USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1032 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 107 TYR OH : rot -85:sc= -1.36 USER MOD Set 1.2: A 111 CYS SG : rot 59:sc= 0.309 USER MOD Set 1.3: A 115 ASN : amide:sc= -0.205 K(o=-1.3,f=-3.4!) USER MOD Set 2.1: A 103 MET CE :methyl 177:sc= -1.97 (180deg=-2.12!) USER MOD Set 2.2: A 123 GLN :FLIP amide:sc= -0.284 F(o=-5,f=-2.3) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= 0.222 USER MOD Set 3.2: A 61 ASN : amide:sc= 0.904 K(o=1.1,f=-2.4!) USER MOD Set 4.1: A 36 MET CE :methyl 153:sc= -2.51 (180deg=-6.72!) USER MOD Set 4.2: A 41 THR OG1 : rot 66:sc= 1.14 USER MOD Single : A 9 GLN :FLIP amide:sc= -5.65! C(o=-6.4!,f=-5.6!) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -0.161 (180deg=-1.01) USER MOD Single : A 12 GLN : amide:sc= -0.517 K(o=-0.52,f=-2.9!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.606 F(o=-2.1!,f=-0.61) USER MOD Single : A 17 TYR OH : rot -35:sc= 0.451! USER MOD Single : A 20 ASN : amide:sc= -1.76! C(o=-1.8!,f=-6!) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.0123 (180deg=-0.193) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -0.296 (180deg=-1.1) USER MOD Single : A 34 SER OG : rot -42:sc= -2.84! USER MOD Single : A 37 GLN : amide:sc= -4.49! C(o=-4.5!,f=-6.3!) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.188 (180deg=-0.415) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 49 MET CE :methyl -150:sc= -0.773 (180deg=-2.79!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -53:sc= 0.758 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -5.31! C(o=-5.3!,f=-6.1!) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.307 (180deg=-0.836) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= -0.293 (180deg=-0.787) USER MOD Single : A 79 GLN : amide:sc= -4.51! C(o=-4.5!,f=-4.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.25) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 62:sc= 1.22 USER MOD Single : A 100 THR OG1 : rot 74:sc= 0.0433 USER MOD Single : A 101 GLN : amide:sc= -8.6! C(o=-8.6!,f=-11!) USER MOD Single : A 102 TYR OH : rot 150:sc= -0.455! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 121:sc= 0.869 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 84:sc= -0.811! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 129 ASN : amide:sc= -16! C(o=-16!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 93 N GLN A 9 -15.464 -2.844 -7.058 1.00 0.00 N ATOM 94 CA GLN A 9 -14.111 -2.475 -7.565 1.00 0.00 C ATOM 95 C GLN A 9 -14.239 -1.296 -8.537 1.00 0.00 C ATOM 96 O GLN A 9 -13.382 -0.440 -8.605 1.00 0.00 O ATOM 97 CB GLN A 9 -13.488 -3.681 -8.285 1.00 0.00 C ATOM 98 CG GLN A 9 -12.581 -4.449 -7.319 1.00 0.00 C ATOM 99 CD GLN A 9 -11.291 -3.656 -7.106 1.00 0.00 C ATOM 100 OE1 GLN A 9 -10.970 -3.264 -5.904 1.00 0.00 O flip ATOM 101 NE2 GLN A 9 -10.568 -3.385 -8.045 1.00 0.00 N flip ATOM 0 HA GLN A 9 -13.471 -2.187 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.273 -4.337 -8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.914 -3.344 -9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.090 -4.602 -6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -12.353 -5.436 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.817 -3.691 -8.986 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.712 -2.852 -7.892 1.00 0.00 H new ATOM 110 N PHE A 10 -15.303 -1.244 -9.295 1.00 0.00 N ATOM 111 CA PHE A 10 -15.471 -0.119 -10.263 1.00 0.00 C ATOM 112 C PHE A 10 -15.396 1.218 -9.523 1.00 0.00 C ATOM 113 O PHE A 10 -14.673 2.112 -9.913 1.00 0.00 O ATOM 114 CB PHE A 10 -16.831 -0.240 -10.953 1.00 0.00 C ATOM 115 CG PHE A 10 -16.972 0.854 -11.982 1.00 0.00 C ATOM 116 CD1 PHE A 10 -16.476 0.667 -13.279 1.00 0.00 C ATOM 117 CD2 PHE A 10 -17.597 2.059 -11.640 1.00 0.00 C ATOM 118 CE1 PHE A 10 -16.605 1.685 -14.232 1.00 0.00 C ATOM 119 CE2 PHE A 10 -17.727 3.077 -12.592 1.00 0.00 C ATOM 120 CZ PHE A 10 -17.231 2.890 -13.888 1.00 0.00 C ATOM 0 H PHE A 10 -16.060 -1.928 -9.286 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.676 -0.164 -11.007 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -16.924 -1.216 -11.429 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -17.632 -0.167 -10.217 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -15.994 -0.263 -13.544 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -17.979 2.203 -10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -16.222 1.541 -15.232 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -18.210 4.006 -12.327 1.00 0.00 H new ATOM 0 HZ PHE A 10 -17.331 3.675 -14.623 1.00 0.00 H new ATOM 130 N LYS A 11 -16.129 1.364 -8.455 1.00 0.00 N ATOM 131 CA LYS A 11 -16.082 2.643 -7.699 1.00 0.00 C ATOM 132 C LYS A 11 -14.655 2.872 -7.201 1.00 0.00 C ATOM 133 O LYS A 11 -14.173 3.986 -7.144 1.00 0.00 O ATOM 134 CB LYS A 11 -17.037 2.555 -6.512 1.00 0.00 C ATOM 135 CG LYS A 11 -18.471 2.413 -7.029 1.00 0.00 C ATOM 136 CD LYS A 11 -19.458 2.415 -5.849 1.00 0.00 C ATOM 137 CE LYS A 11 -19.929 0.986 -5.555 1.00 0.00 C ATOM 138 NZ LYS A 11 -20.666 0.453 -6.736 1.00 0.00 N ATOM 0 H LYS A 11 -16.756 0.655 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.380 3.472 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.778 1.703 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.948 3.447 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.704 3.232 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.572 1.488 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.980 2.838 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.314 3.048 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.074 0.349 -5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.574 0.978 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.440 -0.162 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.058 1.244 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.015 -0.095 -7.333 1.00 0.00 H new ATOM 152 N GLN A 12 -13.980 1.818 -6.840 1.00 0.00 N ATOM 153 CA GLN A 12 -12.581 1.950 -6.343 1.00 0.00 C ATOM 154 C GLN A 12 -11.658 2.434 -7.463 1.00 0.00 C ATOM 155 O GLN A 12 -10.904 3.372 -7.288 1.00 0.00 O ATOM 156 CB GLN A 12 -12.104 0.580 -5.852 1.00 0.00 C ATOM 157 CG GLN A 12 -12.624 0.323 -4.440 1.00 0.00 C ATOM 158 CD GLN A 12 -11.790 1.125 -3.439 1.00 0.00 C ATOM 159 OE1 GLN A 12 -10.599 1.291 -3.620 1.00 0.00 O ATOM 160 NE2 GLN A 12 -12.363 1.627 -2.381 1.00 0.00 N ATOM 0 H GLN A 12 -14.339 0.864 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.555 2.677 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.457 -0.200 -6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.015 0.540 -5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.673 0.610 -4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.568 -0.740 -4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.362 1.489 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.812 2.158 -1.706 1.00 0.00 H new ATOM 169 N VAL A 13 -11.697 1.813 -8.612 1.00 0.00 N ATOM 170 CA VAL A 13 -10.805 2.264 -9.714 1.00 0.00 C ATOM 171 C VAL A 13 -11.336 3.583 -10.272 1.00 0.00 C ATOM 172 O VAL A 13 -10.580 4.462 -10.621 1.00 0.00 O ATOM 173 CB VAL A 13 -10.733 1.200 -10.814 1.00 0.00 C ATOM 174 CG1 VAL A 13 -10.551 -0.189 -10.192 1.00 0.00 C ATOM 175 CG2 VAL A 13 -12.014 1.228 -11.648 1.00 0.00 C ATOM 0 H VAL A 13 -12.302 1.022 -8.832 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.796 2.414 -9.330 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.880 1.415 -11.458 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.501 -0.938 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.628 -0.210 -9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.395 -0.408 -9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.957 0.469 -12.428 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.871 1.024 -11.006 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.129 2.211 -12.105 1.00 0.00 H new ATOM 185 N ARG A 14 -12.625 3.758 -10.330 1.00 0.00 N ATOM 186 CA ARG A 14 -13.148 5.054 -10.838 1.00 0.00 C ATOM 187 C ARG A 14 -12.513 6.156 -10.001 1.00 0.00 C ATOM 188 O ARG A 14 -12.103 7.181 -10.508 1.00 0.00 O ATOM 189 CB ARG A 14 -14.672 5.097 -10.691 1.00 0.00 C ATOM 190 CG ARG A 14 -15.223 6.383 -11.316 1.00 0.00 C ATOM 191 CD ARG A 14 -15.411 6.187 -12.823 1.00 0.00 C ATOM 192 NE ARG A 14 -15.268 7.502 -13.526 1.00 0.00 N ATOM 193 CZ ARG A 14 -15.909 8.565 -13.116 1.00 0.00 C ATOM 194 NH1 ARG A 14 -16.837 8.470 -12.204 1.00 0.00 N ATOM 195 NH2 ARG A 14 -15.658 9.722 -13.665 1.00 0.00 N ATOM 0 H ARG A 14 -13.328 3.073 -10.053 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.906 5.182 -11.893 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.117 4.228 -11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.945 5.049 -9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.174 6.645 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.539 7.211 -11.130 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.674 5.479 -13.202 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -16.394 5.761 -13.024 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.658 7.569 -14.341 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.068 7.560 -11.804 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.331 9.305 -11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.965 9.793 -14.410 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.155 10.555 -13.349 1.00 0.00 H new ATOM 209 N GLN A 15 -12.400 5.936 -8.722 1.00 0.00 N ATOM 210 CA GLN A 15 -11.760 6.951 -7.852 1.00 0.00 C ATOM 211 C GLN A 15 -10.331 7.175 -8.336 1.00 0.00 C ATOM 212 O GLN A 15 -9.795 8.256 -8.229 1.00 0.00 O ATOM 213 CB GLN A 15 -11.743 6.449 -6.402 1.00 0.00 C ATOM 214 CG GLN A 15 -13.152 6.528 -5.812 1.00 0.00 C ATOM 215 CD GLN A 15 -13.461 7.979 -5.432 1.00 0.00 C ATOM 216 OE1 GLN A 15 -13.770 8.838 -6.366 1.00 0.00 O flip ATOM 217 NE2 GLN A 15 -13.413 8.337 -4.272 1.00 0.00 N flip ATOM 0 H GLN A 15 -12.724 5.095 -8.244 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.318 7.886 -7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.381 5.422 -6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.055 7.050 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.882 6.166 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.228 5.886 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.172 7.668 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.614 9.307 -4.029 1.00 0.00 H new ATOM 226 N LEU A 16 -9.711 6.160 -8.872 1.00 0.00 N ATOM 227 CA LEU A 16 -8.313 6.320 -9.362 1.00 0.00 C ATOM 228 C LEU A 16 -8.266 7.188 -10.626 1.00 0.00 C ATOM 229 O LEU A 16 -7.347 7.960 -10.811 1.00 0.00 O ATOM 230 CB LEU A 16 -7.692 4.950 -9.663 1.00 0.00 C ATOM 231 CG LEU A 16 -7.031 4.383 -8.408 1.00 0.00 C ATOM 232 CD1 LEU A 16 -6.684 2.917 -8.651 1.00 0.00 C ATOM 233 CD2 LEU A 16 -5.743 5.156 -8.093 1.00 0.00 C ATOM 0 H LEU A 16 -10.111 5.229 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.742 6.814 -8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.461 4.264 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.955 5.044 -10.460 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.718 4.476 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.211 2.503 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.594 2.359 -8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.998 2.840 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.281 4.743 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.052 5.068 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.981 6.207 -7.927 1.00 0.00 H new ATOM 245 N TYR A 17 -9.224 7.073 -11.509 1.00 0.00 N ATOM 246 CA TYR A 17 -9.169 7.904 -12.745 1.00 0.00 C ATOM 247 C TYR A 17 -9.643 9.326 -12.450 1.00 0.00 C ATOM 248 O TYR A 17 -9.190 10.275 -13.059 1.00 0.00 O ATOM 249 CB TYR A 17 -10.054 7.288 -13.833 1.00 0.00 C ATOM 250 CG TYR A 17 -9.542 5.911 -14.187 1.00 0.00 C ATOM 251 CD1 TYR A 17 -8.537 5.753 -15.151 1.00 0.00 C ATOM 252 CD2 TYR A 17 -10.074 4.793 -13.546 1.00 0.00 C ATOM 253 CE1 TYR A 17 -8.070 4.472 -15.471 1.00 0.00 C ATOM 254 CE2 TYR A 17 -9.608 3.512 -13.860 1.00 0.00 C ATOM 255 CZ TYR A 17 -8.607 3.351 -14.823 1.00 0.00 C ATOM 256 OH TYR A 17 -8.145 2.087 -15.126 1.00 0.00 O ATOM 0 H TYR A 17 -10.028 6.451 -11.430 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.137 7.936 -13.093 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.085 7.225 -13.484 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.055 7.925 -14.718 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.123 6.619 -15.647 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.849 4.916 -12.804 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.298 4.348 -16.216 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.021 2.649 -13.359 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.915 2.042 -16.078 1.00 0.00 H new ATOM 266 N GLU A 18 -10.572 9.490 -11.546 1.00 0.00 N ATOM 267 CA GLU A 18 -11.084 10.861 -11.254 1.00 0.00 C ATOM 268 C GLU A 18 -9.989 11.716 -10.626 1.00 0.00 C ATOM 269 O GLU A 18 -9.971 12.922 -10.771 1.00 0.00 O ATOM 270 CB GLU A 18 -12.270 10.770 -10.292 1.00 0.00 C ATOM 271 CG GLU A 18 -13.444 10.080 -10.990 1.00 0.00 C ATOM 272 CD GLU A 18 -14.649 10.047 -10.048 1.00 0.00 C ATOM 273 OE1 GLU A 18 -14.479 10.389 -8.888 1.00 0.00 O ATOM 274 OE2 GLU A 18 -15.720 9.681 -10.500 1.00 0.00 O ATOM 0 H GLU A 18 -10.996 8.740 -11.000 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.401 11.323 -12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.986 10.213 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.563 11.767 -9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.700 10.612 -11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.165 9.066 -11.277 1.00 0.00 H new ATOM 281 N ILE A 19 -9.095 11.100 -9.910 1.00 0.00 N ATOM 282 CA ILE A 19 -8.005 11.855 -9.244 1.00 0.00 C ATOM 283 C ILE A 19 -7.542 13.025 -10.121 1.00 0.00 C ATOM 284 O ILE A 19 -7.272 14.102 -9.626 1.00 0.00 O ATOM 285 CB ILE A 19 -6.863 10.885 -8.968 1.00 0.00 C ATOM 286 CG1 ILE A 19 -7.209 10.084 -7.715 1.00 0.00 C ATOM 287 CG2 ILE A 19 -5.560 11.637 -8.740 1.00 0.00 C ATOM 288 CD1 ILE A 19 -6.346 8.833 -7.645 1.00 0.00 C ATOM 0 H ILE A 19 -9.074 10.092 -9.757 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.359 12.283 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.733 10.226 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.051 10.696 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.264 9.809 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.758 10.925 -8.545 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.318 12.222 -9.627 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.669 12.304 -7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.598 8.267 -6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.526 8.217 -8.526 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.294 9.118 -7.610 1.00 0.00 H new ATOM 300 N ASN A 20 -7.436 12.839 -11.409 1.00 0.00 N ATOM 301 CA ASN A 20 -6.978 13.971 -12.268 1.00 0.00 C ATOM 302 C ASN A 20 -7.117 13.618 -13.750 1.00 0.00 C ATOM 303 O ASN A 20 -7.293 12.475 -14.122 1.00 0.00 O ATOM 304 CB ASN A 20 -5.510 14.274 -11.967 1.00 0.00 C ATOM 305 CG ASN A 20 -4.631 13.156 -12.530 1.00 0.00 C ATOM 306 OD1 ASN A 20 -5.116 12.092 -12.859 1.00 0.00 O ATOM 307 ND2 ASN A 20 -3.346 13.355 -12.655 1.00 0.00 N ATOM 0 H ASN A 20 -7.642 11.968 -11.898 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.597 14.842 -12.052 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.227 15.230 -12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.359 14.362 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.750 12.617 -13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.939 14.249 -12.379 1.00 0.00 H new ATOM 314 N ASP A 21 -7.049 14.614 -14.595 1.00 0.00 N ATOM 315 CA ASP A 21 -7.187 14.378 -16.061 1.00 0.00 C ATOM 316 C ASP A 21 -5.813 14.129 -16.685 1.00 0.00 C ATOM 317 O ASP A 21 -5.339 14.902 -17.494 1.00 0.00 O ATOM 318 CB ASP A 21 -7.825 15.608 -16.711 1.00 0.00 C ATOM 319 CG ASP A 21 -9.257 15.772 -16.199 1.00 0.00 C ATOM 320 OD1 ASP A 21 -9.771 14.829 -15.621 1.00 0.00 O ATOM 321 OD2 ASP A 21 -9.816 16.840 -16.393 1.00 0.00 O ATOM 0 H ASP A 21 -6.903 15.588 -14.329 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.816 13.503 -16.226 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.241 16.499 -16.480 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.826 15.500 -17.796 1.00 0.00 H new ATOM 326 N ASP A 22 -5.176 13.049 -16.324 1.00 0.00 N ATOM 327 CA ASP A 22 -3.835 12.736 -16.902 1.00 0.00 C ATOM 328 C ASP A 22 -3.956 11.487 -17.789 1.00 0.00 C ATOM 329 O ASP A 22 -3.905 10.375 -17.302 1.00 0.00 O ATOM 330 CB ASP A 22 -2.847 12.460 -15.765 1.00 0.00 C ATOM 331 CG ASP A 22 -1.479 12.105 -16.353 1.00 0.00 C ATOM 332 OD1 ASP A 22 -1.287 10.950 -16.695 1.00 0.00 O ATOM 333 OD2 ASP A 22 -0.648 12.993 -16.448 1.00 0.00 O ATOM 0 H ASP A 22 -5.526 12.367 -15.652 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.479 13.578 -17.496 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.762 13.336 -15.122 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.211 11.642 -15.143 1.00 0.00 H new ATOM 338 N PRO A 23 -4.128 11.660 -19.081 1.00 0.00 N ATOM 339 CA PRO A 23 -4.270 10.515 -20.029 1.00 0.00 C ATOM 340 C PRO A 23 -3.185 9.455 -19.823 1.00 0.00 C ATOM 341 O PRO A 23 -3.453 8.271 -19.844 1.00 0.00 O ATOM 342 CB PRO A 23 -4.133 11.164 -21.409 1.00 0.00 C ATOM 343 CG PRO A 23 -4.557 12.581 -21.219 1.00 0.00 C ATOM 344 CD PRO A 23 -4.206 12.955 -19.779 1.00 0.00 C ATOM 0 HA PRO A 23 -5.214 9.988 -19.890 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.107 11.105 -21.771 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.760 10.661 -22.145 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.046 13.236 -21.925 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.626 12.692 -21.398 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.260 13.494 -19.726 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.966 13.600 -19.338 1.00 0.00 H new ATOM 352 N LYS A 24 -1.968 9.868 -19.609 1.00 0.00 N ATOM 353 CA LYS A 24 -0.881 8.876 -19.386 1.00 0.00 C ATOM 354 C LYS A 24 -1.231 8.042 -18.152 1.00 0.00 C ATOM 355 O LYS A 24 -1.044 6.842 -18.123 1.00 0.00 O ATOM 356 CB LYS A 24 0.439 9.621 -19.152 1.00 0.00 C ATOM 357 CG LYS A 24 1.593 8.625 -18.986 1.00 0.00 C ATOM 358 CD LYS A 24 1.997 8.059 -20.350 1.00 0.00 C ATOM 359 CE LYS A 24 3.344 7.345 -20.223 1.00 0.00 C ATOM 360 NZ LYS A 24 4.436 8.356 -20.144 1.00 0.00 N ATOM 0 H LYS A 24 -1.680 10.846 -19.579 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.775 8.225 -20.254 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.642 10.286 -19.991 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.359 10.246 -18.262 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.446 9.119 -18.521 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.292 7.815 -18.322 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.237 7.365 -20.708 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.066 8.862 -21.084 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.352 6.715 -19.333 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.502 6.689 -21.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.344 7.906 -20.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.246 9.125 -20.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.481 8.743 -19.180 1.00 0.00 H new ATOM 374 N ARG A 25 -1.742 8.679 -17.136 1.00 0.00 N ATOM 375 CA ARG A 25 -2.117 7.950 -15.894 1.00 0.00 C ATOM 376 C ARG A 25 -3.196 6.908 -16.200 1.00 0.00 C ATOM 377 O ARG A 25 -3.191 5.819 -15.662 1.00 0.00 O ATOM 378 CB ARG A 25 -2.651 8.951 -14.873 1.00 0.00 C ATOM 379 CG ARG A 25 -2.942 8.235 -13.555 1.00 0.00 C ATOM 380 CD ARG A 25 -3.379 9.262 -12.511 1.00 0.00 C ATOM 381 NE ARG A 25 -3.573 8.593 -11.197 1.00 0.00 N ATOM 382 CZ ARG A 25 -3.602 9.306 -10.108 1.00 0.00 C ATOM 383 NH1 ARG A 25 -3.408 10.595 -10.170 1.00 0.00 N ATOM 384 NH2 ARG A 25 -3.813 8.732 -8.957 1.00 0.00 N ATOM 0 H ARG A 25 -1.917 9.684 -17.114 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.240 7.442 -15.494 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.923 9.746 -14.713 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.559 9.422 -15.251 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.723 7.489 -13.698 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.054 7.705 -13.211 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.628 10.047 -12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.306 9.742 -12.825 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.683 7.580 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.234 11.042 -11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.430 11.156 -9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.956 7.723 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.835 9.292 -8.105 1.00 0.00 H new ATOM 398 N LYS A 26 -4.129 7.237 -17.052 1.00 0.00 N ATOM 399 CA LYS A 26 -5.214 6.269 -17.381 1.00 0.00 C ATOM 400 C LYS A 26 -4.600 4.999 -17.973 1.00 0.00 C ATOM 401 O LYS A 26 -4.911 3.896 -17.569 1.00 0.00 O ATOM 402 CB LYS A 26 -6.148 6.914 -18.409 1.00 0.00 C ATOM 403 CG LYS A 26 -7.330 5.989 -18.694 1.00 0.00 C ATOM 404 CD LYS A 26 -8.203 6.605 -19.790 1.00 0.00 C ATOM 405 CE LYS A 26 -9.461 5.754 -19.980 1.00 0.00 C ATOM 406 NZ LYS A 26 -10.119 5.536 -18.661 1.00 0.00 N ATOM 0 H LYS A 26 -4.187 8.134 -17.534 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.772 6.011 -16.481 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.508 7.872 -18.035 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.603 7.116 -19.331 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.972 5.008 -19.007 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.916 5.840 -17.787 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.478 7.625 -19.520 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.645 6.662 -20.725 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.149 6.251 -20.664 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.200 4.796 -20.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.125 5.318 -18.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.660 4.742 -18.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.032 6.396 -18.083 1.00 0.00 H new ATOM 420 N GLU A 27 -3.730 5.153 -18.928 1.00 0.00 N ATOM 421 CA GLU A 27 -3.091 3.960 -19.552 1.00 0.00 C ATOM 422 C GLU A 27 -2.472 3.087 -18.460 1.00 0.00 C ATOM 423 O GLU A 27 -2.518 1.875 -18.517 1.00 0.00 O ATOM 424 CB GLU A 27 -1.998 4.412 -20.522 1.00 0.00 C ATOM 425 CG GLU A 27 -2.624 5.215 -21.665 1.00 0.00 C ATOM 426 CD GLU A 27 -1.536 5.607 -22.666 1.00 0.00 C ATOM 427 OE1 GLU A 27 -0.374 5.394 -22.360 1.00 0.00 O ATOM 428 OE2 GLU A 27 -1.883 6.114 -23.720 1.00 0.00 O ATOM 0 H GLU A 27 -3.432 6.053 -19.305 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.843 3.388 -20.095 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.262 5.021 -19.997 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.470 3.545 -20.920 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.394 4.623 -22.161 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.111 6.108 -21.273 1.00 0.00 H new ATOM 435 N PHE A 28 -1.893 3.696 -17.463 1.00 0.00 N ATOM 436 CA PHE A 28 -1.268 2.913 -16.360 1.00 0.00 C ATOM 437 C PHE A 28 -2.336 2.128 -15.609 1.00 0.00 C ATOM 438 O PHE A 28 -2.312 0.916 -15.559 1.00 0.00 O ATOM 439 CB PHE A 28 -0.622 3.886 -15.392 1.00 0.00 C ATOM 440 CG PHE A 28 0.169 3.126 -14.369 1.00 0.00 C ATOM 441 CD1 PHE A 28 1.504 2.819 -14.633 1.00 0.00 C ATOM 442 CD2 PHE A 28 -0.413 2.758 -13.147 1.00 0.00 C ATOM 443 CE1 PHE A 28 2.265 2.141 -13.686 1.00 0.00 C ATOM 444 CE2 PHE A 28 0.348 2.073 -12.197 1.00 0.00 C ATOM 445 CZ PHE A 28 1.690 1.764 -12.465 1.00 0.00 C ATOM 0 H PHE A 28 -1.825 4.709 -17.364 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.533 2.223 -16.774 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.028 4.574 -15.932 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.387 4.489 -14.901 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.948 3.108 -15.574 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.445 3.003 -12.942 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.299 1.905 -13.892 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.096 1.781 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.280 1.236 -11.730 1.00 0.00 H new ATOM 455 N LEU A 29 -3.276 2.811 -15.023 1.00 0.00 N ATOM 456 CA LEU A 29 -4.349 2.112 -14.272 1.00 0.00 C ATOM 457 C LEU A 29 -5.021 1.105 -15.199 1.00 0.00 C ATOM 458 O LEU A 29 -5.234 -0.037 -14.847 1.00 0.00 O ATOM 459 CB LEU A 29 -5.378 3.148 -13.826 1.00 0.00 C ATOM 460 CG LEU A 29 -4.695 4.224 -12.978 1.00 0.00 C ATOM 461 CD1 LEU A 29 -5.663 5.395 -12.772 1.00 0.00 C ATOM 462 CD2 LEU A 29 -4.285 3.638 -11.613 1.00 0.00 C ATOM 0 H LEU A 29 -3.347 3.829 -15.033 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.936 1.596 -13.405 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.850 3.603 -14.696 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.168 2.665 -13.251 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.801 4.576 -13.492 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.181 6.164 -12.168 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.939 5.813 -13.740 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.558 5.041 -12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.800 4.410 -11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.171 3.279 -11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.593 2.810 -11.766 1.00 0.00 H new ATOM 474 N ASP A 30 -5.346 1.524 -16.390 1.00 0.00 N ATOM 475 CA ASP A 30 -5.996 0.586 -17.350 1.00 0.00 C ATOM 476 C ASP A 30 -5.044 -0.571 -17.645 1.00 0.00 C ATOM 477 O ASP A 30 -5.415 -1.726 -17.583 1.00 0.00 O ATOM 478 CB ASP A 30 -6.312 1.310 -18.662 1.00 0.00 C ATOM 479 CG ASP A 30 -7.498 2.256 -18.469 1.00 0.00 C ATOM 480 OD1 ASP A 30 -8.059 2.259 -17.389 1.00 0.00 O ATOM 481 OD2 ASP A 30 -7.828 2.959 -19.408 1.00 0.00 O ATOM 0 H ASP A 30 -5.191 2.470 -16.740 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.921 0.213 -16.910 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.439 1.872 -18.995 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.540 0.583 -19.442 1.00 0.00 H new ATOM 486 N ASP A 31 -3.815 -0.269 -17.965 1.00 0.00 N ATOM 487 CA ASP A 31 -2.839 -1.349 -18.263 1.00 0.00 C ATOM 488 C ASP A 31 -2.560 -2.157 -16.997 1.00 0.00 C ATOM 489 O ASP A 31 -2.467 -3.364 -17.034 1.00 0.00 O ATOM 490 CB ASP A 31 -1.535 -0.733 -18.772 1.00 0.00 C ATOM 491 CG ASP A 31 -0.630 -1.835 -19.325 1.00 0.00 C ATOM 492 OD1 ASP A 31 -1.067 -2.975 -19.350 1.00 0.00 O ATOM 493 OD2 ASP A 31 0.481 -1.522 -19.716 1.00 0.00 O ATOM 0 H ASP A 31 -3.447 0.680 -18.032 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.254 -2.007 -19.026 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.747 0.002 -19.549 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.030 -0.205 -17.963 1.00 0.00 H new ATOM 498 N LEU A 32 -2.401 -1.503 -15.880 1.00 0.00 N ATOM 499 CA LEU A 32 -2.101 -2.250 -14.626 1.00 0.00 C ATOM 500 C LEU A 32 -3.201 -3.266 -14.343 1.00 0.00 C ATOM 501 O LEU A 32 -2.930 -4.424 -14.109 1.00 0.00 O ATOM 502 CB LEU A 32 -1.976 -1.274 -13.451 1.00 0.00 C ATOM 503 CG LEU A 32 -1.654 -2.040 -12.158 1.00 0.00 C ATOM 504 CD1 LEU A 32 -0.249 -2.634 -12.232 1.00 0.00 C ATOM 505 CD2 LEU A 32 -1.704 -1.078 -10.979 1.00 0.00 C ATOM 0 H LEU A 32 -2.465 -0.490 -15.781 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.156 -2.779 -14.750 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.192 -0.545 -13.656 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.905 -0.717 -13.331 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.385 -2.839 -12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.033 -3.174 -11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.188 -3.320 -13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.478 -1.833 -12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.476 -1.617 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.971 -0.285 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.701 -0.643 -10.907 1.00 0.00 H new ATOM 517 N PHE A 33 -4.442 -2.869 -14.365 1.00 0.00 N ATOM 518 CA PHE A 33 -5.501 -3.872 -14.090 1.00 0.00 C ATOM 519 C PHE A 33 -5.404 -4.951 -15.167 1.00 0.00 C ATOM 520 O PHE A 33 -5.615 -6.120 -14.914 1.00 0.00 O ATOM 521 CB PHE A 33 -6.893 -3.229 -14.140 1.00 0.00 C ATOM 522 CG PHE A 33 -7.035 -2.159 -13.076 1.00 0.00 C ATOM 523 CD1 PHE A 33 -6.860 -2.474 -11.718 1.00 0.00 C ATOM 524 CD2 PHE A 33 -7.354 -0.847 -13.451 1.00 0.00 C ATOM 525 CE1 PHE A 33 -7.006 -1.473 -10.744 1.00 0.00 C ATOM 526 CE2 PHE A 33 -7.501 0.148 -12.477 1.00 0.00 C ATOM 527 CZ PHE A 33 -7.327 -0.162 -11.125 1.00 0.00 C ATOM 0 H PHE A 33 -4.761 -1.919 -14.556 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.360 -4.291 -13.094 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.061 -2.792 -15.125 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.656 -3.994 -13.996 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.614 -3.484 -11.424 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.487 -0.603 -14.495 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.871 -1.713 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.749 1.157 -12.771 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.440 0.607 -10.375 1.00 0.00 H new ATOM 537 N SER A 34 -5.063 -4.562 -16.367 1.00 0.00 N ATOM 538 CA SER A 34 -4.924 -5.560 -17.466 1.00 0.00 C ATOM 539 C SER A 34 -3.682 -6.415 -17.220 1.00 0.00 C ATOM 540 O SER A 34 -3.732 -7.629 -17.220 1.00 0.00 O ATOM 541 CB SER A 34 -4.768 -4.826 -18.795 1.00 0.00 C ATOM 542 OG SER A 34 -3.440 -4.332 -18.904 1.00 0.00 O ATOM 0 H SER A 34 -4.875 -3.595 -16.633 1.00 0.00 H new ATOM 0 HA SER A 34 -5.809 -6.196 -17.495 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.987 -5.499 -19.624 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.481 -4.003 -18.855 1.00 0.00 H new ATOM 0 HG SER A 34 -3.160 -3.953 -18.045 1.00 0.00 H new ATOM 548 N PHE A 35 -2.560 -5.775 -17.036 1.00 0.00 N ATOM 549 CA PHE A 35 -1.282 -6.503 -16.815 1.00 0.00 C ATOM 550 C PHE A 35 -1.398 -7.427 -15.604 1.00 0.00 C ATOM 551 O PHE A 35 -0.964 -8.561 -15.634 1.00 0.00 O ATOM 552 CB PHE A 35 -0.201 -5.456 -16.553 1.00 0.00 C ATOM 553 CG PHE A 35 1.166 -6.078 -16.623 1.00 0.00 C ATOM 554 CD1 PHE A 35 1.690 -6.449 -17.863 1.00 0.00 C ATOM 555 CD2 PHE A 35 1.923 -6.249 -15.457 1.00 0.00 C ATOM 556 CE1 PHE A 35 2.974 -6.992 -17.944 1.00 0.00 C ATOM 557 CE2 PHE A 35 3.208 -6.796 -15.536 1.00 0.00 C ATOM 558 CZ PHE A 35 3.734 -7.164 -16.782 1.00 0.00 C ATOM 0 H PHE A 35 -2.476 -4.759 -17.030 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.039 -7.112 -17.686 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.279 -4.653 -17.286 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.352 -5.007 -15.571 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.102 -6.316 -18.759 