USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 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 63 LYS NZ :NH3+ -134:sc= 1.84 (180deg=-0.518) USER MOD Set 1.2: A 73 SER OG : rot 96:sc= 1.71 USER MOD Set 2.1: A 38 ASN : amide:sc= 0.0661 K(o=-1.9,f=-14) USER MOD Set 2.2: A 42 SER OG : rot -77:sc= -0.619 USER MOD Set 2.3: A 45 ASN : amide:sc= -3.91! C(o=-1.9!,f=-11!) USER MOD Set 2.4: A 49 ASN : amide:sc= 1.5 K(o=-1.9,f=-3.9) USER MOD Set 2.5: A 88 SER OG : rot 110:sc= 1.08 USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 1.03 USER MOD Set 3.2: A 104 LYS NZ :NH3+ -142:sc= 2.15 (180deg=0.81) USER MOD Single : A 7 LYS NZ :NH3+ 140:sc= -0.733 (180deg=-1.57) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 13 GLN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= 0.879 (180deg=0.000154) USER MOD Single : A 18 CYS SG : rot 75:sc= -1.12! USER MOD Single : A 20 SER OG : rot 84:sc= 1.23 USER MOD Single : A 28 THR OG1 : rot 96:sc= -0.0401 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00169 USER MOD Single : A 47 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.052 USER MOD Single : A 60 MET CE :methyl -124:sc= -4.21! (180deg=-7.59!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= 0.807 (180deg=-0.278!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 113:sc= 0.55 USER MOD Single : A 83 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 89 SER OG : rot 116:sc= 1.09 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 1.14 K(o=1.1,f=-0.067) USER MOD Single : A 98 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.72) USER MOD Single : A 101 GLN : amide:sc= -0.0953 K(o=-0.095,f=-0.78) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 162:sc= 1.27 USER MOD Single : A 112 SER OG : rot 54:sc= 1.07 USER MOD Single : A 115 TYR OH : rot -138:sc= -0.0289! USER MOD Single : A 117 SER OG : rot 123:sc= -0.37 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -10.270 -15.233 -6.353 1.00 0.00 N ATOM 92 CA LYS A 7 -8.869 -15.013 -6.763 1.00 0.00 C ATOM 93 C LYS A 7 -8.667 -13.668 -7.471 1.00 0.00 C ATOM 94 O LYS A 7 -7.602 -13.044 -7.334 1.00 0.00 O ATOM 95 CB LYS A 7 -8.308 -16.196 -7.557 1.00 0.00 C ATOM 96 CG LYS A 7 -7.674 -17.282 -6.667 1.00 0.00 C ATOM 97 CD LYS A 7 -8.708 -17.979 -5.765 1.00 0.00 C ATOM 98 CE LYS A 7 -8.364 -17.845 -4.270 1.00 0.00 C ATOM 99 NZ LYS A 7 -8.606 -16.476 -3.730 1.00 0.00 N ATOM 0 HA LYS A 7 -8.281 -14.955 -5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.109 -16.641 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.560 -15.830 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.186 -18.025 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.899 -16.832 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.694 -17.551 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.764 -19.035 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.957 -18.562 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.317 -18.107 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.017 -16.546 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.706 -15.958 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.264 -15.968 -4.354 1.00 0.00 H new ATOM 113 N ARG A 8 -9.721 -13.176 -8.116 1.00 0.00 N ATOM 114 CA ARG A 8 -9.710 -11.838 -8.692 1.00 0.00 C ATOM 115 C ARG A 8 -9.664 -10.828 -7.556 1.00 0.00 C ATOM 116 O ARG A 8 -8.753 -10.014 -7.463 1.00 0.00 O ATOM 117 CB ARG A 8 -11.002 -11.574 -9.503 1.00 0.00 C ATOM 118 CG ARG A 8 -10.823 -11.305 -10.985 1.00 0.00 C ATOM 119 CD ARG A 8 -11.715 -12.222 -11.809 1.00 0.00 C ATOM 120 NE ARG A 8 -11.577 -13.610 -11.362 1.00 0.00 N ATOM 121 CZ ARG A 8 -12.569 -14.429 -10.969 1.00 0.00 C ATOM 122 NH1 ARG A 8 -13.858 -14.056 -11.085 1.00 0.00 N ATOM 123 NH2 ARG A 8 -12.257 -15.613 -10.456 1.00 0.00 N ATOM 0 H ARG A 8 -10.594 -13.686 -8.252 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.846 -11.749 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.659 -12.436 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.515 -10.721 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.063 -10.264 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.780 -11.457 -11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.754 -11.906 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.450 -12.145 -12.863 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.632 -13.995 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.092 -13.143 -11.475 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.601 -14.687 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.279 -15.888 -10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.995 -16.248 -10.152 1.00 0.00 H new ATOM 137 N HIS A 9 -10.721 -10.861 -6.758 1.00 0.00 N ATOM 138 CA HIS A 9 -10.959 -9.920 -5.687 1.00 0.00 C ATOM 139 C HIS A 9 -9.853 -9.814 -4.662 1.00 0.00 C ATOM 140 O HIS A 9 -9.564 -8.707 -4.235 1.00 0.00 O ATOM 141 CB HIS A 9 -12.289 -10.196 -5.005 1.00 0.00 C ATOM 142 CG HIS A 9 -13.442 -9.556 -5.703 1.00 0.00 C ATOM 143 ND1 HIS A 9 -14.232 -8.596 -5.118 1.00 0.00 N ATOM 144 CD2 HIS A 9 -13.931 -9.733 -6.962 1.00 0.00 C ATOM 145 CE1 HIS A 9 -15.156 -8.208 -5.973 1.00 0.00 C ATOM 146 NE2 HIS A 9 -15.001 -8.881 -7.101 1.00 0.00 N ATOM 0 H HIS A 9 -11.454 -11.565 -6.845 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.986 -8.948 -6.179 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.451 -11.273 -4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.247 -9.835 -3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.550 -10.414 -7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.915 -7.463 -5.784 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.579 -8.784 -7.936 1.00 0.00 H new ATOM 155 N ASP A 10 -9.231 -10.927 -4.237 1.00 0.00 N ATOM 156 CA ASP A 10 -8.176 -10.772 -3.197 1.00 0.00 C ATOM 157 C ASP A 10 -6.935 -10.119 -3.740 1.00 0.00 C ATOM 158 O ASP A 10 -6.480 -9.107 -3.189 1.00 0.00 O ATOM 159 CB ASP A 10 -7.860 -12.020 -2.307 1.00 0.00 C ATOM 160 CG ASP A 10 -7.864 -13.369 -2.960 1.00 0.00 C ATOM 161 OD1 ASP A 10 -7.665 -13.478 -4.166 1.00 0.00 O ATOM 162 OD2 ASP A 10 -8.044 -14.355 -2.222 1.00 0.00 O ATOM 0 H ASP A 10 -9.413 -11.877 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.640 -10.092 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.879 -11.870 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.584 -12.041 -1.492 1.00 0.00 H new ATOM 167 N VAL A 11 -6.442 -10.593 -4.877 1.00 0.00 N ATOM 168 CA VAL A 11 -5.322 -9.915 -5.524 1.00 0.00 C ATOM 169 C VAL A 11 -5.758 -8.493 -5.923 1.00 0.00 C ATOM 170 O VAL A 11 -5.049 -7.514 -5.628 1.00 0.00 O ATOM 171 CB VAL A 11 -4.768 -10.712 -6.746 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.980 -9.815 -7.701 1.00 0.00 C ATOM 173 CG2 VAL A 11 -3.881 -11.840 -6.254 1.00 0.00 C ATOM 0 H VAL A 11 -6.787 -11.422 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.498 -9.854 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.618 -11.116 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.612 -10.409 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.629 -9.023 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.136 -9.372 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.494 -12.397 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.050 -11.427 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.461 -12.508 -5.618 1.00 0.00 H new ATOM 183 N ALA A 12 -6.970 -8.375 -6.521 1.00 0.00 N ATOM 184 CA ALA A 12 -7.536 -7.063 -6.869 1.00 0.00 C ATOM 185 C ALA A 12 -7.503 -6.155 -5.662 1.00 0.00 C ATOM 186 O ALA A 12 -6.919 -5.092 -5.723 1.00 0.00 O ATOM 187 CB ALA A 12 -8.971 -7.183 -7.386 1.00 0.00 C ATOM 0 H ALA A 12 -7.563 -9.168 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.928 -6.640 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.353 -6.192 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.985 -7.809 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.598 -7.633 -6.617 1.00 0.00 H new ATOM 193 N GLN A 13 -8.092 -6.623 -4.551 1.00 0.00 N ATOM 194 CA GLN A 13 -8.104 -5.895 -3.278 1.00 0.00 C ATOM 195 C GLN A 13 -6.693 -5.482 -2.874 1.00 0.00 C ATOM 196 O GLN A 13 -6.471 -4.326 -2.512 1.00 0.00 O ATOM 197 CB GLN A 13 -8.736 -6.762 -2.167 1.00 0.00 C ATOM 198 CG GLN A 13 -10.262 -6.707 -2.122 1.00 0.00 C ATOM 199 CD GLN A 13 -10.812 -6.362 -0.748 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.689 -5.505 -0.621 1.00 0.00 O ATOM 201 NE2 GLN A 13 -10.323 -7.026 0.285 1.00 0.00 N ATOM 0 H GLN A 13 -8.575 -7.521 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.704 -4.995 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.425 -7.797 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.343 -6.440 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.613 -5.968 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.663 -7.671 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.598 -7.729 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.671 -6.836 1.225 1.00 0.00 H new ATOM 210 N LEU A 14 -5.741 -6.429 -2.960 1.00 0.00 N ATOM 211 CA LEU A 14 -4.337 -6.162 -2.615 1.00 0.00 C ATOM 212 C LEU A 14 -3.838 -4.908 -3.335 1.00 0.00 C ATOM 213 O LEU A 14 -3.488 -3.905 -2.691 1.00 0.00 O ATOM 214 CB LEU A 14 -3.436 -7.375 -2.970 1.00 0.00 C ATOM 215 CG LEU A 14 -2.236 -7.655 -2.039 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.627 -6.372 -1.489 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.637 -8.577 -0.908 1.00 0.00 C ATOM 0 H LEU A 14 -5.921 -7.385 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.281 -5.997 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.062 -8.267 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.054 -7.229 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.472 -8.148 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.787 -6.617 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.279 -5.752 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.379 -5.828 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.776 -8.760 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.433 -8.113 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.992 -9.523 -1.318 1.00 0.00 H new ATOM 229 N LYS A 15 -3.846 -4.952 -4.672 1.00 0.00 N ATOM 230 CA LYS A 15 -3.420 -3.791 -5.469 1.00 0.00 C ATOM 231 C LYS A 15 -4.367 -2.620 -5.260 1.00 0.00 C ATOM 232 O LYS A 15 -3.927 -1.522 -4.975 1.00 0.00 O ATOM 233 CB LYS A 15 -3.281 -4.105 -6.981 1.00 0.00 C ATOM 234 CG LYS A 15 -4.170 -5.235 -7.511 1.00 0.00 C ATOM 235 CD LYS A 15 -4.162 -5.289 -9.038 1.00 0.00 C ATOM 236 CE LYS A 15 -5.482 -4.807 -9.660 1.00 0.00 C ATOM 237 NZ LYS A 15 -6.085 -3.653 -8.937 1.00 0.00 N ATOM 0 H LYS A 15 -4.137 -5.762 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.426 -3.523 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.504 -3.198 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.241 -4.359 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.825 -6.188 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.191 -5.092 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.343 -4.675 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.967 -6.312 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.305 -4.525 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.194 -5.633 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.781 -3.184 -9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.557 -3.992 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.339 -2.976 -8.680 1.00 0.00 H new ATOM 251 N PHE A 16 -5.673 -2.889 -5.348 1.00 0.00 N ATOM 252 CA PHE A 16 -6.728 -1.883 -5.136 1.00 0.00 C ATOM 253 C PHE A 16 -6.423 -1.041 -3.908 1.00 0.00 C ATOM 254 O PHE A 16 -6.431 0.195 -3.983 1.00 0.00 O ATOM 255 CB PHE A 16 -8.102 -2.581 -4.985 1.00 0.00 C ATOM 256 CG PHE A 16 -9.220 -1.720 -4.457 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.401 -1.557 -3.091 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.097 -1.090 -5.322 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.431 -0.783 -2.604 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.128 -0.313 -4.837 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.296 -0.159 -3.478 1.00 0.00 C ATOM 0 H PHE A 16 -6.035 -3.817 -5.570 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.762 -1.223 -6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.399 -2.972 -5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.983 -3.437 -4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.726 -2.043 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.973 -1.208 -6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.561 -0.665 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.804 0.175 -5.523 