USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 895 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 68 ASN : amide:sc= -0.152 X(o=-0.47,f=-0.45) USER MOD Set 1.2: A 122 LYS NZ :NH3+ -119:sc= -0.319 (180deg=-0.49) USER MOD Set 2.1: A 59 MET CE :methyl -178:sc= -17.6! (180deg=-17.8!) USER MOD Set 2.2: A 63 CYS SG : rot 85:sc= 0.0507 USER MOD Set 3.1: A 13 THR OG1 : rot 132:sc= -1.17 USER MOD Set 3.2: A 50 MET CE :methyl -171:sc= -3 (180deg=-2.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 23 THR OG1 : rot 79:sc= -2.75! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00734 X(o=-0.0073,f=0) USER MOD Single : A 34 MET CE :methyl -161:sc= -0.87 (180deg=-2.73!) USER MOD Single : A 38 ASN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.0085) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.104) USER MOD Single : A 57 SER OG : rot 180:sc= 0.121 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -3.2! C(o=-4.5!,f=-3.2!) USER MOD Single : A 65 THR OG1 : rot -62:sc= -4.52! USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= -3.88! (180deg=-5.98!) USER MOD Single : A 75 ASN : amide:sc= -0.0168 X(o=-0.017,f=0.04) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -176:sc= -0.656 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -152:sc= -4.28 (180deg=-7.36!) USER MOD Single : A 96 THR OG1 : rot 110:sc= 1.26 USER MOD Single : A 98 MET CE :methyl 168:sc= -2.86 (180deg=-3.02!) USER MOD Single : A 101 LYS NZ :NH3+ -132:sc= -0.383 (180deg=-1.55!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.4! C(o=-4.4!,f=-11!) USER MOD Single : A 118 SER OG : rot 180:sc= -1.27 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 103:sc=0.000341 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 6.691 -17.998 2.825 1.00 0.00 N ATOM 115 CA VAL A 8 7.744 -16.946 2.824 1.00 0.00 C ATOM 116 C VAL A 8 7.256 -15.732 2.044 1.00 0.00 C ATOM 117 O VAL A 8 7.713 -14.624 2.235 1.00 0.00 O ATOM 118 CB VAL A 8 8.949 -17.591 2.140 1.00 0.00 C ATOM 119 CG1 VAL A 8 9.927 -16.504 1.693 1.00 0.00 C ATOM 120 CG2 VAL A 8 9.648 -18.531 3.125 1.00 0.00 C ATOM 0 HA VAL A 8 7.994 -16.599 3.827 1.00 0.00 H new ATOM 0 HB VAL A 8 8.614 -18.156 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.786 -16.965 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.430 -15.833 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.264 -15.938 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.508 -18.993 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.983 -17.964 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.952 -19.307 3.444 1.00 0.00 H new ATOM 130 N PHE A 9 6.316 -15.941 1.179 1.00 0.00 N ATOM 131 CA PHE A 9 5.765 -14.808 0.384 1.00 0.00 C ATOM 132 C PHE A 9 5.075 -13.818 1.329 1.00 0.00 C ATOM 133 O PHE A 9 5.144 -12.619 1.148 1.00 0.00 O ATOM 134 CB PHE A 9 4.761 -15.457 -0.579 1.00 0.00 C ATOM 135 CG PHE A 9 3.688 -14.464 -0.968 1.00 0.00 C ATOM 136 CD1 PHE A 9 4.025 -13.130 -1.225 1.00 0.00 C ATOM 137 CD2 PHE A 9 2.357 -14.882 -1.069 1.00 0.00 C ATOM 138 CE1 PHE A 9 3.028 -12.214 -1.583 1.00 0.00 C ATOM 139 CE2 PHE A 9 1.361 -13.967 -1.427 1.00 0.00 C ATOM 140 CZ PHE A 9 1.696 -12.632 -1.684 1.00 0.00 C ATOM 0 H PHE A 9 5.899 -16.851 0.983 1.00 0.00 H new ATOM 0 HA PHE A 9 6.528 -14.250 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.279 -15.811 -1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.306 -16.328 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.053 -12.807 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.098 -15.912 -0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.287 -11.184 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.334 -14.290 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.927 -11.925 -1.960 1.00 0.00 H new ATOM 150 N VAL A 10 4.419 -14.318 2.342 1.00 0.00 N ATOM 151 CA VAL A 10 3.732 -13.411 3.306 1.00 0.00 C ATOM 152 C VAL A 10 4.752 -12.832 4.290 1.00 0.00 C ATOM 153 O VAL A 10 4.708 -11.667 4.632 1.00 0.00 O ATOM 154 CB VAL A 10 2.723 -14.297 4.039 1.00 0.00 C ATOM 155 CG1 VAL A 10 1.749 -13.420 4.827 1.00 0.00 C ATOM 156 CG2 VAL A 10 1.942 -15.136 3.026 1.00 0.00 C ATOM 0 H VAL A 10 4.329 -15.314 2.543 1.00 0.00 H new ATOM 0 HA VAL A 10 3.246 -12.570 2.812 1.00 0.00 H new ATOM 0 HB VAL A 10 3.256 -14.957 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.031 -14.052 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.302 -12.824 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.219 -12.758 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.224 -15.766 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.411 -14.476 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.633 -15.764 2.464 1.00 0.00 H new ATOM 166 N ASP A 11 5.676 -13.638 4.746 1.00 0.00 N ATOM 167 CA ASP A 11 6.700 -13.125 5.701 1.00 0.00 C ATOM 168 C ASP A 11 7.408 -11.926 5.091 1.00 0.00 C ATOM 169 O ASP A 11 7.903 -11.054 5.777 1.00 0.00 O ATOM 170 CB ASP A 11 7.673 -14.285 5.911 1.00 0.00 C ATOM 171 CG ASP A 11 8.399 -14.111 7.245 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.327 -13.320 7.293 1.00 0.00 O ATOM 173 OD2 ASP A 11 8.015 -14.770 8.198 1.00 0.00 O ATOM 0 H ASP A 11 5.765 -14.624 4.499 1.00 0.00 H new ATOM 0 HA ASP A 11 6.266 -12.797 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.133 -15.232 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.395 -14.320 5.095 1.00 0.00 H new ATOM 178 N GLU A 12 7.434 -11.878 3.800 1.00 0.00 N ATOM 179 CA GLU A 12 8.084 -10.736 3.100 1.00 0.00 C ATOM 180 C GLU A 12 7.062 -9.614 2.922 1.00 0.00 C ATOM 181 O GLU A 12 7.360 -8.449 3.100 1.00 0.00 O ATOM 182 CB GLU A 12 8.517 -11.294 1.744 1.00 0.00 C ATOM 183 CG GLU A 12 9.624 -12.332 1.947 1.00 0.00 C ATOM 184 CD GLU A 12 10.987 -11.680 1.707 1.00 0.00 C ATOM 185 OE1 GLU A 12 11.250 -11.299 0.578 1.00 0.00 O ATOM 186 OE2 GLU A 12 11.746 -11.572 2.657 1.00 0.00 O ATOM 0 H GLU A 12 7.030 -12.586 3.186 1.00 0.00 H new ATOM 0 HA GLU A 12 8.931 -10.326 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.666 -11.749 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.874 -10.487 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.576 -12.737 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.483 -13.168 1.262 1.00 0.00 H new ATOM 193 N THR A 13 5.850 -9.964 2.586 1.00 0.00 N ATOM 194 CA THR A 13 4.792 -8.931 2.409 1.00 0.00 C ATOM 195 C THR A 13 4.548 -8.223 3.746 1.00 0.00 C ATOM 196 O THR A 13 4.224 -7.054 3.791 1.00 0.00 O ATOM 197 CB THR A 13 3.556 -9.724 1.947 1.00 0.00 C ATOM 198 OG1 THR A 13 3.496 -9.704 0.527 1.00 0.00 O ATOM 199 CG2 THR A 13 2.272 -9.110 2.516 1.00 0.00 C ATOM 0 H THR A 13 5.547 -10.925 2.426 1.00 0.00 H new ATOM 0 HA THR A 13 5.054 -8.154 1.690 1.00 0.00 H new ATOM 0 HB THR A 13 3.641 -10.749 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.347 -10.613 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.412 -9.687 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.313 -9.126 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.177 -8.080 2.172 1.00 0.00 H new ATOM 207 N LYS A 14 4.711 -8.925 4.835 1.00 0.00 N ATOM 208 CA LYS A 14 4.500 -8.294 6.168 1.00 0.00 C ATOM 209 C LYS A 14 5.671 -7.369 6.487 1.00 0.00 C ATOM 210 O LYS A 14 5.490 -6.241 6.898 1.00 0.00 O ATOM 211 CB LYS A 14 4.453 -9.455 7.159 1.00 0.00 C ATOM 212 CG LYS A 14 3.065 -10.089 7.144 1.00 0.00 C ATOM 213 CD LYS A 14 3.196 -11.584 7.425 1.00 0.00 C ATOM 214 CE LYS A 14 2.576 -11.905 8.787 1.00 0.00 C ATOM 215 NZ LYS A 14 3.735 -12.176 9.683 1.00 0.00 N ATOM 0 H LYS A 14 4.981 -9.908 4.858 1.00 0.00 H new ATOM 0 HA LYS A 14 3.590 -7.695 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.206 -10.199 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.690 -9.100 8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.429 -9.620 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.589 -9.928 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.698 -12.157 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.246 -11.876 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.979 -11.071 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.914 -12.769 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.390 -12.404 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.281 -12.979 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.344 -11.334 9.727 1.00 0.00 H new ATOM 229 N GLU A 15 6.872 -7.838 6.293 1.00 0.00 N ATOM 230 CA GLU A 15 8.050 -6.977 6.579 1.00 0.00 C ATOM 231 C GLU A 15 8.006 -5.746 5.682 1.00 0.00 C ATOM 232 O GLU A 15 8.667 -4.755 5.921 1.00 0.00 O ATOM 233 CB GLU A 15 9.271 -7.842 6.262 1.00 0.00 C ATOM 234 CG GLU A 15 9.403 -8.941 7.317 1.00 0.00 C ATOM 235 CD GLU A 15 10.264 -10.080 6.766 1.00 0.00 C ATOM 236 OE1 GLU A 15 10.222 -10.301 5.567 1.00 0.00 O ATOM 237 OE2 GLU A 15 10.949 -10.711 7.553 1.00 0.00 O ATOM 0 H GLU A 15 7.087 -8.775 5.951 1.00 0.00 H new ATOM 0 HA GLU A 15 8.074 -6.626 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.170 -8.284 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.171 -7.228 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.853 -8.537 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.417 -9.317 7.591 1.00 0.00 H new ATOM 244 N TYR A 16 7.215 -5.808 4.656 1.00 0.00 N ATOM 245 CA TYR A 16 7.091 -4.656 3.729 1.00 0.00 C ATOM 246 C TYR A 16 5.961 -3.737 4.193 1.00 0.00 C ATOM 247 O TYR A 16 6.070 -2.531 4.127 1.00 0.00 O ATOM 248 CB TYR A 16 6.773 -5.269 2.363 1.00 0.00 C ATOM 249 CG TYR A 16 7.880 -4.940 1.391 1.00 0.00 C ATOM 250 CD1 TYR A 16 9.147 -5.514 1.551 1.00 0.00 C ATOM 251 CD2 TYR A 16 7.639 -4.063 0.327 1.00 0.00 C ATOM 252 CE1 TYR A 16 10.173 -5.210 0.649 1.00 0.00 C ATOM 253 CE2 TYR A 16 8.665 -3.759 -0.576 1.00 0.00 C ATOM 254 CZ TYR A 16 9.932 -4.333 -0.415 1.00 0.00 C ATOM 255 OH TYR A 16 10.943 -4.034 -1.305 1.00 0.00 O ATOM 0 H TYR A 16 6.642 -6.617 4.416 1.00 0.00 H new ATOM 0 HA TYR A 16 7.997 -4.052 3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.665 -6.350 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.823 -4.884 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.333 -6.192 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.662 -3.621 0.203 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.150 -5.652 0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.479 -3.082 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 16 10.608 -3.411 -1.983 1.00 0.00 H new ATOM 265 N LEU A 17 4.880 -4.291 4.676 1.00 0.00 N ATOM 266 CA LEU A 17 3.763 -3.427 5.155 1.00 0.00 C ATOM 267 C LEU A 17 4.275 -2.544 6.284 1.00 0.00 C ATOM 268 O LEU A 17 3.951 -1.378 6.379 1.00 0.00 O ATOM 269 CB LEU A 17 2.692 -4.389 5.667 1.00 0.00 C ATOM 270 CG LEU A 17 2.083 -5.131 4.483 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.295 -6.344 4.983 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.148 -4.187 3.725 1.00 0.00 C ATOM 0 H LEU A 17 4.723 -5.295 4.759 1.00 0.00 H new ATOM 0 HA LEU A 17 3.366 -2.778 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.128 -5.098 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.919 -3.840 6.205 1.00 0.00 H new ATOM 0 HG LEU A 17 2.877 -5.471 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.861 -6.872 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.963 -7.014 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.498 -6.011 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.710 -4.713 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.355 -3.848 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.713 -3.327 3.366 1.00 0.00 H new ATOM 284 N GLN A 18 5.103 -3.094 7.123 1.00 0.00 N ATOM 285 CA GLN A 18 5.676 -2.291 8.232 1.00 0.00 C ATOM 286 C GLN A 18 6.620 -1.281 7.621 1.00 0.00 C ATOM 287 O GLN A 18 6.566 -0.098 7.891 1.00 0.00 O ATOM 288 CB GLN A 18 6.385 -3.317 9.114 1.00 0.00 C ATOM 289 CG GLN A 18 7.881 -3.008 9.253 1.00 0.00 C ATOM 290 CD GLN A 18 8.484 -3.895 10.344 1.00 0.00 C ATOM 291 OE1 GLN A 18 8.522 -3.518 11.498 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.958 -5.068 10.026 1.00 0.00 N ATOM 0 H GLN A 18 5.408 -4.067 7.088 1.00 0.00 H new ATOM 0 HA GLN A 18 4.952 -1.730 8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.923 -3.330 10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.257 -4.313 8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.389 -3.183 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.025 -1.957 9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.926 -5.385 9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.360 -5.668 10.746 1.00 0.00 H new ATOM 301 N ASN A 19 7.442 -1.748 6.747 1.00 0.00 N ATOM 302 CA ASN A 19 8.356 -0.831 6.038 1.00 0.00 C ATOM 303 C ASN A 19 7.487 0.138 5.257 1.00 0.00 C ATOM 304 O ASN A 19 7.862 1.257 4.959 1.00 0.00 O ATOM 305 CB ASN A 19 9.175 -1.725 5.102 1.00 0.00 C ATOM 306 CG ASN A 19 10.650 -1.668 5.505 1.00 0.00 C ATOM 307 OD1 ASN A 19 11.067 -2.343 6.425 1.00 0.00 O ATOM 308 ND2 ASN A 19 11.461 -0.885 4.849 1.00 0.00 N ATOM 0 H ASN A 19 7.524 -2.731 6.489 1.00 0.00 H new ATOM 0 HA ASN A 19 9.018 -0.260 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.812 -2.752 5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.056 -1.395 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.446 -0.839 5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.110 -0.319 4.077 1.00 0.00 H new ATOM 315 N LEU A 20 6.299 -0.296 4.961 1.00 0.00 N ATOM 316 CA LEU A 20 5.338 0.563 4.228 1.00 0.00 C ATOM 317 C LEU A 20 4.492 1.337 5.229 1.00 0.00 C ATOM 318 O LEU A 20 3.816 2.286 4.886 1.00 0.00 O ATOM 319 CB LEU A 20 4.474 -0.392 3.407 1.00 0.00 C ATOM 320 CG LEU A 20 3.433 0.408 2.623 1.00 0.00 C ATOM 321 CD1 LEU A 20 4.136 1.294 1.592 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.487 -0.556 1.905 1.00 0.00 C ATOM 0 H LEU A 20 5.948 -1.224 5.200 1.00 0.00 H new ATOM 0 HA LEU A 20 5.833 1.291 