USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 69 SER OG : rot -161:sc= 0.647 USER MOD Set 1.2: A 76 ASN : amide:sc= -0.0419 X(o=0.61,f=0.54) USER MOD Set 2.1: A 42 MET CE :methyl -168:sc= -0.911 (180deg=-0.893) USER MOD Set 2.2: A 56 ASN : amide:sc= -2.88! K(o=-3.8!,f=-1.2) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 134:sc= 0.0639 (180deg=-0.158) USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0.0789 USER MOD Set 4.1: A 13 GLN : amide:sc= -0.749 K(o=-0.65,f=-7.3!) USER MOD Set 4.2: A 115 THR OG1 : rot -83:sc= 0.101 USER MOD Single : A 10 GLN : amide:sc= -5.72! K(o=-5.7!,f=-1.2) USER MOD Single : A 19 SER OG : rot 20:sc= 0.659 USER MOD Single : A 25 SER OG : rot 32:sc= 0.238 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -175:sc= -2.85 (180deg=-2.93) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.48 K(o=-1.5,f=-8.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=-0.59) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 40:sc= 0.505 USER MOD Single : A 80 SER OG : rot 180:sc= -0.834 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 85 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.38) USER MOD Single : A 87 THR OG1 : rot -88:sc= 0.194 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 94 TYR OH : rot -43:sc= 0.67 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -135:sc= -0.498 (180deg=-3!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 154:sc= 0.0525 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -156:sc= -0.116 (180deg=-0.586) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.847 26.276 -5.667 1.00 0.00 N ATOM 67 CA GLU A 8 -7.224 25.656 -4.402 1.00 0.00 C ATOM 68 C GLU A 8 -6.564 24.288 -4.248 1.00 0.00 C ATOM 69 O GLU A 8 -6.453 23.528 -5.211 1.00 0.00 O ATOM 70 CB GLU A 8 -8.745 25.513 -4.313 1.00 0.00 C ATOM 71 CG GLU A 8 -9.223 24.906 -3.004 1.00 0.00 C ATOM 72 CD GLU A 8 -10.616 25.368 -2.622 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.489 25.422 -3.513 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.832 25.675 -1.431 1.00 0.00 O ATOM 0 HA GLU A 8 -6.878 26.300 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.202 26.495 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.092 24.893 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.215 23.819 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.526 25.170 -2.209 1.00 0.00 H new ATOM 81 N LEU A 9 -6.127 23.983 -3.032 1.00 0.00 N ATOM 82 CA LEU A 9 -5.477 22.708 -2.750 1.00 0.00 C ATOM 83 C LEU A 9 -6.316 21.543 -3.265 1.00 0.00 C ATOM 84 O LEU A 9 -7.523 21.677 -3.465 1.00 0.00 O ATOM 85 CB LEU A 9 -5.240 22.555 -1.246 1.00 0.00 C ATOM 86 CG LEU A 9 -4.848 21.157 -0.768 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.188 21.226 0.600 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.067 20.246 -0.728 1.00 0.00 C ATOM 0 H LEU A 9 -6.211 24.601 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.517 22.696 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.456 23.252 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.148 22.855 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.130 20.740 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.916 20.221 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.292 21.843 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.883 21.663 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.769 19.255 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.808 20.659 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.498 20.171 -1.726 1.00 0.00 H new ATOM 100 N GLN A 10 -5.669 20.402 -3.476 1.00 0.00 N ATOM 101 CA GLN A 10 -6.357 19.213 -3.967 1.00 0.00 C ATOM 102 C GLN A 10 -5.483 17.974 -3.808 1.00 0.00 C ATOM 103 O GLN A 10 -4.311 17.975 -4.186 1.00 0.00 O ATOM 104 CB GLN A 10 -6.745 19.393 -5.435 1.00 0.00 C ATOM 105 CG GLN A 10 -6.949 18.081 -6.175 1.00 0.00 C ATOM 106 CD GLN A 10 -8.178 17.329 -5.703 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.305 17.675 -6.056 1.00 0.00 O ATOM 108 NE2 GLN A 10 -7.966 16.294 -4.899 1.00 0.00 N ATOM 0 H GLN A 10 -4.670 20.275 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.261 19.076 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.663 19.978 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.969 19.968 -5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.038 18.281 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.069 17.452 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.014 16.042 -4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.755 15.750 -4.549 1.00 0.00 H new ATOM 117 N VAL A 11 -6.060 16.917 -3.244 1.00 0.00 N ATOM 118 CA VAL A 11 -5.333 15.670 -3.036 1.00 0.00 C ATOM 119 C VAL A 11 -5.063 14.964 -4.359 1.00 0.00 C ATOM 120 O VAL A 11 -5.971 14.400 -4.970 1.00 0.00 O ATOM 121 CB VAL A 11 -6.109 14.717 -2.107 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.356 13.407 -1.936 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.362 15.376 -0.759 1.00 0.00 C ATOM 0 H VAL A 11 -7.028 16.900 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.384 15.931 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.073 14.497 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.919 12.747 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.232 12.929 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.376 13.605 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.911 14.689 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.410 15.627 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.947 16.285 -0.902 1.00 0.00 H new ATOM 133 N ILE A 12 -3.809 14.997 -4.796 1.00 0.00 N ATOM 134 CA ILE A 12 -3.418 14.358 -6.047 1.00 0.00 C ATOM 135 C ILE A 12 -3.176 12.866 -5.849 1.00 0.00 C ATOM 136 O ILE A 12 -2.387 12.464 -4.995 1.00 0.00 O ATOM 137 CB ILE A 12 -2.148 15.000 -6.634 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.463 16.390 -7.190 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.558 14.111 -7.718 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.619 16.403 -8.166 1.00 0.00 C ATOM 0 H ILE A 12 -3.046 15.460 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.242 14.500 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.411 15.107 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.690 17.061 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.576 16.784 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.661 14.578 -8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.301 13.141 -7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.289 13.976 -8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.786 17.421 -8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.387 15.758 -9.014 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.519 16.039 -7.669 1.00 0.00 H new ATOM 152 N GLN A 13 -3.859 12.051 -6.646 1.00 0.00 N ATOM 153 CA GLN A 13 -3.716 10.602 -6.560 1.00 0.00 C ATOM 154 C GLN A 13 -3.340 10.010 -7.914 1.00 0.00 C ATOM 155 O GLN A 13 -4.195 9.596 -8.697 1.00 0.00 O ATOM 156 CB GLN A 13 -5.015 9.970 -6.057 1.00 0.00 C ATOM 157 CG GLN A 13 -5.085 9.846 -4.543 1.00 0.00 C ATOM 158 CD GLN A 13 -5.917 8.661 -4.093 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.609 8.033 -4.894 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.853 8.349 -2.804 1.00 0.00 N ATOM 0 H GLN A 13 -4.516 12.369 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.915 10.383 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.858 10.568 -6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.123 8.980 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.076 9.749 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.507 10.761 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.266 8.897 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.391 7.561 -2.443 1.00 0.00 H new ATOM 169 N PRO A 14 -2.030 9.968 -8.198 1.00 0.00 N ATOM 170 CA PRO A 14 -1.510 9.429 -9.459 1.00 0.00 C ATOM 171 C PRO A 14 -1.679 7.916 -9.555 1.00 0.00 C ATOM 172 O PRO A 14 -1.902 7.376 -10.638 1.00 0.00 O ATOM 173 CB PRO A 14 -0.025 9.799 -9.418 1.00 0.00 C ATOM 174 CG PRO A 14 0.294 9.924 -7.968 1.00 0.00 C ATOM 175 CD PRO A 14 -0.955 10.444 -7.312 1.00 0.00 C ATOM 0 HA PRO A 14 -2.039 9.830 -10.323 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.587 9.033 -9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.165 10.733 -9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.583 8.961 -7.548 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.130 10.605 -7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.068 10.057 -6.299 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.947 11.531 -7.238 1.00 0.00 H new ATOM 183 N GLU A 15 -1.571 7.240 -8.416 1.00 0.00 N ATOM 184 CA GLU A 15 -1.712 5.789 -8.374 1.00 0.00 C ATOM 185 C GLU A 15 -3.169 5.390 -8.157 1.00 0.00 C ATOM 186 O GLU A 15 -3.599 5.155 -7.028 1.00 0.00 O ATOM 187 CB GLU A 15 -0.840 5.202 -7.262 1.00 0.00 C ATOM 188 CG GLU A 15 0.612 5.010 -7.664 1.00 0.00 C ATOM 189 CD GLU A 15 1.270 3.850 -6.943 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.877 2.693 -7.201 1.00 0.00 O ATOM 191 OE2 GLU A 15 2.176 4.098 -6.121 1.00 0.00 O ATOM 0 H GLU A 15 -1.387 7.673 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.383 5.390 -9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.884 5.858 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.254 4.241 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.668 4.843 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.167 5.925 -7.454 1.00 0.00 H new ATOM 198 N LYS A 16 -3.924 5.316 -9.248 1.00 0.00 N ATOM 199 CA LYS A 16 -5.333 4.945 -9.180 1.00 0.00 C ATOM 200 C LYS A 16 -5.520 3.663 -8.375 1.00 0.00 C ATOM 201 O LYS A 16 -6.544 3.474 -7.720 1.00 0.00 O ATOM 202 CB LYS A 16 -5.902 4.763 -10.589 1.00 0.00 C ATOM 203 CG LYS A 16 -5.187 3.697 -11.401 1.00 0.00 C ATOM 204 CD LYS A 16 -6.068 3.159 -12.515 1.00 0.00 C ATOM 205 CE LYS A 16 -5.301 2.214 -13.426 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.730 1.061 -12.675 1.00 0.00 N ATOM 0 H LYS A 16 -3.584 5.508 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.871 5.749 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.958 4.504 -10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.844 5.713 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.275 4.114 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.888 2.879 -10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.922 2.637 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.463 3.989 -13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.965 1.845 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.497 2.759 -13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.922 0.180 -13.