 0.601 -16.558 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.021 0.389 -13.532 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.424 0.558 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.320 -1.609 -15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.899 -3.145 -13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.336 -1.867 -12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.960 -1.767 -13.482 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.172 -2.660 -16.316 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.232 -1.287 -15.917 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.801 -1.038 -16.946 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.947 2.840 -16.245 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.388 4.233 -16.307 1.00 0.00 C ATOM 1662 C LYS A 111 -9.398 4.565 -15.193 1.00 0.00 C ATOM 1663 O LYS A 111 -10.121 3.688 -14.711 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.992 4.536 -17.700 1.00 0.00 C ATOM 1665 CG LYS A 111 -10.297 3.731 -17.914 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.773 3.886 -19.366 1.00 0.00 C ATOM 1667 CE LYS A 111 -9.911 3.015 -20.289 1.00 0.00 C ATOM 1668 NZ LYS A 111 -10.420 3.113 -21.686 1.00 0.00 N ATOM 0 H LYS A 111 -8.500 2.200 -16.816 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.516 4.867 -16.150 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.197 5.603 -17.789 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.271 4.284 -18.478 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.127 2.678 -17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.069 4.083 -17.229 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.820 3.595 -19.449 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.708 4.931 -19.671 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.871 3.340 -20.246 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.935 1.978 -19.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.835 2.522 -22.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.406 2.783 -21.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.375 4.102 -22.003 1.00 0.00 H new ATOM 1682 N THR A 112 -9.469 5.849 -14.845 1.00 0.00 N ATOM 1683 CA THR A 112 -10.421 6.345 -13.846 1.00 0.00 C ATOM 1684 C THR A 112 -11.865 6.137 -14.348 1.00 0.00 C ATOM 1685 O THR A 112 -12.773 5.846 -13.568 1.00 0.00 O ATOM 1686 CB THR A 112 -10.156 7.843 -13.567 1.00 0.00 C ATOM 1687 OG1 THR A 112 -8.818 8.001 -13.111 1.00 0.00 O ATOM 1688 CG2 THR A 112 -11.116 8.366 -12.484 1.00 0.00 C ATOM 0 H THR A 112 -8.872 6.574 -15.244 1.00 0.00 H new ATOM 0 HA THR A 112 -10.291 5.788 -12.918 1.00 0.00 H new ATOM 0 HB THR A 112 -10.314 8.407 -14.486 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.643 8.949 -12.934 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.916 9.422 -12.300 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.145 8.245 -12.821 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.967 7.802 -11.563 1.00 0.00 H new ATOM 1696 N GLU A 113 -12.052 6.340 -15.652 1.00 0.00 N ATOM 1697 CA GLU A 113 -13.360 6.239 -16.296 1.00 0.00 C ATOM 1698 C GLU A 113 -14.032 4.882 -16.032 1.00 0.00 C ATOM 1699 O GLU A 113 -15.248 4.769 -16.157 1.00 0.00 O ATOM 1700 CB GLU A 113 -13.188 6.437 -17.800 1.00 0.00 C ATOM 1701 CG GLU A 113 -14.556 6.596 -18.470 1.00 0.00 C ATOM 1702 CD GLU A 113 -14.381 6.820 -19.969 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -13.830 5.947 -20.618 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -14.804 7.861 -20.446 1.00 0.00 O ATOM 0 H GLU A 113 -11.296 6.580 -16.294 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.004 7.011 -15.875 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.576 7.319 -17.991 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.661 5.585 -18.229 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -15.161 5.706 -18.295 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.091 7.437 -18.028 1.00 0.00 H new ATOM 1711 N GLU A 114 -13.234 3.856 -15.719 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.768 2.509 -15.480 1.00 0.00 C ATOM 1713 C GLU A 114 -14.702 2.503 -14.260 1.00 0.00 C ATOM 1714 O GLU A 114 -15.731 1.817 -14.262 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.606 1.518 -15.251 1.00 0.00 C ATOM 1716 CG GLU A 114 -13.150 0.079 -15.064 1.00 0.00 C ATOM 1717 CD GLU A 114 -12.013 -0.930 -14.780 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.869 -0.510 -14.637 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -12.310 -2.111 -14.709 1.00 0.00 O ATOM 0 H GLU A 114 -12.221 3.930 -15.625 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.339 2.204 -16.357 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.922 1.547 -16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.035 1.815 -14.371 