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.098 -0.966 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.979 -1.108 4.064 1.00 0.00 H new ATOM 0 HG LEU A 20 2.864 1.034 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.392 1.863 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.811 1.981 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.706 0.670 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.744 0.012 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.057 -1.182 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.984 -1.186 2.639 1.00 0.00 H new ATOM 334 N ASN A 21 4.563 0.968 6.474 1.00 0.00 N ATOM 335 CA ASN A 21 3.813 1.711 7.497 1.00 0.00 C ATOM 336 C ASN A 21 4.753 2.754 8.010 1.00 0.00 C ATOM 337 O ASN A 21 4.386 3.857 8.337 1.00 0.00 O ATOM 338 CB ASN A 21 3.467 0.712 8.592 1.00 0.00 C ATOM 339 CG ASN A 21 2.002 0.294 8.463 1.00 0.00 C ATOM 340 OD1 ASN A 21 1.706 -0.798 8.021 1.00 0.00 O ATOM 341 ND2 ASN A 21 1.067 1.125 8.833 1.00 0.00 N ATOM 0 H ASN A 21 5.112 0.181 6.820 1.00 0.00 H new ATOM 0 HA ASN A 21 2.899 2.176 7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.113 -0.163 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.644 1.156 9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.086 0.858 8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.317 2.042 9.204 1.00 0.00 H new ATOM 348 N ASP A 22 5.994 2.400 8.038 1.00 0.00 N ATOM 349 CA ASP A 22 7.004 3.361 8.487 1.00 0.00 C ATOM 350 C ASP A 22 7.028 4.481 7.471 1.00 0.00 C ATOM 351 O ASP A 22 7.216 5.642 7.778 1.00 0.00 O ATOM 352 CB ASP A 22 8.331 2.599 8.526 1.00 0.00 C ATOM 353 CG ASP A 22 9.028 2.856 9.862 1.00 0.00 C ATOM 354 OD1 ASP A 22 8.337 2.909 10.867 1.00 0.00 O ATOM 355 OD2 ASP A 22 10.239 2.996 9.860 1.00 0.00 O ATOM 0 H ASP A 22 6.349 1.483 7.768 1.00 0.00 H new ATOM 0 HA ASP A 22 6.805 3.787 9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.153 1.531 8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.970 2.918 7.703 1.00 0.00 H new ATOM 360 N THR A 23 6.781 4.110 6.260 1.00 0.00 N ATOM 361 CA THR A 23 6.710 5.094 5.155 1.00 0.00 C ATOM 362 C THR A 23 5.406 5.867 5.288 1.00 0.00 C ATOM 363 O THR A 23 5.363 7.078 5.190 1.00 0.00 O ATOM 364 CB THR A 23 6.661 4.229 3.909 1.00 0.00 C ATOM 365 OG1 THR A 23 7.899 3.550 3.749 1.00 0.00 O ATOM 366 CG2 THR A 23 6.381 5.100 2.684 1.00 0.00 C ATOM 0 H THR A 23 6.621 3.143 5.979 1.00 0.00 H new ATOM 0 HA THR A 23 7.535 5.806 5.143 1.00 0.00 H new ATOM 0 HB THR A 23 5.862 3.495 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.929 2.778 4.352 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.347 4.474 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.424 5.606 2.809 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.172 5.842 2.576 1.00 0.00 H new ATOM 374 N LEU A 24 4.336 5.155 5.528 1.00 0.00 N ATOM 375 CA LEU A 24 3.019 5.815 5.692 1.00 0.00 C ATOM 376 C LEU A 24 3.023 6.587 7.003 1.00 0.00 C ATOM 377 O LEU A 24 2.336 7.576 7.159 1.00 0.00 O ATOM 378 CB LEU A 24 2.004 4.672 5.735 1.00 0.00 C ATOM 379 CG LEU A 24 1.558 4.333 4.312 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.661 3.096 4.337 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.780 5.513 3.728 1.00 0.00 C ATOM 0 H LEU A 24 4.324 4.139 5.617 1.00 0.00 H new ATOM 0 HA LEU A 24 2.786 6.518 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.447 3.795 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.143 4.958 6.339 1.00 0.00 H new ATOM 0 HG LEU A 24 2.435 4.133 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.344 2.856 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.214 2.254 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.216 3.295 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.462 5.273 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.096 5.713 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.419 6.396 3.708 1.00 0.00 H new ATOM 393 N LEU A 25 3.809 6.145 7.949 1.00 0.00 N ATOM 394 CA LEU A 25 3.863 6.870 9.252 1.00 0.00 C ATOM 395 C LEU A 25 4.798 8.062 9.139 1.00 0.00 C ATOM 396 O LEU A 25 4.714 9.015 9.888 1.00 0.00 O ATOM 397 CB LEU A 25 4.377 5.853 10.260 1.00 0.00 C ATOM 398 CG LEU A 25 3.305 4.790 10.446 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.941 3.497 10.954 1.00 0.00 C ATOM 400 CD2 LEU A 25 2.272 5.295 11.452 1.00 0.00 C ATOM 0 H LEU A 25 4.409 5.323 7.878 1.00 0.00 H new ATOM 0 HA LEU A 25 2.892 7.262 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.304 5.401 9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.601 6.338 11.210 1.00 0.00 H new ATOM 0 HG LEU A 25 2.817 4.589 9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.169 2.739 11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.676 3.144 10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.432 3.684 11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.500 4.539 11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.760 5.495 12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.818 6.213 11.078 1.00 0.00 H new ATOM 412 N GLU A 26 5.639 8.037 8.160 1.00 0.00 N ATOM 413 CA GLU A 26 6.537 9.185 7.921 1.00 0.00 C ATOM 414 C GLU A 26 5.832 10.046 6.912 1.00 0.00 C ATOM 415 O GLU A 26 5.967 11.253 6.870 1.00 0.00 O ATOM 416 CB GLU A 26 7.836 8.603 7.361 1.00 0.00 C ATOM 417 CG GLU A 26 8.593 7.879 8.477 1.00 0.00 C ATOM 418 CD GLU A 26 9.560 6.866 7.862 1.00 0.00 C ATOM 419 OE1 GLU A 26 9.557 6.734 6.650 1.00 0.00 O ATOM 420 OE2 GLU A 26 10.287 6.239 8.615 1.00 0.00 O ATOM 0 H GLU A 26 5.745 7.261 7.506 1.00 0.00 H new ATOM 0 HA GLU A 26 6.768 9.776 8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.616 7.911 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.454 9.399 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.141 8.598 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.890 7.372 9.138 1.00 0.00 H new ATOM 427 N LEU A 27 5.047 9.400 6.113 1.00 0.00 N ATOM 428 CA LEU A 27 4.271 10.111 5.099 1.00 0.00 C ATOM 429 C LEU A 27 3.122 10.836 5.791 1.00 0.00 C ATOM 430 O LEU A 27 2.671 11.877 5.356 1.00 0.00 O ATOM 431 CB LEU A 27 3.763 9.025 4.153 1.00 0.00 C ATOM 432 CG LEU A 27 2.722 9.611 3.203 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.393 10.621 2.273 1.00 0.00 C ATOM 434 CD2 LEU A 27 2.108 8.481 2.372 1.00 0.00 C ATOM 0 H LEU A 27 4.913 8.389 6.126 1.00 0.00 H new ATOM 0 HA LEU A 27 4.846 10.858 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.594 8.608 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.326 8.207 4.725 1.00 0.00 H new ATOM 0 HG LEU A 27 1.941 10.111 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.650 11.040 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.836 11.422 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.172 10.123 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.363 8.893 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.890 7.986 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.633 7.759 3.035 1.00 0.00 H new ATOM 446 N GLU A 28 2.668 10.298 6.891 1.00 0.00 N ATOM 447 CA GLU A 28 1.573 10.959 7.644 1.00 0.00 C ATOM 448 C GLU A 28 2.124 12.230 8.279 1.00 0.00 C ATOM 449 O GLU A 28 1.485 13.264 8.289 1.00 0.00 O ATOM 450 CB GLU A 28 1.166 9.952 8.716 1.00 0.00 C ATOM 451 CG GLU A 28 0.244 8.903 8.100 1.00 0.00 C ATOM 452 CD GLU A 28 -1.177 9.102 8.630 1.00 0.00 C ATOM 453 OE1 GLU A 28 -1.734 10.161 8.391 1.00 0.00 O ATOM 454 OE2 GLU A 28 -1.684 8.194 9.268 1.00 0.00 O ATOM 0 H GLU A 28 3.011 9.428 7.298 1.00 0.00 H new ATOM 0 HA GLU A 28 0.723 11.236 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.051 9.473 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.660 10.461 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.254 8.987 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.599 7.902 8.345 1.00 0.00 H new ATOM 461 N LYS A 29 3.329 12.166 8.780 1.00 0.00 N ATOM 462 CA LYS A 29 3.940 13.386 9.377 1.00 0.00 C ATOM 463 C LYS A 29 4.325 14.325 8.242 1.00 0.00 C ATOM 464 O LYS A 29 4.431 15.526 8.396 1.00 0.00 O ATOM 465 CB LYS A 29 5.158 12.877 10.157 1.00 0.00 C ATOM 466 CG LYS A 29 6.450 13.066 9.356 1.00 0.00 C ATOM 467 CD LYS A 29 7.438 11.975 9.753 1.00 0.00 C ATOM 468 CE LYS A 29 8.335 11.642 8.561 1.00 0.00 C ATOM 469 NZ LYS A 29 9.574 12.439 8.779 1.00 0.00 N ATOM 0 H LYS A 29 3.911 11.329 8.801 1.00 0.00 H new ATOM 0 HA LYS A 29 3.277 13.942 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.234 13.410 11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.026 11.821 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.242 13.016 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.875 14.050 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.044 12.307 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.901 11.084 10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.554 10.575 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.855 11.908 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.241 12.264 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.335 13.451 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.012 12.160 9.680 1.00 0.00 H new ATOM 483 N ASN A 30 4.497 13.754 7.096 1.00 0.00 N ATOM 484 CA ASN A 30 4.839 14.540 5.882 1.00 0.00 C ATOM 485 C ASN A 30 4.040 13.967 4.734 1.00 0.00 C ATOM 486 O ASN A 30 4.539 13.234 3.903 1.00 0.00 O ATOM 487 CB ASN A 30 6.344 14.370 5.672 1.00 0.00 C ATOM 488 CG ASN A 30 6.974 15.722 5.328 1.00 0.00 C ATOM 489 OD1 ASN A 30 7.791 16.230 6.070 1.00 0.00 O ATOM 490 ND2 ASN A 30 6.629 16.327 4.225 1.00 0.00 N ATOM 0 H ASN A 30 4.414 12.749 6.940 1.00 0.00 H new ATOM 0 HA ASN A 30 4.604 15.601 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.803 13.963 6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.530 13.656 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.045 17.227 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.943 15.900 3.602 1.00 0.00 H new ATOM 497 N PRO A 31 2.793 14.300 4.782 1.00 0.00 N ATOM 498 CA PRO A 31 1.825 13.805 3.802 1.00 0.00 C ATOM 499 C PRO A 31 1.758 14.717 2.575 1.00 0.00 C ATOM 500 O PRO A 31 0.732 14.844 1.937 1.00 0.00 O ATOM 501 CB PRO A 31 0.533 13.841 4.595 1.00 0.00 C ATOM 502 CG PRO A 31 0.704 14.899 5.643 1.00 0.00 C ATOM 503 CD PRO A 31 2.170 15.178 5.774 1.00 0.00 C ATOM 0 HA PRO A 31 2.066 12.821 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.313 14.070 3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.331 12.872 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.166 15.805 5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.292 14.564 6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.395 16.226 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.529 14.960 6.780 1.00 0.00 H new ATOM 511 N GLU A 32 2.848 15.338 2.235 1.00 0.00 N ATOM 512 CA GLU A 32 2.866 16.230 1.042 1.00 0.00 C ATOM 513 C GLU A 32 4.196 16.048 0.318 1.00 0.00 C ATOM 514 O GLU A 32 4.531 16.781 -0.591 1.00 0.00 O ATOM 515 CB GLU A 32 2.725 17.668 1.572 1.00 0.00 C ATOM 516 CG GLU A 32 3.143 17.741 3.045 1.00 0.00 C ATOM 517 CD GLU A 32 3.118 19.198 3.512 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.132 19.863 3.372 1.00 0.00 O ATOM 519 OE2 GLU A 32 2.085 19.625 4.002 1.00 0.00 O ATOM 0 H GLU A 32 3.735 15.267 2.734 1.00 0.00 H new ATOM 0 HA GLU A 32 2.063 16.004 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.342 18.343 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.693 18.002 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.468 17.141 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.142 17.325 3.171 1.00 0.00 H new ATOM 526 N ASP A 33 4.955 15.063 0.719 1.00 0.00 N ATOM 527 CA ASP A 33 6.260 14.814 0.065 1.00 0.00 C ATOM 528 C ASP A 33 6.112 13.677 -0.945 1.00 0.00 C ATOM 529 O ASP A 33 5.619 12.614 -0.625 1.00 0.00 O ATOM 530 CB ASP A 33 7.202 14.410 1.200 1.00 0.00 C ATOM 531 CG ASP A 33 8.449 15.296 1.169 1.00 0.00 C ATOM 532 OD1 ASP A 33 8.757 15.814 0.108 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.075 15.441 2.206 1.00 0.00 O ATOM 0 H ASP A 33 4.721 14.420 1.476 1.00 0.00 H new ATOM 0 HA ASP A 33 6.635 15.683 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.696 14.510 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.485 13.362 1.097 1.00 0.00 H new ATOM 538 N MET A 34 6.525 13.885 -2.164 1.00 0.00 N ATOM 539 CA MET A 34 6.389 12.805 -3.178 1.00 0.00 C ATOM 540 C MET A 34 7.430 11.704 -2.931 1.00 0.00 C ATOM 541 O MET A 34 7.516 10.746 -3.673 1.00 0.00 O ATOM 542 CB MET A 34 6.578 13.503 -4.537 1.00 0.00 C ATOM 543 CG MET A 34 7.977 13.239 -5.109 1.00 0.00 C ATOM 544 SD MET A 34 8.126 14.030 -6.732 1.00 0.00 S ATOM 545 CE MET A 34 6.542 13.472 -7.414 1.00 0.00 C ATOM 0 H MET A 34 6.948 14.750 -2.500 1.00 0.00 H new ATOM 0 HA MET A 34 5.422 12.304 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.823 13.148 -5.239 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.427 14.576 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.738 13.628 -4.432 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.148 12.166 -5.198 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.565 13.553 -8.501 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.369 12.434 -7.131 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.737 14.094 -7.021 1.00 0.00 H new ATOM 555 N GLU A 35 8.206 11.820 -1.886 1.00 0.00 N ATOM 556 CA GLU A 35 9.212 10.766 -1.596 1.00 0.00 C ATOM 557 C GLU A 35 8.519 9.596 -0.909 1.00 0.00 C ATOM 558 O GLU A 35 8.520 8.487 -1.404 1.00 0.00 O ATOM 559 CB GLU A 35 10.230 11.418 -0.662 1.00 0.00 C ATOM 560 CG GLU A 35 11.518 11.711 -1.432 1.00 0.00 C ATOM 561 CD GLU A 35 12.586 12.222 -0.464 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.876 11.521 0.493 1.00 0.00 O ATOM 563 OE2 GLU A 35 13.098 13.305 -0.693 1.00 0.00 O ATOM 0 H GLU A 35 8.185 12.597 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 