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.104 0.449 -3.098 1.00 0.00 H new ATOM 271 N LEU A 17 -6.140 -1.696 -2.784 1.00 0.00 N ATOM 272 CA LEU A 17 -5.803 -0.995 -1.548 1.00 0.00 C ATOM 273 C LEU A 17 -4.568 -0.122 -1.762 1.00 0.00 C ATOM 274 O LEU A 17 -4.604 1.099 -1.523 1.00 0.00 O ATOM 275 CB LEU A 17 -5.561 -1.990 -0.404 1.00 0.00 C ATOM 276 CG LEU A 17 -6.640 -2.044 0.693 1.00 0.00 C ATOM 277 CD1 LEU A 17 -6.826 -0.683 1.350 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.963 -2.546 0.132 1.00 0.00 C ATOM 0 H LEU A 17 -6.138 -2.713 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.644 -0.359 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.459 -2.987 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.608 -1.746 0.065 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.300 -2.746 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.594 -0.753 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.886 -0.366 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.131 0.045 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.708 -2.575 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.301 -1.875 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.829 -3.548 -0.276 1.00 0.00 H new ATOM 290 N CYS A 18 -3.494 -0.741 -2.286 1.00 0.00 N ATOM 291 CA CYS A 18 -2.253 -0.017 -2.614 1.00 0.00 C ATOM 292 C CYS A 18 -2.561 1.171 -3.529 1.00 0.00 C ATOM 293 O CYS A 18 -2.167 2.302 -3.235 1.00 0.00 O ATOM 294 CB CYS A 18 -1.233 -0.948 -3.283 1.00 0.00 C ATOM 295 SG CYS A 18 -0.860 -2.452 -2.347 1.00 0.00 S ATOM 0 H CYS A 18 -3.461 -1.740 -2.491 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.819 0.352 -1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.609 -1.231 -4.266 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.307 -0.396 -3.443 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.851 -3.286 -2.454 1.00 0.00 H new ATOM 301 N GLU A 19 -3.292 0.901 -4.618 1.00 0.00 N ATOM 302 CA GLU A 19 -3.731 1.920 -5.568 1.00 0.00 C ATOM 303 C GLU A 19 -4.515 3.019 -4.854 1.00 0.00 C ATOM 304 O GLU A 19 -4.251 4.203 -5.059 1.00 0.00 O ATOM 305 CB GLU A 19 -4.621 1.284 -6.629 1.00 0.00 C ATOM 306 CG GLU A 19 -3.923 0.238 -7.482 1.00 0.00 C ATOM 307 CD GLU A 19 -4.806 -0.332 -8.546 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.655 0.390 -9.070 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.654 -1.506 -8.871 1.00 0.00 O ATOM 0 H GLU A 19 -3.596 -0.041 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.849 2.358 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.479 0.824 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.008 2.068 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.044 0.684 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.569 -0.569 -6.840 1.00 0.00 H new ATOM 316 N SER A 20 -5.468 2.619 -4.010 1.00 0.00 N ATOM 317 CA SER A 20 -6.265 3.572 -3.242 1.00 0.00 C ATOM 318 C SER A 20 -5.338 4.503 -2.475 1.00 0.00 C ATOM 319 O SER A 20 -5.326 5.708 -2.717 1.00 0.00 O ATOM 320 CB SER A 20 -7.204 2.854 -2.265 1.00 0.00 C ATOM 321 OG SER A 20 -8.009 1.856 -2.918 1.00 0.00 O ATOM 0 H SER A 20 -5.705 1.641 -3.842 1.00 0.00 H new ATOM 0 HA SER A 20 -6.878 4.146 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.615 2.385 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.854 3.585 -1.785 1.00 0.00 H new ATOM 0 HG SER A 20 -7.500 1.022 -2.992 1.00 0.00 H new ATOM 327 N LEU A 21 -4.482 3.919 -1.625 1.00 0.00 N ATOM 328 CA LEU A 21 -3.485 4.698 -0.888 1.00 0.00 C ATOM 329 C LEU A 21 -2.607 5.507 -1.848 1.00 0.00 C ATOM 330 O LEU A 21 -2.264 6.641 -1.561 1.00 0.00 O ATOM 331 CB LEU A 21 -2.622 3.802 -0.004 1.00 0.00 C ATOM 332 CG LEU A 21 -1.692 4.532 0.963 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.467 5.235 2.067 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.678 3.577 1.540 1.00 0.00 C ATOM 0 H LEU A 21 -4.462 2.917 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.022 5.392 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.278 3.150 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.019 3.160 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.164 5.301 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.770 5.743 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.145 5.966 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.041 4.501 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.023 4.113 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.193 2.780 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.084 3.146 0.734 1.00 0.00 H new ATOM 346 N TYR A 22 -2.286 4.929 -2.996 1.00 0.00 N ATOM 347 CA TYR A 22 -1.497 5.614 -4.019 1.00 0.00 C ATOM 348 C TYR A 22 -2.240 6.871 -4.509 1.00 0.00 C ATOM 349 O TYR A 22 -1.627 7.895 -4.784 1.00 0.00 O ATOM 350 CB TYR A 22 -1.219 4.654 -5.198 1.00 0.00 C ATOM 351 CG TYR A 22 -0.290 5.164 -6.286 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.572 6.240 -6.081 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.273 4.545 -7.525 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.411 6.673 -7.083 1.00 0.00 C ATOM 355 CE2 TYR A 22 0.564 4.969 -8.525 1.00 0.00 C ATOM 356 CZ TYR A 22 1.402 6.031 -8.303 1.00 0.00 C ATOM 357 OH TYR A 22 2.251 6.447 -9.302 1.00 0.00 O ATOM 0 H TYR A 22 -2.561 3.979 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.545 5.923 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.798 3.733 -4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.172 4.395 -5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.582 6.740 -5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.933 3.710 -7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.072 7.510 -6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.563 4.469 -9.482 1.00 0.00 H new ATOM 0 HH TYR A 22 2.119 5.889 -10.097 1.00 0.00 H new ATOM 367 N ASP A 23 -3.561 6.777 -4.635 1.00 0.00 N ATOM 368 CA ASP A 23 -4.388 7.903 -5.102 1.00 0.00 C ATOM 369 C ASP A 23 -4.697 8.874 -3.978 1.00 0.00 C ATOM 370 O ASP A 23 -4.353 10.072 -4.062 1.00 0.00 O ATOM 371 CB ASP A 23 -5.687 7.406 -5.746 1.00 0.00 C ATOM 372 CG ASP A 23 -5.788 7.783 -7.176 1.00 0.00 C ATOM 373 OD1 ASP A 23 -4.984 7.286 -7.978 1.00 0.00 O ATOM 374 OD2 ASP A 23 -6.665 8.571 -7.516 1.00 0.00 O ATOM 0 H ASP A 23 -4.090 5.932 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.808 8.434 -5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.743 6.321 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.539 7.817 -5.204 1.00 0.00 H new ATOM 379 N GLU A 24 -5.323 8.355 -2.916 1.00 0.00 N ATOM 380 CA GLU A 24 -5.671 9.165 -1.740 1.00 0.00 C ATOM 381 C GLU A 24 -4.395 9.753 -1.115 1.00 0.00 C ATOM 382 O GLU A 24 -4.381 10.910 -0.678 1.00 0.00 O ATOM 383 CB GLU A 24 -6.485 8.345 -0.676 1.00 0.00 C ATOM 384 CG GLU A 24 -7.429 7.237 -1.240 1.00 0.00 C ATOM 385 CD GLU A 24 -8.829 7.691 -1.547 1.00 0.00 C ATOM 386 OE1 GLU A 24 -9.026 8.865 -1.862 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.737 6.849 -1.502 1.00 0.00 O ATOM 0 H GLU A 24 -5.600 7.376 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.316 9.978 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.779 7.878 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.085 9.042 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.986 6.833 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.478 6.421 -0.519 1.00 0.00 H new ATOM 394 N GLY A 25 -3.319 8.962 -1.122 1.00 0.00 N ATOM 395 CA GLY A 25 -2.040 9.394 -0.605 1.00 0.00 C ATOM 396 C GLY A 25 -1.500 10.592 -1.323 1.00 0.00 C ATOM 397 O GLY A 25 -1.331 11.632 -0.706 1.00 0.00 O ATOM 0 H GLY A 25 -3.321 8.010 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.141 9.626 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.325 8.575 -0.685 1.00 0.00 H new ATOM 401 N ILE A 26 -1.247 10.470 -2.643 1.00 0.00 N ATOM 402 CA ILE A 26 -0.725 11.608 -3.433 1.00 0.00 C ATOM 403 C ILE A 26 -1.580 12.862 -3.207 1.00 0.00 C ATOM 404 O ILE A 26 -1.053 13.925 -2.870 1.00 0.00 O ATOM 405 CB ILE A 26 -0.634 11.290 -4.966 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.299 10.099 -5.219 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.136 12.505 -5.748 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.751 10.373 -4.869 1.00 0.00 C ATOM 0 H ILE A 26 -1.392 9.613 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 26 0.290 11.792 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.637 11.037 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.050 9.246 -4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.235 9.816 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.082 12.258 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.825 13.338 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.854 12.787 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.349 9.485 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.119 11.205 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.829 10.626 -3.812 1.00 0.00 H new ATOM 420 N ALA A 27 -2.908 12.714 -3.325 1.00 0.00 N ATOM 421 CA ALA A 27 -3.826 13.833 -3.075 1.00 0.00 C ATOM 422 C ALA A 27 -3.556 14.449 -1.703 1.00 0.00 C ATOM 423 O ALA A 27 -3.475 15.673 -1.568 1.00 0.00 O ATOM 424 CB ALA A 27 -5.278 13.379 -3.166 1.00 0.00 C ATOM 0 H ALA A 27 -3.365 11.841 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.652 14.587 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.937 14.227 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.474 12.983 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.464 12.603 -2.424 1.00 0.00 H new ATOM 430 N THR A 28 -3.401 13.594 -0.697 1.00 0.00 N ATOM 431 CA THR A 28 -3.138 14.041 0.657 1.00 0.00 C ATOM 432 C THR A 28 -1.696 14.593 0.815 1.00 0.00 C ATOM 433 O THR A 28 -1.506 15.652 1.417 1.00 0.00 O ATOM 434 CB THR A 28 -3.455 12.918 1.674 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.710 12.320 1.394 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.486 13.387 3.111 1.00 0.00 C ATOM 0 H THR A 28 -3.454 12.581 -0.801 1.00 0.00 H new ATOM 0 HA THR A 28 -3.806 14.875 0.872 1.00 0.00 H new ATOM 0 HB THR A 28 -2.640 12.203 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.575 11.511 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.714 12.545 3.764 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.514 13.801 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.252 14.154 3.227 1.00 0.00 H new ATOM 444 N LEU A 29 -0.681 13.904 0.254 1.00 0.00 N ATOM 445 CA LEU A 29 0.701 14.396 0.360 1.00 0.00 C ATOM 446 C LEU A 29 0.877 15.709 -0.418 1.00 0.00 C ATOM 447 O LEU A 29 1.696 16.561 -0.033 1.00 0.00 O ATOM 448 CB LEU A 29 1.708 13.367 -0.187 1.00 0.00 C ATOM 449 CG LEU A 29 1.576 11.917 0.300 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.906 10.933 -0.815 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.463 11.659 1.504 1.00 0.00 C ATOM 0 H LEU A 29 -0.789 13.031 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 29 0.895 14.564 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.630 13.365 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.711 13.714 0.060 1.00 0.00 H new ATOM 0 HG LEU A 29 0.539 11.767 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.804 9.914 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.220 11.085 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.930 11.096 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.348 10.624 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.503 11.842 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.176 12.326 2.317 1.00 0.00 H new ATOM 576 N ASN A 38 0.929 18.244 6.045 1.00 0.00 N ATOM 577 CA ASN A 38 -0.232 17.367 6.153 1.00 0.00 C ATOM 578 C ASN A 38 -0.389 16.922 7.583 1.00 0.00 C ATOM 579 O ASN A 38 0.514 16.295 8.149 1.00 0.00 O ATOM 580 CB ASN A 38 -0.134 16.141 5.241 1.00 0.00 C ATOM 581 CG ASN A 38 -1.451 15.395 5.177 1.00 0.00 C ATOM 582 OD1 ASN A 38 -1.530 14.240 5.570 1.00 0.00 O ATOM 583 ND2 ASN A 38 -2.493 16.042 4.684 1.00 0.00 N ATOM 0 HA ASN A 38 -1.103 17.938 5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.158 16.453 4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.647 15.474 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.399 15.578 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.391 17.006 4.365 1.00 0.00 H new ATOM 590 N ASP A 39 -1.514 17.290 8.178 1.00 0.00 N ATOM 591 CA ASP A 39 -1.795 16.969 9.568 1.00 0.00 C ATOM 592 C ASP A 39 -2.279 15.542 9.682 1.00 0.00 C ATOM 593 O ASP A 39 -3.272 15.181 9.031 1.00 0.00 O ATOM 594 CB ASP A 39 -2.876 17.914 10.143 1.00 0.00 C ATOM 595 CG ASP A 39 -2.308 19.079 10.877 1.00 0.00 C ATOM 596 OD1 ASP A 39 -1.750 18.884 11.955 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.424 20.200 10.384 1.00 