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.864 0.064 -14.240 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.691 -0.225 -15.960 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.313 3.236 -13.214 1.00 0.00 N ATOM 1727 CA PHE A 115 -15.099 3.279 -11.968 1.00 0.00 C ATOM 1728 C PHE A 115 -14.743 4.492 -11.105 1.00 0.00 C ATOM 1729 O PHE A 115 -13.741 5.169 -11.348 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.919 1.972 -11.165 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.458 1.769 -10.797 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.963 2.287 -9.596 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.609 1.062 -11.658 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.618 2.099 -9.254 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -11.264 0.874 -11.315 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.769 1.392 -10.113 1.00 0.00 C ATOM 0 H PHE A 115 -13.467 3.805 -13.199 1.00 0.00 H new ATOM 0 HA PHE A 115 -16.147 3.377 -12.251 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.526 2.008 -10.260 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -15.273 1.125 -11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.618 2.832 -8.932 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.991 0.662 -12.586 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.236 2.500 -8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.609 0.329 -11.978 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.732 1.246 -9.848 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.585 4.755 -10.099 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.388 5.883 -9.186 1.00 0.00 C ATOM 1748 C GLU A 116 -15.189 5.403 -7.744 1.00 0.00 C ATOM 1749 O GLU A 116 -15.976 4.606 -7.226 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.600 6.850 -9.284 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.538 7.953 -8.189 1.00 0.00 C ATOM 1752 CD GLU A 116 -17.501 9.095 -8.520 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -18.592 8.812 -8.993 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -17.133 10.236 -8.292 1.00 0.00 O ATOM 0 H GLU A 116 -16.414 4.197 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.483 6.415 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.617 7.315 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.527 6.285 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.792 7.525 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.521 8.338 -8.111 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.165 5.960 -7.091 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.889 5.668 -5.687 1.00 0.00 C ATOM 1763 C VAL A 117 -13.741 6.970 -4.895 1.00 0.00 C ATOM 1764 O VAL A 117 -13.105 7.922 -5.358 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.612 4.806 -5.545 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.824 3.462 -6.244 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.406 5.524 -6.180 1.00 0.00 C ATOM 0 H VAL A 117 -13.513 6.618 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.729 5.103 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.412 4.647 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.925 2.854 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.666 2.942 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.033 3.630 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.516 4.905 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.601 5.697 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.247 6.479 -5.680 1.00 0.00 H new ATOM 1777 N THR A 118 -14.318 6.988 -3.698 1.00 0.00 N ATOM 1778 CA THR A 118 -14.250 8.156 -2.811 1.00 0.00 C ATOM 1779 C THR A 118 -13.811 7.750 -1.421 1.00 0.00 C ATOM 1780 O THR A 118 -13.790 6.561 -1.085 1.00 0.00 O ATOM 1781 CB THR A 118 -15.598 8.890 -2.740 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.590 8.028 -2.220 1.00 0.00 O ATOM 1783 CG2 THR A 118 -16.006 9.373 -4.129 1.00 0.00 C ATOM 0 H THR A 118 -14.843 6.203 -3.313 1.00 0.00 H new ATOM 0 HA THR A 118 -13.512 8.839 -3.231 1.00 0.00 H new ATOM 0 HB THR A 118 -15.495 9.753 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.305 7.097 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.963 9.892 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.248 10.055 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.099 8.518 -4.799 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.442 8.745 -0.628 1.00 0.00 N ATOM 1792 CA LYS A 119 -12.968 8.521 0.736 1.00 0.00 C ATOM 1793 C LYS A 119 -13.992 7.753 1.587 1.00 0.00 C ATOM 1794 O LYS A 119 -13.625 7.150 2.601 1.00 0.00 O ATOM 1795 CB LYS A 119 -12.638 9.869 1.405 1.00 0.00 C ATOM 1796 CG LYS A 119 -13.901 10.760 1.466 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.558 12.119 2.100 1.00 0.00 C ATOM 1798 CE LYS A 119 -13.344 11.954 3.613 1.00 0.00 C ATOM 1799 NZ LYS A 119 -13.113 13.290 4.230 1.00 0.00 N ATOM 0 H LYS A 119 -13.461 9.726 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.069 7.909 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.255 9.699 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.852 10.378 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.300 10.908 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.678 10.264 2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.659 12.528 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.363 12.830 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.215 11.479 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.491 11.302 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -12.968 13.179 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.270 13.727 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.940 13.898 4.061 1.00 0.00 H new ATOM 1813 N THR A 120 -15.277 7.806 1.191 1.00 0.00 N ATOM 1814 CA THR A 120 -16.333 7.131 1.961 1.00 0.00 C ATOM 1815 C THR A 120 -17.510 6.667 1.082 1.00 0.00 C ATOM 1816 O THR A 120 -18.637 6.518 1.574 1.00 0.00 O ATOM 1817 CB THR A 120 -16.833 8.053 3.093 1.00 0.00 C ATOM 1818 OG1 THR A 120 -17.825 7.375 3.851 1.00 0.00 O ATOM 1819 CG2 THR A 120 -17.425 9.345 2.509 1.00 0.00 C ATOM 0 H THR A 120 -15.603 8.299 0.360 1.00 0.00 H new ATOM 0 HA THR A 120 -15.892 6.231 2.390 1.00 0.00 H new ATOM 0 HB THR A 120 -15.992 8.312 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.548 7.084 3.257 1.00 0.00 H new ATOM 0 HG21 THR A 120 -17.773 9.985 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.660 9.869 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.262 9.099 1.856 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.244 6.438 -0.213 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.294 5.991 -1.141 1.00 0.00 C ATOM 1829 C ALA A 121 -17.702 5.360 -2.402 1.00 0.00 C ATOM 1830 O ALA A 121 -16.540 5.596 -2.740 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.198 7.170 -1.523 1.00 0.00 C ATOM 0 H ALA A 121 -16.324 6.553 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.884 5.230 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -19.972 6.828 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -19.664 7.577 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -18.602 7.945 -2.005 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.522 4.569 -3.101 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.100 3.925 -4.354 1.00 0.00 C ATOM 1839 C VAL A 122 -19.175 4.055 -5.420 1.00 0.00 C ATOM 1840 O VAL A 122 -20.366 4.152 -5.101 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.766 2.438 -4.128 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -16.589 2.324 -3.176 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -18.977 1.699 -3.529 1.00 0.00 C ATOM 0 H VAL A 122 -19.480 4.358 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.201 4.436 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.515 1.985 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -16.352 1.272 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -15.724 2.830 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.845 2.788 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -18.724 0.650 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -19.243 2.151 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -19.823 1.772 -4.213 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.752 4.013 -6.689 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.689 4.082 -7.801 1.00 0.00 C ATOM 1855 C ALA A 123 -19.113 3.409 -9.046 1.00 0.00 C ATOM 1856 O ALA A 123 -17.893 3.348 -9.221 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.064 5.539 -8.103 1.00 0.00 C ATOM 0 H ALA A 123 -17.773 3.932 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.592 3.545 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.765 5.569 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.528 5.985 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.166 6.099 -8.363 1.00 0.00 H new ATOM 1863 N HIS A 124 -20.007 2.918 -9.912 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.604 2.260 -11.153 1.00 0.00 C ATOM 1865 C HIS A 124 -19.807 3.192 -12.345 1.00 0.00 C ATOM 1866 O HIS A 124 -20.687 4.060 -12.324 1.00 0.00 O ATOM 1867 CB HIS A 124 -20.393 0.944 -11.354 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.883 1.222 -11.444 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.662 1.450 -10.321 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.733 1.319 -12.518 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.923 1.670 -10.741 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -24.021 1.601 -12.071 1.00 0.00 N ATOM 0 H HIS A 124 -21.016 2.966 -9.772 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.544 