35 9.695 10.384 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.822 12.341 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.440 10.759 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.868 10.808 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.330 12.453 -2.208 1.00 0.00 H new ATOM 570 N LEU A 36 7.898 9.833 0.216 1.00 0.00 N ATOM 571 CA LEU A 36 7.188 8.717 0.888 1.00 0.00 C ATOM 572 C LEU A 36 6.039 8.277 -0.008 1.00 0.00 C ATOM 573 O LEU A 36 5.595 7.147 0.029 1.00 0.00 O ATOM 574 CB LEU A 36 6.656 9.277 2.213 1.00 0.00 C ATOM 575 CG LEU A 36 7.767 10.004 2.982 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.413 10.039 4.469 1.00 0.00 C ATOM 577 CD2 LEU A 36 9.102 9.273 2.800 1.00 0.00 C ATOM 0 H LEU A 36 7.854 10.736 0.689 1.00 0.00 H new ATOM 0 HA LEU A 36 7.834 7.859 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.833 9.964 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.257 8.466 2.822 1.00 0.00 H new ATOM 0 HG LEU A 36 7.860 11.019 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.200 10.555 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.469 10.567 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.317 9.020 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.882 9.798 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.014 8.255 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.360 9.245 1.741 1.00 0.00 H new ATOM 589 N ILE A 37 5.572 9.170 -0.836 1.00 0.00 N ATOM 590 CA ILE A 37 4.470 8.820 -1.763 1.00 0.00 C ATOM 591 C ILE A 37 5.031 7.962 -2.893 1.00 0.00 C ATOM 592 O ILE A 37 4.338 7.146 -3.471 1.00 0.00 O ATOM 593 CB ILE A 37 3.972 10.163 -2.289 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.127 10.850 -1.215 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.126 9.949 -3.543 1.00 0.00 C ATOM 596 CD1 ILE A 37 2.712 12.241 -1.700 1.00 0.00 C ATOM 0 H ILE A 37 5.910 10.130 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 37 3.667 8.253 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 37 4.828 10.790 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.243 10.252 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.695 10.931 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.774 10.912 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.729 9.464 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.270 9.318 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.110 12.729 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.602 12.838 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.128 12.148 -2.615 1.00 0.00 H new ATOM 608 N ASN A 38 6.289 8.134 -3.210 1.00 0.00 N ATOM 609 CA ASN A 38 6.891 7.315 -4.297 1.00 0.00 C ATOM 610 C ASN A 38 7.484 6.038 -3.722 1.00 0.00 C ATOM 611 O ASN A 38 7.440 4.989 -4.333 1.00 0.00 O ATOM 612 CB ASN A 38 7.977 8.193 -4.921 1.00 0.00 C ATOM 613 CG ASN A 38 8.539 7.506 -6.167 1.00 0.00 C ATOM 614 OD1 ASN A 38 8.063 7.726 -7.263 1.00 0.00 O ATOM 615 ND2 ASN A 38 9.539 6.678 -6.046 1.00 0.00 N ATOM 0 H ASN A 38 6.919 8.802 -2.765 1.00 0.00 H new ATOM 0 HA ASN A 38 6.153 7.013 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.564 9.167 -5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.775 8.370 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.921 6.216 -6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.939 6.493 -5.126 1.00 0.00 H new ATOM 622 N GLU A 39 8.010 6.111 -2.542 1.00 0.00 N ATOM 623 CA GLU A 39 8.575 4.885 -1.916 1.00 0.00 C ATOM 624 C GLU A 39 7.416 3.987 -1.494 1.00 0.00 C ATOM 625 O GLU A 39 7.560 2.797 -1.292 1.00 0.00 O ATOM 626 CB GLU A 39 9.409 5.370 -0.717 1.00 0.00 C ATOM 627 CG GLU A 39 8.542 5.461 0.544 1.00 0.00 C ATOM 628 CD GLU A 39 8.747 4.206 1.395 1.00 0.00 C ATOM 629 OE1 GLU A 39 8.070 3.224 1.141 1.00 0.00 O ATOM 630 OE2 GLU A 39 9.577 4.250 2.289 1.00 0.00 O ATOM 0 H GLU A 39 8.076 6.960 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 39 9.207 4.303 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.240 4.686 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.841 6.346 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.807 6.349 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.492 5.560 0.270 1.00 0.00 H new ATOM 637 N ALA A 40 6.257 4.566 -1.400 1.00 0.00 N ATOM 638 CA ALA A 40 5.047 3.789 -1.037 1.00 0.00 C ATOM 639 C ALA A 40 4.393 3.280 -2.322 1.00 0.00 C ATOM 640 O ALA A 40 4.177 2.097 -2.494 1.00 0.00 O ATOM 641 CB ALA A 40 4.134 4.782 -0.317 1.00 0.00 C ATOM 0 H ALA A 40 6.095 5.560 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 40 5.262 2.926 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.215 4.279 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.642 5.168 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.894 5.607 -0.987 1.00 0.00 H new ATOM 647 N PHE A 41 4.095 4.164 -3.241 1.00 0.00 N ATOM 648 CA PHE A 41 3.480 3.718 -4.521 1.00 0.00 C ATOM 649 C PHE A 41 4.237 2.493 -5.048 1.00 0.00 C ATOM 650 O PHE A 41 3.648 1.555 -5.546 1.00 0.00 O ATOM 651 CB PHE A 41 3.635 4.913 -5.469 1.00 0.00 C ATOM 652 CG PHE A 41 3.558 4.447 -6.904 1.00 0.00 C ATOM 653 CD1 PHE A 41 2.314 4.296 -7.528 1.00 0.00 C ATOM 654 CD2 PHE A 41 4.734 4.168 -7.610 1.00 0.00 C ATOM 655 CE1 PHE A 41 2.247 3.867 -8.859 1.00 0.00 C ATOM 656 CE2 PHE A 41 4.667 3.737 -8.940 1.00 0.00 C ATOM 657 CZ PHE A 41 3.423 3.586 -9.565 1.00 0.00 C ATOM 0 H PHE A 41 4.251 5.169 -3.158 1.00 0.00 H new ATOM 0 HA PHE A 41 2.435 3.427 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.853 5.647 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.589 5.409 -5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.407 4.510 -6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.693 4.285 -7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.288 3.753 -9.341 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.575 3.521 -9.484 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.371 3.253 -10.591 1.00 0.00 H new ATOM 667 N ARG A 42 5.540 2.495 -4.934 1.00 0.00 N ATOM 668 CA ARG A 42 6.330 1.327 -5.421 1.00 0.00 C ATOM 669 C ARG A 42 6.111 0.132 -4.493 1.00 0.00 C ATOM 670 O ARG A 42 5.879 -0.976 -4.936 1.00 0.00 O ATOM 671 CB ARG A 42 7.794 1.786 -5.396 1.00 0.00 C ATOM 672 CG ARG A 42 8.352 1.717 -3.973 1.00 0.00 C ATOM 673 CD ARG A 42 9.819 2.149 -3.983 1.00 0.00 C ATOM 674 NE ARG A 42 10.571 0.940 -4.418 1.00 0.00 N ATOM 675 CZ ARG A 42 11.875 0.936 -4.389 1.00 0.00 C ATOM 676 NH1 ARG A 42 12.513 1.808 -3.655 1.00 0.00 N ATOM 677 NH2 ARG A 42 12.541 0.063 -5.093 1.00 0.00 N ATOM 0 H ARG A 42 6.089 3.252 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 42 6.034 1.011 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.390 1.157 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.868 2.806 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.775 2.364 -3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.262 0.703 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.981 2.982 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.140 2.480 -2.995 1.00 0.00 H new ATOM 0 HE ARG A 42 10.066 0.114 -4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.991 2.491 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.533 1.806 -3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.042 -0.617 -5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.561 0.060 -5.070 1.00 0.00 H new ATOM 691 N ALA A 43 6.168 0.349 -3.208 1.00 0.00 N ATOM 692 CA ALA A 43 5.945 -0.776 -2.256 1.00 0.00 C ATOM 693 C ALA A 43 4.623 -1.460 -2.585 1.00 0.00 C ATOM 694 O ALA A 43 4.561 -2.659 -2.757 1.00 0.00 O ATOM 695 CB ALA A 43 5.893 -0.128 -0.872 1.00 0.00 C ATOM 0 H ALA A 43 6.359 1.253 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 43 6.726 -1.534 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.731 -0.897 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.835 0.383 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.076 0.592 -0.838 1.00 0.00 H new ATOM 701 N LEU A 44 3.566 -0.704 -2.697 1.00 0.00 N ATOM 702 CA LEU A 44 2.257 -1.320 -3.036 1.00 0.00 C ATOM 703 C LEU A 44 2.326 -1.888 -4.453 1.00 0.00 C ATOM 704 O LEU A 44 1.740 -2.909 -4.758 1.00 0.00 O ATOM 705 CB LEU A 44 1.243 -0.181 -2.953 1.00 0.00 C ATOM 706 CG LEU A 44 1.298 0.452 -1.561 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.775 1.888 -1.632 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.428 -0.362 -0.598 1.00 0.00 C ATOM 0 H LEU A 44 3.554 0.308 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 44 1.985 -2.137 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.460 0.569 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.240 -0.558 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 44 2.328 0.459 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.814 2.339 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.393 2.467 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.255 1.883 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.466 0.087 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.602 -0.368 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.800 -1.385 -0.548 1.00 0.00 H new ATOM 720 N HIS A 45 3.063 -1.243 -5.316 1.00 0.00 N ATOM 721 CA HIS A 45 3.201 -1.751 -6.706 1.00 0.00 C ATOM 722 C HIS A 45 4.001 -3.050 -6.675 1.00 0.00 C ATOM 723 O HIS A 45 3.751 -3.969 -7.428 1.00 0.00 O ATOM 724 CB HIS A 45 3.964 -0.659 -7.454 1.00 0.00 C ATOM 725 CG HIS A 45 3.889 -0.917 -8.934 1.00 0.00 C ATOM 726 ND1 HIS A 45 3.224 -0.062 -9.800 1.00 0.00 N ATOM 727 CD2 HIS A 45 4.389 -1.928 -9.716 1.00 0.00 C ATOM 728 CE1 HIS A 45 3.341 -0.572 -11.041 1.00 0.00 C ATOM 729 NE2 HIS A 45 4.041 -1.709 -11.046 1.00 0.00 N ATOM 0 H HIS A 45 3.576 -0.384 -5.116 1.00 0.00 H new ATOM 0 HA HIS A 45 2.245 -1.962 -7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.541 0.318 -7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 45 5.004 -0.641 -7.130 1.00 0.00 H new ATOM 0 HD2 HIS A 45 4.965 -2.767 -9.354 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.920 -0.117 -11.925 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.271 -2.292 -11.851 1.00 0.00 H new ATOM 737 N THR A 46 4.950 -3.135 -5.781 1.00 0.00 N ATOM 738 CA THR A 46 5.758 -4.378 -5.666 1.00 0.00 C ATOM 739 C THR A 46 4.940 -5.413 -4.885 1.00 0.00 C ATOM 740 O THR A 46 4.969 -6.593 -5.168 1.00 0.00 O ATOM 741 CB THR A 46 7.036 -3.948 -4.916 1.00 0.00 C ATOM 742 OG1 THR A 46 8.157 -4.115 -5.774 1.00 0.00 O ATOM 743 CG2 THR A 46 7.247 -4.784 -3.644 1.00 0.00 C ATOM 0 H THR A 46 5.199 -2.394 -5.125 1.00 0.00 H new ATOM 0 HA THR A 46 6.017 -4.835 -6.621 1.00 0.00 H new ATOM 0 HB THR A 46 6.928 -2.903 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.972 -3.842 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.156 -4.456 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.394 -4.654 -2.977 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.341 -5.836 -3.912 1.00 0.00 H new ATOM 751 N LEU A 47 4.199 -4.959 -3.911 1.00 0.00 N ATOM 752 CA LEU A 47 3.358 -5.883 -3.111 1.00 0.00 C ATOM 753 C LEU A 47 2.169 -6.344 -3.959 1.00 0.00 C ATOM 754 O LEU A 47 1.818 -7.509 -3.982 1.00 0.00 O ATOM 755 CB LEU A 47 2.898 -5.039 -1.921 1.00 0.00 C ATOM 756 CG LEU A 47 3.655 -5.469 -0.665 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.377 -4.478 0.467 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.193 -6.864 -0.240 1.00 0.00 C ATOM 0 H LEU A 47 4.142 -3.978 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 47 3.883 -6.782 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.076 -3.982 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.825 -5.159 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 47 4.724 -5.488 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.918 -4.787 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.707 -3.483 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.308 -4.458 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.734 -7.169 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.124 -6.845 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.392 -7.574 -1.043 1.00 0.00 H new ATOM 770 N LYS A 48 1.558 -5.437 -4.676 1.00 0.00 N ATOM 771 CA LYS A 48 0.408 -5.815 -5.540 1.00 0.00 C ATOM 772 C LYS A 48 0.880 -6.798 -6.617 1.00 0.00 C ATOM 773 O LYS A 48 0.129 -7.624 -7.097 1.00 0.00 O ATOM 774 CB LYS A 48 -0.049 -4.493 -6.160 1.00 0.00 C ATOM 775 CG LYS A 48 -0.852 -4.753 -7.436 1.00 0.00 C ATOM 776 CD LYS A 48 -1.019 -3.437 -8.190 1.00 0.00 C ATOM 777 CE LYS A 48 0.117 -3.281 -9.202 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.297 -4.102 -10.373 1.00 0.00 N ATOM 0 H LYS A 48 1.809 -4.449 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.399 -6.307 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.659 -3.940 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.817 -3.872 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.340 -5.484 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.827 -5.173 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.981 -3.418 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.014 -2.601 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.256 -2.237 -9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.064 -3.630 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.540 -4.551 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.965 -4.837 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.756 -3.492 -11.079 1.00 0.00 H new ATOM 792 N GLY A 49 2.127 -6.717 -6.993 1.00 0.00 N ATOM 793 CA GLY A 49 2.654 -7.647 -8.031 1.00 0.00 C ATOM 794 C GLY A 49 2.971 -8.995 -7.382 1.00 0.00 C ATOM 795 O GLY A 49 2.690 -10.042 -7.930 1.00 0.00 O ATOM 0 H GLY A 49 2.803 -6.047 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.921 -7.776 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.551 -7.230 -8.489 1.00 0.00 H new ATOM 799 N MET A 50 