0.00 O ATOM 0 H ASP A 39 -2.254 17.817 7.713 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.873 17.095 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.503 18.277 9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.522 17.350 10.815 1.00 0.00 H new ATOM 602 N PRO A 40 -1.643 14.709 10.547 1.00 0.00 N ATOM 603 CA PRO A 40 -2.071 13.304 10.775 1.00 0.00 C ATOM 604 C PRO A 40 -3.549 13.157 11.233 1.00 0.00 C ATOM 605 O PRO A 40 -4.041 12.027 11.396 1.00 0.00 O ATOM 606 CB PRO A 40 -1.122 12.806 11.874 1.00 0.00 C ATOM 607 CG PRO A 40 0.066 13.708 11.793 1.00 0.00 C ATOM 608 CD PRO A 40 -0.463 15.054 11.377 1.00 0.00 C ATOM 0 HA PRO A 40 -2.023 12.734 9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.592 12.859 12.856 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.840 11.766 11.711 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.576 13.769 12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.792 13.334 11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.740 15.662 12.238 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.276 15.621 10.811 1.00 0.00 H new ATOM 616 N THR A 41 -4.235 14.277 11.473 1.00 0.00 N ATOM 617 CA THR A 41 -5.625 14.278 11.900 1.00 0.00 C ATOM 618 C THR A 41 -6.579 14.500 10.712 1.00 0.00 C ATOM 619 O THR A 41 -7.799 14.352 10.857 1.00 0.00 O ATOM 620 CB THR A 41 -5.824 15.366 12.954 1.00 0.00 C ATOM 621 OG1 THR A 41 -5.214 16.594 12.532 1.00 0.00 O ATOM 622 CG2 THR A 41 -5.196 14.999 14.261 1.00 0.00 C ATOM 0 H THR A 41 -3.835 15.210 11.374 1.00 0.00 H new ATOM 0 HA THR A 41 -5.860 13.303 12.328 1.00 0.00 H new ATOM 0 HB THR A 41 -6.901 15.478 13.076 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.352 17.280 13.218 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.361 15.800 14.982 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.643 14.078 14.634 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.125 14.852 14.121 1.00 0.00 H new ATOM 630 N SER A 42 -6.034 14.888 9.554 1.00 0.00 N ATOM 631 CA SER A 42 -6.844 15.130 8.384 1.00 0.00 C ATOM 632 C SER A 42 -7.564 13.846 7.958 1.00 0.00 C ATOM 633 O SER A 42 -6.995 12.745 8.058 1.00 0.00 O ATOM 634 CB SER A 42 -5.989 15.701 7.244 1.00 0.00 C ATOM 635 OG SER A 42 -4.792 14.949 7.031 1.00 0.00 O ATOM 0 H SER A 42 -5.035 15.038 9.415 1.00 0.00 H new ATOM 0 HA SER A 42 -7.603 15.872 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.575 15.714 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.730 16.735 7.471 1.00 0.00 H new ATOM 0 HG SER A 42 -4.134 15.179 7.720 1.00 0.00 H new ATOM 641 N ALA A 43 -8.830 13.978 7.555 1.00 0.00 N ATOM 642 CA ALA A 43 -9.664 12.824 7.185 1.00 0.00 C ATOM 643 C ALA A 43 -8.923 11.812 6.338 1.00 0.00 C ATOM 644 O ALA A 43 -8.792 10.660 6.736 1.00 0.00 O ATOM 645 CB ALA A 43 -10.950 13.253 6.496 1.00 0.00 C ATOM 0 H ALA A 43 -9.305 14.877 7.475 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.924 12.334 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.537 12.371 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.527 13.890 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.709 13.806 5.588 1.00 0.00 H new ATOM 651 N VAL A 44 -8.406 12.253 5.192 1.00 0.00 N ATOM 652 CA VAL A 44 -7.679 11.394 4.304 1.00 0.00 C ATOM 653 C VAL A 44 -6.535 10.756 5.036 1.00 0.00 C ATOM 654 O VAL A 44 -6.436 9.539 5.076 1.00 0.00 O ATOM 655 CB VAL A 44 -7.120 12.101 3.047 1.00 0.00 C ATOM 656 CG1 VAL A 44 -7.632 11.462 1.770 1.00 0.00 C ATOM 657 CG2 VAL A 44 -7.378 13.579 3.031 1.00 0.00 C ATOM 0 H VAL A 44 -8.488 13.217 4.868 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.402 10.654 3.959 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.039 11.969 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.217 11.986 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.327 10.416 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.720 11.524 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.960 14.012 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.452 13.761 3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.910 14.040 3.901 1.00 0.00 H new ATOM 667 N ASN A 45 -5.694 11.598 5.656 1.00 0.00 N ATOM 668 CA ASN A 45 -4.560 11.119 6.432 1.00 0.00 C ATOM 669 C ASN A 45 -5.004 9.986 7.369 1.00 0.00 C ATOM 670 O ASN A 45 -4.419 8.882 7.367 1.00 0.00 O ATOM 671 CB ASN A 45 -3.923 12.256 7.243 1.00 0.00 C ATOM 672 CG ASN A 45 -2.619 11.870 7.891 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.559 10.924 8.668 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.559 12.596 7.580 1.00 0.00 N ATOM 0 H ASN A 45 -5.786 12.614 5.630 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.811 10.738 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.756 13.111 6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.622 12.578 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.652 12.376 7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.648 13.376 6.929 1.00 0.00 H new ATOM 681 N LEU A 46 -6.090 10.237 8.119 1.00 0.00 N ATOM 682 CA LEU A 46 -6.669 9.232 9.008 1.00 0.00 C ATOM 683 C LEU A 46 -7.043 7.982 8.227 1.00 0.00 C ATOM 684 O LEU A 46 -6.566 6.880 8.548 1.00 0.00 O ATOM 685 CB LEU A 46 -7.900 9.773 9.739 1.00 0.00 C ATOM 686 CG LEU A 46 -7.653 10.961 10.671 1.00 0.00 C ATOM 687 CD1 LEU A 46 -8.957 11.470 11.232 1.00 0.00 C ATOM 688 CD2 LEU A 46 -6.702 10.576 11.794 1.00 0.00 C ATOM 0 H LEU A 46 -6.581 11.131 8.123 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.914 8.979 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.641 10.067 8.995 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.338 8.963 10.322 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.190 11.760 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.764 12.315 11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.605 11.789 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.447 10.675 11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.540 11.435 12.445 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.134 9.759 12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.749 10.257 11.371 1.00 0.00 H new ATOM 700 N GLN A 47 -7.860 8.165 7.172 1.00 0.00 N ATOM 701 CA GLN A 47 -8.267 7.096 6.291 1.00 0.00 C ATOM 702 C GLN A 47 -7.071 6.315 5.786 1.00 0.00 C ATOM 703 O GLN A 47 -7.069 5.088 5.838 1.00 0.00 O ATOM 704 CB GLN A 47 -9.003 7.701 5.151 1.00 0.00 C ATOM 705 CG GLN A 47 -10.211 8.491 5.622 1.00 0.00 C ATOM 706 CD GLN A 47 -11.345 8.192 4.798 1.00 0.00 C ATOM 707 OE1 GLN A 47 -12.405 7.793 5.271 1.00 0.00 O ATOM 708 NE2 GLN A 47 -11.160 8.372 3.561 1.00 0.00 N ATOM 0 H GLN A 47 -8.250 9.073 6.920 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.904 6.397 6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.335 8.356 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.325 6.916 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.432 8.248 6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.995 9.559 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.257 8.706 3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.914 8.184 2.900 1.00 0.00 H new ATOM 717 N LEU A 48 -6.056 7.033 5.296 1.00 0.00 N ATOM 718 CA LEU A 48 -4.825 6.422 4.801 1.00 0.00 C ATOM 719 C LEU A 48 -4.203 5.539 5.869 1.00 0.00 C ATOM 720 O LEU A 48 -3.957 4.367 5.626 1.00 0.00 O ATOM 721 CB LEU A 48 -3.820 7.489 4.340 1.00 0.00 C ATOM 722 CG LEU A 48 -4.328 8.513 3.303 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.204 9.028 2.466 1.00 0.00 C ATOM 724 CD2 LEU A 48 -5.414 7.935 2.416 1.00 0.00 C ATOM 0 H LEU A 48 -6.067 8.051 5.233 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.081 5.805 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.476 8.035 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.952 6.981 3.920 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.761 9.341 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.589 9.748 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.467 9.514 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.734 8.199 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.741 8.691 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.023 7.072 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.260 7.626 3.030 1.00 0.00 H new ATOM 736 N ASN A 49 -3.998 6.089 7.076 1.00 0.00 N ATOM 737 CA ASN A 49 -3.452 5.286 8.198 1.00 0.00 C ATOM 738 C ASN A 49 -4.339 4.058 8.439 1.00 0.00 C ATOM 739 O ASN A 49 -3.841 2.927 8.525 1.00 0.00 O ATOM 740 CB ASN A 49 -3.351 6.100 9.496 1.00 0.00 C ATOM 741 CG ASN A 49 -2.187 7.079 9.524 1.00 0.00 C ATOM 742 OD1 ASN A 49 -1.051 6.721 9.885 1.00 0.00 O ATOM 743 ND2 ASN A 49 -2.442 8.308 9.138 1.00 0.00 N ATOM 0 H ASN A 49 -4.195 7.063 7.305 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.446 4.977 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.280 6.652 9.640 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.255 5.413 10.337 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.697 9.004 9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.385 8.566 8.849 1.00 0.00 H new ATOM 750 N ASP A 50 -5.669 4.290 8.498 1.00 0.00 N ATOM 751 CA ASP A 50 -6.659 3.208 8.678 1.00 0.00 C ATOM 752 C ASP A 50 -6.489 2.152 7.606 1.00 0.00 C ATOM 753 O ASP A 50 -6.292 0.965 7.913 1.00 0.00 O ATOM 754 CB ASP A 50 -8.091 3.762 8.596 1.00 0.00 C ATOM 755 CG ASP A 50 -9.137 2.681 8.523 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.468 2.099 9.548 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.637 2.417 7.428 1.00 0.00 O ATOM 0 H ASP A 50 -6.081 5.220 8.423 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.493 2.768 9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.283 4.387 9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.177 4.403 7.719 1.00 0.00 H new ATOM 762 N LEU A 51 -6.578 2.580 6.349 1.00 0.00 N ATOM 763 CA LEU A 51 -6.439 1.665 5.225 1.00 0.00 C ATOM 764 C LEU A 51 -5.059 1.014 5.209 1.00 0.00 C ATOM 765 O LEU A 51 -4.959 -0.160 4.960 1.00 0.00 O ATOM 766 CB LEU A 51 -6.801 2.304 3.863 1.00 0.00 C ATOM 767 CG LEU A 51 -5.976 3.511 3.415 1.00 0.00 C ATOM 768 CD1 LEU A 51 -4.672 3.064 2.794 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.761 4.381 2.443 1.00 0.00 C ATOM 0 H LEU A 51 -6.745 3.551 6.086 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.176 0.877 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.717 1.534 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.848 2.605 3.899 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.751 4.110 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.099 3.937 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.097 2.495 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.878 2.436 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.150 5.232 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.027 3.795 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.669 4.740 2.928 1.00 0.00 H new ATOM 781 N ILE A 52 -4.007 1.767 5.564 1.00 0.00 N ATOM 782 CA ILE A 52 -2.652 1.198 5.684 1.00 0.00 C ATOM 783 C ILE A 52 -2.710 -0.049 6.598 1.00 0.00 C ATOM 784 O ILE A 52 -2.319 -1.155 6.187 1.00 0.00 O ATOM 785 CB ILE A 52 -1.634 2.264 6.246 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.240 3.262 5.156 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.384 1.627 6.848 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.535 4.485 5.692 1.00 0.00 C ATOM 0 H ILE A 52 -4.065 2.764 5.772 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.297 0.906 4.696 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.148 2.789 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.592 2.764 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.135 3.574 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.280 2.408 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.670 0.973 7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.131 1.045 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.284 5.151 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.190 5.005 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.378 4.183 6.205 1.00 0.00 H new ATOM 800 N GLU A 53 -3.296 0.118 7.792 1.00 0.00 N ATOM 801 CA GLU A 53 -3.500 -1.011 8.706 1.00 0.00 C ATOM 802 C GLU A 53 -4.438 -2.028 8.080 1.00 0.00 C ATOM 803 O GLU A 53 -4.178 -3.223 8.122 1.00 0.00 O ATOM 804 CB GLU A 53 -4.034 -0.539 10.052 1.00 0.00 C ATOM 805 CG GLU A 53 -2.939 -0.126 10.983 1.00 0.00 C ATOM 806 CD GLU A 53 -3.303 -0.272 12.421 1.00 0.00 C ATOM 807 OE1 GLU A 53 -3.867 0.660 12.982 1.00 0.00 O ATOM 808 OE2 GLU A 53 -3.025 -1.327 12.994 1.00 0.00 O ATOM 0 H GLU A 53 -3.633 1.014 8.143 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.536 -1.488 