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.703 1.187 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.166 1.010 -11.732 1.00 0.00 H new ATOM 220 N SER A 17 -4.522 2.785 -8.429 1.00 0.00 N ATOM 221 CA SER A 17 -4.578 1.520 -7.706 1.00 0.00 C ATOM 222 C SER A 17 -3.183 0.925 -7.543 1.00 0.00 C ATOM 223 O SER A 17 -2.371 0.955 -8.468 1.00 0.00 O ATOM 224 CB SER A 17 -5.485 0.529 -8.440 1.00 0.00 C ATOM 225 OG SER A 17 -4.917 0.140 -9.679 1.00 0.00 O ATOM 0 H SER A 17 -3.666 2.927 -8.966 1.00 0.00 H new ATOM 0 HA SER A 17 -4.989 1.714 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.646 -0.351 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.462 0.982 -8.610 1.00 0.00 H new ATOM 0 HG SER A 17 -5.514 -0.494 -10.128 1.00 0.00 H new ATOM 231 N VAL A 18 -2.911 0.385 -6.360 1.00 0.00 N ATOM 232 CA VAL A 18 -1.615 -0.218 -6.074 1.00 0.00 C ATOM 233 C VAL A 18 -1.682 -1.738 -6.173 1.00 0.00 C ATOM 234 O VAL A 18 -2.751 -2.333 -6.036 1.00 0.00 O ATOM 235 CB VAL A 18 -1.111 0.172 -4.672 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.248 -0.455 -4.399 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.047 1.686 -4.531 1.00 0.00 C ATOM 0 H VAL A 18 -3.571 0.353 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.918 0.162 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.815 -0.210 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.588 -0.168 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.166 -1.540 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.965 -0.106 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.689 1.944 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.365 2.092 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.041 2.108 -4.680 1.00 0.00 H new ATOM 247 N SER A 19 -0.533 -2.362 -6.411 1.00 0.00 N ATOM 248 CA SER A 19 -0.461 -3.813 -6.532 1.00 0.00 C ATOM 249 C SER A 19 0.708 -4.368 -5.724 1.00 0.00 C ATOM 250 O SER A 19 1.859 -3.980 -5.928 1.00 0.00 O ATOM 251 CB SER A 19 -0.319 -4.217 -8.000 1.00 0.00 C ATOM 252 OG SER A 19 0.976 -3.913 -8.490 1.00 0.00 O ATOM 0 H SER A 19 0.361 -1.885 -6.524 1.00 0.00 H new ATOM 0 HA SER A 19 -1.386 -4.232 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.510 -5.285 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.068 -3.698 -8.597 1.00 0.00 H new ATOM 0 HG SER A 19 1.595 -3.810 -7.737 1.00 0.00 H new ATOM 258 N VAL A 20 0.405 -5.280 -4.805 1.00 0.00 N ATOM 259 CA VAL A 20 1.430 -5.890 -3.967 1.00 0.00 C ATOM 260 C VAL A 20 1.099 -7.349 -3.669 1.00 0.00 C ATOM 261 O VAL A 20 0.123 -7.892 -4.185 1.00 0.00 O ATOM 262 CB VAL A 20 1.592 -5.131 -2.636 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.631 -4.028 -2.774 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.256 -4.562 -2.181 1.00 0.00 C ATOM 0 H VAL A 20 -0.542 -5.612 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 20 2.366 -5.838 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 20 1.939 -5.832 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.732 -3.503 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.591 -4.465 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.316 -3.326 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.389 -4.029 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.123 -3.874 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.457 -5.375 -2.040 1.00 0.00 H new ATOM 274 N ALA A 21 1.920 -7.977 -2.833 1.00 0.00 N ATOM 275 CA ALA A 21 1.713 -9.372 -2.465 1.00 0.00 C ATOM 276 C ALA A 21 1.688 -9.542 -0.950 1.00 0.00 C ATOM 277 O ALA A 21 2.429 -8.874 -0.229 1.00 0.00 O ATOM 278 CB ALA A 21 2.797 -10.245 -3.078 1.00 0.00 C ATOM 0 H ALA A 21 2.734 -7.542 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 21 0.745 -9.686 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.630 -11.284 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.766 -10.155 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.773 -9.922 -2.715 1.00 0.00 H new ATOM 284 N ALA A 22 0.831 -10.438 -0.473 1.00 0.00 N ATOM 285 CA ALA A 22 0.711 -10.696 0.956 1.00 0.00 C ATOM 286 C ALA A 22 2.083 -10.816 1.610 1.00 0.00 C ATOM 287 O ALA A 22 2.794 -11.800 1.408 1.00 0.00 O ATOM 288 CB ALA A 22 -0.103 -11.959 1.198 1.00 0.00 C ATOM 0 H ALA A 22 0.209 -10.998 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 22 0.194 -9.851 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.185 -12.140 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.100 -11.836 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.391 -12.807 0.724 1.00 0.00 H new ATOM 294 N GLY A 23 2.451 -9.807 2.393 1.00 0.00 N ATOM 295 CA GLY A 23 3.738 -9.818 3.064 1.00 0.00 C ATOM 296 C GLY A 23 4.718 -8.834 2.455 1.00 0.00 C ATOM 297 O GLY A 23 5.876 -8.768 2.866 1.00 0.00 O ATOM 0 H GLY A 23 1.880 -8.981 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.597 -9.580 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.160 -10.822 3.018 1.00 0.00 H new ATOM 301 N GLU A 24 4.252 -8.070 1.472 1.00 0.00 N ATOM 302 CA GLU A 24 5.098 -7.087 0.805 1.00 0.00 C ATOM 303 C GLU A 24 4.829 -5.684 1.342 1.00 0.00 C ATOM 304 O GLU A 24 4.060 -5.506 2.286 1.00 0.00 O ATOM 305 CB GLU A 24 4.862 -7.120 -0.706 1.00 0.00 C ATOM 306 CG GLU A 24 5.250 -8.439 -1.354 1.00 0.00 C ATOM 307 CD GLU A 24 5.559 -8.295 -2.832 1.00 0.00 C ATOM 308 OE1 GLU A 24 4.787 -7.611 -3.536 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.574 -8.866 -3.283 1.00 0.00 O ATOM 0 H GLU A 24 3.295 -8.113 1.120 1.00 0.00 H new ATOM 0 HA GLU A 24 6.138 -7.342 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.809 -6.923 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.430 -6.315 -1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.121 -8.848 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.439 -9.156 -1.224 1.00 0.00 H new ATOM 316 N SER A 25 5.468 -4.691 0.732 1.00 0.00 N ATOM 317 CA SER A 25 5.301 -3.304 1.151 1.00 0.00 C ATOM 318 C SER A 25 4.538 -2.506 0.098 1.00 0.00 C ATOM 319 O SER A 25 4.929 -2.462 -1.068 1.00 0.00 O ATOM 320 CB SER A 25 6.665 -2.659 1.405 1.00 0.00 C ATOM 321 OG SER A 25 7.489 -2.736 0.254 1.00 0.00 O ATOM 0 H SER A 25 6.106 -4.821 -0.053 1.00 0.00 H new ATOM 0 HA SER A 25 4.724 -3.297 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.530 -1.616 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.156 -3.157 2.241 1.00 0.00 H new ATOM 0 HG SER A 25 6.932 -2.691 -0.551 1.00 0.00 H new ATOM 327 N ALA A 26 3.444 -1.878 0.518 1.00 0.00 N ATOM 328 CA ALA A 26 2.626 -1.081 -0.387 1.00 0.00 C ATOM 329 C ALA A 26 3.080 0.375 -0.399 1.00 0.00 C ATOM 330 O ALA A 26 3.721 0.845 0.541 1.00 0.00 O ATOM 331 CB ALA A 26 1.159 -1.174 0.008 1.00 0.00 C ATOM 0 H ALA A 26 3.104 -1.906 1.479 1.00 0.00 H new ATOM 0 HA ALA A 26 2.747 -1.481 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.559 -0.574 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.834 -2.213 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.032 -0.801 1.024 1.00 0.00 H new ATOM 337 N THR A 27 2.745 1.085 -1.472 1.00 0.00 N ATOM 338 CA THR A 27 3.121 2.487 -1.608 1.00 0.00 C ATOM 339 C THR A 27 1.928 3.337 -2.032 1.00 0.00 C ATOM 340 O THR A 27 1.531 3.330 -3.198 1.00 0.00 O ATOM 341 CB THR A 27 4.255 2.667 -2.634 1.00 0.00 C ATOM 342 OG1 THR A 27 5.177 1.576 -2.542 1.00 0.00 O ATOM 343 CG2 THR A 27 4.990 3.979 -2.403 1.00 0.00 C ATOM 0 H THR A 27 2.214 0.712 -2.259 1.00 0.00 H new ATOM 0 HA THR A 27 3.470 2.817 -0.630 1.00 0.00 H new ATOM 0 HB THR A 27 3.814 2.686 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.894 1.697 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.787 4.084 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.291 4.810 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.419 3.984 -1.401 1.00 0.00 H new ATOM 351 N LEU A 28 1.361 4.068 -1.079 1.00 0.00 N ATOM 352 CA LEU A 28 0.213 4.925 -1.354 1.00 0.00 C ATOM 353 C LEU A 28 0.654 6.365 -1.599 1.00 0.00 C ATOM 354 O LEU A 28 0.736 7.166 -0.668 1.00 0.00 O ATOM 355 CB LEU A 28 -0.777 4.875 -0.188 1.00 0.00 C ATOM 356 CG LEU A 28 -1.183 3.479 0.287 1.00 0.00 C ATOM 357 CD1 LEU A 28 -2.012 3.569 1.559 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.953 2.748 -0.803 1.00 0.00 C ATOM 0 H LEU A 28 1.677 4.085 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.277 4.556 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.342 5.412 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.678 5.415 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.278 2.913 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.292 2.566 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.427 4.053 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.912 4.153 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.234 1.757 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.852 3.312 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.326 2.652 -1.689 1.00 0.00 H new ATOM 370 N ARG A 29 0.935 6.686 -2.857 1.00 0.00 N ATOM 371 CA ARG A 29 1.367 8.029 -3.225 1.00 0.00 C ATOM 372 C ARG A 29 0.283 9.054 -2.908 1.00 0.00 C ATOM 373 O ARG A 29 -0.909 8.780 -3.056 1.00 0.00 O ATOM 374 CB ARG A 29 1.718 8.085 -4.713 1.00 0.00 C ATOM 375 CG ARG A 29 3.087 7.510 -5.038 1.00 0.00 C ATOM 376 CD ARG A 29 3.671 8.138 -6.294 1.00 0.00 C ATOM 377 NE ARG A 29 4.909 7.484 -6.708 1.00 0.00 N ATOM 378 CZ ARG A 29 5.575 7.803 -7.813 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.124 8.762 -8.609 1.00 0.00 N ATOM 380 NH2 ARG A 29 6.695 7.162 -8.122 1.00 0.00 N ATOM 0 H ARG A 29 0.871 6.034 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 29 2.254 8.271 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.961 7.540 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.680 9.122 -5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.762 7.678 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.007 6.431 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.942 8.078 -7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.862 9.196 -6.115 1.00 0.00 H new ATOM 0 HE ARG A 29 5.283 6.742 -6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.264 9.257 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.637 9.005 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.045 6.424 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.206 7.407 -8.970 1.00 0.00 H new ATOM 394 N CYS A 30 0.703 10.237 -2.472 1.00 0.00 N ATOM 395 CA CYS A 30 -0.231 11.304 -2.132 1.00 0.00 C ATOM 396 C CYS A 30 0.486 12.649 -2.054 1.00 0.00 C ATOM 397 O CYS A 30 1.455 12.805 -1.313 1.00 0.00 O ATOM 398 CB CYS A 30 -0.920 11.002 -0.800 1.00 0.00 C ATOM 399 SG CYS A 30 -2.151 12.249 -0.301 1.00 0.00 S ATOM 0 H CYS A 30 1.685 10.481 -2.346 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.984 11.359 -2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.410 10.031 -0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.162 10.923 -0.021 1.00 0.00 H new ATOM 404 N ALA A 31 0.000 13.617 -2.824 1.00 0.00 N ATOM 405 CA ALA A 31 0.591 14.949 -2.841 1.00 0.00 C ATOM 406 C ALA A 31 -0.479 16.023 -3.000 1.00 0.00 C ATOM 407 O ALA A 31 -1.447 15.843 -3.739 1.00 0.00 O ATOM 408 CB ALA A 31 1.620 15.056 -3.957 1.00 0.00 C ATOM 0 H ALA A 31 -0.802 13.503 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 31 1.090 15.110 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.053 16.056 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.408 14.320 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.137 14.869 -4.916 1.00 0.00 H new ATOM 414 N MET A 32 -0.299 17.140 -2.303 1.00 0.00 N ATOM 415 CA MET A 32 -1.250 18.243 -2.368 1.00 0.00 C ATOM 416 C MET A 32 -0.705 19.381 -3.226 1.00 0.00 C ATOM 417 O MET A 32 0.474 19.725 -3.143 1.00 0.00 O ATOM 418 CB MET A 32 -1.567 18.756 -0.962 1.00 0.00 C ATOM 419 CG MET A 32 -2.494 