2.017 -11.082 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -20.055 0.446 -12.263 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -20.194 0.264 -10.526 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -22.446 1.195 -13.552 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.753 1.877 -10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.860 1.728 -12.638 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.988 3.005 -13.379 1.00 0.00 N ATOM 1881 CA ARG A 125 -19.067 3.823 -14.587 1.00 0.00 C ATOM 1882 C ARG A 125 -19.506 2.969 -15.799 1.00 0.00 C ATOM 1883 O ARG A 125 -19.162 1.785 -15.867 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.700 4.457 -14.868 1.00 0.00 C ATOM 1885 CG ARG A 125 -17.300 5.415 -13.724 1.00 0.00 C ATOM 1886 CD ARG A 125 -18.162 6.691 -13.764 1.00 0.00 C ATOM 1887 NE ARG A 125 -17.977 7.403 -15.047 1.00 0.00 N ATOM 1888 CZ ARG A 125 -16.955 8.267 -15.277 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -16.051 8.526 -14.351 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -16.865 8.855 -16.438 1.00 0.00 N ATOM 0 H ARG A 125 -18.260 2.291 -13.403 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.809 4.606 -14.430 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.947 3.677 -14.977 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.733 5.002 -15.811 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.424 4.915 -12.763 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.246 5.678 -13.813 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -19.213 6.431 -13.634 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.891 7.346 -12.936 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.650 7.237 -15.795 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -16.111 8.073 -13.439 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -15.292 9.179 -14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.558 8.664 -17.162 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -16.102 9.506 -16.622 1.00 0.00 H new ATOM 1904 N PRO A 126 -20.238 3.546 -16.785 1.00 0.00 N ATOM 1905 CA PRO A 126 -20.667 2.784 -18.007 1.00 0.00 C ATOM 1906 C PRO A 126 -19.464 2.226 -18.765 1.00 0.00 C ATOM 1907 O PRO A 126 -18.405 2.864 -18.815 1.00 0.00 O ATOM 1908 CB PRO A 126 -21.398 3.835 -18.857 1.00 0.00 C ATOM 1909 CG PRO A 126 -21.838 4.874 -17.884 1.00 0.00 C ATOM 1910 CD PRO A 126 -20.735 4.952 -16.840 1.00 0.00 C ATOM 0 HA PRO A 126 -21.289 1.924 -17.761 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.739 4.258 -19.616 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -22.248 3.398 -19.381 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -21.980 5.836 -18.376 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -22.791 4.605 -17.428 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.949 5.648 -17.132 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -21.114 5.286 -15.874 1.00 0.00 H new ATOM 1918 N GLY A 127 -19.630 1.033 -19.346 1.00 0.00 N ATOM 1919 CA GLY A 127 -18.547 0.386 -20.097 1.00 0.00 C ATOM 1920 C GLY A 127 -17.548 -0.336 -19.172 1.00 0.00 C ATOM 1921 O GLY A 127 -16.449 -0.700 -19.606 1.00 0.00 O ATOM 0 H GLY A 127 -20.498 0.498 -19.312 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.972 -0.331 -20.800 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -18.018 1.135 -20.686 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.934 -0.534 -17.899 1.00 0.00 N ATOM 1926 CA ALA A 128 -17.076 -1.201 -16.923 1.00 0.00 C ATOM 1927 C ALA A 128 -16.685 -2.592 -17.411 1.00 0.00 C ATOM 1928 O ALA A 128 -17.420 -3.223 -18.176 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.791 -1.306 -15.575 1.00 0.00 C ATOM 0 H ALA A 128 -18.837 -0.238 -17.529 1.00 0.00 H new ATOM 0 HA ALA A 128 -16.170 -0.607 -16.802 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -17.141 -1.805 -14.856 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -18.033 -0.307 -15.213 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.709 -1.881 -15.694 1.00 0.00 H new ATOM 1935 N PHE A 129 -15.508 -3.049 -16.978 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.982 -4.359 -17.384 1.00 0.00 C ATOM 1937 C PHE A 129 -15.785 -5.491 -16.763 1.00 0.00 C ATOM 1938 O PHE A 129 -16.239 -5.388 -15.622 1.00 0.00 O ATOM 1939 CB PHE A 129 -13.515 -4.489 -16.976 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.653 -3.627 -17.874 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -12.491 -2.270 -17.592 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -12.015 -4.191 -18.985 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.693 -1.470 -18.418 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -11.215 -3.393 -19.814 1.00 0.00 C ATOM 1945 CZ PHE A 129 -11.055 -2.033 -19.529 1.00 0.00 C ATOM 0 H PHE A 129 -14.898 -2.532 -16.345 1.00 0.00 H new ATOM 0 HA PHE A 129 -15.066 -4.430 -18.468 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -13.389 -4.186 -15.937 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -13.200 -5.530 -17.045 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.983 -1.836 -16.734 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -12.139 -5.241 -19.203 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.570 -0.420 -18.198 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.723 -3.827 -20.672 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.439 -1.417 -20.167 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.959 -6.578 -17.532 1.00 0.00 N ATOM 1956 CA LYS A 130 -16.721 -7.750 -17.058 1.00 0.00 C ATOM 1957 C LYS A 130 -15.897 -9.046 -17.144 1.00 0.00 C ATOM 1958 O LYS A 130 -16.192 -10.022 -16.448 1.00 0.00 O ATOM 1959 CB LYS A 130 -18.017 -7.914 -17.854 1.00 0.00 C ATOM 1960 CG LYS A 130 -18.876 -6.649 -17.702 1.00 0.00 C ATOM 1961 CD LYS A 130 -20.135 -6.743 -18.582 1.00 0.00 C ATOM 1962 CE LYS A 130 -21.119 -7.769 -17.994 1.00 0.00 C ATOM 1963 NZ LYS A 130 -22.364 -7.789 -18.812 1.00 0.00 N ATOM 0 H LYS A 130 -15.587 -6.672 -18.477 1.00 0.00 H new ATOM 0 HA LYS A 130 -16.960 -7.568 -16.010 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.791 -8.088 -18.906 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -18.567 -8.785 -17.498 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -19.163 -6.521 -16.658 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -18.294 -5.771 -17.982 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -20.614 -5.766 -18.650 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.858 -7.033 -19.596 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.664 -8.759 -17.981 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -21.354 -7.513 -16.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -23.029 -8.483 -18.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -22.801 -6.845 -18.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -22.132 -8.053 -19.791 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.881 -9.056 -18.021 1.00 0.00 N ATOM 1978 CA ALA A 131 -14.023 -10.239 -18.203 1.00 0.00 C ATOM 1979 C ALA A 131 -12.529 -9.910 -18.008 1.00 0.00 C ATOM 1980 O ALA A 131 -11.666 -10.726 -18.346 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.240 -10.837 -19.596 1.00 0.00 C ATOM 0 H ALA A 131 -14.634 -8.263 -18.613 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.306 -10.964 -17.440 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.601 -11.711 -19.720 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.284 -11.132 -19.707 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.990 -10.094 -20.354 1.00 0.00 H new ATOM 1987 N GLU A 132 -12.230 -8.704 -17.484 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.837 -8.276 -17.279 1.00 0.00 C ATOM 1989 C GLU A 132 -10.470 -8.284 -15.783 1.00 0.00 C ATOM 1990 O GLU A 132 -11.215 -7.767 -14.946 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.628 -6.872 -17.890 1.00 0.00 C ATOM 1992 CG GLU A 132 -9.156 -6.414 -17.725 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.187 -7.354 -18.475 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.621 -8.028 -19.404 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.025 -7.380 -18.106 1.00 0.00 O ATOM 0 H GLU A 132 -12.928 -8.018 -17.199 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.176 -8.982 -17.782 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.893 -6.887 -18.947 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -11.293 -6.157 -17.405 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.045 -5.398 -18.103 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.897 -6.391 -16.667 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.307 -8.877 -15.469 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.818 -8.962 -14.085 1.00 0.00 C ATOM 2004 C LEU A 133 -7.627 -8.024 -13.883 1.00 0.00 C ATOM 2005 O LEU A 133 -6.821 -7.829 -14.800 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.399 -10.409 -13.760 1.00 0.00 C ATOM 2007 CG LEU A 133 -9.627 -11.246 -13.356 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -10.470 -11.567 -14.597 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -9.159 -12.556 -12.710 1.00 0.00 C ATOM 0 H LEU A 133 -8.687 -9.305 -16.157 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.623 -8.662 -13.414 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.915 -10.858 -14.627 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.668 -10.410 -12.951 1.00 0.00 H new ATOM 0 HG LEU A 133 -10.230 -10.679 -12.647 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.337 -12.159 -14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.804 -10.639 -15.060 