8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.712 0.300 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.616 -1.339 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.051 -0.724 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.676 0.913 10.785 1.00 0.00 H new ATOM 815 N HIS A 54 -5.496 -1.536 7.452 1.00 0.00 N ATOM 816 CA HIS A 54 -6.448 -2.392 6.724 1.00 0.00 C ATOM 817 C HIS A 54 -5.681 -3.311 5.763 1.00 0.00 C ATOM 818 O HIS A 54 -5.828 -4.537 5.816 1.00 0.00 O ATOM 819 CB HIS A 54 -7.460 -1.538 5.940 1.00 0.00 C ATOM 820 CG HIS A 54 -8.612 -2.309 5.373 1.00 0.00 C ATOM 821 ND1 HIS A 54 -9.609 -1.729 4.617 1.00 0.00 N ATOM 822 CD2 HIS A 54 -8.924 -3.624 5.456 1.00 0.00 C ATOM 823 CE1 HIS A 54 -10.482 -2.657 4.262 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.089 -3.818 4.763 1.00 0.00 N ATOM 0 H HIS A 54 -5.726 -0.543 7.427 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.998 -2.997 7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.848 -0.760 6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.939 -1.035 5.125 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.357 -4.383 5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.367 -2.495 3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.573 -4.709 4.651 1.00 0.00 H new ATOM 833 N ILE A 55 -4.799 -2.710 4.950 1.00 0.00 N ATOM 834 CA ILE A 55 -3.924 -3.453 4.050 1.00 0.00 C ATOM 835 C ILE A 55 -3.103 -4.440 4.870 1.00 0.00 C ATOM 836 O ILE A 55 -3.061 -5.621 4.548 1.00 0.00 O ATOM 837 CB ILE A 55 -2.959 -2.513 3.250 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.732 -1.430 2.501 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.117 -3.307 2.257 1.00 0.00 C ATOM 840 CD1 ILE A 55 -2.859 -0.315 1.967 1.00 0.00 C ATOM 0 H ILE A 55 -4.678 -1.698 4.903 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.549 -3.973 3.324 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.301 -2.038 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.268 -1.888 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.481 -1.004 3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.457 -2.629 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.520 -4.044 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.772 -3.816 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.479 0.416 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.342 0.171 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.126 -0.727 1.273 1.00 0.00 H new ATOM 852 N ALA A 56 -2.498 -3.949 5.972 1.00 0.00 N ATOM 853 CA ALA A 56 -1.732 -4.805 6.888 1.00 0.00 C ATOM 854 C ALA A 56 -2.554 -6.038 7.262 1.00 0.00 C ATOM 855 O ALA A 56 -2.115 -7.175 7.044 1.00 0.00 O ATOM 856 CB ALA A 56 -1.312 -4.028 8.151 1.00 0.00 C ATOM 0 H ALA A 56 -2.528 -2.966 6.244 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.824 -5.128 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.747 -4.685 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.691 -3.179 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.201 -3.670 8.670 1.00 0.00 H new ATOM 862 N SER A 57 -3.772 -5.809 7.778 1.00 0.00 N ATOM 863 CA SER A 57 -4.687 -6.904 8.135 1.00 0.00 C ATOM 864 C SER A 57 -4.975 -7.789 6.919 1.00 0.00 C ATOM 865 O SER A 57 -4.869 -9.018 6.999 1.00 0.00 O ATOM 866 CB SER A 57 -6.008 -6.359 8.709 1.00 0.00 C ATOM 867 OG SER A 57 -5.822 -5.103 9.366 1.00 0.00 O ATOM 0 H SER A 57 -4.145 -4.877 7.957 1.00 0.00 H new ATOM 0 HA SER A 57 -4.198 -7.505 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.734 -6.245 7.904 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.423 -7.080 9.413 1.00 0.00 H new ATOM 0 HG SER A 57 -6.681 -4.787 9.716 1.00 0.00 H new ATOM 873 N PHE A 58 -5.296 -7.158 5.779 1.00 0.00 N ATOM 874 CA PHE A 58 -5.558 -7.896 4.543 1.00 0.00 C ATOM 875 C PHE A 58 -4.364 -8.783 4.208 1.00 0.00 C ATOM 876 O PHE A 58 -4.506 -10.000 4.077 1.00 0.00 O ATOM 877 CB PHE A 58 -5.865 -6.949 3.368 1.00 0.00 C ATOM 878 CG PHE A 58 -6.293 -7.675 2.122 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.397 -8.508 2.141 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.582 -7.542 0.944 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.782 -9.190 1.016 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.969 -8.224 -0.190 1.00 0.00 C ATOM 883 CZ PHE A 58 -7.070 -9.050 -0.150 1.00 0.00 C ATOM 0 H PHE A 58 -5.379 -6.145 5.692 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.439 -8.517 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.651 -6.254 3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.979 -6.353 3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.963 -8.623 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.716 -6.898 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.646 -9.838 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.410 -8.111 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.374 -9.588 -1.036 1.00 0.00 H new ATOM 893 N VAL A 59 -3.179 -8.171 4.161 1.00 0.00 N ATOM 894 CA VAL A 59 -1.935 -8.891 3.937 1.00 0.00 C ATOM 895 C VAL A 59 -1.787 -10.000 4.976 1.00 0.00 C ATOM 896 O VAL A 59 -1.474 -11.129 4.623 1.00 0.00 O ATOM 897 CB VAL A 59 -0.713 -7.926 3.988 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.614 -8.671 3.855 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.837 -6.873 2.899 1.00 0.00 C ATOM 0 H VAL A 59 -3.060 -7.165 4.277 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.965 -9.336 2.942 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.716 -7.442 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.437 -7.958 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.713 -9.387 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.640 -9.201 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.021 -6.203 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.869 -7.360 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.752 -6.301 3.049 1.00 0.00 H new ATOM 909 N MET A 60 -2.069 -9.677 6.253 1.00 0.00 N ATOM 910 CA MET A 60 -2.016 -10.669 7.331 1.00 0.00 C ATOM 911 C MET A 60 -2.802 -11.910 6.932 1.00 0.00 C ATOM 912 O MET A 60 -2.236 -12.985 6.835 1.00 0.00 O ATOM 913 CB MET A 60 -2.561 -10.100 8.656 1.00 0.00 C ATOM 914 CG MET A 60 -1.527 -9.938 9.724 1.00 0.00 C ATOM 915 SD MET A 60 -1.976 -8.711 10.964 1.00 0.00 S ATOM 916 CE MET A 60 -1.788 -7.188 10.050 1.00 0.00 C ATOM 0 H MET A 60 -2.334 -8.740 6.557 1.00 0.00 H new ATOM 0 HA MET A 60 -0.971 -10.935 7.490 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.021 -9.131 8.461 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.348 -10.758 9.025 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.366 -10.898 10.214 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.581 -9.652 9.265 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.095 -6.531 10.576 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.398 -7.406 9.056 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.756 -6.696 9.960 1.00 0.00 H new ATOM 926 N SER A 61 -4.087 -11.733 6.608 1.00 0.00 N ATOM 927 CA SER A 61 -4.923 -12.829 6.141 1.00 0.00 C ATOM 928 C SER A 61 -4.348 -13.418 4.852 1.00 0.00 C ATOM 929 O SER A 61 -4.306 -14.648 4.679 1.00 0.00 O ATOM 930 CB SER A 61 -6.359 -12.340 5.909 1.00 0.00 C ATOM 931 OG SER A 61 -6.659 -11.162 6.689 1.00 0.00 O ATOM 0 H SER A 61 -4.567 -10.835 6.663 1.00 0.00 H new ATOM 0 HA SER A 61 -4.940 -13.607 6.904 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.501 -12.121 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.059 -13.134 6.167 1.00 0.00 H new ATOM 0 HG SER A 61 -7.581 -10.880 6.514 1.00 0.00 H new ATOM 937 N PHE A 62 -3.890 -12.534 3.955 1.00 0.00 N ATOM 938 CA PHE A 62 -3.302 -12.945 2.695 1.00 0.00 C ATOM 939 C PHE A 62 -2.177 -13.945 2.910 1.00 0.00 C ATOM 940 O PHE A 62 -2.279 -15.073 2.442 1.00 0.00 O ATOM 941 CB PHE A 62 -2.813 -11.740 1.887 1.00 0.00 C ATOM 942 CG PHE A 62 -2.976 -11.923 0.405 1.00 0.00 C ATOM 943 CD1 PHE A 62 -1.974 -12.520 -0.344 1.00 0.00 C ATOM 944 CD2 PHE A 62 -4.134 -11.510 -0.239 1.00 0.00 C ATOM 945 CE1 PHE A 62 -2.120 -12.700 -1.701 1.00 0.00 C ATOM 946 CE2 PHE A 62 -4.285 -11.689 -1.600 1.00 0.00 C ATOM 947 CZ PHE A 62 -3.278 -12.284 -2.333 1.00 0.00 C ATOM 0 H PHE A 62 -3.921 -11.524 4.091 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.084 -13.439 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.362 -10.852 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.762 -11.561 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.068 -12.848 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.925 -11.044 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.331 -13.166 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.190 -11.364 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.394 -12.424 -3.398 1.00 0.00 H new ATOM 957 N LYS A 63 -1.130 -13.560 3.662 1.00 0.00 N ATOM 958 CA LYS A 63 -0.007 -14.486 3.935 1.00 0.00 C ATOM 959 C LYS A 63 -0.464 -15.816 4.571 1.00 0.00 C ATOM 960 O LYS A 63 0.174 -16.851 4.369 1.00 0.00 O ATOM 961 CB LYS A 63 1.159 -13.839 4.740 1.00 0.00 C ATOM 962 CG LYS A 63 0.759 -12.831 5.815 1.00 0.00 C ATOM 963 CD LYS A 63 1.292 -11.428 5.519 1.00 0.00 C ATOM 964 CE LYS A 63 2.459 -11.030 6.440 1.00 0.00 C ATOM 965 NZ LYS A 63 3.438 -10.129 5.766 1.00 0.00 N ATOM 0 H LYS A 63 -1.034 -12.637 4.085 1.00 0.00 H new ATOM 0 HA LYS A 63 0.397 -14.723 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.732 -14.636 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.827 -13.342 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.328 -12.796 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.136 -13.165 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.621 -11.380 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.484 -10.705 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.065 -10.534 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.972 -11.930 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.405 -10.461 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.267 -10.136 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.326 -9.161 6.129 1.00 0.00 H new ATOM 979 N ILE A 64 -1.603 -15.805 5.281 1.00 0.00 N ATOM 980 CA ILE A 64 -2.160 -17.035 5.861 1.00 0.00 C ATOM 981 C ILE A 64 -2.723 -17.944 4.757 1.00 0.00 C ATOM 982 O ILE A 64 -2.820 -19.186 4.925 1.00 0.00 O ATOM 983 CB ILE A 64 -3.294 -16.748 6.883 1.00 0.00 C ATOM 984 CG1 ILE A 64 -2.885 -15.644 7.862 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.671 -18.016 7.625 1.00 0.00 C ATOM 986 CD1 ILE A 64 -3.596 -15.691 9.190 1.00 0.00 C ATOM 0 H ILE A 64 -2.152 -14.965 5.466 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.339 -17.528 6.382 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.168 -16.398 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.811 -15.710 8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.073 -14.676 7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.467 -17.798 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.017 -18.765 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.801 -18.398 8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.245 -14.874 9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.670 -15.592 9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.388 -16.642 9.681 1.00 0.00 H new ATOM 998 N LYS A 65 -3.163 -17.348 3.661 1.00 0.00 N ATOM 999 CA LYS A 65 -3.735 -18.086 2.582 1.00 0.00 C ATOM 1000 C LYS A 65 -2.711 -18.294 1.469 1.00 0.00 C ATOM 1001 O LYS A 65 -2.451 -19.433 1.064 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.976 -17.364 2.067 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.197 -17.516 2.975 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.598 -18.981 3.141 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.388 -19.482 4.580 1.00 0.00 C ATOM 1006 NZ LYS A 65 -5.221 -20.412 4.709 1.00 0.00 N ATOM 0 H LYS A 65 -3.127 -16.340 3.509 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.033 -19.071 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.748 -16.304 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.222 -17.745 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.980 -17.085 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.033 -16.955 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.645 -19.103 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.014 -19.595 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.239 -18.627 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.291 -19.991 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.413 -21.108 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.070 -20.907 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.369 -19.868 4.952 1.00 0.00 H new ATOM 1020 N TYR