17.842 -0.177 1.00 0.00 C ATOM 420 SD MET A 32 -1.604 16.568 0.737 1.00 0.00 S ATOM 421 CE MET A 32 -2.791 15.228 0.695 1.00 0.00 C ATOM 0 H MET A 32 0.497 17.305 -1.687 1.00 0.00 H new ATOM 0 HA MET A 32 -2.167 17.872 -2.827 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.635 18.877 -0.409 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.022 19.743 -1.038 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.082 18.439 0.520 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.196 17.368 -0.863 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.423 14.397 1.296 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.743 15.573 1.098 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.930 14.898 -0.334 1.00 0.00 H new ATOM 431 N THR A 33 -1.571 19.962 -4.050 1.00 0.00 N ATOM 432 CA THR A 33 -1.176 21.060 -4.924 1.00 0.00 C ATOM 433 C THR A 33 -0.770 22.287 -4.116 1.00 0.00 C ATOM 434 O THR A 33 -0.285 23.274 -4.669 1.00 0.00 O ATOM 435 CB THR A 33 -2.313 21.447 -5.889 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.268 22.272 -5.213 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.003 20.207 -6.437 1.00 0.00 C ATOM 0 H THR A 33 -2.551 19.690 -4.131 1.00 0.00 H new ATOM 0 HA THR A 33 -0.321 20.711 -5.503 1.00 0.00 H new ATOM 0 HB THR A 33 -1.881 22.000 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.987 22.516 -5.833 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.802 20.505 -7.116 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.279 19.596 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.423 19.630 -5.613 1.00 0.00 H new ATOM 445 N SER A 34 -0.972 22.219 -2.804 1.00 0.00 N ATOM 446 CA SER A 34 -0.630 23.327 -1.919 1.00 0.00 C ATOM 447 C SER A 34 -0.682 22.891 -0.458 1.00 0.00 C ATOM 448 O SER A 34 -1.142 21.794 -0.141 1.00 0.00 O ATOM 449 CB SER A 34 -1.582 24.502 -2.147 1.00 0.00 C ATOM 450 OG SER A 34 -0.976 25.729 -1.779 1.00 0.00 O ATOM 0 H SER A 34 -1.371 21.408 -2.330 1.00 0.00 H new ATOM 0 HA SER A 34 0.387 23.643 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.875 24.538 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.493 24.354 -1.566 1.00 0.00 H new ATOM 0 HG SER A 34 -1.605 26.464 -1.936 1.00 0.00 H new ATOM 456 N LEU A 35 -0.206 23.759 0.429 1.00 0.00 N ATOM 457 CA LEU A 35 -0.198 23.466 1.858 1.00 0.00 C ATOM 458 C LEU A 35 -1.369 24.145 2.560 1.00 0.00 C ATOM 459 O LEU A 35 -1.674 23.842 3.714 1.00 0.00 O ATOM 460 CB LEU A 35 1.121 23.922 2.484 1.00 0.00 C ATOM 461 CG LEU A 35 2.396 23.412 1.811 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.548 24.376 2.049 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.748 22.021 2.319 1.00 0.00 C ATOM 0 H LEU A 35 0.179 24.671 0.183 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.299 22.388 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.144 25.012 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.133 23.606 3.527 1.00 0.00 H new ATOM 0 HG LEU A 35 2.217 23.350 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.447 23.996 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.297 25.353 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.728 24.471 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.658 21.674 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.907 22.057 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.931 21.335 2.095 1.00 0.00 H new ATOM 475 N ILE A 36 -2.023 25.062 1.855 1.00 0.00 N ATOM 476 CA ILE A 36 -3.163 25.781 2.410 1.00 0.00 C ATOM 477 C ILE A 36 -4.479 25.199 1.905 1.00 0.00 C ATOM 478 O ILE A 36 -4.640 24.898 0.722 1.00 0.00 O ATOM 479 CB ILE A 36 -3.109 27.279 2.059 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.787 27.888 2.529 1.00 0.00 C ATOM 481 CG2 ILE A 36 -4.287 28.013 2.683 1.00 0.00 C ATOM 482 CD1 ILE A 36 -1.454 27.571 3.971 1.00 0.00 C ATOM 0 H ILE A 36 -1.783 25.324 0.899 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.110 25.668 3.493 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.172 27.385 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.982 27.525 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.830 28.970 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.234 29.071 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.219 27.593 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.253 27.901 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.504 28.035 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.240 27.958 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.378 26.491 4.098 1.00 0.00 H new ATOM 494 N PRO A 37 -5.446 25.038 2.821 1.00 0.00 N ATOM 495 CA PRO A 37 -5.266 25.393 4.232 1.00 0.00 C ATOM 496 C PRO A 37 -4.298 24.456 4.946 1.00 0.00 C ATOM 497 O PRO A 37 -4.253 23.259 4.663 1.00 0.00 O ATOM 498 CB PRO A 37 -6.674 25.252 4.815 1.00 0.00 C ATOM 499 CG PRO A 37 -7.357 24.273 3.924 1.00 0.00 C ATOM 500 CD PRO A 37 -6.788 24.497 2.550 1.00 0.00 C ATOM 0 HA PRO A 37 -4.838 26.388 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.642 24.895 5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.196 26.209 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.179 23.251 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.436 24.427 3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.740 23.570 1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.394 25.196 1.973 1.00 0.00 H new ATOM 508 N VAL A 38 -3.523 25.009 5.875 1.00 0.00 N ATOM 509 CA VAL A 38 -2.556 24.222 6.631 1.00 0.00 C ATOM 510 C VAL A 38 -3.245 23.108 7.412 1.00 0.00 C ATOM 511 O VAL A 38 -4.392 23.249 7.834 1.00 0.00 O ATOM 512 CB VAL A 38 -1.759 25.103 7.610 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.607 25.459 8.821 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.477 24.403 8.034 1.00 0.00 C ATOM 0 H VAL A 38 -3.546 25.998 6.122 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.869 23.783 5.907 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.490 26.028 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.026 26.082 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.493 26.004 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.910 24.546 9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.074 25.040 8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.722 23.461 8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.137 24.205 7.156 1.00 0.00 H new ATOM 524 N GLY A 39 -2.535 22.000 7.603 1.00 0.00 N ATOM 525 CA GLY A 39 -3.094 20.878 8.334 1.00 0.00 C ATOM 526 C GLY A 39 -2.316 19.596 8.111 1.00 0.00 C ATOM 527 O GLY A 39 -1.662 19.412 7.084 1.00 0.00 O ATOM 0 H GLY A 39 -1.583 21.860 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.106 21.112 9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.130 20.729 8.029 1.00 0.00 H new ATOM 531 N PRO A 40 -2.381 18.682 9.090 1.00 0.00 N ATOM 532 CA PRO A 40 -1.682 17.395 9.020 1.00 0.00 C ATOM 533 C PRO A 40 -2.288 16.463 7.977 1.00 0.00 C ATOM 534 O PRO A 40 -3.114 16.879 7.164 1.00 0.00 O ATOM 535 CB PRO A 40 -1.863 16.816 10.425 1.00 0.00 C ATOM 536 CG PRO A 40 -3.106 17.456 10.941 1.00 0.00 C ATOM 537 CD PRO A 40 -3.141 18.834 10.342 1.00 0.00 C ATOM 0 HA PRO A 40 -0.640 17.513 8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.959 15.731 10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.007 17.044 11.060 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.988 16.883 10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.097 17.504 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.163 19.165 10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.684 19.571 11.002 1.00 0.00 H new ATOM 545 N ILE A 41 -1.874 15.201 8.006 1.00 0.00 N ATOM 546 CA ILE A 41 -2.378 14.210 7.063 1.00 0.00 C ATOM 547 C ILE A 41 -2.831 12.945 7.785 1.00 0.00 C ATOM 548 O ILE A 41 -2.235 12.541 8.783 1.00 0.00 O ATOM 549 CB ILE A 41 -1.312 13.836 6.016 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.898 15.072 5.215 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.838 12.749 5.090 1.00 0.00 C ATOM 552 CD1 ILE A 41 -2.023 15.667 4.397 1.00 0.00 C ATOM 0 H ILE A 41 -1.191 14.840 8.672 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.231 14.662 6.556 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.434 13.451 6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.519 15.829 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.077 14.805 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.074 12.495 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.088 11.863 5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.729 13.109 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.657 16.539 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.388 14.925 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.836 15.965 5.059 1.00 0.00 H new ATOM 564 N MET A 42 -3.888 12.324 7.272 1.00 0.00 N ATOM 565 CA MET A 42 -4.419 11.103 7.866 1.00 0.00 C ATOM 566 C MET A 42 -5.050 10.210 6.803 1.00 0.00 C ATOM 567 O MET A 42 -5.917 10.649 6.046 1.00 0.00 O ATOM 568 CB MET A 42 -5.452 11.441 8.943 1.00 0.00 C ATOM 569 CG MET A 42 -4.863 12.160 10.146 1.00 0.00 C ATOM 570 SD MET A 42 -6.022 12.275 11.522 1.00 0.00 S ATOM 571 CE MET A 42 -5.547 13.849 12.234 1.00 0.00 C ATOM 0 H MET A 42 -4.393 12.646 6.447 1.00 0.00 H new ATOM 0 HA MET A 42 -3.591 10.563 8.324 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.232 12.063 8.504 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.930 10.520 9.278 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.966 11.635 10.475 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.555 13.163 9.850 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.019 13.964 13.210 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.464 13.884 12.349 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.869 14.657 11.577 1.00 0.00 H new ATOM 581 N TRP A 43 -4.610 8.959 6.750 1.00 0.00 N ATOM 582 CA TRP A 43 -5.132 8.005 5.778 1.00 0.00 C ATOM 583 C TRP A 43 -6.284 7.201 6.369 1.00 0.00 C ATOM 584 O TRP A 43 -6.334 6.964 7.576 1.00 0.00 O ATOM 585 CB TRP A 43 -4.022 7.062 5.311 1.00 0.00 C ATOM 586 CG TRP A 43 -3.033 7.716 4.394 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.913 8.409 4.757 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.076 7.741 2.964 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.258 8.863 3.638 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.950 8.465 2.525 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.954 7.220 2.010 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.683 8.681 1.176 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.688 7.435 0.671 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.560 8.159 0.264 1.00 0.00 C ATOM 0 H TRP A 43 -3.893 8.581 7.369 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.507 8.565 4.922 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.496 6.672 6.182 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.470 6.209 4.801 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.590 8.575 5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.396 9.408 3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.825 6.659 2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.815 9.240 0.