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.516 -5.959 -14.500 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.380 -7.279 -18.903 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.793 -6.934 -14.639 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.728 -7.581 -16.845 1.00 0.00 H new ATOM 568 N MET A 36 -1.973 -6.950 -14.539 1.00 0.00 N ATOM 569 CA MET A 36 -2.109 -7.801 -13.327 1.00 0.00 C ATOM 570 C MET A 36 -2.860 -9.083 -13.688 1.00 0.00 C ATOM 571 O MET A 36 -2.586 -10.141 -13.158 1.00 0.00 O ATOM 572 CB MET A 36 -2.882 -7.029 -12.258 1.00 0.00 C ATOM 573 CG MET A 36 -2.053 -5.827 -11.802 1.00 0.00 C ATOM 574 SD MET A 36 -0.871 -6.344 -10.536 1.00 0.00 S ATOM 575 CE MET A 36 -2.010 -6.253 -9.134 1.00 0.00 C ATOM 0 H MET A 36 -2.355 -6.008 -14.455 1.00 0.00 H new ATOM 0 HA MET A 36 -1.122 -8.061 -12.944 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.840 -6.694 -12.656 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.099 -7.678 -11.410 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.524 -5.395 -12.652 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.708 -5.051 -11.406 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.689 -6.949 -8.359 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.013 -5.239 -8.733 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.015 -6.516 -9.464 1.00 0.00 H new ATOM 585 N GLN A 37 -3.798 -9.003 -14.592 1.00 0.00 N ATOM 586 CA GLN A 37 -4.545 -10.230 -14.982 1.00 0.00 C ATOM 587 C GLN A 37 -3.533 -11.294 -15.406 1.00 0.00 C ATOM 588 O GLN A 37 -3.646 -12.452 -15.056 1.00 0.00 O ATOM 589 CB GLN A 37 -5.476 -9.909 -16.154 1.00 0.00 C ATOM 590 CG GLN A 37 -6.587 -10.959 -16.230 1.00 0.00 C ATOM 591 CD GLN A 37 -5.969 -12.348 -16.394 1.00 0.00 C ATOM 592 OE1 GLN A 37 -5.011 -12.518 -17.122 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.481 -13.359 -15.745 1.00 0.00 N ATOM 0 H GLN A 37 -4.077 -8.148 -15.073 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.141 -10.592 -14.144 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.908 -8.916 -16.027 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.912 -9.894 -17.086 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.196 -10.925 -15.327 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.249 -10.743 -17.069 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.285 -13.218 -15.134 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.077 -14.290 -15.850 1.00 0.00 H new ATOM 602 N LYS A 38 -2.528 -10.898 -16.140 1.00 0.00 N ATOM 603 CA LYS A 38 -1.482 -11.865 -16.572 1.00 0.00 C ATOM 604 C LYS A 38 -0.693 -12.346 -15.352 1.00 0.00 C ATOM 605 O LYS A 38 -0.329 -13.500 -15.243 1.00 0.00 O ATOM 606 CB LYS A 38 -0.537 -11.165 -17.550 1.00 0.00 C ATOM 607 CG LYS A 38 0.705 -12.026 -17.766 1.00 0.00 C ATOM 608 CD LYS A 38 1.545 -11.438 -18.906 1.00 0.00 C ATOM 609 CE LYS A 38 2.094 -10.065 -18.499 1.00 0.00 C ATOM 610 NZ LYS A 38 1.186 -8.998 -19.008 1.00 0.00 N ATOM 0 H LYS A 38 -2.387 -9.940 -16.460 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.948 -12.723 -17.057 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.043 -10.993 -18.500 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.251 -10.188 -17.160 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.295 -12.068 -16.850 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.414 -13.049 -18.005 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.368 -12.111 -19.147 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.937 -11.344 -19.806 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.176 -10.001 -17.414 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.097 -9.928 -18.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.638 -8.069 -18.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.995 -9.157 -20.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.291 -9.022 -18.478 1.00 0.00 H new ATOM 624 N ARG A 39 -0.410 -11.451 -14.454 1.00 0.00 N ATOM 625 CA ARG A 39 0.380 -11.820 -13.248 1.00 0.00 C ATOM 626 C ARG A 39 -0.403 -12.820 -12.399 1.00 0.00 C ATOM 627 O ARG A 39 0.172 -13.647 -11.720 1.00 0.00 O ATOM 628 CB ARG A 39 0.648 -10.565 -12.418 1.00 0.00 C ATOM 629 CG ARG A 39 1.278 -9.491 -13.299 1.00 0.00 C ATOM 630 CD ARG A 39 2.503 -10.064 -14.008 1.00 0.00 C ATOM 631 NE ARG A 39 3.231 -10.970 -13.075 1.00 0.00 N ATOM 632 CZ ARG A 39 4.145 -11.784 -13.528 1.00 0.00 C ATOM 633 NH1 ARG A 39 4.417 -11.815 -14.804 1.00 0.00 N ATOM 634 NH2 ARG A 39 4.786 -12.568 -12.705 1.00 0.00 N ATOM 0 H ARG A 39 -0.693 -10.472 -14.502 1.00 0.00 H new ATOM 0 HA ARG A 39 1.322 -12.270 -13.561 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.283 -10.196 -11.988 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.311 -10.802 -11.586 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.553 -9.137 -14.032 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.565 -8.631 -12.693 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.199 -10.610 -14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.159 -9.257 -14.336 1.00 0.00 H new ATOM 0 HE ARG A 39 3.014 -10.954 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.915 -11.203 -15.447 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.131 -12.451 -15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.573 -12.545 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.500 -13.204 -13.059 1.00 0.00 H new ATOM 648 N GLY A 40 -1.705 -12.752 -12.413 1.00 0.00 N ATOM 649 CA GLY A 40 -2.492 -13.701 -11.585 1.00 0.00 C ATOM 650 C GLY A 40 -2.797 -13.028 -10.254 1.00 0.00 C ATOM 651 O GLY A 40 -3.434 -13.591 -9.388 1.00 0.00 O ATOM 0 H GLY A 40 -2.252 -12.086 -12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.416 -13.974 -12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.932 -14.622 -11.426 1.00 0.00 H new ATOM 655 N THR A 41 -2.352 -11.808 -10.097 1.00 0.00 N ATOM 656 CA THR A 41 -2.620 -11.067 -8.835 1.00 0.00 C ATOM 657 C THR A 41 -3.467 -9.846 -9.174 1.00 0.00 C ATOM 658 O THR A 41 -2.950 -8.769 -9.380 1.00 0.00 O ATOM 659 CB THR A 41 -1.299 -10.591 -8.221 1.00 0.00 C ATOM 660 OG1 THR A 41 -0.659 -9.699 -9.122 1.00 0.00 O ATOM 661 CG2 THR A 41 -0.385 -11.785 -7.951 1.00 0.00 C ATOM 0 H THR A 41 -1.813 -11.294 -10.793 1.00 0.00 H new ATOM 0 HA THR A 41 -3.134 -11.716 -8.126 1.00 0.00 H new ATOM 0 HB THR A 41 -1.504 -10.082 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.195 -8.883 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.551 -11.436 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.875 -12.469 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.178 -12.303 -8.887 1.00 0.00 H new ATOM 669 N PRO A 42 -4.759 -10.012 -9.239 1.00 0.00 N ATOM 670 CA PRO A 42 -5.690 -8.905 -9.567 1.00 0.00 C ATOM 671 C PRO A 42 -6.023 -8.073 -8.326 1.00 0.00 C ATOM 672 O PRO A 42 -6.077 -8.584 -7.225 1.00 0.00 O ATOM 673 CB PRO A 42 -6.911 -9.645 -10.103 1.00 0.00 C ATOM 674 CG PRO A 42 -6.939 -10.935 -9.352 1.00 0.00 C ATOM 675 CD PRO A 42 -5.483 -11.274 -9.008 1.00 0.00 C ATOM 0 HA PRO A 42 -5.282 -8.186 -10.278 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.824 -9.072 -9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.830 -9.815 -11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.540 -10.843 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.389 -11.724 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.384 -11.607 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.100 -12.075 -9.640 1.00 0.00 H new ATOM 683 N ILE A 43 -6.217 -6.791 -8.481 1.00 0.00 N ATOM 684 CA ILE A 43 -6.509 -5.945 -7.291 1.00 0.00 C ATOM 685 C ILE A 43 -8.007 -5.937 -6.996 1.00 0.00 C ATOM 686 O ILE A 43 -8.778 -5.280 -7.668 1.00 0.00 O ATOM 687 CB ILE A 43 -6.052 -4.511 -7.562 1.00 0.00 C ATOM 688 CG1 ILE A 43 -4.638 -4.530 -8.144 1.00 0.00 C ATOM 689 CG2 ILE A 43 -6.054 -3.725 -6.252 1.00 0.00 C ATOM 690 CD1 ILE A 43 -4.146 -3.098 -8.363 1.00 0.00 C ATOM 0 H ILE A 43 -6.186 -6.297 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.976 -6.356 -6.433 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.730 -4.038 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.964 -5.056 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.631 -5.075 -9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.729 -2.702 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.061 -3.714 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.373 -4.197 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.138 -3.119 -8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.813 -2.586 -9.056 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.136 -2.567 -7.411 1.00 0.00 H new ATOM 702 N ASN A 44 -8.427 -6.646 -5.984 1.00 0.00 N ATOM 703 CA ASN A 44 -9.873 -6.655 -5.639 1.00 0.00 C ATOM 704 C ASN A 44 -10.162 -5.453 -4.740 1.00 0.00 C ATOM 705 O ASN A 44 -11.297 -5.114 -4.476 1.00 0.00 O ATOM 706 CB ASN A 44 -10.203 -7.944 -4.885 1.00 0.00 C ATOM 707 CG ASN A 44 -9.850 -9.151 -5.755 1.00 0.00 C ATOM 708 OD1 ASN A 44 -10.081 -9.142 -6.948 1.00 0.00 O ATOM 709 ND2 ASN A 44 -9.295 -10.196 -5.204 1.00 0.00 N ATOM 0 H ASN A 44 -7.832 -7.217 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.478 -6.601 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.646 -7.982 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.262 -7.966 -4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.055 -11.006 -5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.102 -10.202 -4.203 1.00 0.00 H new ATOM 716 N ARG A 45 -9.127 -4.802 -4.285 1.00 0.00 N ATOM 717 CA ARG A 45 -9.295 -3.607 -3.409 1.00 0.00 C ATOM 718 C ARG A 45 -8.029 -2.750 -3.538 1.00 0.00 C ATOM 719 O ARG A 45 -6.949 -3.188 -3.195 1.00 0.00 O ATOM 720 CB ARG A 45 -9.449 -4.061 -1.938 1.00 0.00 C ATOM 721 CG ARG A 45 -10.926 -4.030 -1.481 1.00 0.00 C ATOM 722 CD ARG A 45 -11.652 -5.339 -1.848 1.00 0.00 C ATOM 723 NE ARG A 45 -12.828 -5.025 -2.705 1.00 0.00 N ATOM 724 CZ ARG A 45 -13.429 -5.978 -3.364 1.00 0.00 C ATOM 725 NH1 ARG A 45 -13.000 -7.206 -3.270 1.00 0.00 N ATOM 726 NH2 ARG A 45 -14.463 -5.702 -4.114 1.00 0.00 N ATOM 0 H ARG A 45 -8.158 -5.051 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.179 -3.041 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.055 -5.071 -1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.855 -3.413 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.972 -3.876 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.435 -3.186 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.973 -6.010 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.974 -5.856 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.164 -4.065 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.195 -7.421 -2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.469 -7.951 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.800 -4.742 -4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.933 -6.447 -4.629 1.00 0.00 H new ATOM 740 N LEU A 46 -8.130 -1.540 -4.022 1.00 0.00 N ATOM 741 CA LEU A 46 -6.890 -0.711 -4.140 1.00 0.00 C ATOM 742 C LEU A 46 -6.427 -0.306 -2.737 1.00 0.00 C ATOM 743 O LEU A 46 -7.236 0.099 -1.926 1.00 0.00 O ATOM 744 CB LEU A 46 -7.146 0.595 -4.908 1.00 0.00 C ATOM 745 CG LEU A 46 -8.099 0.394 -6.089 1.00 0.00 C ATOM 746 CD1 LEU A 46 -8.747 1.735 -6.404 1.00 0.00 C ATOM 747 CD2 LEU A 46 -7.336 -0.090 -7.333 1.00 0.00 C ATOM 0 H LEU A 46 -8.994 -1.096 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.149 -1.310 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.564 1.338 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.198 0.992 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.845 -0.356 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.432 1.620 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.298 2.087 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.975 2.460 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.035 -0.226 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.586 0.650 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.846 -1.038 -7.113 1.00 0.00 H new ATOM 759 N PRO A 47 -5.149 -0.345 -2.448 1.00 0.00 N ATOM 760 CA PRO A 47 -4.665 0.107 -1.122 1.00 0.00 C ATOM 761 C PRO A 47 -5.194 1.515 -0.841 1.00 0.00 C ATOM 762 O PRO A 47 -5.150 2.376 -1.698 1.00 0.00 O ATOM 763 CB PRO A 47 -3.137 0.118 -1.255 1.00 0.00 C ATOM 764 CG PRO A 47 -2.817 -0.775 -2.410 1.00 0.00 C ATOM 765 CD PRO A 47 -4.053 -0.815 -3.312 1.00 0.00 C ATOM 0 HA PRO A 47 -4.997 -0.532 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.768 1.129 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.663 -0.241 -0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.953 -0.399 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.563 -1.776 -2.062 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.930 -0.172 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.243 -1.822 -3.683 1.00 0.00 H new ATOM 773 N ILE A 48 -5.707 1.761 0.330 1.00 0.00 N ATOM 774 CA ILE A 48 -6.251 3.120 0.633 1.00 0.00 C ATOM 775 C ILE A 48 -5.288 3.869 1.543 1.00 0.00 C ATOM 776 O ILE A 48 -4.589 3.289 2.347 1.00 0.00 O ATOM 777 CB ILE A 48 -7.626 2.982 1.309 1.00 0.00 C ATOM 778 CG1 ILE A 48 -8.594 2.337 0.303 1.00 0.00 C ATOM 779 CG2 ILE A 48 -8.160 4.359 1.747 1.00 0.00 C ATOM 780 CD1 ILE A 48 -10.045 2.586 0.724 1.00 0.00 C ATOM 0 H ILE A 48 -5.775 1.085 1.091 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.365 3.683 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.535 2.361 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.422 2.748 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.405 1.265 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.133 4.237 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.464 4.811 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.261 5.005 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.718 2.123 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.217 2.153 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.234 3.659 0.761 1.00 0.00 H new ATOM 792 N MET A 49 -5.255 5.164 1.416 1.00 0.00 N ATOM 793 CA MET A 49 -4.354 5.981 2.266 1.00 0.00 C ATOM 794 C MET A 49 -5.068 7.279 2.642 1.00 0.00 C ATOM 795 O MET A 49 -5.479 8.043 1.793 1.00 0.00 O ATOM 796 CB MET A 49 -3.073 6.296 1.491 1.00 0.00 C ATOM 797 CG MET A 49 -2.038 5.194 1.731 1.00 0.00 C ATOM 798 SD MET A 49 -0.441 5.710 1.051 1.00 0.00 S ATOM 799 CE MET A 49 0.553 4.370 1.751 1.00 0.00 C ATOM 0 H MET A 49 -5.820 5.695 0.753 1.00 0.00 H new ATOM 0 HA MET A 49 -4.096 5.432 3.172 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.292 6.377 0.426 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.673 7.259 1.808 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.944 4.995 2.798 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.363 4.266 1.261 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.568 4.725 1.930 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.112 4.043 2.693 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.579 3.533 1.053 1.00 0.00 H new ATOM 809 N ALA A 50 -5.236 7.516 3.914 1.00 0.00 N ATOM 810 CA ALA A 50 -5.947 8.749 4.352 1.00 0.00 C ATOM 811 C ALA A 50 -7.386 8.683 3.846 1.00 0.00 C ATOM 812 O ALA A 50 -7.940 9.653 3.372 1.00 0.00 O ATOM 813 CB ALA A 50 -5.257 9.983 3.774 1.00 0.00 C ATOM 0 H ALA A 50 -4.912 6.910 4.668 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.933 8.818 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.784 10.880 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.225 10.021 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.269 9.930 2.685 1.00 0.00 