3.552 -8.976 -6.214 1.00 0.00 N ATOM 800 CA MET A 50 3.884 -10.255 -5.526 1.00 0.00 C ATOM 801 C MET A 50 2.640 -11.142 -5.445 1.00 0.00 C ATOM 802 O MET A 50 2.730 -12.353 -5.424 1.00 0.00 O ATOM 803 CB MET A 50 4.346 -9.843 -4.127 1.00 0.00 C ATOM 804 CG MET A 50 5.874 -9.793 -4.089 1.00 0.00 C ATOM 805 SD MET A 50 6.452 -10.258 -2.438 1.00 0.00 S ATOM 806 CE MET A 50 5.372 -9.149 -1.502 1.00 0.00 C ATOM 0 H MET A 50 3.811 -8.130 -5.706 1.00 0.00 H new ATOM 0 HA MET A 50 4.649 -10.826 -6.053 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.933 -8.868 -3.868 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.976 -10.552 -3.387 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.289 -10.470 -4.835 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.222 -8.791 -4.339 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.669 -9.151 -0.453 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.455 -8.138 -1.901 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.340 -9.489 -1.587 1.00 0.00 H new ATOM 816 N ALA A 51 1.480 -10.547 -5.407 1.00 0.00 N ATOM 817 CA ALA A 51 0.231 -11.357 -5.336 1.00 0.00 C ATOM 818 C ALA A 51 -0.259 -11.674 -6.749 1.00 0.00 C ATOM 819 O ALA A 51 -0.932 -12.660 -6.980 1.00 0.00 O ATOM 820 CB ALA A 51 -0.773 -10.473 -4.603 1.00 0.00 C ATOM 0 H ALA A 51 1.343 -9.536 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 51 0.377 -12.309 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.722 -11.000 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.391 -10.235 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.924 -9.551 -5.164 1.00 0.00 H new ATOM 826 N GLY A 52 0.090 -10.851 -7.699 1.00 0.00 N ATOM 827 CA GLY A 52 -0.340 -11.108 -9.100 1.00 0.00 C ATOM 828 C GLY A 52 0.367 -12.367 -9.593 1.00 0.00 C ATOM 829 O GLY A 52 -0.152 -13.118 -10.394 1.00 0.00 O ATOM 0 H GLY A 52 0.654 -10.012 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.421 -11.236 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.091 -10.259 -9.736 1.00 0.00 H new ATOM 871 N PHE A 56 -3.016 -14.551 -6.389 1.00 0.00 N ATOM 872 CA PHE A 56 -3.938 -13.873 -5.433 1.00 0.00 C ATOM 873 C PHE A 56 -4.055 -12.390 -5.782 1.00 0.00 C ATOM 874 O PHE A 56 -3.769 -11.528 -4.974 1.00 0.00 O ATOM 875 CB PHE A 56 -3.289 -14.048 -4.059 1.00 0.00 C ATOM 876 CG PHE A 56 -3.775 -15.332 -3.430 1.00 0.00 C ATOM 877 CD1 PHE A 56 -5.148 -15.588 -3.334 1.00 0.00 C ATOM 878 CD2 PHE A 56 -2.853 -16.264 -2.941 1.00 0.00 C ATOM 879 CE1 PHE A 56 -5.599 -16.777 -2.749 1.00 0.00 C ATOM 880 CE2 PHE A 56 -3.304 -17.453 -2.356 1.00 0.00 C ATOM 881 CZ PHE A 56 -4.677 -17.710 -2.260 1.00 0.00 C ATOM 0 HA PHE A 56 -4.944 -14.291 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.204 -14.068 -4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.535 -13.201 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.859 -14.868 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.794 -16.066 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.658 -16.975 -2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.593 -18.173 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.025 -18.628 -1.809 1.00 0.00 H new ATOM 891 N SER A 57 -4.468 -12.080 -6.980 1.00 0.00 N ATOM 892 CA SER A 57 -4.591 -10.648 -7.367 1.00 0.00 C ATOM 893 C SER A 57 -5.651 -9.963 -6.517 1.00 0.00 C ATOM 894 O SER A 57 -5.753 -8.755 -6.486 1.00 0.00 O ATOM 895 CB SER A 57 -4.998 -10.650 -8.833 1.00 0.00 C ATOM 896 OG SER A 57 -4.597 -11.874 -9.436 1.00 0.00 O ATOM 0 H SER A 57 -4.724 -12.752 -7.703 1.00 0.00 H new ATOM 0 HA SER A 57 -3.658 -10.105 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.077 -10.525 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.536 -9.809 -9.351 1.00 0.00 H new ATOM 0 HG SER A 57 -4.861 -11.876 -10.380 1.00 0.00 H new ATOM 902 N SER A 58 -6.425 -10.725 -5.812 1.00 0.00 N ATOM 903 CA SER A 58 -7.463 -10.114 -4.940 1.00 0.00 C ATOM 904 C SER A 58 -6.753 -9.370 -3.821 1.00 0.00 C ATOM 905 O SER A 58 -7.124 -8.276 -3.441 1.00 0.00 O ATOM 906 CB SER A 58 -8.266 -11.282 -4.381 1.00 0.00 C ATOM 907 OG SER A 58 -8.792 -12.052 -5.455 1.00 0.00 O ATOM 0 H SER A 58 -6.388 -11.744 -5.799 1.00 0.00 H new ATOM 0 HA SER A 58 -8.112 -9.414 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.632 -11.904 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.077 -10.913 -3.753 1.00 0.00 H new ATOM 0 HG SER A 58 -9.307 -12.805 -5.096 1.00 0.00 H new ATOM 913 N MET A 59 -5.711 -9.958 -3.310 1.00 0.00 N ATOM 914 CA MET A 59 -4.936 -9.299 -2.234 1.00 0.00 C ATOM 915 C MET A 59 -4.056 -8.222 -2.859 1.00 0.00 C ATOM 916 O MET A 59 -3.700 -7.245 -2.229 1.00 0.00 O ATOM 917 CB MET A 59 -4.084 -10.415 -1.618 1.00 0.00 C ATOM 918 CG MET A 59 -3.324 -9.874 -0.405 1.00 0.00 C ATOM 919 SD MET A 59 -1.544 -10.030 -0.685 1.00 0.00 S ATOM 920 CE MET A 59 -1.474 -9.096 -2.232 1.00 0.00 C ATOM 0 H MET A 59 -5.363 -10.873 -3.595 1.00 0.00 H new ATOM 0 HA MET A 59 -5.561 -8.820 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.720 -11.248 -1.319 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.382 -10.800 -2.357 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.585 -8.829 -0.236 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.611 -10.424 0.491 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.452 -9.095 -2.610 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.133 -9.559 -2.967 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.795 -8.070 -2.052 1.00 0.00 H new ATOM 930 N ALA A 60 -3.717 -8.388 -4.110 1.00 0.00 N ATOM 931 CA ALA A 60 -2.875 -7.371 -4.785 1.00 0.00 C ATOM 932 C ALA A 60 -3.766 -6.277 -5.354 1.00 0.00 C ATOM 933 O ALA A 60 -3.369 -5.134 -5.469 1.00 0.00 O ATOM 934 CB ALA A 60 -2.163 -8.123 -5.904 1.00 0.00 C ATOM 0 H ALA A 60 -3.988 -9.183 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.164 -6.895 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.518 -7.435 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.560 -8.924 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.901 -8.548 -6.584 1.00 0.00 H new ATOM 940 N LYS A 61 -4.982 -6.610 -5.684 1.00 0.00 N ATOM 941 CA LYS A 61 -5.904 -5.579 -6.212 1.00 0.00 C ATOM 942 C LYS A 61 -6.194 -4.610 -5.079 1.00 0.00 C ATOM 943 O LYS A 61 -6.497 -3.451 -5.285 1.00 0.00 O ATOM 944 CB LYS A 61 -7.149 -6.356 -6.628 1.00 0.00 C ATOM 945 CG LYS A 61 -8.247 -5.391 -7.057 1.00 0.00 C ATOM 946 CD LYS A 61 -9.601 -6.027 -6.753 1.00 0.00 C ATOM 947 CE LYS A 61 -9.865 -7.149 -7.757 1.00 0.00 C ATOM 948 NZ LYS A 61 -11.246 -7.614 -7.455 1.00 0.00 N ATOM 0 H LYS A 61 -5.372 -7.549 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.515 -5.004 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.908 -7.033 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.498 -6.971 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.146 -4.444 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.163 -5.171 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.611 -6.422 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.390 -5.277 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.785 -6.789 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.142 -7.957 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.502 -8.386 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.290 -7.957 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.912 -6.825 -7.576 1.00 0.00 H new ATOM 962 N LEU A 62 -6.048 -5.082 -3.875 1.00 0.00 N ATOM 963 CA LEU A 62 -6.249 -4.212 -2.702 1.00 0.00 C ATOM 964 C LEU A 62 -4.984 -3.379 -2.527 1.00 0.00 C ATOM 965 O LEU A 62 -5.025 -2.224 -2.151 1.00 0.00 O ATOM 966 CB LEU A 62 -6.431 -5.180 -1.534 1.00 0.00 C ATOM 967 CG LEU A 62 -6.482 -4.402 -0.219 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.339 -3.143 -0.390 1.00 0.00 C ATOM 969 CD2 LEU A 62 -7.098 -5.285 0.867 1.00 0.00 C ATOM 0 H LEU A 62 -5.795 -6.046 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.098 -3.533 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.349 -5.753 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.609 -5.896 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.470 -4.113 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.371 -2.594 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.906 -2.510 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.351 -3.428 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.136 -4.733 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.108 -5.572 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.490 -6.180 0.996 1.00 0.00 H new ATOM 981 N CYS A 63 -3.856 -3.965 -2.834 1.00 0.00 N ATOM 982 CA CYS A 63 -2.570 -3.225 -2.725 1.00 0.00 C ATOM 983 C CYS A 63 -2.501 -2.184 -3.841 1.00 0.00 C ATOM 984 O CYS A 63 -1.976 -1.102 -3.664 1.00 0.00 O ATOM 985 CB CYS A 63 -1.482 -4.284 -2.906 1.00 0.00 C ATOM 986 SG CYS A 63 -1.187 -5.122 -1.329 1.00 0.00 S ATOM 0 H CYS A 63 -3.773 -4.929 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.459 -2.701 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.786 -5.007 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.562 -3.819 -3.260 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.038 -6.095 -1.189 1.00 0.00 H new ATOM 992 N HIS A 64 -3.054 -2.491 -4.986 1.00 0.00 N ATOM 993 CA HIS A 64 -3.044 -1.504 -6.097 1.00 0.00 C ATOM 994 C HIS A 64 -3.938 -0.339 -5.694 1.00 0.00 C ATOM 995 O HIS A 64 -3.700 0.802 -6.034 1.00 0.00 O ATOM 996 CB HIS A 64 -3.626 -2.243 -7.302 1.00 0.00 C ATOM 997 CG HIS A 64 -3.270 -1.506 -8.565 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.383 -0.488 -8.814 1.00 0.00 N flip ATOM 999 CD2 HIS A 64 -3.866 -1.797 -9.783 1.00 0.00 C flip ATOM 1000 CE1 HIS A 64 -2.427 -0.150 -10.163 1.00 0.00 C flip ATOM 1001 NE2 HIS A 64 -3.335 -0.968 -10.700 1.00 0.00 N flip ATOM 0 H HIS A 64 -3.509 -3.379 -5.196 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.052 -1.115 -6.325 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.237 -3.260 -7.340 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.709 -2.319 -7.206 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.618 -2.551 -9.962 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.850 0.611 -10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.595 -0.965 -11.686 1.00 0.00 H new ATOM 1009 N THR A 65 -4.962 -0.637 -4.947 1.00 0.00 N ATOM 1010 CA THR A 65 -5.888 0.422 -4.477 1.00 0.00 C ATOM 1011 C THR A 65 -5.103 1.488 -3.716 1.00 0.00 C ATOM 1012 O THR A 65 -5.030 2.630 -4.120 1.00 0.00 O ATOM 1013 CB THR A 65 -6.853 -0.296 -3.537 1.00 0.00 C ATOM 1014 OG1 THR A 65 -6.738 -1.703 -3.717 1.00 0.00 O ATOM 1015 CG2 THR A 65 -8.277 0.142 -3.847 1.00 0.00 C ATOM 0 H THR A 65 -5.197 -1.581 -4.640 1.00 0.00 H new ATOM 0 HA THR A 65 -6.408 0.921 -5.295 1.00 0.00 H new ATOM 0 HB THR A 65 -6.610 -0.044 -2.505 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.988 -1.937 -4.635 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.969 -0.369 -3.177 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.365 1.219 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.519 -0.110 -4.880 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.496 1.114 -2.626 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.695 2.092 -1.849 1.00 0.00 C ATOM 1025 C LEU A 66 -2.695 2.753 -2.788 1.00 0.00 C ATOM 1026 O LEU A 66 -2.463 3.943 -2.745 1.00 0.00 O ATOM 1027 CB LEU A 66 -2.945 1.253 -0.815 1.00 0.00 C ATOM 1028 CG LEU A 66 -3.877 0.869 0.333 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -4.775 -0.291 -0.090 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -3.032 0.451 1.535 1.00 0.00 C ATOM 0 H LEU A 66 -4.521 0.170 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.304 2.868 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.547 0.354 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.094 1.814 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.504 1.721 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.436 -0.559 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.372 0.007 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.159 -1.150 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.687 0.174 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.410 -0.402 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.395 1.282 1.839 1.00 0.00 H new ATOM 1042 N GLU A 67 -2.106 1.964 -3.641 1.00 0.00 N ATOM 1043 CA GLU A 67 -1.104 2.491 -4.603 1.00 0.00 C ATOM 1044 C GLU A 67 -1.754 3.469 -5.567 1.00 0.00 C ATOM 1045 O GLU A 67 -1.108 4.344 -6.111 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.614 1.250 -5.348 1.00 0.00 C ATOM 1047 CG GLU A 67 0.537 1.626 -6.284 1.00 0.00 C ATOM 1048 CD GLU A 67 0.121 1.370 -7.735 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -0.585 2.201 -8.283 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.516 0.349 -8.274 1.00 0.00 O ATOM 0 H GLU A 67 -2.280 0.961 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.295 3.032 -4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.283 0.494 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.432 0.812 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.801 2.675 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.424 1.041 -6.040 1.00 0.00 H new ATOM 1057 N ASN A 68 -3.025 3.336 -5.784 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.706 4.265 -6.710 1.00 0.00 C ATOM 1059 C ASN A 68 -3.781 5.642 -6.082 1.00 0.00 C ATOM 1060 O ASN A 68 -3.594 6.645 -6.736 1.00 0.00 O ATOM 1061 CB ASN A 68 -5.104 3.703 -6.866 1.00 0.00 C ATOM 1062 CG ASN A 68 -5.322 3.226 -8.303 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.180 3.990 -9.236 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -5.663 1.984 -8.522 1.00 0.00 N ATOM 0 H ASN A 68 -3.621 2.625 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.186 4.357 -7.663 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.250 