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.361 7.038 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.379 8.308 -0.790 1.00 0.00 H new ATOM 605 N PHE A 44 -7.210 6.783 5.512 1.00 0.00 N ATOM 606 CA PHE A 44 -8.363 6.005 5.950 1.00 0.00 C ATOM 607 C PHE A 44 -8.877 5.113 4.824 1.00 0.00 C ATOM 608 O PHE A 44 -9.225 5.595 3.746 1.00 0.00 O ATOM 609 CB PHE A 44 -9.479 6.935 6.430 1.00 0.00 C ATOM 610 CG PHE A 44 -9.100 7.757 7.629 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.327 7.283 8.911 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.518 9.005 7.474 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.979 8.037 10.016 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.168 9.763 8.575 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.400 9.279 9.847 1.00 0.00 C ATOM 0 H PHE A 44 -7.184 6.970 4.510 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.048 5.369 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.760 7.603 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.359 6.339 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.781 6.313 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.336 9.390 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.160 7.655 11.010 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.713 10.733 8.441 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.129 9.871 10.709 1.00 0.00 H new ATOM 625 N ARG A 45 -8.922 3.810 5.083 1.00 0.00 N ATOM 626 CA ARG A 45 -9.392 2.850 4.091 1.00 0.00 C ATOM 627 C ARG A 45 -10.880 2.565 4.273 1.00 0.00 C ATOM 628 O ARG A 45 -11.294 1.987 5.277 1.00 0.00 O ATOM 629 CB ARG A 45 -8.596 1.548 4.194 1.00 0.00 C ATOM 630 CG ARG A 45 -9.009 0.500 3.173 1.00 0.00 C ATOM 631 CD ARG A 45 -8.764 -0.909 3.691 1.00 0.00 C ATOM 632 NE ARG A 45 -9.397 -1.133 4.988 1.00 0.00 N ATOM 633 CZ ARG A 45 -9.350 -2.289 5.639 1.00 0.00 C ATOM 634 NH1 ARG A 45 -8.703 -3.322 5.117 1.00 0.00 N ATOM 635 NH2 ARG A 45 -9.951 -2.415 6.816 1.00 0.00 N ATOM 0 H ARG A 45 -8.639 3.395 5.971 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.241 3.283 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.536 1.769 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.718 1.135 5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.065 0.622 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.451 0.651 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.147 -1.632 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.691 -1.082 3.776 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.903 -0.358 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.240 -3.230 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.669 -4.209 5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.450 -1.623 7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.914 -3.304 7.315 1.00 0.00 H new ATOM 649 N GLY A 46 -11.680 2.976 3.294 1.00 0.00 N ATOM 650 CA GLY A 46 -13.113 2.757 3.366 1.00 0.00 C ATOM 651 C GLY A 46 -13.851 3.936 3.968 1.00 0.00 C ATOM 652 O GLY A 46 -14.856 3.763 4.657 1.00 0.00 O ATOM 0 H GLY A 46 -11.362 3.457 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.498 2.564 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.312 1.866 3.961 1.00 0.00 H new ATOM 656 N ALA A 47 -13.350 5.140 3.710 1.00 0.00 N ATOM 657 CA ALA A 47 -13.969 6.353 4.231 1.00 0.00 C ATOM 658 C ALA A 47 -15.484 6.203 4.317 1.00 0.00 C ATOM 659 O ALA A 47 -16.114 5.646 3.419 1.00 0.00 O ATOM 660 CB ALA A 47 -13.602 7.547 3.362 1.00 0.00 C ATOM 0 H ALA A 47 -12.517 5.301 3.143 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.590 6.521 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.071 8.446 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.519 7.674 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.953 7.378 2.344 1.00 0.00 H new ATOM 690 N ARG A 51 -14.622 3.062 7.954 1.00 0.00 N ATOM 691 CA ARG A 51 -13.243 3.441 7.672 1.00 0.00 C ATOM 692 C ARG A 51 -12.313 2.983 8.791 1.00 0.00 C ATOM 693 O ARG A 51 -12.716 2.899 9.951 1.00 0.00 O ATOM 694 CB ARG A 51 -13.135 4.957 7.493 1.00 0.00 C ATOM 695 CG ARG A 51 -13.422 5.742 8.762 1.00 0.00 C ATOM 696 CD ARG A 51 -13.689 7.209 8.461 1.00 0.00 C ATOM 697 NE ARG A 51 -12.886 7.692 7.341 1.00 0.00 N ATOM 698 CZ ARG A 51 -13.010 8.907 6.818 1.00 0.00 C ATOM 699 NH1 ARG A 51 -13.899 9.758 7.313 1.00 0.00 N ATOM 700 NH2 ARG A 51 -12.243 9.274 5.800 1.00 0.00 N ATOM 0 HA ARG A 51 -12.940 2.950 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.132 5.202 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.830 5.273 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.284 5.311 9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.575 5.657 9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.746 7.346 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.472 7.806 9.347 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.192 7.062 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.489 9.480 8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.992 10.690 6.910 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.557 8.623 5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.339 10.207 5.399 1.00 0.00 H new ATOM 714 N GLU A 52 -11.067 2.687 8.435 1.00 0.00 N ATOM 715 CA GLU A 52 -10.080 2.236 9.409 1.00 0.00 C ATOM 716 C GLU A 52 -8.784 3.031 9.280 1.00 0.00 C ATOM 717 O GLU A 52 -7.994 2.806 8.362 1.00 0.00 O ATOM 718 CB GLU A 52 -9.797 0.743 9.228 1.00 0.00 C ATOM 719 CG GLU A 52 -8.850 0.172 10.271 1.00 0.00 C ATOM 720 CD GLU A 52 -8.832 -1.344 10.274 1.00 0.00 C ATOM 721 OE1 GLU A 52 -8.957 -1.940 9.183 1.00 0.00 O ATOM 722 OE2 GLU A 52 -8.693 -1.934 11.365 1.00 0.00 O ATOM 0 H GLU A 52 -10.717 2.751 7.479 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.489 2.402 10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.739 0.196 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.374 0.580 8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.842 0.543 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.143 0.530 11.258 1.00 0.00 H new ATOM 729 N LEU A 53 -8.573 3.961 10.204 1.00 0.00 N ATOM 730 CA LEU A 53 -7.373 4.791 10.194 1.00 0.00 C ATOM 731 C LEU A 53 -6.156 3.983 9.756 1.00 0.00 C ATOM 732 O LEU A 53 -5.794 2.993 10.392 1.00 0.00 O ATOM 733 CB LEU A 53 -7.130 5.388 11.581 1.00 0.00 C ATOM 734 CG LEU A 53 -5.919 6.313 11.712 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.136 7.591 10.917 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.647 6.632 13.174 1.00 0.00 C ATOM 0 H LEU A 53 -9.217 4.160 10.970 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.526 5.599 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.020 5.944 11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.015 4.570 12.292 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.048 5.800 11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.264 8.237 11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.281 7.345 9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.018 8.108 11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.782 7.291 13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.517 7.125 13.607 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.447 5.708 13.717 1.00 0.00 H new ATOM 748 N ILE A 54 -5.528 4.413 8.666 1.00 0.00 N ATOM 749 CA ILE A 54 -4.349 3.731 8.146 1.00 0.00 C ATOM 750 C ILE A 54 -3.068 4.375 8.664 1.00 0.00 C ATOM 751 O ILE A 54 -2.106 3.684 9.002 1.00 0.00 O ATOM 752 CB ILE A 54 -4.328 3.740 6.606 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.509 2.938 6.053 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.012 3.178 6.091 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.625 1.550 6.642 1.00 0.00 C ATOM 0 H ILE A 54 -5.816 5.230 8.127 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.401 2.700 8.495 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.420 4.770 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.432 3.485 6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.408 2.857 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.013 3.191 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.187 3.787 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.892 2.153 6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.483 1.040 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.718 0.986 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.758 1.623 7.721 1.00 0.00 H new ATOM 767 N TYR A 55 -3.062 5.702 8.726 1.00 0.00 N ATOM 768 CA TYR A 55 -1.899 6.440 9.203 1.00 0.00 C ATOM 769 C TYR A 55 -2.312 7.779 9.804 1.00 0.00 C ATOM 770 O TYR A 55 -3.289 8.390 9.373 1.00 0.00 O ATOM 771 CB TYR A 55 -0.908 6.665 8.060 1.00 0.00 C ATOM 772 CG TYR A 55 0.389 7.307 8.500 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.301 6.609 9.283 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.701 8.610 8.135 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.487 7.192 9.688 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.885 9.200 8.534 1.00 0.00 C ATOM 777 CZ TYR A 55 2.774 8.487 9.310 1.00 0.00 C ATOM 778 OH TYR A 55 3.953 9.071 9.711 1.00 0.00 O ATOM 0 H TYR A 55 -3.850 6.289 8.452 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.418 5.847 9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.688 5.708 7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.376 7.294 7.303 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.079 5.595 9.580 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.006 9.172 7.529 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.185 6.637 10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.113 10.214 8.240 1.00 0.00 H new ATOM 0 HH TYR A 55 4.002 9.984 9.359 1.00 0.00 H new ATOM 788 N ASN A 56 -1.559 8.230 10.803 1.00 0.00 N ATOM 789 CA ASN A 56 -1.846 9.498 11.464 1.00 0.00 C ATOM 790 C ASN A 56 -0.585 10.348 11.582 1.00 0.00 C ATOM 791 O ASN A 56 0.291 10.065 12.398 1.00 0.00 O ATOM 792 CB ASN A 56 -2.439 9.249 12.853 1.00 0.00 C ATOM 793 CG ASN A 56 -3.310 10.398 13.324 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.417 10.189 13.821 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.813 11.620 13.168 1.00 0.00 N ATOM 0 H ASN A 56 -0.746 7.736 11.172 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.572 10.040 10.857 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.029 8.333 12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.631 9.093 13.567 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.354 12.432 13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.891 11.746 12.751 1.00 0.00 H new ATOM 802 N GLN A 57 -0.502 11.390 10.761 1.00 0.00 N ATOM 803 CA GLN A 57 0.652 12.281 10.773 1.00 0.00 C ATOM 804 C GLN A 57 0.768 13.004 12.111 1.00 0.00 C ATOM 805 O GLN A 57 1.772 12.878 12.812 1.00 0.00 O ATOM 806 CB GLN A 57 0.548 13.300 9.637 1.00 0.00 C ATOM 807 CG GLN A 57 1.891 13.864 9.200 1.00 0.00 C ATOM 808 CD GLN A 57 2.273 15.118 9.962 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.942 15.268 11.139 1.00 0.00 O ATOM 810 NE2 GLN A 57 2.974 16.026 9.294 1.00 0.00 N ATOM 0 H GLN A 57 -1.220 11.638 10.080 1.00 0.00 H new ATOM 0 HA GLN A 57 1.547 11.676 10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.065 12.829 8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.095 14.121 