H new ATOM 819 N LYS A 51 -7.980 7.527 3.946 1.00 0.00 N ATOM 820 CA LYS A 51 -9.387 7.337 3.482 1.00 0.00 C ATOM 821 C LYS A 51 -9.479 7.640 1.988 1.00 0.00 C ATOM 822 O LYS A 51 -10.516 8.025 1.484 1.00 0.00 O ATOM 823 CB LYS A 51 -10.311 8.280 4.249 1.00 0.00 C ATOM 824 CG LYS A 51 -10.143 8.044 5.747 1.00 0.00 C ATOM 825 CD LYS A 51 -11.099 8.960 6.504 1.00 0.00 C ATOM 826 CE LYS A 51 -10.842 8.840 8.008 1.00 0.00 C ATOM 827 NZ LYS A 51 -12.078 9.210 8.755 1.00 0.00 N ATOM 0 H LYS A 51 -7.545 6.691 4.336 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.689 6.306 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.077 9.316 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.347 8.110 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.349 7.002 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.114 8.243 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.961 9.992 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.131 8.691 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.545 7.821 8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.019 9.492 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.903 9.128 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.342 10.189 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.852 8.570 8.484 1.00 0.00 H new ATOM 841 N SER A 52 -8.404 7.465 1.275 1.00 0.00 N ATOM 842 CA SER A 52 -8.422 7.735 -0.193 1.00 0.00 C ATOM 843 C SER A 52 -7.667 6.621 -0.925 1.00 0.00 C ATOM 844 O SER A 52 -6.805 5.973 -0.366 1.00 0.00 O ATOM 845 CB SER A 52 -7.747 9.077 -0.469 1.00 0.00 C ATOM 846 OG SER A 52 -6.359 8.974 -0.176 1.00 0.00 O ATOM 0 H SER A 52 -7.509 7.145 1.645 1.00 0.00 H new ATOM 0 HA SER A 52 -9.453 7.767 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.890 9.362 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.202 9.858 0.140 1.00 0.00 H new ATOM 0 HG SER A 52 -6.241 8.627 0.733 1.00 0.00 H new ATOM 852 N VAL A 53 -7.984 6.391 -2.172 1.00 0.00 N ATOM 853 CA VAL A 53 -7.280 5.317 -2.929 1.00 0.00 C ATOM 854 C VAL A 53 -5.831 5.729 -3.179 1.00 0.00 C ATOM 855 O VAL A 53 -5.525 6.894 -3.345 1.00 0.00 O ATOM 856 CB VAL A 53 -7.986 5.072 -4.268 1.00 0.00 C ATOM 857 CG1 VAL A 53 -9.464 4.766 -4.020 1.00 0.00 C ATOM 858 CG2 VAL A 53 -7.867 6.316 -5.152 1.00 0.00 C ATOM 0 H VAL A 53 -8.697 6.898 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.298 4.398 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.517 4.226 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.964 4.592 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.552 3.876 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.931 5.611 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.370 6.137 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.331 7.165 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.815 6.534 -5.334 1.00 0.00 H new ATOM 868 N LEU A 54 -4.935 4.782 -3.205 1.00 0.00 N ATOM 869 CA LEU A 54 -3.504 5.117 -3.442 1.00 0.00 C ATOM 870 C LEU A 54 -3.245 5.220 -4.946 1.00 0.00 C ATOM 871 O LEU A 54 -3.573 4.333 -5.709 1.00 0.00 O ATOM 872 CB LEU A 54 -2.623 4.019 -2.842 1.00 0.00 C ATOM 873 CG LEU A 54 -1.148 4.383 -3.028 1.00 0.00 C ATOM 874 CD1 LEU A 54 -0.833 5.664 -2.250 1.00 0.00 C ATOM 875 CD2 LEU A 54 -0.278 3.238 -2.500 1.00 0.00 C ATOM 0 H LEU A 54 -5.132 3.790 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.268 6.071 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.847 3.898 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.836 3.065 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.942 4.545 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.218 5.922 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.456 6.478 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.036 5.506 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.774 3.491 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.486 3.081 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.503 2.326 -3.053 1.00 0.00 H new ATOM 887 N ASP A 55 -2.665 6.305 -5.376 1.00 0.00 N ATOM 888 CA ASP A 55 -2.388 6.488 -6.830 1.00 0.00 C ATOM 889 C ASP A 55 -1.345 5.460 -7.288 1.00 0.00 C ATOM 890 O ASP A 55 -0.157 5.705 -7.222 1.00 0.00 O ATOM 891 CB ASP A 55 -1.836 7.896 -7.052 1.00 0.00 C ATOM 892 CG ASP A 55 -2.793 8.921 -6.441 1.00 0.00 C ATOM 893 OD1 ASP A 55 -3.729 8.506 -5.778 1.00 0.00 O ATOM 894 OD2 ASP A 55 -2.575 10.103 -6.648 1.00 0.00 O ATOM 0 H ASP A 55 -2.369 7.078 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.306 6.350 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.850 7.987 -6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.714 8.087 -8.118 1.00 0.00 H new ATOM 899 N LEU A 56 -1.771 4.305 -7.733 1.00 0.00 N ATOM 900 CA LEU A 56 -0.790 3.274 -8.166 1.00 0.00 C ATOM 901 C LEU A 56 0.128 3.858 -9.233 1.00 0.00 C ATOM 902 O LEU A 56 1.239 3.406 -9.425 1.00 0.00 O ATOM 903 CB LEU A 56 -1.547 2.075 -8.736 1.00 0.00 C ATOM 904 CG LEU A 56 -2.593 1.620 -7.719 1.00 0.00 C ATOM 905 CD1 LEU A 56 -3.368 0.425 -8.272 1.00 0.00 C ATOM 906 CD2 LEU A 56 -1.896 1.215 -6.418 1.00 0.00 C ATOM 0 H LEU A 56 -2.751 4.036 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.188 2.956 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.028 2.345 -9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.855 1.262 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.285 2.439 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.112 0.105 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.867 0.712 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.678 -0.395 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.641 0.890 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.202 0.398 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.348 2.068 -6.018 1.00 0.00 H new ATOM 918 N TYR A 57 -0.329 4.849 -9.942 1.00 0.00 N ATOM 919 CA TYR A 57 0.519 5.441 -11.006 1.00 0.00 C ATOM 920 C TYR A 57 1.610 6.343 -10.422 1.00 0.00 C ATOM 921 O TYR A 57 2.777 6.171 -10.710 1.00 0.00 O ATOM 922 CB TYR A 57 -0.357 6.252 -11.956 1.00 0.00 C ATOM 923 CG TYR A 57 0.514 6.924 -12.987 1.00 0.00 C ATOM 924 CD1 TYR A 57 1.347 6.151 -13.792 1.00 0.00 C ATOM 925 CD2 TYR A 57 0.466 8.308 -13.157 1.00 0.00 C ATOM 926 CE1 TYR A 57 2.138 6.743 -14.767 1.00 0.00 C ATOM 927 CE2 TYR A 57 1.264 8.917 -14.134 1.00 0.00 C ATOM 928 CZ TYR A 57 2.102 8.133 -14.943 1.00 0.00 C ATOM 929 OH TYR A 57 2.886 8.726 -15.911 1.00 0.00 O ATOM 0 H TYR A 57 -1.250 5.273 -9.830 1.00 0.00 H new ATOM 0 HA TYR A 57 1.007 4.627 -11.542 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.082 5.601 -12.445 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.923 6.999 -11.399 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.378 5.080 -13.656 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.184 8.908 -12.537 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.779 6.135 -15.388 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.235 9.989 -14.265 1.00 0.00 H new ATOM 0 HH TYR A 57 2.741 9.695 -15.901 1.00 0.00 H new ATOM 939 N GLU A 58 1.255 7.313 -9.625 1.00 0.00 N ATOM 940 CA GLU A 58 2.301 8.213 -9.067 1.00 0.00 C ATOM 941 C GLU A 58 3.280 7.403 -8.220 1.00 0.00 C ATOM 942 O GLU A 58 4.468 7.635 -8.247 1.00 0.00 O ATOM 943 CB GLU A 58 1.654 9.299 -8.208 1.00 0.00 C ATOM 944 CG GLU A 58 0.790 10.198 -9.094 1.00 0.00 C ATOM 945 CD GLU A 58 0.210 11.338 -8.255 1.00 0.00 C ATOM 946 OE1 GLU A 58 0.345 11.284 -7.044 1.00 0.00 O ATOM 947 OE2 GLU A 58 -0.361 12.244 -8.840 1.00 0.00 O ATOM 0 H GLU A 58 0.298 7.519 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 58 2.839 8.684 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.044 8.845 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.422 9.890 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.387 10.602 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.015 9.617 -9.544 1.00 0.00 H new ATOM 954 N LEU A 59 2.803 6.430 -7.497 1.00 0.00 N ATOM 955 CA LEU A 59 3.739 5.605 -6.687 1.00 0.00 C ATOM 956 C LEU A 59 4.755 4.973 -7.628 1.00 0.00 C ATOM 957 O LEU A 59 5.942 4.969 -7.377 1.00 0.00 O ATOM 958 CB LEU A 59 2.957 4.507 -5.960 1.00 0.00 C ATOM 959 CG LEU A 59 3.930 3.589 -5.217 1.00 0.00 C ATOM 960 CD1 LEU A 59 4.750 4.409 -4.221 1.00 0.00 C ATOM 961 CD2 LEU A 59 3.138 2.518 -4.463 1.00 0.00 C ATOM 0 H LEU A 59 1.818 6.172 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 59 4.246 6.225 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.253 4.953 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.371 3.930 -6.675 1.00 0.00 H new ATOM 0 HG LEU A 59 4.601 3.114 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.442 3.753 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.312 5.175 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.081 4.884 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.828 1.862 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.469 2.996 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.552 1.932 -5.172 1.00 0.00 H new ATOM 973 N TYR A 60 4.287 4.454 -8.721 1.00 0.00 N ATOM 974 CA TYR A 60 5.198 3.823 -9.709 1.00 0.00 C ATOM 975 C TYR A 60 6.267 4.833 -10.152 1.00 0.00 C ATOM 976 O TYR A 60 7.438 4.674 -9.872 1.00 0.00 O ATOM 977 CB TYR A 60 4.347 3.408 -10.911 1.00 0.00 C ATOM 978 CG TYR A 60 5.146 2.545 -11.846 1.00 0.00 C ATOM 979 CD1 TYR A 60 5.417 1.221 -11.501 1.00 0.00 C ATOM 980 CD2 TYR A 60 5.598 3.061 -13.064 1.00 0.00 C ATOM 981 CE1 TYR A 60 6.143 0.408 -12.373 1.00 0.00 C ATOM 982 CE2 TYR A 60 6.328 2.250 -13.938 1.00 0.00 C ATOM 983 CZ TYR A 60 6.601 0.922 -13.593 1.00 0.00 C ATOM 984 OH TYR A 60 7.319 0.119 -14.454 1.00 0.00 O ATOM 0 H TYR A 60 3.300 4.439 -8.977 1.00 0.00 H new ATOM 0 HA TYR A 60 5.702 2.960 -9.274 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.465 2.866 -10.570 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.993 4.294 -11.437 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.065 0.825 -10.560 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.383 4.086 -13.330 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.352 -0.618 -12.107 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.681 2.648 -14.878 1.00 0.00 H new ATOM 0 HH TYR A 60 7.559 0.630 -15.255 1.00 0.00 H new ATOM 994 N ASN A 61 5.871 5.853 -10.863 1.00 0.00 N ATOM 995 CA ASN A 61 6.859 6.857 -11.363 1.00 0.00 C ATOM 996 C ASN A 61 7.887 7.214 -10.286 1.00 0.00 C ATOM 997 O ASN A 61 9.058 7.358 -10.574 1.00 0.00 O ATOM 998 CB ASN A 61 6.128 8.129 -11.794 1.00 0.00 C ATOM 999 CG ASN A 61 5.304 7.849 -13.051 1.00 0.00 C ATOM 1000 OD1 ASN A 61 5.428 6.801 -13.653 1.00 0.00 O ATOM 1001 ND2 ASN A 61 4.469 8.754 -13.481 1.00 0.00 N ATOM 0 H ASN A 61 4.902 6.037 -11.121 1.00 0.00 H new ATOM 0 HA ASN A 61 7.383 6.416 -12.211 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.478 8.476 -10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.847 8.925 -11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.920 8.582 -14.323 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.365 9.634 -12.975 1.00 0.00 H new ATOM 1008 N LEU A 62 7.486 7.351 -9.053 1.00 0.00 N ATOM 1009 CA LEU A 62 8.503 7.687 -8.016 1.00 0.00 C ATOM 1010 C LEU A 62 9.371 6.450 -7.802 1.00 0.00 C ATOM 1011 O LEU A 62 10.580 6.531 -7.735 1.00 0.00 O ATOM 1012 CB LEU A 62 7.839 8.123 -6.694 1.00 0.00 C ATOM 1013 CG LEU A 62 6.890 9.325 -6.912 1.00 0.00 C ATOM 1014 CD1 LEU A 62 6.737 10.125 -5.616 1.00 0.00 C ATOM 1015 CD2 LEU A 62 7.417 10.260 -8.007 1.00 0.00 C ATOM 0 H LEU A 62 6.526 7.249 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 62 9.110 8.527 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.280 7.288 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.608 8.391 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 62 5.924 8.925 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.066 10.967 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.323 9.483 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.712 10.495 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.728 11.094 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.397 10.640 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.501 9.711 -8.945 1.00 0.00 H new ATOM 1027 N VAL A 63 8.764 5.302 -7.707 1.00 0.00 N ATOM 1028 CA VAL A 63 9.563 4.062 -7.510 1.00 0.00 C ATOM 1029 C VAL A 63 10.546 3.884 -8.677 1.00 0.00 C ATOM 1030 O VAL A 63 11.708 3.596 -8.470 1.00 0.00 O ATOM 1031 CB VAL A 63 8.615 2.849 -7.422 1.00 0.00 C ATOM 1032 CG1 VAL A 63 9.410 1.549 -7.546 1.00 0.00 C ATOM 1033 CG2 VAL A 63 7.886 2.854 -6.063 1.00 0.00 C ATOM 0 H VAL A 63 7.754 5.168 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 63 10.131 4.139 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 63 7.891 2.915 -8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.730 0.699 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.927 1.529 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.140 1.491 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.217 1.995 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.618 2.799 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.307 3.772 -5.964 1.00 0.00 H new ATOM 1043 N ILE A 64 10.106 4.050 -9.898 1.00 0.00 N ATOM 1044 CA ILE A 64 11.054 3.880 -11.041 1.00 0.00 C ATOM 1045 C ILE A 64 12.072 5.016 -10.996 1.00 0.00 C ATOM 1046 O ILE A 64 13.226 4.855 -11.341 1.00 0.00 O ATOM 1047 CB ILE A 64 10.309 3.944 -12.377 1.00 0.00 C ATOM 1048 CG1 ILE A 64 9.025 3.126 -12.303 1.00 0.00 C ATOM 1049 CG2 ILE A 64 11.199 3.345 -13.471 1.00 0.00 C ATOM 1050 CD1 ILE A 64 9.334 1.763 -11.701 1.00 0.00 C ATOM 0 H ILE A 64 9.148 4.292 -10.151 1.00 0.00 H new ATOM 0 HA ILE A 64 11.543 2.910 -10.956 1.00 0.00 H new ATOM 0 HB ILE A 64 10.068 4.983 -12.599 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.283 3.645 -11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.597 3.009 -13.298 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.677 3.386 -14.427 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.126 3.915 -13.539 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.428 2.308 -13.226 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.419 1.174 -11.646 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.062 1.246 -12.326 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.743 1.892 -10.699 1.00 0.00 H new ATOM 1062 N ALA A 65 11.628 6.174 -10.602 1.00 0.00 N ATOM 1063 CA ALA A 65 12.540 7.347 -10.564 1.00 0.00 C ATOM 1064 C ALA A 65 13.788 7.013 -9.743 1.00 0.00 C ATOM 1065 O ALA A 65 14.837 7.588 -9.954 1.00 0.00 O ATOM 1066 CB ALA A 65 11.816 8.544 -9.940 1.00 0.00 C ATOM 0 H ALA A 65 10.670 6.359 -10.304 1.00 0.00 H new ATOM 0 HA ALA A 65 12.840 7.597 -11.581 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.488 9.402 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.937 8.789 -10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.507 8.294 -8.925 1.00 0.00 H new ATOM 1072 N ARG A 66 13.709 6.091 -8.818 1.00 0.00 N ATOM 1073 CA ARG A 66 14.921 5.748 -8.018 1.00 0.00 C ATOM 1074 C ARG A 66 15.669 4.602 -8.707 1.00 0.00 C ATOM 1075 O ARG A 66 16.738 4.201 -8.293 1.00 0.00 O ATOM 1076 CB ARG A 66 14.498 5.321 -6.608 1.00 0.00 C ATOM 1077 CG ARG A 66 14.134 6.556 -5.771 1.00 0.00 C ATOM 1078 CD ARG A 66 12.745 7.064 -6.148 1.00 0.00 C ATOM 1079 NE ARG A 66 12.399 8.223 -5.285 1.00 0.00 N ATOM 1080 CZ ARG A 66 11.430 9.023 -5.633 1.00 0.00 C ATOM 1081 NH1 ARG A 66 10.776 8.809 -6.739 1.00 0.00 N ATOM 1082 NH2 ARG A 66 11.120 10.036 -4.876 1.00 0.00 N ATOM 0 H ARG A 66 12.866 5.566 -8.584 1.00 0.00 H new ATOM 0 HA ARG A 66 15.575 6.617 