2.874 -6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.841 4.465 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.810 1.656 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.782 1.342 -7.738 1.00 0.00 H new ATOM 1071 N ILE A 69 -4.040 5.694 -4.806 1.00 0.00 N ATOM 1072 CA ILE A 69 -4.112 7.012 -4.134 1.00 0.00 C ATOM 1073 C ILE A 69 -2.710 7.548 -4.051 1.00 0.00 C ATOM 1074 O ILE A 69 -2.430 8.711 -4.249 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.670 6.731 -2.746 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -6.162 6.448 -2.860 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.447 7.948 -1.847 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.381 5.154 -3.636 1.00 0.00 C ATOM 0 H ILE A 69 -4.203 4.885 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.735 7.740 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.163 5.869 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.604 6.367 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.661 7.275 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.847 7.745 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.379 8.155 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.955 8.813 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.450 4.954 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.954 5.252 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.896 4.330 -3.113 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.825 6.665 -3.800 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.396 7.041 -3.743 1.00 0.00 C ATOM 1092 C LEU A 70 0.047 7.401 -5.147 1.00 0.00 C ATOM 1093 O LEU A 70 1.061 8.038 -5.351 1.00 0.00 O ATOM 1094 CB LEU A 70 0.351 5.810 -3.216 1.00 0.00 C ATOM 1095 CG LEU A 70 -0.120 5.428 -1.797 1.00 0.00 C ATOM 1096 CD1 LEU A 70 1.101 5.139 -0.927 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.931 6.561 -1.149 1.00 0.00 C ATOM 0 H LEU A 70 -2.021 5.679 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.201 7.896 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.192 4.970 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.422 6.011 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.758 4.548 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.776 4.868 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.669 4.315 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.731 6.027 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.247 6.258 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.313 7.456 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.809 6.774 -1.758 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.730 7.025 -6.120 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.371 7.383 -7.510 1.00 0.00 C ATOM 1111 C ASP A 71 -0.873 8.796 -7.791 1.00 0.00 C ATOM 1112 O ASP A 71 -0.137 9.640 -8.262 1.00 0.00 O ATOM 1113 CB ASP A 71 -1.066 6.353 -8.401 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.377 6.315 -9.766 1.00 0.00 C ATOM 1115 OD1 ASP A 71 0.843 6.268 -9.789 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -1.078 6.335 -10.763 1.00 0.00 O ATOM 0 H ASP A 71 -1.591 6.489 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 71 0.704 7.372 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.029 5.368 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.119 6.610 -8.520 1.00 0.00 H new ATOM 1121 N LYS A 72 -2.107 9.085 -7.472 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.595 10.467 -7.693 1.00 0.00 C ATOM 1123 C LYS A 72 -1.861 11.386 -6.729 1.00 0.00 C ATOM 1124 O LYS A 72 -1.677 12.561 -6.978 1.00 0.00 O ATOM 1125 CB LYS A 72 -4.099 10.427 -7.430 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.392 9.564 -6.209 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.764 9.896 -5.704 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.756 9.878 -4.175 1.00 0.00 C ATOM 1129 NZ LYS A 72 -7.102 9.371 -3.789 1.00 0.00 N ATOM 0 H LYS A 72 -2.784 8.433 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.413 10.841 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.475 11.437 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.618 10.027 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.331 8.507 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.649 9.744 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.070 10.877 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.488 9.176 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.966 9.232 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.578 10.874 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.029 8.832 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.749 10.173 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.469 8.753 -4.541 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.399 10.833 -5.647 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.621 11.628 -4.666 1.00 0.00 C ATOM 1145 C ALA A 73 0.696 12.050 -5.311 1.00 0.00 C ATOM 1146 O ALA A 73 1.157 13.161 -5.144 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.361 10.666 -3.511 1.00 0.00 C ATOM 0 H ALA A 73 -1.529 9.852 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.136 12.530 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.212 11.175 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.311 10.329 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.202 9.806 -3.874 1.00 0.00 H new ATOM 1153 N ARG A 74 1.300 11.164 -6.062 1.00 0.00 N ATOM 1154 CA ARG A 74 2.580 11.513 -6.732 1.00 0.00 C ATOM 1155 C ARG A 74 2.285 12.148 -8.091 1.00 0.00 C ATOM 1156 O ARG A 74 3.118 12.807 -8.678 1.00 0.00 O ATOM 1157 CB ARG A 74 3.337 10.185 -6.882 1.00 0.00 C ATOM 1158 CG ARG A 74 2.883 9.443 -8.146 1.00 0.00 C ATOM 1159 CD ARG A 74 3.802 8.244 -8.391 1.00 0.00 C ATOM 1160 NE ARG A 74 3.091 7.412 -9.401 1.00 0.00 N ATOM 1161 CZ ARG A 74 3.486 7.415 -10.645 1.00 0.00 C ATOM 1162 NH1 ARG A 74 4.135 8.442 -11.122 1.00 0.00 N ATOM 1163 NH2 ARG A 74 3.231 6.390 -11.413 1.00 0.00 N ATOM 0 H ARG A 74 0.960 10.218 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 74 3.171 12.234 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.409 10.375 -6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.164 9.561 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.852 9.108 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.908 10.115 -9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.777 8.563 -8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.975 7.685 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 74 2.295 6.839 -9.120 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.334 9.243 -10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.443 8.444 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.723 5.588 -11.041 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.539 6.392 -12.385 1.00 0.00 H new ATOM 1177 N ASN A 75 1.091 11.958 -8.588 1.00 0.00 N ATOM 1178 CA ASN A 75 0.728 12.555 -9.902 1.00 0.00 C ATOM 1179 C ASN A 75 0.329 14.019 -9.707 1.00 0.00 C ATOM 1180 O ASN A 75 -0.067 14.694 -10.636 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.458 11.732 -10.400 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.001 10.820 -11.540 1.00 0.00 C ATOM 1183 OD1 ASN A 75 0.020 9.614 -11.396 1.00 0.00 O ATOM 1184 ND2 ASN A 75 0.369 11.348 -12.675 1.00 0.00 N ATOM 0 H ASN A 75 0.353 11.415 -8.139 1.00 0.00 H new ATOM 0 HA ASN A 75 1.553 12.537 -10.614 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.869 11.136 -9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.254 12.392 -10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.676 10.748 -13.441 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.351 12.361 -12.796 1.00 0.00 H new ATOM 1191 N SER A 76 0.441 14.510 -8.498 1.00 0.00 N ATOM 1192 CA SER A 76 0.085 15.931 -8.212 1.00 0.00 C ATOM 1193 C SER A 76 -1.433 16.120 -8.180 1.00 0.00 C ATOM 1194 O SER A 76 -1.925 17.217 -8.352 1.00 0.00 O ATOM 1195 CB SER A 76 0.705 16.749 -9.348 1.00 0.00 C ATOM 1196 OG SER A 76 1.478 17.806 -8.796 1.00 0.00 O ATOM 0 H SER A 76 0.767 13.980 -7.690 1.00 0.00 H new ATOM 0 HA SER A 76 0.457 16.245 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.332 16.111 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.078 17.152 -9.991 1.00 0.00 H new ATOM 0 HG SER A 76 1.878 18.331 -9.520 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.189 15.078 -7.946 1.00 0.00 N ATOM 1203 CA GLU A 77 -3.664 15.255 -7.894 1.00 0.00 C ATOM 1204 C GLU A 77 -4.099 15.280 -6.442 1.00 0.00 C ATOM 1205 O GLU A 77 -5.105 15.860 -6.084 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.299 14.057 -8.624 1.00 0.00 C ATOM 1207 CG GLU A 77 -3.254 13.286 -9.437 1.00 0.00 C ATOM 1208 CD GLU A 77 -3.936 12.583 -10.613 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -4.250 13.259 -11.579 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -4.130 11.382 -10.529 1.00 0.00 O ATOM 0 H GLU A 77 -1.852 14.128 -7.791 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.974 16.186 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.763 13.390 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.091 14.409 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.487 13.969 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.753 12.554 -8.803 1.00 0.00 H new ATOM 1217 N ILE A 78 -3.347 14.638 -5.606 1.00 0.00 N ATOM 1218 CA ILE A 78 -3.711 14.598 -4.164 1.00 0.00 C ATOM 1219 C ILE A 78 -2.484 14.367 -3.283 1.00 0.00 C ATOM 1220 O ILE A 78 -1.354 14.577 -3.675 1.00 0.00 O ATOM 1221 CB ILE A 78 -4.609 13.382 -4.059 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -3.785 12.170 -4.455 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -5.805 13.527 -4.999 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.369 11.410 -3.197 1.00 0.00 C ATOM 0 H ILE A 78 -2.494 14.137 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.169 15.532 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.988 13.276 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.364 11.521 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.903 12.482 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.443 12.647 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.375 14.416 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.451 13.622 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.777 10.539 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.774 12.062 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.259 11.086 -2.657 1.00 0.00 H new ATOM 1236 N LYS A 79 -2.731 13.902 -2.092 1.00 0.00 N ATOM 1237 CA LYS A 79 -1.641 13.597 -1.133 1.00 0.00 C ATOM 1238 C LYS A 79 -2.247 12.863 0.055 1.00 0.00 C ATOM 1239 O LYS A 79 -3.322 12.309 -0.037 1.00 0.00 O ATOM 1240 CB LYS A 79 -1.064 14.952 -0.714 1.00 0.00 C ATOM 1241 CG LYS A 79 -1.989 15.635 0.302 1.00 0.00 C ATOM 1242 CD LYS A 79 -2.524 16.930 -0.293 1.00 0.00 C ATOM 1243 CE LYS A 79 -1.363 17.743 -0.859 1.00 0.00 C ATOM 1244 NZ LYS A 79 -1.692 19.160 -0.541 1.00 0.00 N ATOM 0 H LYS A 79 -3.669 13.717 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.858 12.967 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.074 14.814 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.942 15.589 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.815 14.973 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.445 15.843 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.247 16.711 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.048 17.505 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.417 17.447 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.263 17.593 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.938 19.780 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.594 19.416 -0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.774 19.275 0.489 1.00 0.00 H new ATOM 1258 N ILE A 80 -1.588 12.854 1.169 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.166 12.155 2.334 1.00 0.00 C ATOM 1260 C ILE A 80 -2.957 13.122 3.189 1.00 0.00 C ATOM 1261 O ILE A 80 -2.450 13.793 4.066 1.00 0.00 O ATOM 1262 CB ILE A 80 -0.975 11.595 3.066 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -0.606 10.266 2.422 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.311 11.373 4.546 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -0.566 10.401 0.893 1.00 0.00 C ATOM 0 H ILE A 80 -0.682 13.296 1.323 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.867 11.368 2.056 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.142 12.296 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.365 9.935 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.331 9.504 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.439 10.968 5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.592 12.322 5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.140 10.671 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.301 9.441 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.546 10.710 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.177 11.148 0.613 1.00 0.00 H new ATOM 1277 N THR A 81 -4.208 13.162 2.926 1.00 0.00 N ATOM 1278 CA THR A 81 -5.127 14.038 3.694 1.00 0.00 C ATOM 1279 C THR A 81 -5.671 13.254 4.883 1.00 0.00 C ATOM 1280 O THR A 81 -6.763 13.503 5.353 1.00 0.00 O ATOM 1281 CB THR A 81 -6.259 14.349 2.718 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.069 13.194 2.556 1.00 0.00 O ATOM 1283 CG2 THR A 81 -5.672 14.752 1.366 1.00 0.00 C ATOM 0 H THR A 81 -4.657 12.614 2.193 1.00 0.00 H new ATOM 0 HA THR A 81 -4.647 14.941 4.072 1.00 0.00 H new ATOM 0 HB THR A 81 -6.863 15.168 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.760 13.370 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.481 14.974 0.670 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.047 15.636 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.069 13.934 