A 66 -2.081 -17.207 1.048 1.00 0.00 N ATOM 1021 CA TYR A 66 -1.034 -17.232 0.033 1.00 0.00 C ATOM 1022 C TYR A 66 0.300 -16.716 0.624 1.00 0.00 C ATOM 1023 O TYR A 66 0.741 -15.618 0.306 1.00 0.00 O ATOM 1024 CB TYR A 66 -1.451 -16.382 -1.188 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.776 -16.800 -2.474 1.00 0.00 C ATOM 1026 CD1 TYR A 66 0.495 -16.346 -2.787 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -1.403 -17.655 -3.367 1.00 0.00 C ATOM 1028 CE1 TYR A 66 1.122 -16.729 -3.950 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -0.779 -18.047 -4.533 1.00 0.00 C ATOM 1030 CZ TYR A 66 0.487 -17.578 -4.819 1.00 0.00 C ATOM 1031 OH TYR A 66 1.128 -17.970 -5.975 1.00 0.00 O ATOM 0 H TYR A 66 -2.283 -16.273 1.404 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.890 -18.261 -0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.531 -16.450 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.219 -15.336 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.003 -15.679 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.395 -18.020 -3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.112 -16.362 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.278 -18.717 -5.218 1.00 0.00 H new ATOM 0 HH TYR A 66 0.546 -18.573 -6.483 1.00 0.00 H new ATOM 1041 N PRO A 67 0.973 -17.533 1.484 1.00 0.00 N ATOM 1042 CA PRO A 67 2.274 -17.160 2.117 1.00 0.00 C ATOM 1043 C PRO A 67 3.421 -16.946 1.102 1.00 0.00 C ATOM 1044 O PRO A 67 4.479 -16.384 1.452 1.00 0.00 O ATOM 1045 CB PRO A 67 2.576 -18.357 3.021 1.00 0.00 C ATOM 1046 CG PRO A 67 1.821 -19.478 2.397 1.00 0.00 C ATOM 1047 CD PRO A 67 0.544 -18.879 1.909 1.00 0.00 C ATOM 0 HA PRO A 67 2.201 -16.206 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.645 -18.568 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.249 -18.177 4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.385 -19.921 1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.631 -20.272 3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.116 -19.449 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.212 -18.837 2.693 1.00 0.00 H new ATOM 1055 N ASP A 68 3.198 -17.340 -0.164 1.00 0.00 N ATOM 1056 CA ASP A 68 4.186 -17.127 -1.243 1.00 0.00 C ATOM 1057 C ASP A 68 4.312 -15.638 -1.622 1.00 0.00 C ATOM 1058 O ASP A 68 5.107 -15.273 -2.508 1.00 0.00 O ATOM 1059 CB ASP A 68 3.799 -17.930 -2.474 1.00 0.00 C ATOM 1060 CG ASP A 68 4.970 -18.429 -3.265 1.00 0.00 C ATOM 1061 OD1 ASP A 68 5.962 -18.871 -2.670 1.00 0.00 O ATOM 1062 OD2 ASP A 68 4.892 -18.397 -4.490 1.00 0.00 O ATOM 0 H ASP A 68 2.344 -17.808 -0.468 1.00 0.00 H new ATOM 0 HA ASP A 68 5.153 -17.464 -0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.192 -18.781 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.175 -17.311 -3.118 1.00 0.00 H new ATOM 1067 N ASP A 69 3.546 -14.789 -0.939 1.00 0.00 N ATOM 1068 CA ASP A 69 3.565 -13.351 -1.122 1.00 0.00 C ATOM 1069 C ASP A 69 4.721 -12.691 -0.369 1.00 0.00 C ATOM 1070 O ASP A 69 4.790 -11.476 -0.308 1.00 0.00 O ATOM 1071 CB ASP A 69 2.252 -12.770 -0.612 1.00 0.00 C ATOM 1072 CG ASP A 69 2.233 -12.512 0.895 1.00 0.00 C ATOM 1073 OD1 ASP A 69 2.424 -13.469 1.665 1.00 0.00 O ATOM 1074 OD2 ASP A 69 2.054 -11.352 1.303 1.00 0.00 O ATOM 0 H ASP A 69 2.882 -15.096 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 69 3.698 -13.151 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.053 -11.834 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.441 -13.454 -0.864 1.00 0.00 H new ATOM 1079 N GLY A 70 5.566 -13.488 0.262 1.00 0.00 N ATOM 1080 CA GLY A 70 6.646 -12.978 1.090 1.00 0.00 C ATOM 1081 C GLY A 70 7.338 -11.724 0.557 1.00 0.00 C ATOM 1082 O GLY A 70 7.622 -10.803 1.338 1.00 0.00 O ATOM 0 H GLY A 70 5.523 -14.506 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.250 -12.761 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.393 -13.763 1.209 1.00 0.00 H new ATOM 1086 N ASP A 71 7.529 -11.631 -0.769 1.00 0.00 N ATOM 1087 CA ASP A 71 8.128 -10.421 -1.381 1.00 0.00 C ATOM 1088 C ASP A 71 7.094 -9.316 -1.511 1.00 0.00 C ATOM 1089 O ASP A 71 7.336 -8.182 -1.093 1.00 0.00 O ATOM 1090 CB ASP A 71 8.751 -10.711 -2.748 1.00 0.00 C ATOM 1091 CG ASP A 71 9.788 -9.699 -3.095 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.914 -9.790 -2.586 1.00 0.00 O ATOM 1093 OD2 ASP A 71 9.488 -8.800 -3.868 1.00 0.00 O ATOM 0 H ASP A 71 7.283 -12.364 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 71 8.926 -10.093 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.197 -11.705 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.973 -10.714 -3.511 1.00 0.00 H new ATOM 1098 N LEU A 72 5.908 -9.668 -2.010 1.00 0.00 N ATOM 1099 CA LEU A 72 4.791 -8.723 -2.077 1.00 0.00 C ATOM 1100 C LEU A 72 4.526 -8.164 -0.680 1.00 0.00 C ATOM 1101 O LEU A 72 4.437 -6.957 -0.504 1.00 0.00 O ATOM 1102 CB LEU A 72 3.523 -9.404 -2.602 1.00 0.00 C ATOM 1103 CG LEU A 72 2.481 -8.469 -3.225 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.951 -7.946 -4.571 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.143 -9.172 -3.357 1.00 0.00 C ATOM 0 H LEU A 72 5.696 -10.597 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 72 5.056 -7.919 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.812 -10.145 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.055 -9.944 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 72 2.355 -7.614 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.192 -7.285 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.882 -7.394 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.117 -8.783 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.417 -8.491 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.254 -10.050 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.795 -9.480 -2.371 1.00 0.00 H new ATOM 1117 N SER A 73 4.506 -9.063 0.311 1.00 0.00 N ATOM 1118 CA SER A 73 4.354 -8.704 1.717 1.00 0.00 C ATOM 1119 C SER A 73 5.427 -7.707 2.075 1.00 0.00 C ATOM 1120 O SER A 73 5.133 -6.590 2.445 1.00 0.00 O ATOM 1121 CB SER A 73 4.483 -9.954 2.612 1.00 0.00 C ATOM 1122 OG SER A 73 3.267 -10.228 3.308 1.00 0.00 O ATOM 0 H SER A 73 4.596 -10.067 0.153 1.00 0.00 H new ATOM 0 HA SER A 73 3.367 -8.270 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.755 -10.814 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.289 -9.806 3.331 1.00 0.00 H new ATOM 0 HG SER A 73 2.749 -10.896 2.812 1.00 0.00 H new ATOM 1128 N GLU A 74 6.676 -8.110 1.853 1.00 0.00 N ATOM 1129 CA GLU A 74 7.840 -7.289 2.047 1.00 0.00 C ATOM 1130 C GLU A 74 7.621 -5.871 1.487 1.00 0.00 C ATOM 1131 O GLU A 74 7.918 -4.858 2.156 1.00 0.00 O ATOM 1132 CB GLU A 74 8.992 -7.973 1.321 1.00 0.00 C ATOM 1133 CG GLU A 74 10.334 -7.625 1.824 1.00 0.00 C ATOM 1134 CD GLU A 74 11.129 -8.822 2.187 1.00 0.00 C ATOM 1135 OE1 GLU A 74 11.770 -9.392 1.309 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.096 -9.213 3.353 1.00 0.00 O ATOM 0 H GLU A 74 6.899 -9.049 1.523 1.00 0.00 H new ATOM 0 HA GLU A 74 8.054 -7.181 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.860 -9.052 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.939 -7.718 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.867 -7.055 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.236 -6.979 2.696 1.00 0.00 H new ATOM 1143 N LEU A 75 7.093 -5.808 0.276 1.00 0.00 N ATOM 1144 CA LEU A 75 6.810 -4.546 -0.376 1.00 0.00 C ATOM 1145 C LEU A 75 5.642 -3.845 0.295 1.00 0.00 C ATOM 1146 O LEU A 75 5.729 -2.660 0.627 1.00 0.00 O ATOM 1147 CB LEU A 75 6.502 -4.760 -1.858 1.00 0.00 C ATOM 1148 CG LEU A 75 7.127 -3.759 -2.833 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.175 -2.342 -2.257 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.500 -4.215 -3.218 1.00 0.00 C ATOM 0 H LEU A 75 6.850 -6.629 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 75 7.696 -3.918 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.834 -5.760 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.420 -4.736 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 75 6.494 -3.721 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.626 -1.668 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.163 -2.007 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.770 -2.340 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.940 -3.499 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.123 -4.286 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.438 -5.193 -3.696 1.00 0.00 H new ATOM 1162 N VAL A 76 4.554 -4.577 0.504 1.00 0.00 N ATOM 1163 CA VAL A 76 3.374 -4.023 1.149 1.00 0.00 C ATOM 1164 C VAL A 76 3.736 -3.474 2.524 1.00 0.00 C ATOM 1165 O VAL A 76 3.437 -2.326 2.814 1.00 0.00 O ATOM 1166 CB VAL A 76 2.200 -5.051 1.265 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.950 -4.382 1.830 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.886 -5.684 -0.093 1.00 0.00 C ATOM 0 H VAL A 76 4.466 -5.557 0.235 1.00 0.00 H new ATOM 0 HA VAL A 76 3.017 -3.213 0.512 1.00 0.00 H new ATOM 0 HB VAL A 76 2.517 -5.839 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.146 -5.115 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.167 -3.983 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.643 -3.570 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.066 -6.394 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.599 -4.905 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.769 -6.204 -0.465 1.00 0.00 H new ATOM 1178 N GLU A 77 4.446 -4.277 3.332 1.00 0.00 N ATOM 1179 CA GLU A 77 4.899 -3.838 4.654 1.00 0.00 C ATOM 1180 C GLU A 77 5.671 -2.519 4.532 1.00 0.00 C ATOM 1181 O GLU A 77 5.310 -1.534 5.173 1.00 0.00 O ATOM 1182 CB GLU A 77 5.748 -4.925 5.359 1.00 0.00 C ATOM 1183 CG GLU A 77 5.129 -6.346 5.323 1.00 0.00 C ATOM 1184 CD GLU A 77 4.991 -7.000 6.673 1.00 0.00 C ATOM 1185 OE1 GLU A 77 5.865 -6.804 7.534 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.010 -7.724 6.876 1.00 0.00 O ATOM 0 H GLU A 77 4.716 -5.230 3.091 1.00 0.00 H new ATOM 0 HA GLU A 77 4.021 -3.671 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.732 -4.959 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.898 -4.634 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.145 -6.288 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.745 -6.981 4.687 1.00 0.00 H new ATOM 1193 N GLU A 78 6.659 -2.474 3.606 1.00 0.00 N ATOM 1194 CA GLU A 78 7.388 -1.222 3.321 1.00 0.00 C ATOM 1195 C GLU A 78 6.402 -0.122 2.941 1.00 0.00 C ATOM 1196 O GLU A 78 6.474 0.975 3.469 1.00 0.00 O ATOM 1197 CB GLU A 78 8.419 -1.402 2.193 1.00 0.00 C ATOM 1198 CG GLU A 78 9.862 -1.289 2.652 1.00 0.00 C ATOM 1199 CD GLU A 78 10.416 0.098 2.534 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.602 0.566 1.413 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.685 0.717 3.571 1.00 0.00 O ATOM 0 H GLU A 78 6.963 -3.276 3.054 1.00 0.00 H new ATOM 0 HA GLU A 78 7.927 -0.942 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.271 -2.378 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.234 -0.654 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.932 -1.613 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.477 -1.970 2.063 1.00 0.00 H new ATOM 1208 N TYR A 79 5.484 -0.437 2.023 1.00 0.00 N ATOM 1209 CA TYR A 79 4.463 0.511 1.575 1.00 0.00 C ATOM 1210 C TYR A 79 3.648 1.032 2.764 1.00 0.00 C ATOM 1211 O TYR A 79 3.540 2.245 2.962 1.00 0.00 O ATOM 1212 CB TYR A 79 3.539 -0.141 0.528 1.00 0.00 C ATOM 1213 CG TYR A 79 2.565 0.811 -0.131 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.011 1.882 -0.897 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.196 0.633 0.010 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.122 2.744 -1.498 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.302 1.491 -0.588 1.00 0.00 C ATOM 1218 CZ TYR A 79 0.769 2.546 -1.343 1.00 0.00 C ATOM 1219 OH TYR A 79 -0.116 3.403 -1.937 1.00 0.00 O ATOM 0 H TYR A 79 5.428 -1.350 1.573 1.00 0.00 H new ATOM 0 HA TYR A 79 4.966 1.358 1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.155 -0.602 -0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.976 -0.942 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.072 2.040 -1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.826 -0.193 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.485 3.572 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.760 1.339 -0.467 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.609 2.929 -2.639 1.00 0.00 H new ATOM 1229 N LEU A 80 3.091 0.121 3.566 1.00 0.00 N ATOM 1230 CA LEU A 80 2.314 0.501 4.751 1.00 0.00 C ATOM 1231 C LEU A 80 3.165 1.341 5.677 1.00 0.00 C ATOM 1232 O LEU A 80 2.796 2.473 6.025 1.00 0.00 O ATOM 1233 CB LEU A 80 1.822 -0.751 