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.644 4.646 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.308 4.772 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.161 6.305 -4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.872 7.342 -5.932 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.724 7.358 -7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.008 6.270 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 66 12.918 8.392 -4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.022 8.016 -7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.018 9.434 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.635 10.203 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.362 10.662 -5.147 1.00 0.00 H new ATOM 1096 N GLY A 67 15.123 4.104 -9.781 1.00 0.00 N ATOM 1097 CA GLY A 67 15.806 3.015 -10.539 1.00 0.00 C ATOM 1098 C GLY A 67 15.491 1.625 -9.969 1.00 0.00 C ATOM 1099 O GLY A 67 16.211 0.681 -10.227 1.00 0.00 O ATOM 0 H GLY A 67 14.229 4.405 -10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.500 3.055 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.883 3.179 -10.516 1.00 0.00 H new ATOM 1103 N GLY A 68 14.424 1.464 -9.226 1.00 0.00 N ATOM 1104 CA GLY A 68 14.099 0.100 -8.694 1.00 0.00 C ATOM 1105 C GLY A 68 13.658 0.162 -7.228 1.00 0.00 C ATOM 1106 O GLY A 68 14.276 0.802 -6.402 1.00 0.00 O ATOM 0 H GLY A 68 13.772 2.204 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.307 -0.347 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.972 -0.546 -8.786 1.00 0.00 H new ATOM 1110 N LEU A 69 12.576 -0.504 -6.912 1.00 0.00 N ATOM 1111 CA LEU A 69 12.048 -0.507 -5.516 1.00 0.00 C ATOM 1112 C LEU A 69 13.167 -0.842 -4.516 1.00 0.00 C ATOM 1113 O LEU A 69 13.216 -0.299 -3.429 1.00 0.00 O ATOM 1114 CB LEU A 69 10.961 -1.586 -5.421 1.00 0.00 C ATOM 1115 CG LEU A 69 10.093 -1.367 -4.169 1.00 0.00 C ATOM 1116 CD1 LEU A 69 9.030 -0.275 -4.426 1.00 0.00 C ATOM 1117 CD2 LEU A 69 9.399 -2.687 -3.803 1.00 0.00 C ATOM 0 H LEU A 69 12.029 -1.054 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 69 11.648 0.478 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.336 -1.560 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.422 -2.573 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 69 10.731 -1.040 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.427 -0.136 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.525 0.662 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.387 -0.580 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.782 -2.540 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.771 -3.010 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.151 -3.449 -3.599 1.00 0.00 H new ATOM 1129 N VAL A 70 14.051 -1.745 -4.857 1.00 0.00 N ATOM 1130 CA VAL A 70 15.139 -2.120 -3.900 1.00 0.00 C ATOM 1131 C VAL A 70 15.987 -0.897 -3.533 1.00 0.00 C ATOM 1132 O VAL A 70 16.338 -0.702 -2.385 1.00 0.00 O ATOM 1133 CB VAL A 70 16.038 -3.199 -4.523 1.00 0.00 C ATOM 1134 CG1 VAL A 70 17.259 -3.419 -3.617 1.00 0.00 C ATOM 1135 CG2 VAL A 70 15.253 -4.519 -4.673 1.00 0.00 C ATOM 0 H VAL A 70 14.068 -2.237 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 70 14.676 -2.510 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 70 16.367 -2.873 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.902 -4.184 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 70 17.816 -2.487 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.927 -3.743 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.898 -5.278 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.916 -4.856 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.389 -4.357 -5.317 1.00 0.00 H new ATOM 1145 N ASP A 71 16.327 -0.072 -4.484 1.00 0.00 N ATOM 1146 CA ASP A 71 17.157 1.127 -4.160 1.00 0.00 C ATOM 1147 C ASP A 71 16.450 1.953 -3.083 1.00 0.00 C ATOM 1148 O ASP A 71 17.068 2.487 -2.183 1.00 0.00 O ATOM 1149 CB ASP A 71 17.341 1.977 -5.419 1.00 0.00 C ATOM 1150 CG ASP A 71 18.208 1.219 -6.426 1.00 0.00 C ATOM 1151 OD1 ASP A 71 18.802 0.227 -6.039 1.00 0.00 O ATOM 1152 OD2 ASP A 71 18.263 1.643 -7.569 1.00 0.00 O ATOM 0 H ASP A 71 16.069 -0.173 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 71 18.133 0.809 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.371 2.208 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.809 2.928 -5.163 1.00 0.00 H new ATOM 1157 N VAL A 72 15.156 2.056 -3.173 1.00 0.00 N ATOM 1158 CA VAL A 72 14.377 2.836 -2.168 1.00 0.00 C ATOM 1159 C VAL A 72 14.519 2.192 -0.793 1.00 0.00 C ATOM 1160 O VAL A 72 14.704 2.871 0.191 1.00 0.00 O ATOM 1161 CB VAL A 72 12.906 2.845 -2.606 1.00 0.00 C ATOM 1162 CG1 VAL A 72 12.056 3.683 -1.648 1.00 0.00 C ATOM 1163 CG2 VAL A 72 12.801 3.421 -4.025 1.00 0.00 C ATOM 0 H VAL A 72 14.595 1.628 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 72 14.750 3.858 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 72 12.532 1.821 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.018 3.674 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.120 3.264 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.424 4.709 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.757 3.428 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 72 13.190 4.439 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.382 2.805 -4.712 1.00 0.00 H new ATOM 1173 N ILE A 73 14.431 0.901 -0.703 1.00 0.00 N ATOM 1174 CA ILE A 73 14.561 0.252 0.630 1.00 0.00 C ATOM 1175 C ILE A 73 15.980 0.443 1.178 1.00 0.00 C ATOM 1176 O ILE A 73 16.172 0.964 2.258 1.00 0.00 O ATOM 1177 CB ILE A 73 14.257 -1.241 0.498 1.00 0.00 C ATOM 1178 CG1 ILE A 73 12.823 -1.414 -0.002 1.00 0.00 C ATOM 1179 CG2 ILE A 73 14.412 -1.920 1.861 1.00 0.00 C ATOM 1180 CD1 ILE A 73 12.539 -2.894 -0.259 1.00 0.00 C ATOM 0 H ILE A 73 14.276 0.267 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 73 13.854 0.712 1.321 1.00 0.00 H new ATOM 0 HB ILE A 73 14.951 -1.697 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.122 -1.022 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.676 -0.842 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 73 14.195 -2.984 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 73 15.433 -1.789 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 73 13.718 -1.471 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 73 11.516 -3.012 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.231 -3.272 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.668 -3.455 0.666 1.00 0.00 H new ATOM 1192 N ASN A 74 16.972 0.012 0.448 1.00 0.00 N ATOM 1193 CA ASN A 74 18.372 0.148 0.925 1.00 0.00 C ATOM 1194 C ASN A 74 18.692 1.611 1.215 1.00 0.00 C ATOM 1195 O ASN A 74 19.321 1.934 2.204 1.00 0.00 O ATOM 1196 CB ASN A 74 19.326 -0.361 -0.160 1.00 0.00 C ATOM 1197 CG ASN A 74 18.907 -1.766 -0.603 1.00 0.00 C ATOM 1198 OD1 ASN A 74 18.894 -2.063 -1.781 1.00 0.00 O ATOM 1199 ND2 ASN A 74 18.563 -2.649 0.294 1.00 0.00 N ATOM 0 H ASN A 74 16.869 -0.431 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 74 18.492 -0.435 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 74 19.316 0.317 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 74 20.347 -0.379 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 74 18.284 -3.587 0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 74 18.573 -2.402 1.283 1.00 0.00 H new ATOM 1206 N LYS A 75 18.276 2.502 0.357 1.00 0.00 N ATOM 1207 CA LYS A 75 18.572 3.940 0.583 1.00 0.00 C ATOM 1208 C LYS A 75 17.416 4.639 1.303 1.00 0.00 C ATOM 1209 O LYS A 75 17.511 5.794 1.665 1.00 0.00 O ATOM 1210 CB LYS A 75 18.818 4.599 -0.765 1.00 0.00 C ATOM 1211 CG LYS A 75 20.004 3.904 -1.446 1.00 0.00 C ATOM 1212 CD LYS A 75 19.847 3.979 -2.963 1.00 0.00 C ATOM 1213 CE LYS A 75 20.074 5.416 -3.426 1.00 0.00 C ATOM 1214 NZ LYS A 75 19.515 5.593 -4.796 1.00 0.00 N ATOM 0 H LYS A 75 17.745 2.294 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 75 19.455 4.027 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.928 4.525 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.027 5.661 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.938 4.379 -1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.058 2.863 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.561 3.312 -3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.851 3.645 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.597 6.111 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.140 5.645 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 19.326 6.601 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 20.199 5.246 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 18.629 5.056 -4.881 1.00 0.00 H new ATOM 1228 N LYS A 76 16.315 3.961 1.481 1.00 0.00 N ATOM 1229 CA LYS A 76 15.134 4.590 2.147 1.00 0.00 C ATOM 1230 C LYS A 76 14.680 5.826 1.378 1.00 0.00 C ATOM 1231 O LYS A 76 14.614 6.908 1.926 1.00 0.00 O ATOM 1232 CB LYS A 76 15.447 5.017 3.583 1.00 0.00 C ATOM 1233 CG LYS A 76 15.434 3.817 4.525 1.00 0.00 C ATOM 1234 CD LYS A 76 15.310 4.345 5.953 1.00 0.00 C ATOM 1235 CE LYS A 76 15.402 3.190 6.949 1.00 0.00 C ATOM 1236 NZ LYS A 76 14.841 1.953 6.336 1.00 0.00 N ATOM 0 H LYS A 76 16.180 2.992 1.192 1.00 0.00 H new ATOM 0 HA LYS A 76 14.348 3.835 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.423 5.501 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.715 5.753 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.601 3.155 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.347 3.233 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.100 5.070 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.361 4.866 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.441 3.026 7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.855 3.437 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.732 1.222 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.913 2.164 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.486 1.609 5.596 1.00 0.00 H new ATOM 1250 N LEU A 77 14.339 5.690 0.131 1.00 0.00 N ATOM 1251 CA LEU A 77 13.868 6.883 -0.620 1.00 0.00 C ATOM 1252 C LEU A 77 12.344 6.963 -0.499 1.00 0.00 C ATOM 1253 O LEU A 77 11.692 7.708 -1.205 1.00 0.00 O ATOM 1254 CB LEU A 77 14.307 6.787 -2.086 1.00 0.00 C ATOM 1255 CG LEU A 77 15.846 6.794 -2.146 1.00 0.00 C ATOM 1256 CD1 LEU A 77 16.351 6.086 -3.413 1.00 0.00 C ATOM 1257 CD2 LEU A 77 16.347 8.246 -2.153 1.00 0.00 C ATOM 0 H LEU A 77 14.365 4.817 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 77 14.306 7.791 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.916 5.875 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.903 7.624 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 77 16.227 6.264 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.441 6.105 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.006 5.052 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.965 6.598 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.436 8.255 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.946 8.765 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.015 8.750 -1.245 1.00 0.00 H new ATOM 1269 N TRP A 78 11.771 6.209 0.414 1.00 0.00 N ATOM 1270 CA TRP A 78 10.293 6.262 0.601 1.00 0.00 C ATOM 1271 C TRP A 78 9.910 7.653 1.082 1.00 0.00 C ATOM 1272 O TRP A 78 8.905 8.196 0.677 1.00 0.00 O ATOM 1273 CB TRP A 78 9.835 5.241 1.649 1.00 0.00 C ATOM 1274 CG TRP A 78 10.245 3.874 1.226 1.00 0.00 C ATOM 1275 CD1 TRP A 78 11.357 3.242 1.649 1.00 0.00 C ATOM 1276 CD2 TRP A 78 9.572 2.959 0.315 1.00 0.00 C ATOM 1277 NE1 TRP A 78 11.420 1.997 1.056 1.00 0.00 N ATOM 1278 CE2 TRP A 78 10.342 1.775 0.224 1.00 0.00 C ATOM 1279 CE3 TRP A 78 8.384 3.037 -0.438 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 9.951 0.711 -0.579 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 7.993 1.960 -1.249 1.00 0.00 C ATOM 1282 CH2 TRP A 78 8.776 0.803 -1.317 1.00 0.00 C ATOM 0 H TRP A 78 12.265 5.565 1.032 1.00 0.00 H new ATOM 0 HA TRP A 78 9.813 6.030 -0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.272 5.479 2.619 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.752 5.287 1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 78 12.082 3.645 2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 78 12.171 1.324 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 78 7.773 3.927 -0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.556 -0.182 -0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 7.081 2.025 -1.824 1.00 0.00 H new ATOM 0 HH2 TRP A 78 8.467 -0.021 -1.944 1.00 0.00 H new ATOM 1293 N GLN A 79 10.697 8.258 1.938 1.00 0.00 N ATOM 1294 CA GLN A 79 10.328 9.617 2.408 1.00 0.00 C ATOM 1295 C GLN A 79 10.020 10.479 1.189 1.00 0.00 C ATOM 1296 O GLN A 79 9.081 11.250 1.182 1.00 0.00 O ATOM 1297 CB GLN A 79 11.495 10.226 3.186 1.00 0.00 C ATOM 1298 CG GLN A 79 11.734 9.418 4.463 1.00 0.00 C ATOM 1299 CD GLN A 79 12.529 8.155 4.125 1.00 0.00 C ATOM 1300 OE1 GLN A 79 13.683 8.232 3.754 1.00 0.00 O ATOM 1301 NE2 GLN A 79 11.956 6.989 4.241 1.00 0.00 N ATOM 0 H GLN A 79 11.561 7.874 2.322 1.00 0.00 H new ATOM 0 HA GLN A 79 9.457 9.565 3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.395 10.228 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.277 11.264 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 79 12.279 10.020 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.782 9.150 4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.987 6.926 4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.477 6.140 4.020 1.00 0.00 H new ATOM 1310 N GLU A 80 10.786 10.341 0.142 1.00 0.00 N ATOM 1311 CA GLU A 80 10.506 11.139 -1.078 1.00 0.00 C ATOM 1312 C GLU A 80 9.194 10.639 -1.689 1.00 0.00 C ATOM 1313 O GLU A 80 8.366 11.414 -2.126 1.00 0.00 O ATOM 1314 CB GLU A 80 11.650 10.971 -2.080 1.00 0.00 C ATOM 1315 CG GLU A 80 12.941 11.530 -1.477 1.00 0.00 C ATOM 1316 CD GLU A 80 14.069 11.433 -2.507 1.00 0.00 C ATOM 1317 OE1 GLU A 80 13.851 10.817 -3.537 1.00 0.00 O ATOM 1318 OE2 GLU A 80 15.130 11.976 -2.247 1.00 0.00 O ATOM 0 H GLU A 80 11.588 9.714 0.081 1.00 0.00 H new ATOM 0 HA GLU A 80 10.420 12.196 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.778 9.918 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.414 11.491 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.796 12.568 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.206 10.973 -0.578 1.00 0.00 H new ATOM 1325 N ILE A 81 8.987 9.345 -1.698 1.00 0.00 N ATOM 1326 CA ILE A 81 7.715 8.798 -2.253 1.00 0.00 C ATOM 1327 C ILE A 81 6.567 9.197 -1.327 1.00 0.00 C ATOM 1328 O ILE A 81 5.571 9.745 -1.749 1.00 0.00 O ATOM 1329 CB ILE A 81 7.795 7.271 -2.331 1.00 0.00 C ATOM 1330 CG1 ILE A 81 9.033 6.880 -3.142 1.00 0.00 C ATOM 1331 CG2 ILE A 81 6.536 6.724 -3.014 1.00 0.00 C ATOM 1332 CD1 ILE A 81 8.909 5.435 -3.627 1.00 0.00 C ATOM 0 H ILE A 81 9.643 8.648 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 81 7.549 9.197 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 81 7.865 6.853 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.145 7.550 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.928 6.991 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.595 5.637 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.656 7.011 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.461 7.134 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.795 5.167 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.819 4.769 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 81 8.024 5.337 -4.256 1.00 0.00 H new ATOM 1344 N ILE A 82 6.707 8.918 -0.061 1.00 