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.868 -12.132 -15.309 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.026 -13.150 -12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.554 -13.117 -13.422 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.563 -12.333 -11.825 1.00 0.00 H new ATOM 2021 N SER A 134 -7.538 -7.424 -12.686 1.00 0.00 N ATOM 2022 CA SER A 134 -6.461 -6.477 -12.378 1.00 0.00 C ATOM 2023 C SER A 134 -6.213 -6.375 -10.874 1.00 0.00 C ATOM 2024 O SER A 134 -6.984 -6.902 -10.070 1.00 0.00 O ATOM 2025 CB SER A 134 -6.805 -5.099 -12.938 1.00 0.00 C ATOM 2026 OG SER A 134 -5.761 -4.189 -12.625 1.00 0.00 O ATOM 0 H SER A 134 -8.195 -7.578 -11.921 1.00 0.00 H new ATOM 0 HA SER A 134 -5.548 -6.848 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.941 -5.157 -14.018 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.747 -4.748 -12.517 1.00 0.00 H new ATOM 0 HG SER A 134 -5.777 -3.442 -13.260 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.132 -5.667 -10.506 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.777 -5.463 -9.092 1.00 0.00 C ATOM 2034 C LYS A 135 -4.884 -3.991 -8.732 1.00 0.00 C ATOM 2035 O LYS A 135 -4.687 -3.122 -9.584 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.339 -5.953 -8.785 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.315 -5.363 -9.795 1.00 0.00 C ATOM 2038 CD LYS A 135 -2.117 -6.318 -10.989 1.00 0.00 C ATOM 2039 CE LYS A 135 -1.267 -7.517 -10.559 1.00 0.00 C ATOM 2040 NZ LYS A 135 -0.979 -8.372 -11.745 1.00 0.00 N ATOM 0 H LYS A 135 -4.491 -5.228 -11.166 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.477 -6.047 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.062 -5.663 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.307 -7.042 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.665 -4.394 -10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -1.361 -5.193 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.084 -6.660 -11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -1.631 -5.792 -11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -0.335 -7.173 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -1.793 -8.095 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -0.402 -9.187 -11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -1.873 -8.710 -12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -0.461 -7.817 -12.456 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.215 -3.719 -7.468 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.379 -2.341 -6.992 1.00 0.00 C ATOM 2056 C LEU A 136 -4.287 -1.946 -6.013 1.00 0.00 C ATOM 2057 O LEU A 136 -4.183 -2.508 -4.929 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.752 -2.170 -6.323 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.896 -2.522 -7.321 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -8.193 -4.034 -7.280 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -9.167 -1.734 -6.951 1.00 0.00 C ATOM 0 H LEU A 136 -5.375 -4.432 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.307 -1.687 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.817 -2.813 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.868 -1.143 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.581 -2.251 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -8.994 -4.267 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.296 -4.589 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.499 -4.317 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.965 -1.982 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.476 -1.997 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.960 -0.665 -7.001 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.547 -0.897 -6.368 1.00 0.00 N ATOM 2074 CA VAL A 137 -2.528 -0.327 -5.496 1.00 0.00 C ATOM 2075 C VAL A 137 -2.837 1.147 -5.339 1.00 0.00 C ATOM 2076 O VAL A 137 -3.008 1.859 -6.339 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.112 -0.561 -6.086 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -0.979 0.107 -7.461 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.045 -0.001 -5.133 1.00 0.00 C ATOM 0 H VAL A 137 -3.638 -0.421 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.538 -0.809 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.964 -1.634 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.021 -0.070 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -1.718 -0.314 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.146 1.180 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.945 -0.170 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.204 1.069 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.118 -0.504 -4.169 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.079 1.557 -4.099 1.00 0.00 N ATOM 2090 CA ILE A 138 -3.574 2.905 -3.841 1.00 0.00 