5.494 1.00 0.00 C ATOM 1234 CG LEU A 80 1.085 -1.784 4.643 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.464 -2.840 5.503 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.049 -1.119 3.767 1.00 0.00 C ATOM 0 H LEU A 80 3.163 -0.886 3.417 1.00 0.00 H new ATOM 0 HA LEU A 80 1.449 1.081 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.681 -1.236 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.161 -0.435 6.301 1.00 0.00 H new ATOM 0 HG LEU A 80 1.814 -2.268 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.055 -3.563 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.241 -3.348 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.248 -2.379 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.462 -1.875 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.676 -0.598 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.537 -0.404 3.105 1.00 0.00 H new ATOM 1248 N ASP A 81 4.329 0.798 6.027 1.00 0.00 N ATOM 1249 CA ASP A 81 5.297 1.463 6.889 1.00 0.00 C ATOM 1250 C ASP A 81 5.639 2.843 6.362 1.00 0.00 C ATOM 1251 O ASP A 81 5.648 3.821 7.115 1.00 0.00 O ATOM 1252 CB ASP A 81 6.576 0.632 6.976 1.00 0.00 C ATOM 1253 CG ASP A 81 7.242 0.737 8.297 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.844 1.767 8.585 1.00 0.00 O ATOM 1255 OD2 ASP A 81 7.143 -0.213 9.075 1.00 0.00 O ATOM 0 H ASP A 81 4.628 -0.126 5.715 1.00 0.00 H new ATOM 0 HA ASP A 81 4.850 1.564 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.339 -0.413 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.268 0.956 6.199 1.00 0.00 H new ATOM 1260 N ASP A 82 5.966 2.914 5.077 1.00 0.00 N ATOM 1261 CA ASP A 82 6.366 4.167 4.426 1.00 0.00 C ATOM 1262 C ASP A 82 5.256 5.186 4.455 1.00 0.00 C ATOM 1263 O ASP A 82 5.397 6.259 5.059 1.00 0.00 O ATOM 1264 CB ASP A 82 6.806 3.934 2.967 1.00 0.00 C ATOM 1265 CG ASP A 82 7.805 4.945 2.484 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.093 5.916 3.208 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.354 4.741 1.396 1.00 0.00 O ATOM 0 H ASP A 82 5.963 2.108 4.452 1.00 0.00 H new ATOM 0 HA ASP A 82 7.214 4.552 4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.236 2.936 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.929 3.961 2.321 1.00 0.00 H new ATOM 1272 N THR A 83 4.134 4.849 3.829 1.00 0.00 N ATOM 1273 CA THR A 83 2.982 5.739 3.811 1.00 0.00 C ATOM 1274 C THR A 83 2.620 6.161 5.238 1.00 0.00 C ATOM 1275 O THR A 83 2.397 7.356 5.507 1.00 0.00 O ATOM 1276 CB THR A 83 1.784 5.095 3.102 1.00 0.00 C ATOM 1277 OG1 THR A 83 2.208 4.142 2.119 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.910 6.108 2.402 1.00 0.00 C ATOM 0 H THR A 83 3.999 3.970 3.330 1.00 0.00 H new ATOM 0 HA THR A 83 3.249 6.630 3.243 1.00 0.00 H new ATOM 0 HB THR A 83 1.212 4.606 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.360 3.275 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.078 5.597 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.524 6.821 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.497 6.638 1.652 1.00 0.00 H new ATOM 1286 N TYR A 84 2.657 5.197 6.171 1.00 0.00 N ATOM 1287 CA TYR A 84 2.436 5.492 7.572 1.00 0.00 C ATOM 1288 C TYR A 84 3.493 6.497 8.046 1.00 0.00 C ATOM 1289 O TYR A 84 3.148 7.552 8.551 1.00 0.00 O ATOM 1290 CB TYR A 84 2.475 4.203 8.422 1.00 0.00 C ATOM 1291 CG TYR A 84 2.640 4.453 9.896 1.00 0.00 C ATOM 1292 CD1 TYR A 84 1.567 4.837 10.679 1.00 0.00 C ATOM 1293 CD2 TYR A 84 3.876 4.322 10.497 1.00 0.00 C ATOM 1294 CE1 TYR A 84 1.725 5.081 12.022 1.00 0.00 C ATOM 1295 CE2 TYR A 84 4.046 4.564 11.835 1.00 0.00 C ATOM 1296 CZ TYR A 84 2.968 4.946 12.597 1.00 0.00 C ATOM 1297 OH TYR A 84 3.126 5.187 13.943 1.00 0.00 O ATOM 0 H TYR A 84 2.838 4.214 5.969 1.00 0.00 H new ATOM 0 HA TYR A 84 1.445 5.930 7.695 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.554 3.643 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.296 3.575 8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.591 4.947 10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.726 4.023 9.901 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.878 5.377 12.623 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.021 4.455 12.288 1.00 0.00 H new ATOM 0 HH TYR A 84 4.063 5.047 14.193 1.00 0.00 H new ATOM 1307 N THR A 85 4.771 6.187 7.804 1.00 0.00 N ATOM 1308 CA THR A 85 5.881 7.090 8.157 1.00 0.00 C ATOM 1309 C THR A 85 5.557 8.537 7.721 1.00 0.00 C ATOM 1310 O THR A 85 5.734 9.475 8.497 1.00 0.00 O ATOM 1311 CB THR A 85 7.212 6.614 7.501 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.542 5.268 7.873 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.408 7.471 7.854 1.00 0.00 C ATOM 0 H THR A 85 5.067 5.316 7.364 1.00 0.00 H new ATOM 0 HA THR A 85 6.006 7.069 9.240 1.00 0.00 H new ATOM 0 HB THR A 85 7.017 6.692 6.431 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.012 4.641 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.296 7.077 7.360 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.233 8.495 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.558 7.460 8.934 1.00 0.00 H new ATOM 1321 N LEU A 86 5.071 8.698 6.491 1.00 0.00 N ATOM 1322 CA LEU A 86 4.725 10.016 5.957 1.00 0.00 C ATOM 1323 C LEU A 86 3.539 10.628 6.688 1.00 0.00 C ATOM 1324 O LEU A 86 3.666 11.665 7.341 1.00 0.00 O ATOM 1325 CB LEU A 86 4.354 9.896 4.479 1.00 0.00 C ATOM 1326 CG LEU A 86 5.389 10.364 3.423 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.471 11.238 4.029 1.00 0.00 C ATOM 1328 CD2 LEU A 86 6.004 9.191 2.689 1.00 0.00 C ATOM 0 H LEU A 86 4.907 7.928 5.842 1.00 0.00 H new ATOM 0 HA LEU A 86 5.597 10.656 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.123 8.850 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.436 10.462 4.319 1.00 0.00 H new ATOM 0 HG LEU A 86 4.841 10.970 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.172 11.541 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.017 12.124 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.002 10.678 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.724 9.557 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.510 8.540 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.221 8.630 2.179 1.00 0.00 H new ATOM 1340 N PHE A 87 2.369 10.019 6.495 1.00 0.00 N ATOM 1341 CA PHE A 87 1.115 10.542 7.035 1.00 0.00 C ATOM 1342 C PHE A 87 1.085 10.571 8.544 1.00 0.00 C ATOM 1343 O PHE A 87 0.384 11.393 9.126 1.00 0.00 O ATOM 1344 CB PHE A 87 -0.089 9.785 6.471 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.240 9.996 4.994 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.681 11.210 4.502 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.093 8.997 4.098 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.792 11.419 3.152 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.016 9.206 2.741 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.460 10.417 2.271 1.00 0.00 C ATOM 0 H PHE A 87 2.264 9.155 5.963 1.00 0.00 H new ATOM 0 HA PHE A 87 1.052 11.580 6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.023 8.720 6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.995 10.114 6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.941 12.002 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.442 8.043 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.140 12.371 2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.247 8.420 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.549 10.583 1.208 1.00 0.00 H new ATOM 1360 N SER A 88 1.868 9.720 9.183 1.00 0.00 N ATOM 1361 CA SER A 88 1.914 9.723 10.631 1.00 0.00 C ATOM 1362 C SER A 88 3.079 10.584 11.185 1.00 0.00 C ATOM 1363 O SER A 88 3.359 10.549 12.394 1.00 0.00 O ATOM 1364 CB SER A 88 1.941 8.297 11.180 1.00 0.00 C ATOM 1365 OG SER A 88 0.621 7.855 11.563 1.00 0.00 O ATOM 0 H SER A 88 2.469 9.031 8.731 1.00 0.00 H new ATOM 0 HA SER A 88 0.997 10.196 10.983 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.348 7.623 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.607 8.250 12.042 1.00 0.00 H new ATOM 0 HG SER A 88 0.314 7.163 10.940 1.00 0.00 H new ATOM 1371 N SER A 89 3.695 11.416 10.336 1.00 0.00 N ATOM 1372 CA SER A 89 4.736 12.344 10.782 1.00 0.00 C ATOM 1373 C SER A 89 4.132 13.744 10.948 1.00 0.00 C ATOM 1374 O SER A 89 3.000 13.983 10.522 1.00 0.00 O ATOM 1375 CB SER A 89 5.895 12.384 9.762 1.00 0.00 C ATOM 1376 OG SER A 89 6.733 11.223 9.874 1.00 0.00 O ATOM 0 H SER A 89 3.489 11.464 9.338 1.00 0.00 H new ATOM 0 HA SER A 89 5.132 12.004 11.739 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.490 12.446 8.752 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.492 13.282 9.922 1.00 0.00 H new ATOM 0 HG SER A 89 6.682 10.702 9.046 1.00 0.00 H new ATOM 1382 N TYR A 90 4.912 14.677 11.532 1.00 0.00 N ATOM 1383 CA TYR A 90 4.482 16.096 11.700 1.00 0.00 C ATOM 1384 C TYR A 90 3.804 16.605 10.415 1.00 0.00 C ATOM 1385 O TYR A 90 2.757 17.270 10.458 1.00 0.00 O ATOM 1386 CB TYR A 90 5.703 16.981 11.999 1.00 0.00 C ATOM 1387 CG TYR A 90 5.493 17.987 13.095 1.00 0.00 C ATOM 1388 CD1 TYR A 90 4.658 19.077 12.913 1.00 0.00 C ATOM 1389 CD2 TYR A 90 6.138 17.854 14.311 1.00 0.00 C ATOM 1390 CE1 TYR A 90 4.474 19.999 13.909 1.00 0.00 C ATOM 1391 CE2 TYR A 90 5.956 18.775 15.313 1.00 0.00 C ATOM 1392 CZ TYR A 90 5.127 19.844 15.109 1.00 0.00 C ATOM 1393 OH TYR A 90 4.941 20.758 16.115 1.00 0.00 O ATOM 0 H TYR A 90 5.844 14.481 11.898 1.00 0.00 H new ATOM 0 HA TYR A 90 3.775 16.145 12.529 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.543 16.340 12.268 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.984 17.509 11.088 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.144 19.202 11.971 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.795 17.013 14.475 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.819 20.844 13.753 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.465 18.656 16.258 1.00 0.00 H new ATOM 0 HH TYR A 90 5.475 20.499 16.895 1.00 0.00 H new ATOM 1403 N GLY A 91 4.419 16.264 9.290 1.00 0.00 N ATOM 1404 CA GLY A 91 3.930 16.613 7.981 1.00 0.00 C ATOM 1405 C GLY A 91 4.620 15.760 6.941 1.00 0.00 C ATOM 1406 O GLY A 91 5.581 15.041 7.277 1.00 0.00 O ATOM 0 H GLY A 91 5.286 15.728 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.851 16.463 7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.115 17.669 7.782 1.00 0.00 H new ATOM 1410 N ILE A 92 4.174 15.817 5.691 1.00 0.00 N ATOM 1411 CA ILE A 92 4.814 15.023 4.656 1.00 0.00 C ATOM 1412 C ILE A 92 6.204 15.564 4.356 1.00 0.00 C ATOM 1413 O ILE A 92 6.367 16.765 4.080 1.00 0.00 O ATOM 1414 CB ILE A 92 3.991 14.936 3.351 1.00 0.00 C ATOM 1415 CG1 ILE A 92 2.535 14.582 3.649 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.593 13.882 2.438 1.00 0.00 C ATOM 1417 CD1 ILE A 92 2.358 13.421 4.613 1.00 0.00 C ATOM 0 H ILE A 92 3.391 16.391 5.377 1.00 0.00 H new ATOM 0 HA ILE A 92 4.885 14.009 5.051 1.00 0.00 H new ATOM 0 HB ILE A 92 4.018 15.909 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.037 15.460 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.033 14.341 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.011 13.822 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.622 14.152 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.579 12.915 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.295 13.237 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.824 12.528 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.828 13.664 5.566 1.00 0.00 H new ATOM 1429 N ASN A 93 7.194 14.689 4.437 1.00 0.00 N ATOM 1430 CA ASN A 93 8.588 15.068 4.217 1.00 0.00 C ATOM 1431 C ASN A 93 9.097 14.506 2.914 1.00 0.00 C ATOM 1432 O ASN A 93 8.812 13.346 2.565 1.00 0.00 O ATOM 1433 CB ASN A 93 9.477 14.611 5.380 1.00 0.00 C ATOM 1434 CG ASN A 93 8.807 14.839 6.716 1.00 0.00 C ATOM 1435 OD1 ASN A 93 8.635 15.985 7.149 1.00 0.00 O ATOM 1436 ND2 ASN A 93 8.420 13.775 7.378 1.00 0.00 N ATOM 0 H ASN A 93 7.060 13.702 4.655 1.00 0.00 H new ATOM 0 HA ASN A 93 8.631 16.156 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.711 13.553 5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.423 15.152 5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.960 13.877 8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.579 12.846 6.988 1.00 0.00 H new ATOM 1443 N ASP A 94 9.816 15.346 2.175 1.00 0.00 N ATOM 1444 CA ASP A 94 10.355 15.000 0.854 1.00 0.00 C ATOM 1445 C ASP A 94 11.134 13.688 0.846 1.00 0.00 C ATOM 1446 O ASP A 94 10.854 12.826 0.026 1.00 0.00 O ATOM 1447 CB ASP A 94 11.248 16.121 0.315 1.00 0.00 C ATOM 1448 CG ASP A 94 11.079 16.320 -1.143 1.00 0.00 C ATOM 1449 OD1 ASP A 94 10.120 16.977 -1.531 1.00 0.00 O ATOM 1450 OD2 ASP A 94 11.913 15.847 -1.908 1.00 0.00 O