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.662 13.107 9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.857 14.087 8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.226 15.860 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.260 16.890 9.755 1.00 0.00 H new ATOM 819 N LYS A 58 -0.266 13.761 12.460 1.00 0.00 N ATOM 820 CA LYS A 58 -0.282 14.504 13.715 1.00 0.00 C ATOM 821 C LYS A 58 0.482 13.754 14.801 1.00 0.00 C ATOM 822 O LYS A 58 1.406 14.293 15.407 1.00 0.00 O ATOM 823 CB LYS A 58 -1.723 14.751 14.167 1.00 0.00 C ATOM 824 CG LYS A 58 -1.831 15.324 15.570 1.00 0.00 C ATOM 825 CD LYS A 58 -1.780 16.842 15.557 1.00 0.00 C ATOM 826 CE LYS A 58 -0.354 17.354 15.682 1.00 0.00 C ATOM 827 NZ LYS A 58 -0.295 18.842 15.678 1.00 0.00 N ATOM 0 H LYS A 58 -1.105 13.877 11.891 1.00 0.00 H new ATOM 0 HA LYS A 58 0.209 15.463 13.547 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.202 15.435 13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.274 13.812 14.124 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.764 14.994 16.028 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.019 14.937 16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.221 17.214 14.632 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.381 17.234 16.377 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.088 16.976 16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.245 16.965 14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.694 19.150 15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.693 19.203 14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.845 19.213 16.479 1.00 0.00 H new ATOM 841 N GLU A 59 0.089 12.506 15.040 1.00 0.00 N ATOM 842 CA GLU A 59 0.738 11.683 16.053 1.00 0.00 C ATOM 843 C GLU A 59 0.205 10.253 16.016 1.00 0.00 C ATOM 844 O GLU A 59 -0.831 9.981 15.412 1.00 0.00 O ATOM 845 CB GLU A 59 0.523 12.282 17.444 1.00 0.00 C ATOM 846 CG GLU A 59 -0.940 12.396 17.839 1.00 0.00 C ATOM 847 CD GLU A 59 -1.129 12.575 19.333 1.00 0.00 C ATOM 848 OE1 GLU A 59 -0.591 11.751 20.101 1.00 0.00 O ATOM 849 OE2 GLU A 59 -1.814 13.539 19.733 1.00 0.00 O ATOM 0 H GLU A 59 -0.675 12.044 14.546 1.00 0.00 H new ATOM 0 HA GLU A 59 1.806 11.661 15.836 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.042 11.667 18.179 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.978 13.272 17.478 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.389 13.241 17.316 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.471 11.501 17.514 1.00 0.00 H new ATOM 856 N GLY A 60 0.923 9.343 16.667 1.00 0.00 N ATOM 857 CA GLY A 60 0.508 7.952 16.696 1.00 0.00 C ATOM 858 C GLY A 60 1.637 7.003 16.349 1.00 0.00 C ATOM 859 O GLY A 60 2.321 7.181 15.341 1.00 0.00 O ATOM 0 H GLY A 60 1.785 9.544 17.175 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.127 7.711 17.688 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.313 7.806 15.994 1.00 0.00 H new ATOM 863 N HIS A 61 1.835 5.990 17.188 1.00 0.00 N ATOM 864 CA HIS A 61 2.891 5.009 16.966 1.00 0.00 C ATOM 865 C HIS A 61 2.551 4.102 15.787 1.00 0.00 C ATOM 866 O HIS A 61 1.623 3.295 15.859 1.00 0.00 O ATOM 867 CB HIS A 61 3.109 4.169 18.225 1.00 0.00 C ATOM 868 CG HIS A 61 4.462 3.531 18.292 1.00 0.00 C ATOM 869 ND1 HIS A 61 4.692 2.215 17.951 1.00 0.00 N ATOM 870 CD2 HIS A 61 5.662 4.036 18.663 1.00 0.00 C ATOM 871 CE1 HIS A 61 5.973 1.938 18.111 1.00 0.00 C ATOM 872 NE2 HIS A 61 6.585 3.026 18.541 1.00 0.00 N ATOM 0 H HIS A 61 1.278 5.828 18.027 1.00 0.00 H new ATOM 0 HA HIS A 61 3.810 5.547 16.734 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.971 4.801 19.102 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.347 3.391 18.269 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.857 5.045 18.994 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.441 0.983 17.922 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.581 3.104 18.749 1.00 0.00 H new ATOM 881 N PHE A 62 3.306 4.240 14.703 1.00 0.00 N ATOM 882 CA PHE A 62 3.084 3.434 13.508 1.00 0.00 C ATOM 883 C PHE A 62 4.403 2.900 12.958 1.00 0.00 C ATOM 884 O PHE A 62 5.030 3.502 12.086 1.00 0.00 O ATOM 885 CB PHE A 62 2.368 4.260 12.437 1.00 0.00 C ATOM 886 CG PHE A 62 1.190 5.030 12.961 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.046 4.371 13.381 1.00 0.00 C ATOM 888 CD2 PHE A 62 1.227 6.413 13.034 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.039 5.078 13.863 1.00 0.00 C ATOM 890 CE2 PHE A 62 0.145 7.126 13.515 1.00 0.00 C ATOM 891 CZ PHE A 62 -0.989 6.457 13.931 1.00 0.00 C ATOM 0 H PHE A 62 4.078 4.903 14.627 1.00 0.00 H new ATOM 0 HA PHE A 62 2.457 2.586 13.783 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.078 4.957 11.992 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.032 3.595 11.641 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.002 3.293 13.331 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.112 6.941 12.711 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.926 4.553 14.186 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.186 8.204 13.565 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.836 7.011 14.309 1.00 0.00 H new ATOM 901 N PRO A 63 4.836 1.743 13.480 1.00 0.00 N ATOM 902 CA PRO A 63 6.084 1.101 13.057 1.00 0.00 C ATOM 903 C PRO A 63 5.998 0.544 11.640 1.00 0.00 C ATOM 904 O PRO A 63 6.893 0.762 10.822 1.00 0.00 O ATOM 905 CB PRO A 63 6.260 -0.034 14.068 1.00 0.00 C ATOM 906 CG PRO A 63 4.880 -0.338 14.541 1.00 0.00 C ATOM 907 CD PRO A 63 4.139 0.971 14.522 1.00 0.00 C ATOM 0 HA PRO A 63 6.917 1.804 13.036 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.722 -0.907 13.607 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.904 0.268 14.894 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.397 -1.069 13.893 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.896 -0.763 15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.085 0.832 14.282 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.182 1.471 15.489 1.00 0.00 H new ATOM 915 N ARG A 64 4.918 -0.175 11.356 1.00 0.00 N ATOM 916 CA ARG A 64 4.716 -0.764 10.038 1.00 0.00 C ATOM 917 C ARG A 64 4.821 0.297 8.947 1.00 0.00 C ATOM 918 O ARG A 64 5.472 0.088 7.923 1.00 0.00 O ATOM 919 CB ARG A 64 3.351 -1.452 9.966 1.00 0.00 C ATOM 920 CG ARG A 64 3.264 -2.720 10.799 1.00 0.00 C ATOM 921 CD ARG A 64 1.836 -3.001 11.239 1.00 0.00 C ATOM 922 NE ARG A 64 0.929 -3.135 10.102 1.00 0.00 N ATOM 923 CZ ARG A 64 -0.356 -3.450 10.220 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.883 -3.661 11.418 1.00 0.00 N ATOM 925 NH2 ARG A 64 -1.117 -3.553 9.138 1.00 0.00 N ATOM 0 H ARG A 64 4.168 -0.364 12.021 1.00 0.00 H new ATOM 0 HA ARG A 64 5.498 -1.506 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.584 -0.754 10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.130 -1.694 8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.640 -3.563 10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.904 -2.625 11.676 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.813 -3.916 11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.490 -2.194 11.885 1.00 0.00 H new ATOM 0 HE ARG A 64 1.303 -2.978 9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.301 -3.582 12.252 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.870 -3.903 11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.715 -3.390 8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.104 -3.795 9.230 1.00 0.00 H new ATOM 939 N VAL A 65 4.174 1.436 9.172 1.00 0.00 N ATOM 940 CA VAL A 65 4.195 2.531 8.209 1.00 0.00 C ATOM 941 C VAL A 65 5.564 3.201 8.168 1.00 0.00 C ATOM 942 O VAL A 65 6.140 3.527 9.207 1.00 0.00 O ATOM 943 CB VAL A 65 3.126 3.590 8.540 1.00 0.00 C ATOM 944 CG1 VAL A 65 2.993 4.588 7.400 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.791 2.924 8.836 1.00 0.00 C ATOM 0 H VAL A 65 3.629 1.625 10.013 1.00 0.00 H new ATOM 0 HA VAL A 65 3.977 2.098 7.233 1.00 0.00 H new ATOM 0 HB VAL A 65 3.440 4.133 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.234 5.328 7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.948 5.088 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.702 4.064 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.047 3.687 9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.467 2.355 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.900 2.253 9.688 1.00 0.00 H new ATOM 955 N THR A 66 6.080 3.406 6.961 1.00 0.00 N ATOM 956 CA THR A 66 7.382 4.037 6.783 1.00 0.00 C ATOM 957 C THR A 66 7.272 5.294 5.927 1.00 0.00 C ATOM 958 O THR A 66 6.913 5.227 4.751 1.00 0.00 O ATOM 959 CB THR A 66 8.390 3.073 6.131 1.00 0.00 C ATOM 960 OG1 THR A 66 8.474 1.863 6.893 1.00 0.00 O ATOM 961 CG2 THR A 66 9.767 3.713 6.033 1.00 0.00 C ATOM 0 H THR A 66 5.616 3.144 6.091 1.00 0.00 H new ATOM 0 HA THR A 66 7.740 4.307 7.777 1.00 0.00 H new ATOM 0 HB THR A 66 8.041 2.845 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.116 1.254 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.462 3.013 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.706 4.618 5.428 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.122 3.968 7.032 1.00 0.00 H new ATOM 969 N THR A 67 7.583 6.440 6.524 1.00 0.00 N ATOM 970 CA THR A 67 7.518 7.713 5.816 1.00 0.00 C ATOM 971 C THR A 67 8.516 7.752 4.664 1.00 0.00 C ATOM 972 O THR A 67 9.728 7.738 4.879 1.00 0.00 O ATOM 973 CB THR A 67 7.796 8.896 6.762 1.00 0.00 C ATOM 974 OG1 THR A 67 9.063 8.722 7.406 1.00 0.00 O ATOM 975 CG2 THR A 67 6.701 9.020 7.810 1.00 0.00 C ATOM 0 H THR A 67 7.882 6.513 7.496 1.00 0.00 H new ATOM 0 HA THR A 67 6.507 7.804 5.420 1.00 0.00 H new ATOM 0 HB THR A 67 7.814 9.810 6.169 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.710 8.364 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.919 9.862 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.742 9.183 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.655 8.104 8.399 1.00 0.00 H new ATOM 983 N VAL A 68 7.998 7.803 3.441 1.00 0.00 N ATOM 984 CA VAL A 68 8.844 7.847 2.254 1.00 0.00 C ATOM 985 C VAL A 68 9.645 9.143 2.197 1.00 0.00 C ATOM 986 O VAL A 68 10.834 9.136 1.878 1.00 0.00 O ATOM 987 CB VAL A 68 8.011 7.714 0.965 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.904 7.817 -0.261 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.238 6.404 0.964 1.00 0.00 C ATOM 0 H VAL A 68 6.997 7.815 3.246 1.00 0.00 H new ATOM 0 HA VAL A 68 9.530 7.002 2.323 1.00 0.00 H new ATOM 0 HB VAL A 68 7.293 8.533 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.298 7.721 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.408 8.784 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.648 7.020 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.655 6.326 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.937 5.569 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.568 6.376 1.823 1.00 0.00 H new ATOM 999 N SER A 69 8.986 10.253 2.511 1.00 0.00 N ATOM 1000 CA SER A 69 9.635 11.559 2.492 1.00 0.00 C ATOM 1001 C SER A 69 9.583 12.211 3.871 1.00 0.00 C ATOM 1002 O SER A 69 8.615 12.043 4.612 1.00 0.00 O ATOM 1003 CB SER A 69 8.969 12.469 1.459 1.00 0.00 C ATOM 1004 OG SER A 69 7.586 12.620 1.729 1.00 0.00 O ATOM 0 H SER A 69 8.003 10.275 2.782 1.00 0.00 H new ATOM 0 HA SER