0.973 1.00 0.00 H new ATOM 1291 N SER A 82 -4.940 12.272 5.342 1.00 0.00 N ATOM 1292 CA SER A 82 -5.440 11.432 6.465 1.00 0.00 C ATOM 1293 C SER A 82 -6.602 10.586 5.942 1.00 0.00 C ATOM 1294 O SER A 82 -6.580 9.376 6.005 1.00 0.00 O ATOM 1295 CB SER A 82 -5.903 12.406 7.546 1.00 0.00 C ATOM 1296 OG SER A 82 -5.926 11.738 8.801 1.00 0.00 O ATOM 0 H SER A 82 -4.019 12.017 4.986 1.00 0.00 H new ATOM 0 HA SER A 82 -4.685 10.758 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.232 13.264 7.590 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.895 12.789 7.306 1.00 0.00 H new ATOM 0 HG SER A 82 -6.221 12.361 9.498 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.605 11.221 5.396 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.756 10.470 4.832 1.00 0.00 C ATOM 1304 C ASP A 83 -8.266 9.496 3.761 1.00 0.00 C ATOM 1305 O ASP A 83 -8.691 8.359 3.706 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.634 11.536 4.194 1.00 0.00 C ATOM 1307 CG ASP A 83 -10.736 11.952 5.170 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -10.407 12.521 6.197 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -11.891 11.690 4.874 1.00 0.00 O ATOM 0 H ASP A 83 -7.673 12.236 5.318 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.285 9.889 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.031 12.402 3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.076 11.153 3.274 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.359 9.919 2.915 1.00 0.00 N ATOM 1315 CA LEU A 84 -6.853 8.984 1.876 1.00 0.00 C ATOM 1316 C LEU A 84 -6.164 7.842 2.593 1.00 0.00 C ATOM 1317 O LEU A 84 -6.229 6.696 2.194 1.00 0.00 O ATOM 1318 CB LEU A 84 -5.871 9.797 1.036 1.00 0.00 C ATOM 1319 CG LEU A 84 -6.650 10.835 0.231 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -5.722 11.505 -0.780 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -7.794 10.145 -0.514 1.00 0.00 C ATOM 0 H LEU A 84 -6.956 10.856 2.901 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.631 8.566 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.142 10.289 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.314 9.141 0.367 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.053 11.588 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.281 12.245 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.904 11.996 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.317 10.753 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.352 10.884 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.387 9.392 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.460 9.667 0.204 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.536 8.157 3.683 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.863 7.104 4.488 1.00 0.00 C ATOM 1335 C LEU A 85 -5.920 6.320 5.255 1.00 0.00 C ATOM 1336 O LEU A 85 -5.854 5.120 5.386 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.973 7.860 5.467 1.00 0.00 C ATOM 1338 CG LEU A 85 -2.778 8.455 4.734 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.730 8.887 5.759 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.169 7.410 3.792 1.00 0.00 C ATOM 0 H LEU A 85 -5.458 9.103 4.056 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.293 6.405 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.543 8.652 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.630 7.187 6.253 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.103 9.315 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.870 9.314 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.160 9.633 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.411 8.022 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.315 7.843 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.841 6.546 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.917 7.097 3.064 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.894 7.003 5.771 1.00 0.00 N ATOM 1353 CA ASP A 86 -7.964 6.310 6.542 1.00 0.00 C ATOM 1354 C ASP A 86 -8.498 5.117 5.748 1.00 0.00 C ATOM 1355 O ASP A 86 -8.739 4.059 6.292 1.00 0.00 O ATOM 1356 CB ASP A 86 -9.055 7.363 6.741 1.00 0.00 C ATOM 1357 CG ASP A 86 -10.145 6.804 7.658 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -10.994 6.081 7.163 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -10.111 7.108 8.838 1.00 0.00 O ATOM 0 H ASP A 86 -7.000 8.015 5.695 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.603 5.918 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.628 8.267 7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.483 7.644 5.779 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.672 5.269 4.465 1.00 0.00 N ATOM 1365 CA LYS A 87 -9.177 4.128 3.654 1.00 0.00 C ATOM 1366 C LYS A 87 -8.007 3.242 3.242 1.00 0.00 C ATOM 1367 O LYS A 87 -8.093 2.031 3.269 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.847 4.762 2.436 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.798 5.869 2.896 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.808 5.292 3.890 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.741 4.323 3.163 1.00 0.00 C ATOM 1372 NZ LYS A 87 -13.135 3.326 4.195 1.00 0.00 N ATOM 0 H LYS A 87 -8.488 6.128 3.946 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.878 3.498 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.092 5.172 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.396 4.006 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.234 6.677 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.318 6.296 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.287 4.776 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.385 6.096 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.612 4.840 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.237 3.845 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.777 2.625 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.286 2.845 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.618 3.810 4.979 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.897 3.830 2.891 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.720 3.003 2.521 1.00 0.00 C ATOM 1388 C ILE A 88 -5.296 2.220 3.765 1.00 0.00 C ATOM 1389 O ILE A 88 -5.138 1.016 3.741 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.652 4.014 2.071 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -4.606 4.040 0.554 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.267 3.631 2.608 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -4.564 5.489 0.066 1.00 0.00 C ATOM 0 H ILE A 88 -6.756 4.839 2.845 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.905 2.279 1.727 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.915 4.996 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.729 3.500 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.480 3.533 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.532 4.363 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.292 3.612 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.992 2.645 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.531 5.505 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.455 6.015 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.676 5.981 0.463 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.154 2.904 4.864 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.785 2.220 6.128 1.00 0.00 C ATOM 1407 C PHE A 89 -5.809 1.138 6.402 1.00 0.00 C ATOM 1408 O PHE A 89 -5.511 0.092 6.945 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.830 3.304 7.204 1.00 0.00 C ATOM 1410 CG PHE A 89 -4.252 2.758 8.488 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -5.050 1.985 9.340 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -2.918 3.021 8.824 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -4.514 1.476 10.529 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -2.383 2.512 10.013 1.00 0.00 C ATOM 1415 CZ PHE A 89 -3.181 1.739 10.865 1.00 0.00 C ATOM 0 H PHE A 89 -5.279 3.914 4.939 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.802 1.750 6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.265 4.178 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.857 3.631 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.078 1.782 9.080 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.302 3.616 8.166 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.129 0.880 11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.355 2.715 10.273 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.768 1.345 11.782 1.00 0.00 H new ATOM 1425 N ALA A 90 -7.011 1.375 5.984 1.00 0.00 N ATOM 1426 CA ALA A 90 -8.069 0.355 6.163 1.00 0.00 C ATOM 1427 C ALA A 90 -7.797 -0.751 5.156 1.00 0.00 C ATOM 1428 O ALA A 90 -8.013 -1.920 5.410 1.00 0.00 O ATOM 1429 CB ALA A 90 -9.388 1.064 5.854 1.00 0.00 C ATOM 0 H ALA A 90 -7.309 2.235 5.524 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.100 -0.077 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.214 0.362 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.523 1.898 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.369 1.438 4.830 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.280 -0.376 4.018 1.00 0.00 N ATOM 1436 CA GLY A 91 -6.938 -1.382 2.987 1.00 0.00 C ATOM 1437 C GLY A 91 -5.733 -2.162 3.498 1.00 0.00 C ATOM 1438 O GLY A 91 -5.664 -3.370 3.394 1.00 0.00 O ATOM 0 H GLY A 91 -7.081 0.591 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.780 -2.050 2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.708 -0.897 2.038 1.00 0.00 H new ATOM 1442 N VAL A 92 -4.794 -1.469 4.088 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.603 -2.155 4.653 1.00 0.00 C ATOM 1444 C VAL A 92 -4.056 -2.996 5.846 1.00 0.00 C ATOM 1445 O VAL A 92 -3.394 -3.927 6.259 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.659 -1.025 5.091 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.764 -1.499 6.241 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -1.778 -0.611 3.910 1.00 0.00 C ATOM 0 H VAL A 92 -4.804 -0.455 4.201 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.106 -2.821 3.948 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.256 -0.177 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.100 -0.689 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.385 -1.793 7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.170 -2.352 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.108 0.191 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.191 -1.467 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.407 -0.262 3.091 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.200 -2.673 6.388 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.729 -3.444 7.544 1.00 0.00 C ATOM 1460 C ASP A 93 -6.441 -4.696 7.035 1.00 0.00 C ATOM 1461 O ASP A 93 -6.535 -5.694 7.721 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.721 -2.498 8.225 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.556 -2.595 9.742 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -7.027 -3.568 10.309 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -5.963 -1.695 10.313 1.00 0.00 O ATOM 0 H ASP A 93 -5.792 -1.903 6.076 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.948 -3.771 8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.549 -1.474 7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.741 -2.758 7.942 1.00 0.00 H new ATOM 1470 N MET A 94 -6.933 -4.652 5.826 1.00 0.00 N ATOM 1471 CA MET A 94 -7.626 -5.837 5.263 1.00 0.00 C ATOM 1472 C MET A 94 -6.585 -6.855 4.804 1.00 0.00 C ATOM 1473 O MET A 94 -6.573 -7.984 5.252 1.00 0.00 O ATOM 1474 CB MET A 94 -8.432 -5.300 4.081 1.00 0.00 C ATOM 1475 CG MET A 94 -9.598 -4.460 4.604 1.00 0.00 C ATOM 1476 SD MET A 94 -11.038 -4.694 3.535 1.00 0.00 S ATOM 1477 CE MET A 94 -10.231 -4.253 1.978 1.00 0.00 C ATOM 0 H MET A 94 -6.883 -3.843 5.206 1.00 0.00 H new ATOM 0 HA MET A 94 -8.271 -6.339 5.984 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.794 -4.696 3.436 1.00 0.00 H new ATOM 0 HB3 MET A 94 -8.806 -6.126 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 94 -9.840 -4.751 5.626 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.318 -3.407 4.630 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.970 -3.848 1.287 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.462 -3.504 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.774 -5.141 1.541 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.695 -6.465 3.928 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.661 -7.411 3.476 1.00 0.00 C ATOM 1489 C ILE A 95 -3.969 -8.018 4.694 1.00 0.00 C ATOM 1490 O ILE A 95 -3.662 -9.190 4.725 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.698 -6.577 2.639 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -3.213 -5.354 3.423 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -4.409 -6.116 1.373 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -2.455 -4.419 2.473 1.00 0.00 C ATOM 0 H ILE A 95 -5.649 -5.534 3.514 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.062 -8.241 2.894 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.833 -7.190 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.060 -4.832 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.564 -5.665 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.726 -5.519 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.734 -6.985 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.277 -5.514 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.106 -3.545 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.600 -4.946 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.119 -4.100 1.670 1.00 0.00 H new ATOM 1506 N THR A 96 -3.752 -7.232 5.712 1.00 0.00 N ATOM 1507 CA THR A 96 -3.113 -7.774 6.939 1.00 0.00 C ATOM 1508 C THR A 96 -4.075 -8.760 7.599 1.00 0.00 C ATOM 1509 O THR A 96 -3.672 -9.746 8.184 1.00 0.00 O ATOM 1510 CB THR A 96 -2.883 -6.562 7.840 1.00 0.00 C ATOM 1511 OG1 THR A 96 -1.805 -5.789 7.327 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.550 -7.030 9.257 1.00 0.00 C ATOM 0 H THR A 96 -3.990 -6.241 5.745 1.00 0.00 H new ATOM 0 HA THR A 96 -2.180 -8.300 6.738 1.00 0.00 H new ATOM 0 HB THR A 96 -3.787 -5.953 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.151 -4.949 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.386 -6.163 9.897 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.378 -7.620 9.649 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.648 -7.641 9.236 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.352 -8.501 7.500 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.346 -9.425 8.112 1.00 0.00 C ATOM 1522 C ARG A 97 -6.450 -10.700 7.279 1.00 0.00 C ATOM 1523 O ARG A 97 -6.372 -11.795 7.799 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.672 -8.663 8.102 1.00 0.00 C ATOM 1525 CG ARG A 97 -7.918 -8.033 9.475 1.00 0.00 C ATOM 1526 CD ARG A 97 -8.517 -6.636 9.294 1.00 0.00 C ATOM 1527 NE ARG A 97 -9.940 -6.770 9.714 1.00 0.00 N ATOM 1528 CZ ARG A 97 -10.673 -5.706 9.899 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -10.154 -4.516 9.755 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -11.929 -5.829 10.231 1.00 0.00 N ATOM 0 H ARG A 97 -5.747 -7.691 7.023 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.065 -9.723 9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.651 -7.889 7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.489 -9.339 7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.594 -8.658 10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.983 -7.970 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.993 -5.900 9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.441 -6.305 8.258 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.343 -7.696 9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.172 -4.416 9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.730 -3.687 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.338 -6.756 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.502 -4.998 10.376 1.00 0.00 H new ATOM 1544 N MET A 98 -6.606 -10.578 5.988 1.00 0.00 N ATOM 1545 CA MET A 98 -6.685 -11.804 5.155 1.00 0.00 C ATOM 1546 C MET A 98 -5.332 -12.490 5.198 1.00 0.00 C ATOM 1547 O MET A 98 -5.231 -13.696 5.131 1.00 0.00 O ATOM 1548 CB MET A 98 -7.027 -11.339 3.738 1.00 0.00 C ATOM 1549 CG MET A 98 -6.073 -10.227 3.310 1.00 0.00 C ATOM 1550 SD MET A 98 -5.866 -10.272 1.514 1.00 0.00 S ATOM 1551 CE MET A 98 -7.427 -9.469 1.082 1.00 0.00 C ATOM 0 H MET A 98 -6.681 -9.695 5.483 1.00 0.00 H new ATOM 0 HA MET A 98 -7.437 -12.511 5.506 1.00 0.00 H new ATOM 0 HB2 MET A 98 -6.957 -12.177 3.044 1.00 0.00 H new ATOM 0 HB3 MET A 98 -8.056 -10.981 3.702 1.00 0.00 H new ATOM 0 HG2 MET A 98 -6.465 -9.258 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 98 -5.108 -10.351 3.802 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.417 -9.199 0.026 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.254 -10.153 1.274 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.553 -8.570 1.685 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.288 -11.723 5.347 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.934 -12.319 5.435 1.00 0.00 C ATOM 1563 C VAL A 99 -2.847 -13.142 6.723 1.00 0.00 C ATOM 1564 O VAL A 99 -2.180 -14.156 6.781 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.986 -11.118 5.474 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.673 -11.504 6.161 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.691 -10.663 4.042 1.00 0.00 C ATOM 0 H VAL A 99 -4.319 -10.705 5.411 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.691 -12.985 4.607 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.457 -10.310 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.007 -10.642 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.878 -11.830 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.198 -12.315 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.016 -9.807 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.225 -11.479 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.622 -10.378 3.552 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.531 -12.716 7.756 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.499 -13.482 9.033 1.00 0.00 C ATOM 1579 C ASP A 100 -4.345 -14.746 8.895 1.00 0.00 C ATOM 1580 O ASP A 100 -4.038 -15.775 9.465 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.092 -12.541 10.080 1.00 0.00 C ATOM 1582 CG ASP A 100 -2.966 -11.770 10.771 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -1.905 -11.653 10.180 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -3.183 -11.311 11.881 1.00 0.00 O ATOM 0 H ASP A 100 -4.107 -11.874 7.767 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.492 -13.798 9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.786 -11.846 9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.661 -13.110 10.815 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.391 -14.690 8.119 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.229 -15.897 7.922 1.00 0.00 C ATOM 1591 C LYS A 101 -5.622 -16.698 6.772 1.00 0.00 C ATOM 1592 O LYS A 101 -5.618 -17.913 6.769 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.636 -15.356 7.622 1.00 0.00 C ATOM 1594 CG LYS A 101 -8.087 -15.674 6.195 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.698 -14.432 5.601 1.00 0.00 C ATOM 1596 CE LYS A 101 -10.084 -14.780 5.070 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.986 -14.723 6.256 1.00 0.00 N ATOM 0 H LYS A 101 -5.699 -13.859 7.614 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.279 -16.570 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.346 -15.784 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.648 -14.277 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.240 -16.004 5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.812 -16.488 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.767 -13.647 6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.070 -14.048 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.399 -14.074 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.094 -15.771 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.579 -15.577 6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.415 -14.670 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.594 -13.882 6.190 1.00 0.00 H new ATOM 1611 N ILE A 102 -5.078 -16.004 5.809 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.429 -16.690 4.667 1.00 0.00 C ATOM 1613 C ILE A 102 -3.244 -17.466 5.221 1.00 0.00 C ATOM 1614 O ILE A 102 -2.925 -18.556 4.792 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.971 -15.560 3.742 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -5.138 -15.127 2.852 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.816 -16.037 2.864 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.674 -14.021 1.905 1.00 0.00 C ATOM 0 H ILE A 102 -5.058 -14.985 5.769 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.075 -17.387 4.132 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.636 -14.718 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.509 -15.978 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.965 -14.771 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.497 -15.226 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.982 -16.343 3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.144 -16.883 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.505 -13.712 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.324 -13.168 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.861 -14.393 1.282 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.614 -16.905 6.210 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.466 -17.592 6.855 1.00 0.00 C ATOM 1632 C VAL A 103 -2.016 -18.723 7.723 1.00 0.00 C ATOM 1633 O VAL A 103 -1.393 -19.751 7.907 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.796 -16.509 7.709 1.00 0.00 C ATOM 1635 CG1 VAL A 103 -0.044 -17.151 8.880 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.193 -15.722 6.846 1.00 0.00 C ATOM 0 H VAL A 103 -2.847 -15.993 6.602 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.757 -18.029 6.151 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.563 -15.840 8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.428 -16.373 9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.745 -17.711 9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.720 -17.826 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.671 -14.951 7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.953 -16.399 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.339 -15.255 6.017 1.00 0.00 H new ATOM 1646 N SER A 104 -3.193 -18.528 8.253 1.00 0.00 N ATOM 1647 CA SER A 104 -3.819 -19.571 9.112 1.00 0.00 C ATOM 1648 C SER A 104 -4.519 -20.622 8.256 1.00 0.00 C ATOM 1649 O SER A 104 -4.701 -21.754 8.655 1.00 0.00 O ATOM 1650 CB SER A 104 -4.842 -18.814 9.953 1.00 0.00 C ATOM 1651 OG SER A 104 -5.140 -19.564 11.124 1.00 0.00 O ATOM 0 H SER A 104 -3.751 -17.684 8.126 1.00 0.00 H new ATOM 0 HA SER A 104 -3.084 -20.098 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.451 -17.834 10.226 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.751 -18.645 9.375 1.00 0.00 H new ATOM 0 HG SER A 104 -5.796 -19.078 11.666 1.00 0.00 H new ATOM 1657 N GLU A 105 -4.915 -20.242 7.085 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.618 -21.196 6.177 1.00 0.00 C ATOM 1659 C GLU A 105 -5.220 -20.940 4.723 1.00 0.00 C ATOM 1660 O GLU A 105 -5.102 -21.852 3.930 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.112 -20.912 6.365 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.425 -20.687 7.845 1.00 0.00 C ATOM 1663 CD GLU A 105 -7.253 -22.001 8.610 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -7.078 -23.020 7.963 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -7.296 -21.964 9.829 1.00 0.00 O ATOM 0 H GLU A 105 -4.785 -19.304 6.706 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.364 -22.231 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.398 -20.033 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.699 -21.748 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.762 -19.926 8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.444 -20.318 7.960 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.024 -19.702 4.365 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.648 -19.386 2.959 1.00 0.00 C ATOM 1674 C GLY A 106 -5.868 -18.830 2.224 1.00 0.00 C ATOM 1675 O GLY A 106 -5.953 -18.887 1.013 1.00 0.00 O ATOM 0 H GLY A 106 -5.108 -18.896 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.836 -18.659 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.284 -20.283 2.457 1.00 0.00 H new ATOM 1679 N SER A 107 -6.813 -18.289 2.944 1.00 0.00 N ATOM 1680 CA SER A 107 -8.021 -17.730 2.275 1.00 0.00 C ATOM 1681 C SER A 107 -8.065 -16.224 2.449 1.00 0.00 C ATOM 1682 O SER A 107 -7.994 -15.716 3.542 1.00 0.00 O ATOM 1683 CB SER A 107 -9.213 -18.377 2.974 1.00 0.00 C ATOM 1684 OG SER A 107 -9.113 -19.790 2.862 1.00 0.00 O ATOM 0 H SER A 107 -6.801 -18.210 3.961 1.00 0.00 H new ATOM 0 HA SER A 107 -8.022 -17.933 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.236 -18.085 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.144 -18.030 2.526 1.00 0.00 H new ATOM 0 HG SER A 107 -9.877 -20.209 3.312 1.00 0.00 H new ATOM 1690 N ASP A 108 -8.203 -15.509 1.377 1.00 0.00 N ATOM 1691 CA ASP A 108 -8.283 -14.031 1.477 1.00 0.00 C ATOM 1692 C ASP A 108 -9.753 -13.632 1.565 1.00 0.00 C ATOM 1693 O ASP A 108 -10.109 -12.479 1.429 1.00 0.00 O ATOM 1694 CB ASP A 108 -7.652 -13.508 0.187 1.00 0.00 C ATOM 1695 CG ASP A 108 -8.593 -13.782 -0.988 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -9.111 -14.885 -1.062 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -8.780 -12.885 -1.793 1.00 0.00 O ATOM 0 H ASP A 108 -8.264 -15.884 0.431 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.774 -13.628 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.460 -12.438 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.690 -13.992 0.017 1.00 0.00 H new ATOM 1702 N ASP A 109 -10.612 -14.595 1.782 1.00 0.00 N ATOM 1703 CA ASP A 109 -12.070 -14.291 1.867 1.00 0.00 C ATOM 1704 C ASP A 109 -12.386 -13.465 3.120 1.00 0.00 C ATOM 1705 O ASP A 109 -13.209 -13.846 3.930 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.754 -15.656 1.941 1.00 0.00 C ATOM 1707 CG ASP A 109 -14.265 -15.481 1.779 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -14.739 -14.376 1.989 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -14.923 -16.454 1.450 1.00 0.00 O ATOM 0 H ASP A 109 -10.366 -15.577 1.904 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.411 -13.703 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.368 -16.311 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.533 -16.134 2.896 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.755 -12.332 3.284 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.045 -11.491 4.484 1.00 0.00 C ATOM 1716 C ILE A 110 -13.088 -10.426 4.135 1.00 0.00 C ATOM 1717 O ILE A 110 -13.150 -9.384 4.756 1.00 0.00 O ATOM 1718 CB ILE A 110 -10.726 -10.809 4.852 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.191 -10.044 3.639 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -9.705 -11.854 5.296 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -9.188 -8.985 4.104 1.00 0.00 C ATOM 0 H ILE A 110 -11.056 -11.954 2.644 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.435 -12.092 5.306 1.00 0.00 H new ATOM 0 HB ILE A 110 -10.898 -10.112 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.712 -10.733 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.013 -9.570 