ATOM 0 H ASP A 94 10.045 16.294 2.474 1.00 0.00 H new ATOM 0 HA ASP A 94 9.488 14.871 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.016 17.050 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.291 15.887 0.529 1.00 0.00 H new ATOM 1455 N PRO A 95 12.163 13.531 1.734 1.00 0.00 N ATOM 1456 CA PRO A 95 13.018 12.329 1.758 1.00 0.00 C ATOM 1457 C PRO A 95 12.220 11.017 1.727 1.00 0.00 C ATOM 1458 O PRO A 95 12.457 10.155 0.852 1.00 0.00 O ATOM 1459 CB PRO A 95 13.799 12.474 3.062 1.00 0.00 C ATOM 1460 CG PRO A 95 13.860 13.942 3.309 1.00 0.00 C ATOM 1461 CD PRO A 95 12.586 14.519 2.758 1.00 0.00 C ATOM 0 HA PRO A 95 13.653 12.269 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.301 11.956 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.798 12.046 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.953 14.153 4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.729 14.382 2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.831 14.637 3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.749 15.504 2.320 1.00 0.00 H new ATOM 1469 N GLU A 96 11.268 10.877 2.652 1.00 0.00 N ATOM 1470 CA GLU A 96 10.417 9.707 2.715 1.00 0.00 C ATOM 1471 C GLU A 96 9.512 9.658 1.498 1.00 0.00 C ATOM 1472 O GLU A 96 9.435 8.640 0.826 1.00 0.00 O ATOM 1473 CB GLU A 96 9.573 9.726 3.985 1.00 0.00 C ATOM 1474 CG GLU A 96 10.367 9.754 5.279 1.00 0.00 C ATOM 1475 CD GLU A 96 10.519 11.137 5.803 1.00 0.00 C ATOM 1476 OE1 GLU A 96 11.392 11.857 5.307 1.00 0.00 O ATOM 1477 OE2 GLU A 96 9.763 11.512 6.689 1.00 0.00 O ATOM 0 H GLU A 96 11.073 11.573 3.371 1.00 0.00 H new ATOM 0 HA GLU A 96 11.050 8.820 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.920 10.598 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.929 8.846 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.868 9.135 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.352 9.319 5.111 1.00 0.00 H new ATOM 1484 N LEU A 97 8.842 10.782 1.201 1.00 0.00 N ATOM 1485 CA LEU A 97 7.958 10.856 0.039 1.00 0.00 C ATOM 1486 C LEU A 97 8.686 10.415 -1.224 1.00 0.00 C ATOM 1487 O LEU A 97 8.178 9.579 -1.984 1.00 0.00 O ATOM 1488 CB LEU A 97 7.395 12.260 -0.141 1.00 0.00 C ATOM 1489 CG LEU A 97 6.596 12.488 -1.425 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.303 11.688 -1.420 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.317 13.947 -1.604 1.00 0.00 C ATOM 0 H LEU A 97 8.898 11.642 1.747 1.00 0.00 H new ATOM 0 HA LEU A 97 7.125 10.176 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.754 12.488 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.222 12.970 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 97 7.195 12.139 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.758 11.872 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.533 10.626 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.690 11.992 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.748 14.099 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.741 14.314 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.259 14.492 -1.667 1.00 0.00 H new ATOM 1503 N GLN A 98 9.884 10.967 -1.451 1.00 0.00 N ATOM 1504 CA GLN A 98 10.668 10.587 -2.605 1.00 0.00 C ATOM 1505 C GLN A 98 10.923 9.087 -2.594 1.00 0.00 C ATOM 1506 O GLN A 98 10.697 8.411 -3.599 1.00 0.00 O ATOM 1507 CB GLN A 98 11.964 11.397 -2.690 1.00 0.00 C ATOM 1508 CG GLN A 98 11.716 12.891 -2.868 1.00 0.00 C ATOM 1509 CD GLN A 98 10.500 13.183 -3.690 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.409 12.784 -4.855 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.560 13.852 -3.120 1.00 0.00 N ATOM 0 H GLN A 98 10.317 11.669 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 98 10.101 10.820 -3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.548 11.236 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.562 11.031 -3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.607 13.356 -1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.587 13.345 -3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.670 14.166 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.705 14.069 -3.633 1.00 0.00 H new ATOM 1520 N ARG A 99 11.266 8.548 -1.406 1.00 0.00 N ATOM 1521 CA ARG A 99 11.391 7.107 -1.227 1.00 0.00 C ATOM 1522 C ARG A 99 10.076 6.420 -1.606 1.00 0.00 C ATOM 1523 O ARG A 99 10.073 5.474 -2.385 1.00 0.00 O ATOM 1524 CB ARG A 99 11.718 6.770 0.208 1.00 0.00 C ATOM 1525 CG ARG A 99 12.867 5.795 0.337 1.00 0.00 C ATOM 1526 CD ARG A 99 13.555 5.921 1.687 1.00 0.00 C ATOM 1527 NE ARG A 99 12.638 6.311 2.803 1.00 0.00 N ATOM 1528 CZ ARG A 99 11.385 5.817 3.002 1.00 0.00 C ATOM 1529 NH1 ARG A 99 10.998 4.700 2.371 1.00 0.00 N ATOM 1530 NH2 ARG A 99 10.580 6.389 3.887 1.00 0.00 N ATOM 0 H ARG A 99 11.458 9.095 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 99 12.198 6.756 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.964 7.687 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.835 6.348 0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.498 4.777 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.589 5.975 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.026 4.970 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.352 6.661 1.610 1.00 0.00 H new ATOM 0 HE ARG A 99 12.980 7.004 3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.642 4.220 1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.059 4.329 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.900 7.199 4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.641 6.019 4.036 1.00 0.00 H new ATOM 1544 N TRP A 100 8.959 6.941 -1.066 1.00 0.00 N ATOM 1545 CA TRP A 100 7.609 6.427 -1.346 1.00 0.00 C ATOM 1546 C TRP A 100 7.403 6.266 -2.840 1.00 0.00 C ATOM 1547 O TRP A 100 6.942 5.217 -3.299 1.00 0.00 O ATOM 1548 CB TRP A 100 6.532 7.368 -0.774 1.00 0.00 C ATOM 1549 CG TRP A 100 5.253 6.674 -0.437 1.00 0.00 C ATOM 1550 CD1 TRP A 100 5.074 5.740 0.528 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.970 6.854 -1.061 1.00 0.00 C ATOM 1552 NE1 TRP A 100 3.770 5.328 0.544 1.00 0.00 N ATOM 1553 CE2 TRP A 100 3.077 5.991 -0.410 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.488 7.658 -2.098 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.737 5.900 -0.756 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.145 7.568 -2.440 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.287 6.687 -1.761 1.00 0.00 C ATOM 0 H TRP A 100 8.969 7.732 -0.422 1.00 0.00 H new ATOM 0 HA TRP A 100 7.515 5.454 -0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.921 7.851 0.122 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.328 8.157 -1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 100 5.847 5.375 1.188 1.00 0.00 H new ATOM 0 HE1 TRP A 100 3.381 4.629 1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.146 8.335 -2.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.073 5.222 -0.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.755 8.183 -3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.247 6.637 -2.047 1.00 0.00 H new ATOM 1568 N GLN A 101 7.802 7.297 -3.603 1.00 0.00 N ATOM 1569 CA GLN A 101 7.726 7.263 -5.073 1.00 0.00 C ATOM 1570 C GLN A 101 8.354 5.958 -5.612 1.00 0.00 C ATOM 1571 O GLN A 101 7.827 5.345 -6.541 1.00 0.00 O ATOM 1572 CB GLN A 101 8.426 8.488 -5.687 1.00 0.00 C ATOM 1573 CG GLN A 101 8.116 9.815 -4.990 1.00 0.00 C ATOM 1574 CD GLN A 101 7.840 10.932 -5.950 1.00 0.00 C ATOM 1575 OE1 GLN A 101 8.327 10.931 -7.088 1.00 0.00 O ATOM 1576 NE2 GLN A 101 7.073 11.887 -5.517 1.00 0.00 N ATOM 0 H GLN A 101 8.181 8.165 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 101 6.675 7.292 -5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.503 8.324 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.138 8.567 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.253 9.683 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.957 10.090 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.693 11.847 -4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.851 12.677 -6.123 1.00 0.00 H new ATOM 1585 N LYS A 102 9.432 5.516 -4.972 1.00 0.00 N ATOM 1586 CA LYS A 102 10.088 4.254 -5.304 1.00 0.00 C ATOM 1587 C LYS A 102 9.300 3.086 -4.704 1.00 0.00 C ATOM 1588 O LYS A 102 8.951 2.136 -5.413 1.00 0.00 O ATOM 1589 CB LYS A 102 11.524 4.243 -4.770 1.00 0.00 C ATOM 1590 CG LYS A 102 12.317 5.479 -5.131 1.00 0.00 C ATOM 1591 CD LYS A 102 13.366 5.796 -4.090 1.00 0.00 C ATOM 1592 CE LYS A 102 13.579 7.294 -4.002 1.00 0.00 C ATOM 1593 NZ LYS A 102 14.798 7.664 -3.241 1.00 0.00 N ATOM 0 H LYS A 102 9.877 6.023 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 102 10.118 4.148 -6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.498 4.143 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.040 3.365 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.797 5.333 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.641 6.327 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.055 5.408 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.304 5.302 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.648 7.705 -5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.710 7.752 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.890 8.700 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.725 7.298 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.634 7.254 -3.704 1.00 0.00 H new ATOM 1607 N THR A 103 9.006 3.168 -3.395 1.00 0.00 N ATOM 1608 CA THR A 103 8.241 2.125 -2.695 1.00 0.00 C ATOM 1609 C THR A 103 6.953 1.753 -3.468 1.00 0.00 C ATOM 1610 O THR A 103 6.688 0.561 -3.694 1.00 0.00 O ATOM 1611 CB THR A 103 7.941 2.551 -1.231 1.00 0.00 C ATOM 1612 OG1 THR A 103 9.034 3.310 -0.699 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.704 1.374 -0.284 1.00 0.00 C ATOM 0 H THR A 103 9.288 3.948 -2.801 1.00 0.00 H new ATOM 0 HA THR A 103 8.854 1.224 -2.655 1.00 0.00 H new ATOM 0 HB THR A 103 7.025 3.139 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.732 3.813 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.501 1.749 0.719 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.851 0.792 -0.633 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.591 0.741 -0.262 1.00 0.00 H new ATOM 1621 N LYS A 104 6.189 2.763 -3.928 1.00 0.00 N ATOM 1622 CA LYS A 104 4.987 2.485 -4.727 1.00 0.00 C ATOM 1623 C LYS A 104 5.357 1.725 -6.004 1.00 0.00 C ATOM 1624 O LYS A 104 4.791 0.660 -6.272 1.00 0.00 O ATOM 1625 CB LYS A 104 4.147 3.755 -5.051 1.00 0.00 C ATOM 1626 CG LYS A 104 4.949 5.007 -5.427 1.00 0.00 C ATOM 1627 CD LYS A 104 4.372 5.707 -6.662 1.00 0.00 C ATOM 1628 CE LYS A 104 5.357 5.684 -7.831 1.00 0.00 C ATOM 1629 NZ LYS A 104 4.775 6.159 -9.110 1.00 0.00 N ATOM 0 H LYS A 104 6.378 3.752 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 104 4.344 1.856 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.470 3.520 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.528 3.989 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.954 5.701 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.986 4.730 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.444 5.219 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.124 6.739 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.218 6.304 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.725 4.667 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.145 5.585 -9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.739 6.070 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.032 7.156 -9.259 1.00 0.00 H new ATOM 1643 N GLU A 105 6.369 2.229 -6.749 1.00 0.00 N ATOM 1644 CA GLU A 105 6.850 1.535 -7.957 1.00 0.00 C ATOM 1645 C GLU A 105 7.168 0.077 -7.639 1.00 0.00 C ATOM 1646 O GLU A 105 6.648 -0.828 -8.299 1.00 0.00 O ATOM 1647 CB GLU A 105 8.101 2.210 -8.540 1.00 0.00 C ATOM 1648 CG GLU A 105 7.877 3.615 -9.093 1.00 0.00 C ATOM 1649 CD GLU A 105 6.972 3.676 -10.305 1.00 0.00 C ATOM 1650 OE1 GLU A 105 6.774 2.656 -10.981 1.00 0.00 O ATOM 1651 OE2 GLU A 105 6.463 4.760 -10.588 1.00 0.00 O ATOM 0 H GLU A 105 6.858 3.099 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 105 6.053 1.587 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.864 2.259 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.497 1.581 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.452 4.238 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.843 4.047 -9.354 1.00 0.00 H new ATOM 1658 N ARG A 106 8.003 -0.138 -6.596 1.00 0.00 N ATOM 1659 CA ARG A 106 8.374 -1.494 -6.146 1.00 0.00 C ATOM 1660 C ARG A 106 7.127 -2.386 -6.057 1.00 0.00 C ATOM 1661 O ARG A 106 7.094 -3.476 -6.619 1.00 0.00 O ATOM 1662 CB ARG A 106 9.069 -1.459 -4.771 1.00 0.00 C ATOM 1663 CG ARG A 106 10.366 -0.683 -4.705 1.00 0.00 C ATOM 1664 CD ARG A 106 11.030 -0.852 -3.335 1.00 0.00 C ATOM 1665 NE ARG A 106 11.324 -2.267 -2.997 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.519 -2.735 -1.730 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.470 -1.887 -0.679 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.777 -4.035 -1.528 1.00 0.00 N ATOM 0 H ARG A 106 8.431 0.612 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 106 9.069 -1.903 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.376 -1.032 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.266 -2.485 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.042 -1.028 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.173 0.373 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.958 -0.280 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.380 -0.430 -2.569 1.00 0.00 H new ATOM 0 HE ARG A 106 11.384 -2.936 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.287 -0.895 -0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.616 -2.239 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.828 -4.674 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.923 -4.385 -0.581 1.00 0.00 H new ATOM 1682 N LEU A 107 6.092 -1.875 -5.384 1.00 0.00 N ATOM 1683 CA LEU A 107 4.801 -2.577 -5.229 1.00 0.00 C ATOM 1684 C LEU A 107 4.200 -2.956 -6.592 1.00 0.00 C ATOM 1685 O LEU A 107 3.717 -4.082 -6.795 1.00 0.00 O ATOM 1686 CB LEU A 107 3.809 -1.670 -4.468 1.00 0.00 C ATOM 1687 CG LEU A 107 2.943 -2.327 -3.385 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.788 -3.089 -2.388 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.121 -1.276 -2.673 1.00 0.00 C ATOM 0 H LEU A 107 6.119 -0.963 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 107 4.980 -3.494 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.377 -0.865 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.144 -1.210 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 107 2.277 -3.039 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.143 -3.542 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.345 -3.870 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.486 -2.405 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.509 -1.751 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.785 -0.548 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.475 -0.771 -3.391 1.00 0.00 H new ATOM 1701 N PHE A 108 4.234 -2.021 -7.515 1.00 0.00 N ATOM 1702 CA PHE A 108 3.687 -2.217 -8.842 1.00 0.00 C ATOM 1703 C PHE A 108 4.515 -3.176 -9.646 1.00 0.00 C ATOM 1704 O PHE A 108 3.957 -3.927 -10.464 1.00 0.00 O ATOM 1705 CB PHE A 108 3.493 -0.890 -9.584 1.00 0.00 C ATOM 1706 CG PHE A 108 2.255 -0.167 -9.143 1.00 0.00 C ATOM 1707 CD1 PHE A 108 2.306 0.718 -8.091 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.039 -0.389 -9.762 1.00 0.00 C ATOM 1709 CE1 PHE A 108 1.183 1.371 -7.658 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.094 0.265 -9.335 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.023 1.147 -8.281 1.00 0.00 C ATOM 0 H PHE A 108 4.643 -1.099 -7.367 1.00 0.00 H new ATOM 0 HA PHE A 108 2.700 -2.662 -8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.362 -0.253 -9.418 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.438 -1.080 -10.656 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.249 0.901 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.978 -1.082 -10.588 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.244 2.061 -6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.039 0.086 -9.827 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.911 1.661 -7.944 1.00 0.00 H new ATOM 1721 N ARG A 109 5.839 -3.210 -9.410 1.00 0.00 N ATOM 1722 CA ARG A 109 6.695 -4.167 -10.116 1.00 0.00 C ATOM 1723 C ARG A 109 6.106 -5.565 -9.978 1.00 0.00 C ATOM 1724 O ARG A 109 6.082 -6.333 -10.954 1.00 0.00 O ATOM 1725 CB ARG A 109 8.158 -4.166 -9.615 1.00 0.00 C ATOM 1726 CG ARG A 109 8.733 -2.800 -9.259 1.00 0.00 C ATOM 1727 CD ARG A 109 8.705 -1.802 -10.420 1.00 0.00 C ATOM 1728 NE ARG A 109 9.081 -2.398 -11.716 1.00 0.00 N ATOM 1729 CZ ARG A 109 10.348 -2.525 -12.174 1.00 0.00 C ATOM 1730 NH1 ARG A 109 11.388 -2.229 -11.385 1.00 0.00 N ATOM 1731 NH2 ARG A 109 10.556 -2.974 -13.413 1.00 0.00 N ATOM 0 H ARG A 109 6.325 -2.601 -8.752 1.00 0.00 H new ATOM 0 HA ARG A 109 6.724 -3.859 -11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.222 -4.807 -8.736 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.786 -4.615 -10.384 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.172 -2.386 -8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.762 -2.925 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.704 -1.378 -10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.383 -0.978 -10.197 1.00 0.00 H new ATOM 0 HE ARG A 109 8.328 -2.741 -12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.228 -1.905 -10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.340 -2.327 -11.738 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.763 -3.218 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.508 -3.073 -13.767 1.00 0.00 H new ATOM 1745 N LEU A 110 5.597 -5.889 -8.763 1.00 0.00 N ATOM 1746 CA LEU A 110 5.008 -7.155 -8.511 1.00 0.00 C ATOM 1747 C LEU A 110 3.687 -7.325 -9.282 1.00 0.00 C ATOM 1748 O LEU A 110 3.480 -8.339 -9.965 1.00 0.00 O ATOM 1749 CB LEU A 110 4.753 -7.285 -7.018 1.00 0.00 C ATOM 1750 CG LEU A 110 5.890 -6.942 -6.034 1.00 0.00 C ATOM 1751 CD1 LEU A 110 7.233 -6.742 -6.677 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.533 -5.800 -5.106 1.00 0.00 C ATOM 0 H LEU A 110 5.600 -5.260 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 110 5.691 -7.934 -8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.902 -6.649 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.449 -8.314 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 110 5.997 -7.838 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.971 -6.505 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.528 -7.655 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.175 -5.921 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.369 -5.601 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.319 -4.907 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.654 -6.068 -4.520 1.00 0.00 H new ATOM 1764 N PHE A 111 2.780 -6.353 -9.127 1.00 0.00 N ATOM 1765 CA PHE A 111 1.438 -6.410 -9.758 1.00 0.00 C ATOM 1766 C PHE A 111 1.464 -6.246 -11.293 1.00 0.00 C ATOM 1767 O PHE A 111 0.449 -6.506 -11.958 1.00 0.00 O ATOM 1768 CB PHE A 111 0.490 -5.374 -9.132 1.00 0.00 C ATOM 1769 CG PHE A 111 0.043 -5.727 -7.737 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.024 -6.589 -7.529 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.693 -5.202 -6.632 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.432 -6.916 -6.248 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.291 -5.526 -5.353 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.771 -6.383 -5.160 1.00 0.00 C ATOM 0 H PHE A 111 2.943 -5.513 -8.571 1.00 0.00 H new ATOM 0 HA PHE A 111 1.064 -7.414 -9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.989 -4.405 -9.110 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.388 -5.266 -9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.543 -7.010 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.526 -4.530 -6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.266 -7.587 -6.100 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.809 -5.108 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.086 -6.637 -4.159 1.00 0.00 H new ATOM 1784 N SER A 112 2.585 -5.789 -11.848 1.00 0.00 N ATOM 1785 CA SER A 112 2.698 -5.553 -13.299 1.00 0.00 C ATOM 1786 C SER A 112 3.042 -6.823 -14.110 1.00 0.00 C ATOM 1787 O SER A 112 3.417 -6.717 -15.285 1.00 0.00 O ATOM 1788 CB SER A 112 3.713 -4.438 -13.593 1.00 0.00 C ATOM 1789 OG SER A 112 3.432 -3.261 -12.821 1.00 0.00 O ATOM 0 H SER A 112 3.431 -5.573 -11.321 1.00 0.00 H new ATOM 0 HA SER A 112 1.708 -5.239 -13.628 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.720 -4.791 -13.369 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.690 -4.193 -14.655 1.00 0.00 H new ATOM 0 HG SER A 112 3.378 -3.498 -11.872 1.00 0.00 H new ATOM 1795 N GLY A 113 2.900 -8.017 -13.517 1.00 0.00 N ATOM 1796 CA GLY A 113 3.180 -9.233 -14.272 1.00 0.00 C ATOM 1797 C GLY A 113 4.144 -10.198 -13.614 1.00 0.00 C ATOM 1798 O GLY A 113 4.193 -11.359 -14.027 1.00 0.00 O ATOM 0 H GLY A 113 2.604 -8.160 -12.552 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.239 -9.753 -14.453 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.582 -8.952 -15.246 1.00 0.00 H new ATOM 1802 N GLU A 114 4.926 -9.743 -12.609 1.00 0.00 N ATOM 1803 CA GLU A 114 5.908 -10.617 -11.939 1.00 0.00 C ATOM 1804 C GLU A 114 5.245 -11.876 -11.321 1.00 0.00 C ATOM 1805 O GLU A 114 4.983 -12.856 -12.017 1.00 0.00 O ATOM 1806 CB GLU A 114 6.731 -9.844 -10.875 1.00 0.00 C ATOM 1807 CG GLU A 114 8.029 -9.234 -11.387 1.00 0.00 C ATOM 1808 CD GLU A 114 9.264 -9.926 -10.857 1.00 0.00 C ATOM 1809 OE1 GLU A 114 9.263 -11.159 -10.716 1.00 0.00 O ATOM 1810 OE2 GLU A 114 10.242 -9.238 -10.587 1.00 0.00 O ATOM 0 H GLU A 114 4.896 -8.789 -12.250 1.00 0.00 H new ATOM 0 HA GLU A 114 6.597 -10.959 -12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.110 -9.048 -10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.964 -10.522 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.037 -9.275 -12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.063 -8.181 -11.108 1.00 0.00 H new ATOM 1817 N TYR A 115 5.002 -11.853 -10.012 1.00 0.00 N ATOM 1818 CA TYR A 115 4.413 -13.002 -9.316 1.00 0.00 C ATOM 1819 C TYR A 115 2.894 -12.946 -9.320 1.00 0.00 C ATOM 1820 O TYR A 115 2.240 -13.970 -9.442 1.00 0.00 O ATOM 1821 CB TYR A 115 4.947 -13.161 -7.860 1.00 0.00 C ATOM 1822 CG TYR A 115 5.960 -12.112 -7.424 1.00 0.00 C ATOM 1823 CD1 TYR A 115 7.234 -12.078 -7.977 1.00 0.00 C ATOM 1824 CD2 TYR A 115 5.635 -11.154 -6.482 1.00 0.00 C ATOM 1825 CE1 TYR A 115 8.150 -11.121 -7.604 1.00 0.00 C ATOM 1826 CE2 TYR A 115 6.544 -10.197 -6.099 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.805 -10.184 -6.666 1.00 0.00 C ATOM 1828 OH TYR A 115 8.719 -9.226 -6.303 1.00 0.00 O ATOM 0 H TYR A 115 5.202 -11.054 -9.410 1.00 0.00 H new ATOM 0 HA TYR A 115 4.726 -13.883 -9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.100 -13.133 -7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.403 -14.146 -7.763 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.511 -12.817 -8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.650 -11.158 -6.039 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.134 -11.109 -8.048 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.275 -9.458 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 115 8.688 -9.095 -5.332 1.00 0.00 H new ATOM 1838 N ILE A 116 2.341 -11.741 -9.113 1.00 0.00 N ATOM 1839 CA ILE A 116 0.891 -11.534 -9.009 1.00 0.00 C ATOM 1840 C ILE A 116 0.088 -12.306 -10.075 1.00 0.00 C ATOM 1841 O ILE A 116 -0.864 -13.008 -9.726 1.00 0.00 O ATOM 1842 CB ILE A 116 0.515 -10.018 -9.020 1.00 0.00 C ATOM 1843 CG1 ILE A 116 1.203 -9.283 -7.858 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -0.988 -9.840 -8.914 1.00 0.00 C ATOM 1845 CD1 ILE A 116 0.775 -9.773 -6.492 1.00 0.00 C ATOM 0 H ILE A 116 2.887 -10.885 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 116 0.607 -11.948 -8.041 1.00 0.00 H new ATOM 0 HB ILE A 116 0.858 -9.593 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.283 -9.399 -7.954 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.989 -8.217 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.230 -8.777 -8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.473 -10.330 -9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.342 -10.285 -7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.301 -9.209 -5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.299 -9.632 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.015 -10.832 -6.394 1.00 0.00 H new ATOM 1857 N SER A 117 0.477 -12.182 -11.351 1.00 0.00 N ATOM 1858 CA SER A 117 -0.216 -12.885 -12.456 1.00 0.00 C ATOM 1859 C SER A 117 -0.467 -14.352 -12.119 1.00 0.00 C ATOM 1860 O SER A 117 -1.567 -14.854 -12.314 1.00 0.00 O ATOM 1861 CB SER A 117 0.582 -12.784 -13.747 1.00 0.00 C ATOM 1862 OG SER A 117 1.511 -11.690 -13.701 1.00 0.00 O ATOM 0 H SER A 117 1.264 -11.606 -11.650 1.00 0.00 H new ATOM 0 HA SER A 117 -1.180 -12.395 -12.593 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.122 -13.716 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.098 -12.651 -14.588 1.00 0.00 H new ATOM 0 HG SER A 117 2.420 -12.026 -13.849 1.00 0.00 H new