A 69 10.680 11.414 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.453 13.446 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.105 12.052 0.461 1.00 0.00 H new ATOM 0 HG SER A 69 7.129 12.945 0.925 1.00 0.00 H new ATOM 1010 N GLU A 70 10.632 12.956 4.206 1.00 0.00 N ATOM 1011 CA GLU A 70 10.706 13.632 5.496 1.00 0.00 C ATOM 1012 C GLU A 70 9.619 14.697 5.615 1.00 0.00 C ATOM 1013 O GLU A 70 9.537 15.612 4.794 1.00 0.00 O ATOM 1014 CB GLU A 70 12.084 14.272 5.682 1.00 0.00 C ATOM 1015 CG GLU A 70 12.338 14.768 7.096 1.00 0.00 C ATOM 1016 CD GLU A 70 12.323 13.648 8.119 1.00 0.00 C ATOM 1017 OE1 GLU A 70 13.368 12.988 8.292 1.00 0.00 O ATOM 1018 OE2 GLU A 70 11.264 13.433 8.746 1.00 0.00 O ATOM 0 H GLU A 70 11.441 13.106 3.603 1.00 0.00 H new ATOM 0 HA GLU A 70 10.549 12.888 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.852 13.545 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.184 15.108 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.303 15.275 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.580 15.506 7.360 1.00 0.00 H new ATOM 1025 N LEU A 71 8.786 14.570 6.642 1.00 0.00 N ATOM 1026 CA LEU A 71 7.703 15.520 6.870 1.00 0.00 C ATOM 1027 C LEU A 71 8.183 16.704 7.703 1.00 0.00 C ATOM 1028 O LEU A 71 7.833 17.853 7.430 1.00 0.00 O ATOM 1029 CB LEU A 71 6.531 14.830 7.571 1.00 0.00 C ATOM 1030 CG LEU A 71 5.953 13.604 6.862 1.00 0.00 C ATOM 1031 CD1 LEU A 71 4.777 13.041 7.644 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.532 13.958 5.443 1.00 0.00 C ATOM 0 H LEU A 71 8.840 13.819 7.330 1.00 0.00 H new ATOM 0 HA LEU A 71 7.370 15.892 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.855 14.529 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.732 15.559 7.702 1.00 0.00 H new ATOM 0 HG LEU A 71 6.728 12.839 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.379 12.169 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.109 12.749 8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.999 13.800 7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.123 13.074 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.773 14.740 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.398 14.314 4.885 1.00 0.00 H new ATOM 1118 N ASN A 76 6.720 20.664 2.412 1.00 0.00 N ATOM 1119 CA ASN A 76 6.566 19.292 1.941 1.00 0.00 C ATOM 1120 C ASN A 76 5.153 19.054 1.415 1.00 0.00 C ATOM 1121 O ASN A 76 4.173 19.504 2.010 1.00 0.00 O ATOM 1122 CB ASN A 76 6.876 18.306 3.069 1.00 0.00 C ATOM 1123 CG ASN A 76 7.349 16.963 2.548 1.00 0.00 C ATOM 1124 OD1 ASN A 76 8.416 16.861 1.942 1.00 0.00 O ATOM 1125 ND2 ASN A 76 6.556 15.924 2.782 1.00 0.00 N ATOM 0 HA ASN A 76 7.270 19.132 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.641 18.731 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.984 18.163 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.823 14.995 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.680 16.055 3.288 1.00 0.00 H new ATOM 1132 N LEU A 77 5.057 18.343 0.297 1.00 0.00 N ATOM 1133 CA LEU A 77 3.764 18.043 -0.309 1.00 0.00 C ATOM 1134 C LEU A 77 3.598 16.542 -0.523 1.00 0.00 C ATOM 1135 O LEU A 77 2.491 16.011 -0.436 1.00 0.00 O ATOM 1136 CB LEU A 77 3.622 18.779 -1.643 1.00 0.00 C ATOM 1137 CG LEU A 77 3.710 20.304 -1.581 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.997 20.879 -2.959 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.425 20.890 -1.014 1.00 0.00 C ATOM 0 H LEU A 77 5.858 17.964 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 77 2.983 18.382 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.397 18.418 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.663 18.508 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 77 4.532 20.574 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.056 21.966 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.944 20.485 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.197 20.599 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.506 21.976 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.586 20.610 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.262 20.504 -0.008 1.00 0.00 H new ATOM 1151 N ASP A 78 4.706 15.863 -0.802 1.00 0.00 N ATOM 1152 CA ASP A 78 4.684 14.422 -1.025 1.00 0.00 C ATOM 1153 C ASP A 78 4.413 13.675 0.277 1.00 0.00 C ATOM 1154 O ASP A 78 5.341 13.314 1.001 1.00 0.00 O ATOM 1155 CB ASP A 78 6.010 13.958 -1.629 1.00 0.00 C ATOM 1156 CG ASP A 78 5.985 13.947 -3.144 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.249 13.117 -3.719 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.701 14.766 -3.757 1.00 0.00 O ATOM 0 H ASP A 78 5.630 16.288 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 78 3.878 14.199 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.811 14.614 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.241 12.957 -1.265 1.00 0.00 H new ATOM 1163 N PHE A 79 3.137 13.447 0.568 1.00 0.00 N ATOM 1164 CA PHE A 79 2.744 12.744 1.784 1.00 0.00 C ATOM 1165 C PHE A 79 2.536 11.258 1.510 1.00 0.00 C ATOM 1166 O PHE A 79 1.595 10.648 2.018 1.00 0.00 O ATOM 1167 CB PHE A 79 1.463 13.353 2.359 1.00 0.00 C ATOM 1168 CG PHE A 79 1.589 14.813 2.689 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.124 15.218 3.902 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.174 15.779 1.788 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.240 16.561 4.209 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.288 17.123 2.089 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.823 17.514 3.301 1.00 0.00 C ATOM 0 H PHE A 79 2.357 13.739 -0.021 1.00 0.00 H new ATOM 0 HA PHE A 79 3.548 12.852 2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.653 13.219 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.184 12.808 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.454 14.477 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.756 15.479 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.656 16.864 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.959 17.866 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.915 18.564 3.538 1.00 0.00 H new ATOM 1183 N SER A 80 3.421 10.681 0.703 1.00 0.00 N ATOM 1184 CA SER A 80 3.332 9.267 0.357 1.00 0.00 C ATOM 1185 C SER A 80 3.868 8.397 1.489 1.00 0.00 C ATOM 1186 O SER A 80 4.913 8.689 2.070 1.00 0.00 O ATOM 1187 CB SER A 80 4.110 8.986 -0.930 1.00 0.00 C ATOM 1188 OG SER A 80 3.970 7.632 -1.325 1.00 0.00 O ATOM 0 H SER A 80 4.208 11.171 0.277 1.00 0.00 H new ATOM 0 HA SER A 80 2.282 9.021 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.751 9.639 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.165 9.217 -0.779 1.00 0.00 H new ATOM 0 HG SER A 80 4.475 7.478 -2.151 1.00 0.00 H new ATOM 1194 N ILE A 81 3.144 7.326 1.797 1.00 0.00 N ATOM 1195 CA ILE A 81 3.545 6.412 2.859 1.00 0.00 C ATOM 1196 C ILE A 81 3.781 5.007 2.314 1.00 0.00 C ATOM 1197 O ILE A 81 3.364 4.683 1.202 1.00 0.00 O ATOM 1198 CB ILE A 81 2.488 6.347 3.976 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.094 6.141 3.378 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.528 7.613 4.818 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.090 5.585 4.363 1.00 0.00 C ATOM 0 H ILE A 81 2.276 7.070 1.326 1.00 0.00 H new ATOM 0 HA ILE A 81 4.475 6.799 3.274 1.00 0.00 H new ATOM 0 HB ILE A 81 2.715 5.498 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.727 7.094 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.169 5.464 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.775 7.552 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.515 7.719 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.323 8.477 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.875 5.465 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.435 4.617 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.014 6.272 5.203 1.00 0.00 H new ATOM 1213 N SER A 82 4.450 4.175 3.107 1.00 0.00 N ATOM 1214 CA SER A 82 4.743 2.805 2.704 1.00 0.00 C ATOM 1215 C SER A 82 4.431 1.828 3.833 1.00 0.00 C ATOM 1216 O SER A 82 5.108 1.815 4.862 1.00 0.00 O ATOM 1217 CB SER A 82 6.211 2.674 2.292 1.00 0.00 C ATOM 1218 OG SER A 82 6.407 3.110 0.958 1.00 0.00 O ATOM 0 H SER A 82 4.799 4.426 4.032 1.00 0.00 H new ATOM 0 HA SER A 82 4.111 2.561 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.835 3.262 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.528 1.636 2.389 1.00 0.00 H new ATOM 0 HG SER A 82 7.353 3.018 0.719 1.00 0.00 H new ATOM 1224 N ILE A 83 3.402 1.012 3.634 1.00 0.00 N ATOM 1225 CA ILE A 83 3.000 0.031 4.634 1.00 0.00 C ATOM 1226 C ILE A 83 3.630 -1.329 4.354 1.00 0.00 C ATOM 1227 O ILE A 83 3.342 -1.960 3.337 1.00 0.00 O ATOM 1228 CB ILE A 83 1.469 -0.125 4.687 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.798 1.245 4.809 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.067 -1.023 5.847 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.704 1.200 4.637 1.00 0.00 C ATOM 0 H ILE A 83 2.831 1.011 2.789 1.00 0.00 H new ATOM 0 HA ILE A 83 3.352 0.400 5.597 1.00 0.00 H new ATOM 0 HB ILE A 83 1.135 -0.591 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.031 1.669 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.221 1.916 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.018 -1.123 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.519 -2.006 5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.411 -0.584 6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.112 2.206 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.946 0.806 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.139 0.556 5.401 1.00 0.00 H new ATOM 1243 N SER A 84 4.489 -1.776 5.264 1.00 0.00 N ATOM 1244 CA SER A 84 5.161 -3.062 5.114 1.00 0.00 C ATOM 1245 C SER A 84 4.328 -4.185 5.724 1.00 0.00 C ATOM 1246 O SER A 84 3.490 -3.949 6.593 1.00 0.00 O ATOM 1247 CB SER A 84 6.541 -3.019 5.774 1.00 0.00 C ATOM 1248 OG SER A 84 7.081 -4.322 5.912 1.00 0.00 O ATOM 0 H SER A 84 4.736 -1.267 6.113 1.00 0.00 H new ATOM 0 HA SER A 84 5.281 -3.260 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.214 -2.404 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.464 -2.548 6.754 1.00 0.00 H new ATOM 0 HG SER A 84 7.964 -4.267 6.335 1.00 0.00 H new ATOM 1254 N ASN A 85 4.566 -5.408 5.261 1.00 0.00 N ATOM 1255 CA ASN A 85 3.837 -6.568 5.759 1.00 0.00 C ATOM 1256 C ASN A 85 2.363 -6.493 5.372 1.00 0.00 C ATOM 1257 O ASN A 85 1.481 -6.659 6.215 1.00 0.00 O ATOM 1258 CB ASN A 85 3.972 -6.667 7.280 1.00 0.00 C ATOM 1259 CG ASN A 85 3.426 -7.972 7.826 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.614 -7.979 8.751 1.00 0.00 O ATOM 1261 ND2 ASN A 85 3.870 -9.085 7.253 1.00 0.00 N ATOM 0 H ASN A 85 5.258 -5.621 4.542 1.00 0.00 H new ATOM 0 HA ASN A 85 4.269 -7.459 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.022 -6.572 7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.444 -5.833 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.538 -9.993 7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.543 -9.032 6.489 1.00 0.00 H new ATOM 1268 N ILE A 86 2.105 -6.242 4.093 1.00 0.00 N ATOM 1269 CA ILE A 86 0.739 -6.147 3.595 1.00 0.00 C ATOM 1270 C ILE A 86 -0.025 -7.446 3.831 1.00 0.00 C ATOM 1271 O ILE A 86 0.548 -8.535 3.777 1.00 0.00 O ATOM 