C ATOM 2091 C ILE A 138 -2.876 3.558 -2.640 1.00 0.00 C ATOM 2092 O ILE A 138 -2.438 2.874 -1.711 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.112 2.835 -3.645 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -5.428 2.017 -2.367 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -5.774 2.180 -4.894 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.947 1.827 -2.166 1.00 0.00 C ATOM 0 H ILE A 138 -2.943 0.984 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 138 -3.344 3.540 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.515 3.841 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -4.946 1.042 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -5.007 2.524 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -6.854 2.133 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.550 2.776 -5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -5.382 1.172 -5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.125 1.249 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -7.427 2.802 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -7.364 1.297 -3.022 1.00 0.00 H new ATOM 2108 N VAL A 139 -2.779 4.887 -2.684 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.132 5.664 -1.615 1.00 0.00 C ATOM 2110 C VAL A 139 -3.119 6.688 -1.035 1.00 0.00 C ATOM 2111 O VAL A 139 -3.735 7.457 -1.779 1.00 0.00 O ATOM 2112 CB VAL A 139 -0.868 6.383 -2.169 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.174 7.196 -1.059 1.00 0.00 C ATOM 2114 CG2 VAL A 139 0.118 5.345 -2.728 1.00 0.00 C ATOM 0 H VAL A 139 -3.141 5.454 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 139 -1.827 4.985 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.179 7.062 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.707 7.691 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.864 7.945 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.126 6.528 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.001 5.853 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.413 4.659 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.360 4.786 -3.532 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.248 6.687 0.297 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.148 7.617 0.986 1.00 0.00 C ATOM 2126 C ALA A 140 -3.451 8.270 2.175 1.00 0.00 C ATOM 2127 O ALA A 140 -2.694 7.619 2.890 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.406 6.885 1.458 1.00 0.00 C ATOM 0 H ALA A 140 -2.742 6.054 0.917 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.432 8.398 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.066 7.587 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.924 6.460 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.126 6.086 2.145 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.712 9.568 2.368 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.111 10.329 3.457 1.00 0.00 C ATOM 2136 C LYS A 141 -4.065 10.417 4.646 1.00 0.00 C ATOM 2137 O LYS A 141 -5.192 10.905 4.511 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.777 11.740 2.976 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.884 12.437 4.012 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.505 13.847 3.524 1.00 0.00 C ATOM 2141 CE LYS A 141 -2.718 14.784 3.630 1.00 0.00 C ATOM 2142 NZ LYS A 141 -2.319 16.165 3.235 1.00 0.00 N ATOM 0 H LYS A 141 -4.341 10.112 1.777 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.201 9.818 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.269 11.696 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.693 12.311 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.405 12.503 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.982 11.848 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.680 14.238 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.159 13.802 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -3.522 14.429 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -3.103 14.783 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -3.141 16.798 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.565 16.503 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -1.972 16.159 2.255 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.594 9.969 5.814 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.392 10.023 7.038 1.00 0.00 C ATOM 2158 C ALA A 142 -4.520 11.454 7.533 1.00 0.00 C ATOM 2159 O ALA A 142 -3.535 12.203 7.543 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.748 9.165 8.119 1.00 0.00 C ATOM 0 H ALA A 142 -2.665 9.566 5.935 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.387 9.639 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.349 9.212 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.688 8.132 7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.745 9.536 8.329 1.00 0.00 H new