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -8.769 -11.360 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.087 -12.389 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.530 -12.559 4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.807 -8.440 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.682 -8.289 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.360 -9.470 4.621 1.00 0.00 H new ATOM 1733 N GLY A 111 -13.890 -10.662 3.133 1.00 0.00 N ATOM 1734 CA GLY A 111 -14.900 -9.636 2.745 1.00 0.00 C ATOM 1735 C GLY A 111 -14.157 -8.382 2.280 1.00 0.00 C ATOM 1736 O GLY A 111 -14.702 -7.297 2.234 1.00 0.00 O ATOM 0 H GLY A 111 -13.891 -11.513 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -15.540 -10.015 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -15.548 -9.402 3.590 1.00 0.00 H new ATOM 1740 N GLU A 112 -12.903 -8.535 1.948 1.00 0.00 N ATOM 1741 CA GLU A 112 -12.082 -7.370 1.495 1.00 0.00 C ATOM 1742 C GLU A 112 -12.887 -6.432 0.586 1.00 0.00 C ATOM 1743 O GLU A 112 -12.732 -5.227 0.643 1.00 0.00 O ATOM 1744 CB GLU A 112 -10.902 -7.978 0.728 1.00 0.00 C ATOM 1745 CG GLU A 112 -11.371 -9.188 -0.083 1.00 0.00 C ATOM 1746 CD GLU A 112 -10.358 -9.487 -1.190 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -9.285 -9.973 -0.870 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -10.673 -9.229 -2.341 1.00 0.00 O ATOM 0 H GLU A 112 -12.406 -9.425 1.971 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.756 -6.765 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.466 -7.232 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.120 -8.279 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.480 -10.055 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.351 -8.990 -0.517 1.00 0.00 H new ATOM 1755 N ASN A 113 -13.736 -6.958 -0.253 1.00 0.00 N ATOM 1756 CA ASN A 113 -14.525 -6.066 -1.154 1.00 0.00 C ATOM 1757 C ASN A 113 -13.613 -4.999 -1.765 1.00 0.00 C ATOM 1758 O ASN A 113 -13.760 -3.823 -1.506 1.00 0.00 O ATOM 1759 CB ASN A 113 -15.582 -5.430 -0.248 1.00 0.00 C ATOM 1760 CG ASN A 113 -16.462 -6.526 0.355 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -16.085 -7.681 0.377 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -17.630 -6.212 0.848 1.00 0.00 N ATOM 0 H ASN A 113 -13.918 -7.956 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.978 -6.605 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.100 -4.858 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.193 -4.731 -0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.225 -6.936 1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.947 -5.243 0.830 1.00 0.00 H new ATOM 1769 N ILE A 114 -12.669 -5.405 -2.572 1.00 0.00 N ATOM 1770 CA ILE A 114 -11.738 -4.418 -3.197 1.00 0.00 C ATOM 1771 C ILE A 114 -12.496 -3.475 -4.130 1.00 0.00 C ATOM 1772 O ILE A 114 -12.621 -2.298 -3.856 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.736 -5.256 -3.989 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -10.154 -6.353 -3.094 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.608 -4.351 -4.484 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.819 -5.770 -1.720 1.00 0.00 C ATOM 0 H ILE A 114 -12.502 -6.379 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.250 -3.794 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.240 -5.718 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -10.869 -7.169 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.257 -6.772 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.889 -4.943 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.021 -3.572 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.109 -3.892 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.405 -6.552 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.088 -4.969 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.725 -5.372 -1.263 1.00 0.00 H new ATOM 1788 N ASP A 115 -12.998 -3.981 -5.230 1.00 0.00 N ATOM 1789 CA ASP A 115 -13.751 -3.106 -6.178 1.00 0.00 C ATOM 1790 C ASP A 115 -14.618 -2.144 -5.387 1.00 0.00 C ATOM 1791 O ASP A 115 -14.865 -1.020 -5.774 1.00 0.00 O ATOM 1792 CB ASP A 115 -14.621 -4.058 -6.996 1.00 0.00 C ATOM 1793 CG ASP A 115 -15.325 -5.045 -6.063 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -14.635 -5.765 -5.362 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -16.545 -5.066 -6.068 1.00 0.00 O ATOM 0 H ASP A 115 -12.919 -4.958 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.095 -2.514 -6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.358 -3.493 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -14.007 -4.599 -7.716 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.060 -2.602 -4.267 1.00 0.00 N ATOM 1801 CA VAL A 116 -15.907 -1.766 -3.379 1.00 0.00 C ATOM 1802 C VAL A 116 -15.032 -0.863 -2.524 1.00 0.00 C ATOM 1803 O VAL A 116 -15.163 0.345 -2.529 1.00 0.00 O ATOM 1804 CB VAL A 116 -16.655 -2.775 -2.506 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.211 -2.077 -1.264 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -17.809 -3.385 -3.305 1.00 0.00 C ATOM 0 H VAL A 116 -14.870 -3.540 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.586 -1.116 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 116 -15.966 -3.562 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -17.742 -2.801 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.390 -1.645 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.897 -1.286 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.342 -4.104 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.494 -2.596 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.414 -3.890 -4.186 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.136 -1.445 -1.800 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.230 -0.628 -0.939 1.00 0.00 C ATOM 1818 C PHE A 117 -12.438 0.334 -1.817 1.00 0.00 C ATOM 1819 O PHE A 117 -11.912 1.330 -1.358 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.296 -1.626 -0.256 1.00 0.00 C ATOM 1821 CG PHE A 117 -12.812 -1.922 1.130 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -14.117 -2.397 1.300 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -11.989 -1.719 2.245 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -14.600 -2.668 2.585 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -12.472 -1.991 3.530 1.00 0.00 C ATOM 1826 CZ PHE A 117 -13.778 -2.467 3.700 1.00 0.00 C ATOM 0 H PHE A 117 -13.983 -2.453 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.776 -0.036 -0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.238 -2.545 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.286 -1.219 -0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -14.751 -2.554 0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.982 -1.353 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -15.608 -3.033 2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -11.838 -1.834 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 117 -14.151 -2.679 4.691 1.00 0.00 H new ATOM 1836 N SER A 118 -12.372 0.052 -3.086 1.00 0.00 N ATOM 1837 CA SER A 118 -11.650 0.937 -4.015 1.00 0.00 C ATOM 1838 C SER A 118 -12.632 1.947 -4.559 1.00 0.00 C ATOM 1839 O SER A 118 -12.388 3.132 -4.573 1.00 0.00 O ATOM 1840 CB SER A 118 -11.146 0.014 -5.120 1.00 0.00 C ATOM 1841 OG SER A 118 -10.248 0.726 -5.962 1.00 0.00 O ATOM 0 H SER A 118 -12.797 -0.769 -3.518 1.00 0.00 H new ATOM 0 HA SER A 118 -10.827 1.483 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.645 -0.851 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.986 -0.364 -5.703 1.00 0.00 H new ATOM 0 HG SER A 118 -9.923 0.132 -6.671 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.761 1.466 -4.971 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.813 2.373 -5.502 1.00 0.00 C ATOM 1849 C ASP A 119 -15.196 3.356 -4.415 1.00 0.00 C ATOM 1850 O ASP A 119 -15.638 4.456 -4.672 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.990 1.467 -5.871 1.00 0.00 C ATOM 1852 CG ASP A 119 -17.225 2.322 -6.158 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -17.165 3.128 -7.073 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -18.211 2.158 -5.461 1.00 0.00 O ATOM 0 H ASP A 119 -14.007 0.476 -4.965 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.486 2.948 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.740 0.867 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.197 0.773 -5.057 1.00 0.00 H new ATOM 1859 N THR A 120 -14.987 2.965 -3.202 1.00 0.00 N ATOM 1860 CA THR A 120 -15.283 3.863 -2.063 1.00 0.00 C ATOM 1861 C THR A 120 -14.223 4.953 -2.056 1.00 0.00 C ATOM 1862 O THR A 120 -14.503 6.135 -2.074 1.00 0.00 O ATOM 1863 CB THR A 120 -15.197 2.952 -0.827 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.510 2.662 -0.368 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.405 3.624 0.298 1.00 0.00 C ATOM 0 H THR A 120 -14.619 2.049 -2.944 1.00 0.00 H new ATOM 0 HA THR A 120 -16.255 4.355 -2.103 1.00 0.00 H new ATOM 0 HB THR A 120 -14.683 2.033 -1.109 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.460 2.080 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.360 2.958 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.394 3.839 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 120 -14.897 4.554 0.584 1.00 0.00 H new ATOM 1873 N ILE A 121 -13.004 4.531 -2.062 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.870 5.483 -2.092 1.00 0.00 C ATOM 1875 C ILE A 121 -11.895 6.241 -3.427 1.00 0.00 C ATOM 1876 O ILE A 121 -11.643 7.428 -3.486 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.635 4.578 -1.949 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -9.882 4.969 -0.679 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.707 4.697 -3.160 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -8.510 4.288 -0.655 1.00 0.00 C ATOM 0 H ILE A 121 -12.736 3.547 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.892 6.244 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.968 3.542 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.761 6.051 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.458 4.678 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.845 4.043 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -10.246 4.404 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.368 5.728 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -7.979 4.572 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.640 3.206 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -7.933 4.601 -1.525 1.00 0.00 H new ATOM 1892 N LYS A 122 -12.217 5.555 -4.492 1.00 0.00 N ATOM 1893 CA LYS A 122 -12.284 6.211 -5.814 1.00 0.00 C ATOM 1894 C LYS A 122 -13.397 7.245 -5.796 1.00 0.00 C ATOM 1895 O LYS A 122 -13.305 8.295 -6.402 1.00 0.00 O ATOM 1896 CB LYS A 122 -12.602 5.067 -6.769 1.00 0.00 C ATOM 1897 CG LYS A 122 -11.355 4.769 -7.587 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.737 3.445 -7.139 1.00 0.00 C ATOM 1899 CE LYS A 122 -9.338 3.708 -6.574 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.405 3.302 -7.662 1.00 0.00 N ATOM 0 H LYS A 122 -12.437 4.559 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 122 -11.372 6.735 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.912 4.182 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.430 5.338 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.608 4.721 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -10.631 5.576 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.365 2.974 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.679 2.754 -7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.208 4.758 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.163 3.130 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.795 2.529 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.952 2.979 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.816 4.114 -7.935 1.00 0.00 H new ATOM 1914 N SER A 123 -14.441 6.960 -5.078 1.00 0.00 N ATOM 1915 CA SER A 123 -15.563 7.927 -4.983 1.00 0.00 C ATOM 1916 C SER A 123 -15.271 8.927 -3.874 1.00 0.00 C ATOM 1917 O SER A 123 -15.901 9.959 -3.761 1.00 0.00 O ATOM 1918 CB SER A 123 -16.784 7.092 -4.630 1.00 0.00 C ATOM 1919 OG SER A 123 -17.418 6.648 -5.824 1.00 0.00 O ATOM 0 H SER A 123 -14.567 6.096 -4.551 1.00 0.00 H new ATOM 0 HA SER A 123 -15.712 8.486 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.489 6.236 -4.023 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.480 7.681 -4.034 1.00 0.00 H new ATOM 0 HG SER A 123 -17.192 5.708 -5.984 1.00 0.00 H new ATOM 1925 N PHE A 124 -14.305 8.625 -3.062 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.943 9.554 -1.955 1.00 0.00 C ATOM 1927 C PHE A 124 -13.176 10.747 -2.518 1.00 0.00 C ATOM 1928 O PHE A 124 -12.811 11.663 -1.807 1.00 0.00 O ATOM 1929 CB PHE A 124 -13.051 8.736 -1.028 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.802 8.402 0.238 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -15.041 7.754 0.168 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -13.259 8.739 1.483 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -15.737 7.443 1.343 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -13.953 8.428 2.658 1.00 0.00 C ATOM 1935 CZ PHE A 124 -15.192 7.780 2.588 1.00 0.00 C ATOM 0 H PHE A 124 -13.746 7.773 -3.114 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.817 9.945 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.735 7.820 -1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -12.147 9.297 -0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -15.460 7.494 -0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -12.304 9.240 1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -16.693 6.944 1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -13.533 8.688 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 124 -15.728 7.540 3.495 1.00 0.00 H new