1272 CB ILE A 86 0.710 -5.814 2.092 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.072 -4.345 1.865 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.660 -6.124 1.506 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.039 -3.378 2.403 1.00 0.00 C ATOM 0 H ILE A 86 2.824 -6.101 3.383 1.00 0.00 H new ATOM 0 HA ILE A 86 0.258 -5.340 4.148 1.00 0.00 H new ATOM 0 HB ILE A 86 1.449 -6.434 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.032 -4.139 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.199 -4.171 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.664 -5.883 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.881 -7.183 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.417 -5.528 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.361 -2.355 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.918 -3.557 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.071 -3.524 3.478 1.00 0.00 H new ATOM 1287 N THR A 87 -1.323 -7.324 4.092 1.00 0.00 N ATOM 1288 CA THR A 87 -2.166 -8.487 4.336 1.00 0.00 C ATOM 1289 C THR A 87 -3.336 -8.532 3.361 1.00 0.00 C ATOM 1290 O THR A 87 -3.795 -7.507 2.857 1.00 0.00 O ATOM 1291 CB THR A 87 -2.712 -8.493 5.777 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.378 -7.256 6.053 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.588 -8.705 6.780 1.00 0.00 C ATOM 0 H THR A 87 -1.813 -6.431 4.140 1.00 0.00 H new ATOM 0 HA THR A 87 -1.540 -9.367 4.189 1.00 0.00 H new ATOM 0 HB THR A 87 -3.421 -9.316 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.729 -6.603 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.997 -8.706 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.102 -9.661 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.859 -7.901 6.684 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.833 -9.747 3.087 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.959 -9.955 2.171 1.00 0.00 C ATOM 1303 C PRO A 88 -6.274 -9.437 2.742 1.00 0.00 C ATOM 1304 O PRO A 88 -7.320 -9.530 2.100 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.008 -11.476 2.008 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.387 -12.010 3.252 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.336 -11.013 3.652 1.00 0.00 C ATOM 0 HA PRO A 88 -4.826 -9.417 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.033 -11.829 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.460 -11.797 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.131 -12.129 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.947 -12.992 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.229 -10.955 4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.358 -11.276 3.249 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.215 -8.893 3.953 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.402 -8.359 4.610 1.00 0.00 C ATOM 1317 C ALA A 89 -7.311 -6.844 4.760 1.00 0.00 C ATOM 1318 O ALA A 89 -8.277 -6.191 5.156 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.594 -9.015 5.969 1.00 0.00 C ATOM 0 H ALA A 89 -5.358 -8.810 4.499 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.266 -8.585 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.484 -8.606 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.713 -10.091 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.723 -8.818 6.594 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.145 -6.291 4.443 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.929 -4.853 4.543 1.00 0.00 C ATOM 1327 C ASP A 90 -6.302 -4.155 3.238 1.00 0.00 C ATOM 1328 O ASP A 90 -6.534 -2.947 3.214 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.469 -4.558 4.894 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.212 -4.607 6.387 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.165 -4.379 7.161 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.057 -4.872 6.782 1.00 0.00 O ATOM 0 H ASP A 90 -5.335 -6.817 4.115 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.570 -4.469 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.825 -5.281 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.199 -3.573 4.514 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.355 -4.925 2.156 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.700 -4.381 0.848 1.00 0.00 C ATOM 1339 C ALA A 91 -7.990 -3.571 0.914 1.00 0.00 C ATOM 1340 O ALA A 91 -8.635 -3.496 1.959 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.831 -5.503 -0.172 1.00 0.00 C ATOM 0 H ALA A 91 -6.164 -5.927 2.159 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.897 -3.713 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.089 -5.083 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.885 -6.038 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.614 -6.193 0.144 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.360 -2.964 -0.210 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.571 -2.166 -0.257 1.00 0.00 C ATOM 1349 C GLY A 92 -9.385 -0.875 -1.031 1.00 0.00 C ATOM 1350 O GLY A 92 -9.183 -0.894 -2.246 1.00 0.00 O ATOM 0 H GLY A 92 -7.843 -3.011 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.369 -2.749 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.889 -1.934 0.759 1.00 0.00 H new ATOM 1354 N THR A 93 -9.455 0.250 -0.327 1.00 0.00 N ATOM 1355 CA THR A 93 -9.296 1.556 -0.956 1.00 0.00 C ATOM 1356 C THR A 93 -8.838 2.600 0.055 1.00 0.00 C ATOM 1357 O THR A 93 -9.601 3.006 0.932 1.00 0.00 O ATOM 1358 CB THR A 93 -10.609 2.029 -1.608 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.358 0.902 -2.076 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.328 2.974 -2.766 1.00 0.00 C ATOM 0 H THR A 93 -9.621 0.284 0.679 1.00 0.00 H new ATOM 0 HA THR A 93 -8.535 1.445 -1.729 1.00 0.00 H new ATOM 0 HB THR A 93 -11.190 2.563 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 93 -12.192 1.211 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.270 3.295 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.784 3.845 -2.401 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.728 2.460 -3.517 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.589 3.033 -0.073 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.029 4.030 0.832 1.00 0.00 C ATOM 1370 C TYR A 94 -7.290 5.442 0.315 1.00 0.00 C ATOM 1371 O TYR A 94 -6.817 5.821 -0.756 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.525 3.808 1.001 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.177 2.484 1.644 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.533 1.283 1.042 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.495 2.434 2.853 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.218 0.071 1.626 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.175 1.227 3.443 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.538 0.048 2.826 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.222 -1.156 3.411 1.00 0.00 O ATOM 0 H TYR A 94 -6.945 2.709 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.517 3.920 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.046 3.865 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.113 4.616 1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.065 1.297 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.210 3.355 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.503 -0.853 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.643 1.206 4.383 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.991 -1.761 3.350 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.047 6.216 1.086 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.374 7.585 0.707 1.00 0.00 C ATOM 1391 C TYR A 95 -7.527 8.584 1.491 1.00 0.00 C ATOM 1392 O TYR A 95 -7.666 8.714 2.708 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.859 7.861 0.945 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.776 6.871 0.263 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.162 5.699 0.900 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.257 7.109 -1.019 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.999 4.791 0.280 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.095 6.208 -1.646 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.463 5.050 -0.993 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.298 4.149 -1.613 1.00 0.00 O ATOM 0 H TYR A 95 -8.445 5.918 1.977 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.155 7.704 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.055 7.846 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.095 8.865 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.802 5.494 1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.970 8.014 -1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.288 3.884 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.460 6.409 -2.642 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.534 4.482 -2.504 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.650 9.288 0.784 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.780 10.276 1.411 1.00 0.00 C ATOM 1412 C CYS A 96 -6.574 11.507 1.838 1.00 0.00 C ATOM 1413 O CYS A 96 -6.893 12.370 1.020 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.663 10.686 0.449 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.193 11.382 1.269 1.00 0.00 S ATOM 0 H CYS A 96 -6.523 9.193 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.339 9.823 2.299 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.362 9.815 -0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.055 11.421 -0.254 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.891 11.581 3.127 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.647 12.706 3.665 1.00 0.00 C ATOM 1422 C VAL A 97 -6.716 13.818 4.136 1.00 0.00 C ATOM 1423 O VAL A 97 -5.812 13.588 4.939 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.543 12.270 4.839 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.161 13.483 5.519 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.622 11.311 4.358 1.00 0.00 C ATOM 0 H VAL A 97 -6.636 10.875 3.818 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.276 13.080 2.857 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.925 11.749 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.791 13.155 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.370 14.129 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.766 14.035 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.246 11.013 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.238 11.804 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.156 10.428 3.922 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.944 15.026 3.632 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.128 16.177 4.002 1.00 0.00 C ATOM 1438 C LYS A 98 -6.802 16.991 5.102 1.00 0.00 C ATOM 1439 O LYS A 98 -7.619 17.869 4.825 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.874 17.062 2.779 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.314 18.431 3.126 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.967 18.322 3.821 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.531 19.658 4.404 1.00 0.00 C ATOM 1444 NZ LYS A 98 -2.929 20.544 3.369 1.00 0.00 N ATOM 0 H LYS A 98 -7.688 15.234 2.966 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.174 15.809 