0.00 N ATOM 1345 CA ILE A 82 5.635 9.264 0.910 1.00 0.00 C ATOM 1346 C ILE A 82 5.283 10.748 0.770 1.00 0.00 C ATOM 1347 O ILE A 82 4.137 11.106 0.582 1.00 0.00 O ATOM 1348 CB ILE A 82 6.147 8.981 2.328 1.00 0.00 C ATOM 1349 CG1 ILE A 82 6.524 7.500 2.443 1.00 0.00 C ATOM 1350 CG2 ILE A 82 5.052 9.293 3.354 1.00 0.00 C ATOM 1351 CD1 ILE A 82 7.388 7.265 3.692 1.00 0.00 C ATOM 0 H ILE A 82 7.524 8.462 0.344 1.00 0.00 H new ATOM 0 HA ILE A 82 4.744 8.668 0.715 1.00 0.00 H new ATOM 0 HB ILE A 82 7.017 9.608 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.622 6.891 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.068 7.186 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.425 9.089 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.771 10.343 3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.180 8.669 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.648 6.209 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.299 7.859 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.830 7.560 4.581 1.00 0.00 H new ATOM 1363 N LYS A 83 6.257 11.612 0.854 1.00 0.00 N ATOM 1364 CA LYS A 83 5.973 13.069 0.717 1.00 0.00 C ATOM 1365 C LYS A 83 5.637 13.400 -0.742 1.00 0.00 C ATOM 1366 O LYS A 83 4.766 14.200 -1.019 1.00 0.00 O ATOM 1367 CB LYS A 83 7.198 13.876 1.154 1.00 0.00 C ATOM 1368 CG LYS A 83 7.600 13.489 2.583 1.00 0.00 C ATOM 1369 CD LYS A 83 6.497 13.898 3.565 1.00 0.00 C ATOM 1370 CE LYS A 83 7.063 13.916 4.986 1.00 0.00 C ATOM 1371 NZ LYS A 83 7.737 15.222 5.235 1.00 0.00 N ATOM 0 H LYS A 83 7.236 11.373 1.011 1.00 0.00 H new ATOM 0 HA LYS A 83 5.123 13.327 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.028 13.691 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.977 14.942 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.772 12.414 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.537 13.977 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.109 14.883 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.662 13.200 3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.262 13.764 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.771 13.098 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.122 15.235 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.511 15.349 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.049 15.994 5.126 1.00 0.00 H new ATOM 1385 N GLY A 84 6.327 12.801 -1.679 1.00 0.00 N ATOM 1386 CA GLY A 84 6.047 13.097 -3.113 1.00 0.00 C ATOM 1387 C GLY A 84 4.549 12.960 -3.375 1.00 0.00 C ATOM 1388 O GLY A 84 3.984 13.647 -4.203 1.00 0.00 O ATOM 0 H GLY A 84 7.070 12.122 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.380 14.105 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.604 12.412 -3.753 1.00 0.00 H new ATOM 1392 N LEU A 85 3.901 12.081 -2.665 1.00 0.00 N ATOM 1393 CA LEU A 85 2.438 11.896 -2.855 1.00 0.00 C ATOM 1394 C LEU A 85 1.687 12.808 -1.883 1.00 0.00 C ATOM 1395 O LEU A 85 0.481 12.928 -1.932 1.00 0.00 O ATOM 1396 CB LEU A 85 2.089 10.440 -2.571 1.00 0.00 C ATOM 1397 CG LEU A 85 2.908 9.536 -3.497 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.621 8.069 -3.175 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.530 9.821 -4.955 1.00 0.00 C ATOM 0 H LEU A 85 4.325 11.480 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 85 2.154 12.149 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.300 10.200 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.024 10.272 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 85 3.969 9.737 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.206 7.430 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.892 7.864 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.560 7.866 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.113 9.178 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.468 9.623 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.740 10.865 -5.188 1.00 0.00 H new ATOM 1411 N HIS A 86 2.407 13.450 -1.002 1.00 0.00 N ATOM 1412 CA HIS A 86 1.770 14.370 -0.012 1.00 0.00 C ATOM 1413 C HIS A 86 0.882 13.572 0.945 1.00 0.00 C ATOM 1414 O HIS A 86 -0.195 13.998 1.309 1.00 0.00 O ATOM 1415 CB HIS A 86 0.925 15.415 -0.744 1.00 0.00 C ATOM 1416 CG HIS A 86 1.693 15.943 -1.925 1.00 0.00 C ATOM 1417 ND1 HIS A 86 2.687 16.899 -1.791 1.00 0.00 N ATOM 1418 CD2 HIS A 86 1.623 15.659 -3.266 1.00 0.00 C ATOM 1419 CE1 HIS A 86 3.172 17.154 -3.020 1.00 0.00 C ATOM 1420 NE2 HIS A 86 2.557 16.425 -3.956 1.00 0.00 N ATOM 0 H HIS A 86 3.421 13.376 -0.925 1.00 0.00 H new ATOM 0 HA HIS A 86 2.551 14.873 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.014 14.972 -1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.671 16.231 -0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 86 0.946 14.949 -3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.962 17.861 -3.225 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.734 16.429 -4.960 1.00 0.00 H new ATOM 1428 N LEU A 87 1.339 12.429 1.371 1.00 0.00 N ATOM 1429 CA LEU A 87 0.535 11.616 2.325 1.00 0.00 C ATOM 1430 C LEU A 87 0.571 12.276 3.712 1.00 0.00 C ATOM 1431 O LEU A 87 1.555 12.882 4.084 1.00 0.00 O ATOM 1432 CB LEU A 87 1.112 10.203 2.402 1.00 0.00 C ATOM 1433 CG LEU A 87 0.658 9.404 1.176 1.00 0.00 C ATOM 1434 CD1 LEU A 87 1.681 8.312 0.866 1.00 0.00 C ATOM 1435 CD2 LEU A 87 -0.697 8.758 1.458 1.00 0.00 C ATOM 0 H LEU A 87 2.234 12.022 1.100 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.498 11.560 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.201 10.244 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.778 9.711 3.315 1.00 0.00 H new ATOM 0 HG LEU A 87 0.572 10.076 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.355 7.745 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.650 8.768 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.769 7.642 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.018 8.190 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.610 8.089 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.431 9.533 1.677 1.00 0.00 H new ATOM 1447 N PRO A 88 -0.486 12.155 4.480 1.00 0.00 N ATOM 1448 CA PRO A 88 -0.552 12.750 5.849 1.00 0.00 C ATOM 1449 C PRO A 88 0.311 11.984 6.861 1.00 0.00 C ATOM 1450 O PRO A 88 0.392 10.772 6.831 1.00 0.00 O ATOM 1451 CB PRO A 88 -2.032 12.644 6.220 1.00 0.00 C ATOM 1452 CG PRO A 88 -2.553 11.494 5.425 1.00 0.00 C ATOM 1453 CD PRO A 88 -1.731 11.447 4.135 1.00 0.00 C ATOM 0 HA PRO A 88 -0.170 13.771 5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -2.159 12.473 7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.565 13.563 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.455 10.562 5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.613 11.623 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.534 10.421 3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.252 11.935 3.311 1.00 0.00 H new ATOM 1461 N SER A 89 0.957 12.686 7.751 1.00 0.00 N ATOM 1462 CA SER A 89 1.820 12.010 8.765 1.00 0.00 C ATOM 1463 C SER A 89 0.969 11.091 9.648 1.00 0.00 C ATOM 1464 O SER A 89 1.470 10.452 10.553 1.00 0.00 O ATOM 1465 CB SER A 89 2.500 13.066 9.637 1.00 0.00 C ATOM 1466 OG SER A 89 1.537 13.645 10.510 1.00 0.00 O ATOM 0 H SER A 89 0.925 13.703 7.821 1.00 0.00 H new ATOM 0 HA SER A 89 2.575 11.414 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.306 12.613 10.215 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.950 13.836 9.011 1.00 0.00 H new ATOM 0 HG SER A 89 1.970 14.321 11.072 1.00 0.00 H new ATOM 1472 N SER A 90 -0.314 11.041 9.418 1.00 0.00 N ATOM 1473 CA SER A 90 -1.184 10.185 10.277 1.00 0.00 C ATOM 1474 C SER A 90 -0.830 8.709 10.072 1.00 0.00 C ATOM 1475 O SER A 90 -1.062 7.888 10.938 1.00 0.00 O ATOM 1476 CB SER A 90 -2.650 10.412 9.911 1.00 0.00 C ATOM 1477 OG SER A 90 -2.879 9.965 8.581 1.00 0.00 O ATOM 0 H SER A 90 -0.796 11.551 8.678 1.00 0.00 H new ATOM 0 HA SER A 90 -1.024 10.451 11.322 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.297 9.874 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.899 11.470 9.999 1.00 0.00 H new ATOM 0 HG SER A 90 -3.819 10.108 8.345 1.00 0.00 H new ATOM 1483 N ILE A 91 -0.253 8.361 8.954 1.00 0.00 N ATOM 1484 CA ILE A 91 0.128 6.934 8.738 1.00 0.00 C ATOM 1485 C ILE A 91 1.613 6.755 9.059 1.00 0.00 C ATOM 1486 O ILE A 91 2.476 7.160 8.304 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.132 6.540 7.281 1.00 0.00 C ATOM 1488 CG1 ILE A 91 -1.629 6.673 6.980 1.00 0.00 C ATOM 1489 CG2 ILE A 91 0.311 5.091 7.056 1.00 0.00 C ATOM 1490 CD1 ILE A 91 -1.905 6.362 5.503 1.00 0.00 C ATOM 0 H ILE A 91 -0.030 8.995 8.187 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.469 6.297 9.391 1.00 0.00 H new ATOM 0 HB ILE A 91 0.432 7.196 6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.196 5.992 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.966 7.683 7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.126 4.811 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.375 4.998 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.252 4.432 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.972 6.460 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.353 7.061 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.587 5.344 5.280 1.00 0.00 H new ATOM 1502 N THR A 92 1.920 6.146 10.173 1.00 0.00 N ATOM 1503 CA THR A 92 3.350 5.935 10.539 1.00 0.00 C ATOM 1504 C THR A 92 3.916 4.790 9.700 1.00 0.00 C ATOM 1505 O THR A 92 5.103 4.710 9.453 1.00 0.00 O ATOM 1506 CB THR A 92 3.451 5.579 12.024 1.00 0.00 C ATOM 1507 OG1 THR A 92 2.832 4.320 12.250 1.00 0.00 O ATOM 1508 CG2 THR A 92 2.749 6.651 12.859 1.00 0.00 C ATOM 0 H THR A 92 1.242 5.786 10.845 1.00 0.00 H new ATOM 0 HA THR A 92 3.917 6.846 10.348 1.00 0.00 H new ATOM 0 HB THR A 92 4.500 5.527 12.314 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.897 4.089 13.200 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.822 6.395 13.916 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.224 7.616 12.686 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.699 6.707 12.571 1.00 0.00 H new ATOM 1516 N SER A 93 3.067 3.905 9.260 1.00 0.00 N ATOM 1517 CA SER A 93 3.534 2.760 8.431 1.00 0.00 C ATOM 1518 C SER A 93 3.352 3.101 6.952 1.00 0.00 C ATOM 1519 O SER A 93 3.056 2.246 6.141 1.00 0.00 O ATOM 1520 CB SER A 93 2.718 1.514 8.776 1.00 0.00 C ATOM 1521 OG SER A 93 3.125 1.023 10.047 1.00 0.00 O ATOM 0 H SER A 93 2.063 3.926 9.440 1.00 0.00 H new ATOM 0 HA SER A 93 4.588 2.567 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.655 1.754 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.863 0.748 8.014 1.00 0.00 H new ATOM 0 HG SER A 93 2.603 0.225 10.272 1.00 0.00 H new ATOM 1527 N ALA A 94 3.529 4.343 6.592 1.00 0.00 N ATOM 1528 CA ALA A 94 3.367 4.726 5.164 1.00 0.00 C ATOM 1529 C ALA A 94 4.395 3.956 4.337 1.00 0.00 C ATOM 1530 O ALA A 94 4.054 3.135 3.508 1.00 0.00 O ATOM 1531 CB ALA A 94 3.603 6.230 5.007 1.00 0.00 C ATOM 0 H ALA A 94 3.778 5.105 7.223 1.00 0.00 H new ATOM 0 HA ALA A 94 2.359 4.488 4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.484 6.510 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.881 6.777 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.613 6.476 5.336 1.00 0.00 H new ATOM 1537 N ALA A 95 5.656 4.212 4.560 1.00 0.00 N ATOM 1538 CA ALA A 95 6.706 3.489 3.785 1.00 0.00 C ATOM 1539 C ALA A 95 6.404 1.986 3.804 1.00 0.00 C ATOM 1540 O ALA A 95 6.362 1.346 2.771 1.00 0.00 O ATOM 1541 CB ALA A 95 8.075 3.737 4.423 1.00 0.00 C ATOM 0 H ALA A 95 6.004 4.887 5.241 1.00 0.00 H new ATOM 0 HA ALA A 95 6.713 3.851 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.842 3.209 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.291 4.805 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.069 3.374 5.451 1.00 0.00 H new ATOM 1547 N LEU A 96 6.193 1.408 4.960 1.00 0.00 N ATOM 1548 CA LEU A 96 5.896 -0.054 5.006 1.00 0.00 C ATOM 1549 C LEU A 96 4.643 -0.332 4.178 1.00 0.00 C ATOM 1550 O LEU A 96 4.593 -1.276 3.416 1.00 0.00 O ATOM 1551 CB LEU A 96 5.645 -0.486 6.456 1.00 0.00 C ATOM 1552 CG LEU A 96 5.376 -2.002 6.523 1.00 0.00 C ATOM 1553 CD1 LEU A 96 6.685 -2.764 6.721 1.00 0.00 C ATOM 1554 CD2 LEU A 96 4.458 -2.297 7.701 1.00 0.00 C ATOM 0 H LEU A 96 6.213 1.880 5.864 1.00 0.00 H new ATOM 0 HA LEU A 96 6.743 -0.610 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.509 -0.235 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.794 0.060 6.863 1.00 0.00 H new ATOM 0 HG LEU A 96 4.911 -2.318 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.480 -3.834 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.356 -2.558 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.155 -2.445 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.265 -3.369 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.935 -1.970 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.516 -1.764 7.570 1.00 0.00 H new ATOM 1566 N THR A 97 3.636 0.486 4.303 1.00 0.00 N ATOM 1567 CA THR A 97 2.405 0.265 3.503 1.00 0.00 C ATOM 1568 C THR A 97 2.773 0.327 2.026 1.00 0.00 C ATOM 1569 O THR A 97 2.290 -0.439 1.216 1.00 0.00 O ATOM 1570 CB THR A 97 1.390 1.364 3.837 1.00 0.00 C ATOM 1571 OG1 THR A 97 0.979 1.232 5.189 1.00 0.00 O ATOM 1572 CG2 THR A 97 0.180 1.258 2.912 1.00 0.00 C ATOM 0 H THR A 97 3.614 1.295 4.923 1.00 0.00 H new ATOM 0 HA THR A 97 1.967 -0.707 3.731 1.00 0.00 H new ATOM 0 HB THR A 97 1.856 2.339 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.752 1.354 5.779 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.535 2.043 3.157 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.502 1.371 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.292 0.284 3.041 1.00 0.00 H new ATOM 1580 N LEU A 98 3.632 1.241 1.675 1.00 0.00 N ATOM 1581 CA LEU A 98 4.052 1.371 0.263 1.00 0.00 C ATOM 1582 C LEU A 98 4.929 0.180 -0.125 1.00 0.00 C ATOM 1583 O LEU A 98 4.746 -0.422 -1.158 1.00 0.00 O ATOM 1584 CB LEU A 98 4.848 2.668 0.124 1.00 0.00 C ATOM 1585 CG LEU A 98 3.930 3.869 0.382 1.00 0.00 C ATOM 1586 CD1 LEU A 98 4.741 5.017 0.976 1.00 0.00 C ATOM 1587 CD2 LEU A 98 3.322 4.328 -0.939 1.00 0.00 C ATOM 0 H LEU A 98 4.062 1.908 2.316 1.00 0.00 H new ATOM 0 HA LEU A 98 3.181 1.390 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.678 2.674 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.279 2.736 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 98 3.142 3.578 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.086 5.869 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.190 4.697 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.527 5.306 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.668 5.182 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.118 4.617 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.744 3.514 -1.376 1.00 0.00 H new ATOM 1599 N ARG A 99 5.883 -0.168 0.693 1.00 0.00 N ATOM 1600 CA ARG A 99 6.771 -1.318 0.361 1.00 0.00 C ATOM 1601 C ARG A 99 5.986 -2.620 0.364 1.00 0.00 C ATOM 1602 O ARG A 99 6.030 -3.383 -0.577 1.00 0.00 O ATOM 1603 CB ARG A 99 7.883 -1.397 1.408 1.00 0.00 C ATOM 1604 CG ARG A 99 8.877 -2.496 1.032 1.00 0.00 C ATOM 1605 CD ARG A 99 9.890 -2.657 2.166 1.00 0.00 C ATOM 1606 NE ARG A 99 10.550 -1.348 2.433 1.00 0.00 N ATOM 1607 CZ ARG A 99 11.187 -1.155 3.555 1.00 0.00 C ATOM 1608 NH1 ARG A 99 11.229 -2.101 4.452 1.00 0.00 N ATOM 1609 NH2 ARG A 99 11.776 -0.013 3.783 1.00 0.00 N ATOM 0 H ARG A 99 6.087 0.295 1.579 1.00 0.00 H new ATOM 0 HA ARG A 99 7.192 -1.169 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.397 -0.438 1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.456 -1.602 2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.352 -3.436 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.388 -2.241 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.390 -3.015 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.636 -3.405 1.898 1.00 0.00 H new ATOM 0 HE ARG A 99 10.504 -0.603 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.764 -2.992 4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.727 -1.950 5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.738 0.729 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.274 0.138 4.660 1.00 0.00 H new ATOM 1623 N THR A 100 5.277 -2.890 1.411 1.00 0.00 N ATOM 1624 CA THR A 100 4.512 -4.156 1.462 1.00 0.00 C ATOM 1625 C THR A 100 3.580 -4.260 0.253 1.00 0.00 C ATOM 1626 O THR A 100 3.595 -5.235 -0.470 1.00 0.00 O ATOM 1627 CB THR A 100 3.691 -4.182 2.751 1.00 0.00 C ATOM 1628 OG1 THR A 100 4.554 -3.986 3.863 1.00 0.00 O ATOM 1629 CG2 THR A 100 2.976 -5.524 2.891 1.00 0.00 C ATOM 0 H THR A 100 5.192 -2.292 2.233 1.00 0.00 H new ATOM 0 HA THR A 100 5.201 -5.000 1.442 1.00 0.00 H new ATOM 0 HB THR A 100 2.947 -3.386 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.834 -3.048 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.394 -5.532 3.813 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.311 -5.672 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.712 -6.327 2.920 1.00 0.00 H new ATOM 1637 N GLN A 101 2.756 -3.276 0.034 1.00 0.00 N ATOM 1638 CA GLN A 101 1.814 -3.336 -1.117 1.00 0.00 C ATOM 1639 C GLN A 101 2.552 -3.311 -2.469 1.00 0.00 C ATOM 1640 O GLN A 101 2.225 -4.063 -3.364 1.00 0.00 O ATOM 1641 CB GLN A 101 0.838 -2.166 -1.014 1.00 0.00 C ATOM 1642 CG GLN A 101 1.479 -0.898 -1.566 1.00 0.00 C ATOM 1643 CD GLN A 101 0.752 0.328 -1.013 1.00 0.00 C ATOM 1644 OE1 GLN A 101 1.098 1.445 -1.335 1.00 0.00 O ATOM 1645 NE2 GLN A 101 -0.242 0.167 -0.180 1.00 0.00 N ATOM 0 H GLN A 101 2.694 -2.432 0.603 1.00 0.00 H new ATOM 0 HA GLN A 101 1.271 -4.280 -1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -0.073 -2.393 -1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.549 -2.014 0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.533 -0.862 -1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.433 -0.900 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.533 -0.772 0.091 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.727 0.981 0.199 1.00 0.00 H new ATOM 1654 N TYR A 102 3.544 -2.471 -2.646 1.00 0.00 N ATOM 1655 CA TYR A 102 4.245 -2.450 -3.961 1.00 0.00 C ATOM 1656 C TYR A 102 4.752 -3.852 -4.272 1.00 0.00 C ATOM 1657 O TYR A 102 4.666 -4.327 -5.388 1.00 0.00 O ATOM 1658 CB TYR A 102 5.427 -1.480 -3.911 1.00 0.00 C ATOM 1659 CG TYR A 102 5.791 -1.061 -5.311 1.00 0.00 C ATOM 1660 CD1 TYR A 102 6.327 -1.987 -6.212 1.00 0.00 C ATOM 1661 CD2 TYR A 102 5.582 0.262 -5.709 1.00 0.00 C ATOM 1662 CE1 TYR A 102 6.655 -1.588 -7.513 1.00 0.00 C ATOM 1663 CE2 TYR A 102 5.907 0.665 -7.008 1.00 0.00 C ATOM 1664 CZ TYR A 102 6.444 -0.262 -7.912 1.00 0.00 C ATOM 1665 OH TYR A 102 6.766 0.131 -9.194 1.00 0.00 O ATOM 0 H TYR A 102 3.891 -1.812 -1.949 1.00 0.00 H new ATOM 0 HA TYR A 102 3.552 -2.122 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.169 -0.606 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.281 -1.955 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.488 -3.010 -5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.168 0.975 -5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.070 -2.302 -8.209 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.745 1.688 -7.314 1.00 0.00 H new ATOM 0 HH TYR A 102 6.170 0.857 -9.473 1.00 0.00 H new ATOM 1675 N MET A 103 5.281 -4.518 -3.289 1.00 0.00 N ATOM 1676 CA MET A 103 5.799 -5.887 -3.508 1.00 0.00 C ATOM 1677 C MET A 103 4.726 -6.774 -4.155 1.00 0.00 C ATOM 1678 O MET A 103 4.972 -7.471 -5.118 1.00 0.00 O ATOM 1679 CB MET A 103 6.185 -6.468 -2.149 1.00 0.00 C ATOM 1680 CG MET A 103 7.515 -5.881 -1.695 1.00 0.00 C ATOM 1681 SD MET A 103 7.961 -6.574 -0.082 1.00 0.00 S ATOM 1682 CE MET A 103 8.254 -8.272 -0.635 1.00 0.00 C ATOM 0 H MET A 103 5.376 -4.167 -2.336 1.00 0.00 H new ATOM 0 HA MET A 103 6.661 -5.851 -4.175 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.410 -6.246 -1.415 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.260 -7.553 -2.215 1.00 0.00 H new ATOM 0 HG2 MET A 103 8.292 -6.104 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.442 -4.795 -1.629 1.00 0.00 H new ATOM 0 HE1 MET A 103 8.598 -8.874 0.206 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.328 -8.692 -1.027 1.00 0.00 H new ATOM 0 HE3 MET A 103 9.013 -8.274 -1.417 1.00 0.00 H new ATOM 1692 N LYS A 104 3.554 -6.794 -3.596 1.00 0.00 N ATOM 1693 CA LYS A 104 2.478 -7.683 -4.136 1.00 0.00 C ATOM 1694 C LYS A 104 1.908 -7.186 -5.477 1.00 0.00 C ATOM 1695 O LYS A 104 1.779 -7.939 -6.421 1.00 0.00 O ATOM 1696 CB LYS A 104 1.311 -7.740 -3.146 1.00 0.00 C ATOM 1697 CG LYS A 104 1.832 -7.791 -1.710 1.00 0.00 C ATOM 1698 CD LYS A 104 0.647 -7.950 -0.756 1.00 0.00 C ATOM 1699 CE LYS A 104 1.114 -7.738 0.684 1.00 0.00 C ATOM 1700 NZ LYS A 104 1.834 -8.953 1.162 1.00 0.00 N ATOM 0 H LYS A 104 3.287 -6.234 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 104 2.937 -8.660 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.672 -6.867 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.697 -8.618 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.526 -8.623 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.383 -6.880 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.133 -7.230 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.211 -8.943 -0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.770 -6.869 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.259 -7.533 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.151 -8.806 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.195 -9.773 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.659 -9.129 0.554 1.00 0.00 H new ATOM 1714 N TYR A 105 1.465 -5.958 -5.529 1.00 0.00 N ATOM 1715 CA TYR A 105 0.786 -5.453 -6.766 1.00 0.00 C ATOM 1716 C TYR A 105 1.731 -4.909 -7.854 1.00 0.00 C ATOM 1717 O TYR A 105 1.604 -5.268 -9.008 1.00 0.00 O ATOM 1718 CB TYR A 105 -0.182 -4.344 -6.345 1.00 0.00 C ATOM 1719 CG TYR A 105 -0.976 -4.814 -5.150 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -1.987 -5.769 -5.306 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -0.677 -4.314 -3.879 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -2.703 -6.216 -4.189 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -1.386 -4.763 -2.762 1.00 0.00 C ATOM 1724 CZ TYR A 105 -2.402 -5.715 -2.916 1.00 0.00 C ATOM 1725 OH TYR A 105 -3.104 -6.160 -1.815 1.00 0.00 O ATOM 0 H TYR A 105 1.542 -5.280 -4.771 1.00 0.00 H new ATOM 0 HA TYR A 105 0.285 -6.308 -7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.369 -3.437 -6.098 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -0.852 -4.096 -7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.215 -6.161 -6.286 1.00 0.00 H new ATOM 0 HD2 TYR A 105 0.105 -3.578 -3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.488 -6.948 -4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.151 -4.377 -1.781 1.00 0.00 H new ATOM 0 HH TYR A 105 -2.769 -5.712 -1.010 1.00 0.00 H new ATOM 1735 N LEU A 106 2.615 -4.000 -7.540 1.00 0.00 N ATOM 1736 CA LEU A 106 3.471 -3.406 -8.624 1.00 0.00 C ATOM 1737 C LEU A 106 4.831 -4.099 -8.789 1.00 0.00 C ATOM 1738 O LEU A 106 5.630 -3.679 -9.601 1.00 0.00 O ATOM 1739 CB LEU A 106 3.694 -1.923 -8.327 1.00 0.00 C ATOM 1740 CG LEU A 106 2.421 -1.142 -8.663 1.00 0.00 C ATOM 1741 CD1 LEU A 106 1.297 -1.565 -7.716 1.00 0.00 C ATOM 1742 CD2 LEU A 106 2.683 0.359 -8.504 1.00 0.00 C ATOM 0 H LEU A 106 2.785 -3.644 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 106 2.934 -3.549 -9.562 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.952 -1.786 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.532 -1.545 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 106 2.129 -1.353 -9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.391 -1.009 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.108 -2.633 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.590 -1.356 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.776 0.914 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.977 0.570 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.483 0.662 -9.179 1.00 0.00 H new ATOM 1754 N TYR A 107 5.125 -5.137 -8.063 1.00 0.00 N ATOM 1755 CA TYR A 107 6.459 -5.781 -8.263 1.00 0.00 C ATOM 1756 C TYR A 107 6.576 -6.339 -9.690 1.00 0.00 C ATOM 1757 O TYR A 107 7.639 -6.302 -10.276 1.00 0.00 O ATOM 1758 CB TYR A 107 6.694 -6.899 -7.245 1.00 0.00 C ATOM 1759 CG TYR A 107 8.062 -7.498 -7.468 1.00 0.00 C ATOM 1760 CD1 TYR A 107 9.207 -6.727 -7.234 1.00 0.00 C ATOM 1761 CD2 TYR A 107 8.184 -8.821 -7.908 1.00 0.00 C ATOM 1762 CE1 TYR A 107 10.477 -7.281 -7.440 1.00 0.00 C ATOM 1763 CE2 TYR A 107 9.454 -9.374 -8.113 1.00 0.00 C ATOM 1764 CZ TYR A 107 10.600 -8.604 -7.880 1.00 0.00 C ATOM 1765 OH TYR A 107 11.851 -9.148 -8.082 1.00 0.00 O ATOM 0 H TYR A 107 4.523 -5.562 -7.358 1.00 0.00 H new ATOM 0 HA TYR A 107 7.222 -5.017 -8.114 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.618 -6.505 -6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 107 5.927 -7.667 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.111 -5.706 -6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.300 -9.414 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 107 11.361 -6.687 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.550 -10.395 -8.451 1.00 0.00 H new ATOM 0 HH TYR A 107 12.166 -8.919 -8.981 1.00 0.00 H new ATOM 1775 N PRO A 108 5.509 -6.856 -10.254 1.00 0.00 N ATOM 1776 CA PRO A 108 5.537 -7.425 -11.635 1.00 0.00 C ATOM 1777 C PRO A 108 5.740 -6.345 -12.706 1.00 0.00 C ATOM 1778 O PRO A 108 6.634 -6.422 -13.521 1.00 0.00 O ATOM 1779 CB PRO A 108 4.159 -8.094 -11.799 1.00 0.00 C ATOM 1780 CG PRO A 108 3.543 -8.117 -10.438 1.00 0.00 C ATOM 1781 CD PRO A 108 4.166 -6.961 -9.666 1.00 0.00 C ATOM 0 HA PRO A 108 6.369 -8.118 -11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.536 -7.537 -12.499 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.261 -9.103 -12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.461 -8.005 -10.499 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.737 -9.067 -9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.598 -6.039 -9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.209 -7.167 -8.596 1.00 0.00 H new ATOM 1789 N TYR A 109 4.911 -5.342 -12.702 1.00 0.00 N ATOM 1790 CA TYR A 109 5.032 -4.247 -13.707 1.00 0.00 C ATOM 1791 C TYR A 109 6.436 -3.630 -13.619 1.00 0.00 C ATOM 1792 O TYR A 109 7.100 -3.428 -14.613 1.00 0.00 O ATOM 1793 CB TYR A 109 3.973 -3.174 -13.388 1.00 0.00 C ATOM 1794 CG TYR A 109 3.458 -2.521 -14.656 1.00 0.00 C ATOM 1795 CD1 TYR A 109 4.344 -1.869 -15.521 1.00 0.00 C ATOM 1796 CD2 TYR A 109 2.086 -2.564 -14.961 1.00 0.00 C ATOM 1797 CE1 TYR A 109 3.863 -1.261 -16.688 1.00 0.00 C ATOM 1798 CE2 TYR A 109 1.604 -1.953 -16.130 1.00 0.00 C ATOM 1799 CZ TYR A 109 2.494 -1.302 -16.992 1.00 0.00 C ATOM 1800 OH TYR A 109 2.025 -0.701 -18.141 1.00 0.00 O ATOM 0 H TYR A 109 4.145 -5.231 -12.038 1.00 0.00 H new ATOM 0 HA TYR A 109 4.876 -4.637 -14.713 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.143 -3.628 -12.846 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.404 -2.416 -12.734 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.398 -1.835 -15.289 1.00 0.00 H new ATOM 0 HD2 TYR A 109 1.401 -3.068 -14.295 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.548 -0.759 -17.355 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.550 -1.985 -16.363 1.00 0.00 H new ATOM 0 HH TYR A 109 1.586 -1.372 -18.705 1.00 0.00 H new ATOM 1810 N GLU A 110 6.886 -3.323 -12.431 1.00 0.00 N ATOM 1811 CA GLU A 110 8.244 -2.710 -12.271 1.00 0.00 C ATOM 1812 C GLU A 110 9.335 -3.725 -12.613 1.00 0.00 C ATOM 1813 O GLU A 110 10.297 -3.412 -13.278 1.00 0.00 O ATOM 1814 CB GLU A 110 8.439 -2.263 -10.817 1.00 0.00 C ATOM 1815 CG GLU A 110 9.800 -1.570 -10.676 1.00 0.00 C ATOM 1816 CD GLU A 110 10.024 -1.160 -9.220 1.00 0.00 C ATOM 1817 OE1 GLU A 110 9.180 -1.474 -8.397 1.00 0.00 O ATOM 1818 OE2 GLU A 110 11.039 -0.539 -8.950 1.00 0.00 O ATOM 0 H GLU A 110 6.373 -3.469 -11.561 1.00 0.00 H new ATOM 0 HA GLU A 110 8.316 -1.857 -12.945 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.640 -1.582 -10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.386 -3.123 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.595 -2.241 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.840 -0.692 -11.321 1.00 0.00 H new ATOM 1825 N CYS A 111 9.214 -4.929 -12.136 1.00 0.00 N ATOM 1826 CA CYS A 111 10.274 -5.938 -12.412 1.00 0.00 C ATOM 1827 C CYS A 111 10.102 -6.557 -13.800 1.00 0.00 C ATOM 1828 O CYS A 111 11.053 -6.726 -14.533 1.00 0.00 O ATOM 1829 CB CYS A 111 10.207 -7.043 -11.357 1.00 0.00 C ATOM 1830 SG CYS A 111 11.839 -7.804 -11.179 1.00 0.00 S ATOM 0 H CYS A 111 8.432 -5.259 -11.570 1.00 0.00 H new ATOM 0 HA CYS A 111 11.241 -5.437 -12.376 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.880 -6.630 -10.403 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.473 -7.794 -11.648 1.00 0.00 H new ATOM 0 HG CYS A 111 12.704 -6.899 -10.828 1.00 0.00 H new ATOM 1836 N GLU A 112 8.914 -6.941 -14.158 1.00 0.00 N ATOM 1837 CA GLU A 112 8.721 -7.596 -15.478 1.00 0.00 C ATOM 1838 C GLU A 112 8.962 -6.615 -16.634 1.00 0.00 C ATOM 1839 O GLU A 112 9.696 -6.906 -17.557 1.00 0.00 O ATOM 1840 CB GLU A 112 7.289 -8.132 -15.549 1.00 0.00 C ATOM 1841 CG GLU A 112 7.143 -9.033 -16.779 1.00 0.00 C ATOM 1842 CD GLU A 112 8.027 -10.271 -16.614 1.00 0.00 C ATOM 1843 OE1 GLU A 112 8.311 -10.625 -15.483 1.00 0.00 O ATOM 1844 OE2 GLU A 112 8.404 -10.843 -17.624 1.00 0.00 O ATOM 0 H GLU A 112 8.069 -6.831 -13.597 1.00 0.00 H new ATOM 0 HA GLU A 112 9.442 -8.407 -15.577 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.054 -8.692 -14.644 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.582 -7.305 -15.605 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.102 -9.331 -16.903 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.428 -8.487 -17.678 1.00 0.00 H new ATOM 1851 N LYS A 113 8.331 -5.476 -16.616 1.00 0.00 N ATOM 1852 CA LYS A 113 8.514 -4.512 -17.743 1.00 0.00 C ATOM 1853 C LYS A 113 9.887 -3.827 -17.690 1.00 0.00 C ATOM 1854 O LYS A 113 10.443 -3.485 -18.715 1.00 0.00 O ATOM 1855 CB LYS A 113 7.418 -3.443 -17.690 1.00 0.00 C ATOM 1856 CG LYS A 113 6.036 -4.108 -17.735 1.00 0.00 C ATOM 1857 CD LYS A 113 5.632 -4.401 -19.188 1.00 0.00 C ATOM 1858 CE LYS A 113 5.321 -3.093 -19.926 1.00 0.00 C ATOM 1859 NZ LYS A 113 4.298 -3.349 -20.980 1.00 0.00 N ATOM 0 H LYS A 113 7.699 -5.169 -15.876 1.00 0.00 H new ATOM 0 HA LYS A 113 8.450 -5.076 -18.674 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.518 -2.853 -16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.528 -2.756 -18.529 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.052 -5.034 -17.161 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.296 -3.457 -17.269 1.00 0.00 H new ATOM 0 HD2 LYS A 113 6.437 -4.932 -19.697 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.759 -5.053 -19.206 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.955 -2.344 -19.223 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.229 -2.692 -20.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 4.086 -2.463 -21.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.664 -4.050 -21.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 3.429 -3.713 -20.539 1.00 0.00 H new ATOM 1873 N LYS A 114 10.426 -3.583 -16.519 1.00 0.00 N ATOM 1874 CA LYS A 114 11.743 -2.872 -16.438 1.00 0.00 C ATOM 1875 C LYS A 114 12.846 -3.777 -15.862 1.00 0.00 C ATOM 1876 O LYS A 114 14.006 -3.625 -16.191 1.00 0.00 O ATOM 1877 CB LYS A 114 11.567 -1.641 -15.550 1.00 0.00 C ATOM 1878 CG LYS A 114 12.783 -0.726 -15.678 1.00 0.00 C ATOM 1879 CD LYS A 114 12.729 0.049 -17.000 1.00 0.00 C ATOM 1880 CE LYS A 114 13.628 1.281 -16.899 1.00 0.00 C ATOM 1881 NZ LYS A 114 13.911 1.803 -18.266 1.00 0.00 N ATOM 0 H LYS A 114 10.015 -3.843 -15.622 1.00 0.00 H new ATOM 0 HA LYS A 114 12.052 -2.585 -17.443 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.664 -1.102 -15.837 1.00 0.00 H new ATOM 0 HB3 LYS A 114 11.439 -1.947 -14.512 1.00 0.00 H new ATOM 0 HG2 LYS A 114 12.812 -0.029 -14.841 1.00 0.00 H new ATOM 0 HG3 LYS A 114 13.698 -1.317 -15.632 1.00 0.00 H new ATOM 0 HD2 LYS A 114 13.056 -0.588 -17.822 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.704 0.349 -17.218 1.00 0.00 H new ATOM 0 HE2 LYS A 114 13.143 2.050 -16.298 1.00 0.00 H new ATOM 0 HE3 LYS A 114 14.560 1.024 -16.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 14.523 2.641 -18.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 14.391 1.069 -18.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.017 2.063 -18.730 1.00 0.00 H new ATOM 1895 N ASN A 115 12.512 -4.715 -15.015 1.00 0.00 N ATOM 1896 CA ASN A 115 13.570 -5.611 -14.446 1.00 0.00 C ATOM 1897 C ASN A 115 14.647 -4.779 -13.737 1.00 0.00 C ATOM 1898 O ASN A 115 15.828 -5.011 -13.899 1.00 0.00 O ATOM 1899 CB ASN A 115 14.219 -6.412 -15.579 1.00 0.00 C ATOM 1900 CG ASN A 115 14.974 -7.606 -14.994 1.00 0.00 C ATOM 1901 OD1 ASN A 115 14.715 -8.020 -13.882 1.00 0.00 O ATOM 1902 ND2 ASN A 115 15.906 -8.183 -15.703 1.00 0.00 N ATOM 0 H ASN A 115 11.562 -4.901 -14.693 1.00 0.00 H new ATOM 0 HA ASN A 115 13.110 -6.287 -13.726 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.457 -6.757 -16.277 1.00 0.00 H new ATOM 0 HB3 ASN A 115 14.903 -5.777 -16.142 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.416 -8.981 -15.323 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.124 -7.836 -16.637 1.00 0.00 H new ATOM 1909 N LEU A 116 14.249 -3.817 -12.954 1.00 0.00 N ATOM 1910 CA LEU A 116 15.245 -2.968 -12.231 1.00 0.00 C ATOM 1911 C LEU A 116 16.009 -3.795 -11.205 1.00 0.00 C ATOM 1912 O LEU A 116 17.147 -3.510 -10.890 1.00 0.00 O ATOM 1913 CB LEU A 116 14.510 -1.841 -11.516 1.00 0.00 C ATOM 1914 CG LEU A 116 13.854 -0.959 -12.567 1.00 0.00 C ATOM 1915 CD1 LEU A 116 12.859 -0.014 -11.896 1.00 0.00 C ATOM 1916 CD2 LEU A 116 14.925 -0.141 -13.307 1.00 0.00 C ATOM 0 H LEU A 116 13.273 -3.578 -12.781 1.00 0.00 H new ATOM 0 HA LEU A 116 15.953 -2.562 -12.953 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.759 -2.247 -10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.204 -1.258 -10.911 1.00 0.00 H new ATOM 0 HG LEU A 116 13.328 -1.589 -13.284 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.390 0.617 -12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.093 -0.596 -11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.382 0.613 -11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.448 0.488 -14.058 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.460 0.487 -12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.628 -0.817 -13.794 1.00 0.00 H new ATOM 1928 N SER A 117 15.393 -4.803 -10.663 1.00 0.00 N ATOM 1929 CA SER A 117 16.104 -5.620 -9.635 1.00 0.00 C ATOM 1930 C SER A 117 15.539 -7.041 -9.580 1.00 0.00 C ATOM 1931 O SER A 117 14.812 -7.470 -10.455 1.00 0.00 O ATOM 1932 CB SER A 117 15.932 -4.958 -8.267 1.00 0.00 C ATOM 1933 OG SER A 117 16.467 -5.808 -7.262 1.00 0.00 O ATOM 0 H SER A 117 14.441 -5.098 -10.880 1.00 0.00 H new ATOM 0 HA SER A 117 17.159 -5.677 -9.902 1.00 0.00 H new ATOM 0 HB2 SER A 117 16.439 -3.993 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.877 -4.767 -8.073 1.00 0.00 H new ATOM 0 HG SER A 117 17.433 -5.661 -7.189 1.00 0.00 H new ATOM 1939 N THR A 118 15.890 -7.781 -8.557 1.00 0.00 N ATOM 1940 CA THR A 118 15.404 -9.192 -8.435 1.00 0.00 C ATOM 1941 C THR A 118 14.794 -9.410 -7.043 1.00 0.00 C ATOM 1942 O THR A 118 15.086 -8.672 -6.123 1.00 0.00 O ATOM 1943 CB THR A 118 16.594 -10.139 -8.611 1.00 0.00 C ATOM 1944 OG1 THR A 118 17.551 -9.883 -7.594 1.00 0.00 O ATOM 1945 CG2 THR A 118 17.231 -9.915 -9.981 1.00 0.00 C ATOM 0 H THR A 118 16.495 -7.468 -7.798 1.00 0.00 H new ATOM 0 HA THR A 118 14.649 -9.387 -9.196 1.00 0.00 H new ATOM 0 HB THR A 118 16.251 -11.171 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 118 18.314 -10.489 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 118 18.078 -10.590 -10.103 1.00 0.00 H new ATOM 0 HG22 THR A 118 16.495 -10.111 -10.761 1.00 0.00 H new ATOM 0 HG23 THR A 118 17.575 -8.884 -10.058 1.00 0.00 H new ATOM 1953 N PRO A 119 13.959 -10.418 -6.868 1.00 0.00 N ATOM 1954 CA PRO A 119 13.339 -10.698 -5.540 1.00 0.00 C ATOM 1955 C PRO A 119 14.390 -10.877 -4.435 1.00 0.00 C ATOM 1956 O PRO A 119 14.216 -10.415 -3.327 1.00 0.00 O ATOM 1957 CB PRO A 119 12.561 -12.002 -5.750 1.00 0.00 C ATOM 1958 CG PRO A 119 12.342 -12.108 -7.220 1.00 0.00 C ATOM 1959 CD PRO A 119 13.509 -11.388 -7.889 1.00 0.00 C ATOM 0 HA PRO A 119 12.710 -9.870 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.122 -12.858 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.613 -11.983 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 119 12.301 -13.152 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 119 11.393 -11.654 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.305 -12.082 -8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 119 13.197 -10.888 -8.806 1.00 0.00 H new ATOM 1967 N ALA A 120 15.478 -11.545 -4.724 1.00 0.00 N ATOM 1968 CA ALA A 120 16.524 -11.742 -3.675 1.00 0.00 C ATOM 1969 C ALA A 120 17.088 -10.391 -3.265 1.00 0.00 C ATOM 1970 O ALA A 120 17.352 -10.146 -2.105 1.00 0.00 O ATOM 1971 CB ALA A 120 17.644 -12.628 -4.223 1.00 0.00 C ATOM 0 H ALA A 120 15.686 -11.959 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 120 16.080 -12.227 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 120 18.405 -12.769 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.234 -13.596 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 120 18.092 -12.151 -5.094 1.00 0.00 H new ATOM 1977 N GLU A 121 17.246 -9.493 -4.193 1.00 0.00 N ATOM 1978 CA GLU A 121 17.756 -8.156 -3.812 1.00 0.00 C ATOM 1979 C GLU A 121 16.679 -7.491 -2.963 1.00 0.00 C ATOM 1980 O GLU A 121 16.949 -6.935 -1.916 1.00 0.00 O ATOM 1981 CB GLU A 121 18.036 -7.331 -5.069 1.00 0.00 C ATOM 1982 CG GLU A 121 19.222 -7.942 -5.817 1.00 0.00 C ATOM 1983 CD GLU A 121 19.522 -7.118 -7.070 1.00 0.00 C ATOM 1984 OE1 GLU A 121 18.721 -6.256 -7.394 1.00 0.00 O ATOM 1985 OE2 GLU A 121 20.547 -7.361 -7.685 1.00 0.00 O ATOM 0 H GLU A 121 17.047 -9.626 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 121 18.688 -8.234 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.155 -7.314 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.254 -6.298 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 121 20.098 -7.968 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.998 -8.973 -6.093 1.00 0.00 H new ATOM 1992 N LEU A 122 15.450 -7.558 -3.401 1.00 0.00 N ATOM 1993 CA LEU A 122 14.329 -6.955 -2.632 1.00 0.00 C ATOM 1994 C LEU A 122 14.151 -7.694 -1.301 1.00 0.00 C ATOM 1995 O LEU A 122 14.170 -7.094 -0.245 1.00 0.00 O ATOM 1996 CB LEU A 122 13.069 -7.085 -3.487 1.00 0.00 C ATOM 1997 CG LEU A 122 11.827 -6.686 -2.691 1.00 0.00 C ATOM 1998 CD1 LEU A 122 12.057 -5.324 -2.035 1.00 0.00 C ATOM 1999 CD2 LEU A 122 10.610 -6.620 -3.640 1.00 0.00 C ATOM 0 H LEU A 122 15.174 -8.012 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 122 14.530 -5.907 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 122 13.158 -6.454 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.967 -8.112 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 122 11.634 -7.426 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.171 -5.039 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 122 12.914 -5.383 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 122 12.250 -4.577 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.723 -6.336 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.796 -5.881 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.451 -7.597 -4.097 1.00 0.00 H new ATOM 2011 N GLN A 123 14.012 -8.995 -1.335 1.00 0.00 N ATOM 2012 CA GLN A 123 13.875 -9.759 -0.064 1.00 0.00 C ATOM 2013 C GLN A 123 15.086 -9.470 0.820 1.00 0.00 C ATOM 2014 O GLN A 123 14.964 -9.234 2.005 1.00 0.00 O ATOM 2015 CB GLN A 123 13.813 -11.257 -0.371 1.00 0.00 C ATOM 2016 CG GLN A 123 12.523 -11.567 -1.129 1.00 0.00 C ATOM 2017 CD GLN A 123 11.330 -11.410 -0.185 1.00 0.00 C ATOM 2018 OE1 GLN A 123 10.515 -10.406 -0.344 1.00 0.00 O flip ATOM 2019 NE2 GLN A 123 11.145 -12.205 0.715 1.00 0.00 N flip ATOM 0 H GLN A 123 13.988 -9.557 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 123 12.961 -9.460 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 123 14.677 -11.554 -0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 123 13.851 -11.831 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 123 12.418 -10.895 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 123 12.556 -12.582 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 123 11.783 -12.991 0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 123 10.352 -12.086 1.345 1.00 0.00 H new ATOM 2028 N ALA A 124 16.261 -9.481 0.252 1.00 0.00 N ATOM 2029 CA ALA A 124 17.476 -9.196 1.069 1.00 0.00 C ATOM 2030 C ALA A 124 17.375 -7.778 1.643 1.00 0.00 C ATOM 2031 O ALA A 124 17.755 -7.521 2.769 1.00 0.00 O ATOM 2032 CB ALA A 124 18.723 -9.307 0.189 1.00 0.00 C ATOM 0 H ALA A 124 16.432 -9.673 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 124 17.547 -9.916 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 124 19.610 -9.099 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 124 18.790 -10.315 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 124 18.658 -8.587 -0.627 1.00 0.00 H new ATOM 2038 N ALA A 125 16.856 -6.861 0.874 1.00 0.00 N ATOM 2039 CA ALA A 125 16.714 -5.457 1.362 1.00 0.00 C ATOM 2040 C ALA A 125 15.670 -5.439 2.459 1.00 0.00 C ATOM 2041 O ALA A 125 15.776 -4.726 3.436 1.00 0.00 O ATOM 2042 CB ALA A 125 16.259 -4.557 0.216 1.00 0.00 C ATOM 0 H ALA A 125 16.522 -7.023 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 125 17.670 -5.094 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 125 16.156 -3.533 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 125 16.997 -4.588 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 125 15.298 -4.907 -0.162 1.00 0.00 H new ATOM 2048 N ILE A 126 14.674 -6.247 2.305 1.00 0.00 N ATOM 2049 CA ILE A 126 13.623 -6.328 3.326 1.00 0.00 C ATOM 2050 C ILE A 126 14.243 -6.854 4.616 1.00 0.00 C ATOM 2051 O ILE A 126 14.095 -6.276 5.671 1.00 0.00 O ATOM 2052 CB ILE A 126 12.550 -7.260 2.804 1.00 0.00 C ATOM 2053 CG1 ILE A 126 11.716 -6.496 1.777 1.00 0.00 C ATOM 2054 CG2 ILE A 126 11.665 -7.740 3.950 1.00 0.00 C ATOM 2055 CD1 ILE A 126 10.695 -7.428 1.145 1.00 0.00 C ATOM 0 H ILE A 126 14.545 -6.862 1.502 1.00 0.00 H new ATOM 0 HA ILE A 126 13.178 -5.355 3.535 1.00 0.00 H new ATOM 0 HB ILE A 126 13.006 -8.135 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 126 11.209 -5.659 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.365 -6.077 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.898 -8.409 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 126 12.274 -8.272 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 126 11.191 -6.882 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 126 10.103 -6.877 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 126 11.211 -8.250 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 126 10.038 -7.826 1.918 1.00 0.00 H new ATOM 2067 N ASP A 127 14.970 -7.931 4.530 1.00 0.00 N ATOM 2068 CA ASP A 127 15.630 -8.474 5.747 1.00 0.00 C ATOM 2069 C ASP A 127 16.599 -7.422 6.289 1.00 0.00 C ATOM 2070 O ASP A 127 16.739 -7.241 7.482 1.00 0.00 O ATOM 2071 CB ASP A 127 16.403 -9.744 5.386 1.00 0.00 C ATOM 2072 CG ASP A 127 16.948 -10.392 6.660 1.00 0.00 C ATOM 2073 OD1 ASP A 127 16.208 -11.130 7.289 1.00 0.00 O ATOM 2074 OD2 ASP A 127 18.096 -10.137 6.985 1.00 0.00 O ATOM 0 H ASP A 127 15.135 -8.457 3.672 1.00 0.00 H new ATOM 0 HA ASP A 127 14.881 -8.714 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 127 15.751 -10.442 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 127 17.223 -9.503 4.709 1.00 0.00 H new ATOM 2079 N GLY A 128 17.271 -6.728 5.409 1.00 0.00 N ATOM 2080 CA GLY A 128 18.236 -5.683 5.850 1.00 0.00 C ATOM 2081 C GLY A 128 17.510 -4.599 6.652 1.00 0.00 C ATOM 2082 O GLY A 128 18.055 -4.038 7.582 1.00 0.00 O ATOM 0 H GLY A 128 17.191 -6.842 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 128 19.019 -6.134 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 128 18.724 -5.239 4.983 1.00 0.00 H new ATOM 2086 N ASN A 129 16.289 -4.290 6.299 1.00 0.00 N ATOM 2087 CA ASN A 129 15.560 -3.227 7.057 1.00 0.00 C ATOM 2088 C ASN A 129 14.711 -3.859 8.164 1.00 0.00 C ATOM 2089 O ASN A 129 14.513 -3.272 9.210 1.00 0.00 O ATOM 2090 CB ASN A 129 14.673 -2.411 6.108 1.00 0.00 C ATOM 2091 CG ASN A 129 13.477 -3.240 5.635 1.00 0.00 C ATOM 2092 OD1 ASN A 129 13.235 -3.339 4.452 1.00 0.00 O ATOM 2093 ND2 ASN A 129 12.700 -3.820 6.508 1.00 0.00 N ATOM 0 H ASN A 129 15.771 -4.719 5.532 1.00 0.00 H new ATOM 0 HA ASN A 129 16.290 -2.558 7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 129 14.321 -1.512 6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 129 15.257 -2.084 5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 129 11.891 -4.356 6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 129 12.902 -3.738 7.504 1.00 0.00 H new ATOM 2100 N ARG A 130 14.213 -5.048 7.959 1.00 0.00 N ATOM 2101 CA ARG A 130 13.391 -5.691 9.023 1.00 0.00 C ATOM 2102 C ARG A 130 14.254 -5.937 10.259 1.00 0.00 C ATOM 2103 O ARG A 130 15.433 -6.219 10.163 1.00 0.00 O ATOM 2104 CB ARG A 130 12.821 -7.015 8.522 1.00 0.00 C ATOM 2105 CG ARG A 130 11.680 -6.730 7.547 1.00 0.00 C ATOM 2106 CD ARG A 130 10.996 -8.044 7.176 1.00 0.00 C ATOM 2107 NE ARG A 130 10.283 -8.580 8.372 1.00 0.00 N ATOM 2108 CZ ARG A 130 9.405 -9.537 8.238 1.00 0.00 C ATOM 2109 NH1 ARG A 130 9.148 -10.028 7.057 1.00 0.00 N ATOM 2110 NH2 ARG A 130 8.783 -10.002 9.287 1.00 0.00 N ATOM 0 H ARG A 130 14.338 -5.598 7.109 1.00 0.00 H new ATOM 0 HA ARG A 130 12.566 -5.028 9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 130 13.600 -7.598 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 130 12.459 -7.610 9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.961 -6.047 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 130 12.064 -6.241 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 130 10.292 -7.884 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 130 11.734 -8.765 6.824 1.00 0.00 H new ATOM 0 HE ARG A 130 10.482 -8.198 9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.633 -9.664 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 130 8.462 -10.776 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 130 8.983 -9.618 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 130 8.097 -10.750 9.183 1.00 0.00 H new