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.180 16.553 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.808 17.189 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.209 19.023 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.016 18.959 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.026 17.579 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.218 17.971 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.390 20.156 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.808 19.488 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.061 20.977 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.699 19.984 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.606 21.291 3.115 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.453 16.695 6.349 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.024 17.400 7.491 1.00 0.00 C ATOM 1460 C PHE A 99 -6.493 18.829 7.568 1.00 0.00 C ATOM 1461 O PHE A 99 -5.345 19.096 7.214 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.705 16.655 8.789 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.727 15.615 9.149 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.755 14.395 8.494 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.661 15.858 10.144 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.694 13.436 8.823 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.602 14.903 10.478 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.620 13.691 9.816 1.00 0.00 C ATOM 0 H PHE A 99 -5.777 15.972 6.595 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.105 17.439 7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.730 16.177 8.694 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.629 17.376 9.603 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.034 14.191 7.716 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.653 16.805 10.664 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.704 12.489 8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.323 15.104 11.256 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.356 12.944 10.074 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.339 19.743 8.033 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.957 21.145 8.155 1.00 0.00 C ATOM 1480 C ARG A 100 -6.815 21.543 9.621 1.00 0.00 C ATOM 1481 O ARG A 100 -7.697 21.275 10.437 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.992 22.039 7.470 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.201 22.346 8.339 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.353 22.899 7.515 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.454 23.363 8.355 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.500 24.037 7.890 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.586 24.325 6.598 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.462 24.425 8.717 1.00 0.00 N ATOM 0 H ARG A 100 -8.293 19.538 8.331 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.992 21.277 7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.516 22.976 7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.328 21.555 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.521 21.439 8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.924 23.066 9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.995 23.724 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.716 22.128 6.836 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.418 23.158 9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.848 24.029 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.390 24.843 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.399 24.206 9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -14.265 24.942 8.359 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.698 22.185 9.949 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.439 22.622 11.315 1.00 0.00 C ATOM 1504 C LYS A 101 -6.652 23.342 11.896 1.00 0.00 C ATOM 1505 O LYS A 101 -7.022 24.422 11.438 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.218 23.543 11.355 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.567 23.632 12.724 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.383 24.584 12.718 1.00 0.00 C ATOM 1509 CE LYS A 101 -2.813 26.010 13.025 1.00 0.00 C ATOM 1510 NZ LYS A 101 -2.753 26.307 14.483 1.00 0.00 N ATOM 0 H LYS A 101 -4.957 22.414 9.286 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.239 21.738 11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.482 23.187 10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.517 24.542 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.301 23.968 13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.237 22.641 13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.649 24.258 13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.894 24.552 11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.171 26.707 12.486 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.829 26.168 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.054 27.288 14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.385 25.659 14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.778 26.181 14.823 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.266 22.736 12.907 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.430 23.335 13.534 1.00 0.00 C ATOM 1526 C GLY A 102 -8.489 23.065 15.025 1.00 0.00 C ATOM 1527 O GLY A 102 -7.667 22.322 15.561 1.00 0.00 O ATOM 0 H GLY A 102 -6.979 21.841 13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.417 24.411 13.363 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.333 22.948 13.062 1.00 0.00 H new ATOM 1531 N SER A 103 -9.463 23.671 15.696 1.00 0.00 N ATOM 1532 CA SER A 103 -9.623 23.496 17.135 1.00 0.00 C ATOM 1533 C SER A 103 -11.054 23.094 17.478 1.00 0.00 C ATOM 1534 O SER A 103 -12.007 23.438 16.779 1.00 0.00 O ATOM 1535 CB SER A 103 -9.254 24.786 17.870 1.00 0.00 C ATOM 1536 OG SER A 103 -10.012 25.882 17.389 1.00 0.00 O ATOM 0 H SER A 103 -10.153 24.287 15.267 1.00 0.00 H new ATOM 0 HA SER A 103 -8.953 22.698 17.456 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.427 24.661 18.939 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.191 24.990 17.741 1.00 0.00 H new ATOM 0 HG SER A 103 -9.759 26.694 17.876 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.209 22.346 18.580 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.082 21.929 19.419 1.00 0.00 C ATOM 1544 C PRO A 104 -9.193 20.901 18.728 1.00 0.00 C ATOM 1545 O PRO A 104 -8.183 20.467 19.282 1.00 0.00 O ATOM 1546 CB PRO A 104 -10.761 21.312 20.645 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.093 20.862 20.153 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.497 21.848 19.092 1.00 0.00 C ATOM 0 HA PRO A 104 -9.420 22.762 19.656 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.182 20.477 21.040 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.861 22.040 21.450 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.038 19.852 19.747 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.822 20.840 20.963 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.085 21.374 18.306 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.105 22.654 19.503 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.576 20.515 17.516 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.813 19.538 16.748 1.00 0.00 C ATOM 1558 C ASP A 105 -8.948 19.798 15.251 1.00 0.00 C ATOM 1559 O ASP A 105 -9.770 20.609 14.823 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.282 18.120 17.076 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.454 17.685 16.218 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.372 18.505 16.007 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.453 16.524 15.758 1.00 0.00 O ATOM 0 H ASP A 105 -10.410 20.864 17.044 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.763 19.637 17.023 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.454 17.425 16.935 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.566 18.068 18.127 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.136 19.106 14.459 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.164 19.262 13.010 1.00 0.00 C ATOM 1570 C ASP A 106 -9.552 18.953 12.457 1.00 0.00 C ATOM 1571 O ASP A 106 -10.445 18.532 13.193 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.126 18.348 12.357 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.064 16.982 13.011 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.137 16.425 13.327 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.942 16.470 13.208 1.00 0.00 O ATOM 0 H ASP A 106 -7.450 18.431 14.797 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.922 20.299 12.776 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.363 18.231 11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.145 18.819 12.413 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.727 19.165 11.157 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.006 18.909 10.505 1.00 0.00 C ATOM 1582 C VAL A 107 -10.807 18.446 9.066 1.00 0.00 C ATOM 1583 O VAL A 107 -9.967 18.980 8.343 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.900 20.164 10.511 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.131 19.946 9.645 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.295 20.529 11.933 1.00 0.00 C ATOM 0 H VAL A 107 -8.999 19.514 10.534 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.498 18.119 11.072 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.333 20.995 10.092 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.751 20.843 9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.823 19.736 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.703 19.103 10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.926 21.418 11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.844 19.701 12.382 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.398 20.730 12.519 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.586 17.450 8.658 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.495 16.915 7.304 1.00 0.00 C ATOM 1598 C GLU A 108 -11.807 17.994 6.271 1.00 0.00 C ATOM 1599 O GLU A 108 -12.927 18.502 6.206 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.454 15.736 7.132 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.483 15.176 5.720 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.762 14.419 5.418 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.790 14.709 6.065 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.734 13.537 4.534 1.00 0.00 O ATOM 0 H GLU A 108 -12.287 16.997 9.245 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.474 16.569 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.168 14.943 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.459 16.053 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.372 15.993 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.630 14.512 5.579 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.808 18.340 5.465 1.00 0.00 N ATOM 1612 CA PHE A 109 -10.974 19.359 4.436 1.00 0.00 C ATOM 1613 C PHE A 109 -11.133 18.721 3.059 1.00 0.00 C ATOM 1614 O PHE A 109 -12.113 18.968 2.356 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.778 20.312 4.434 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.787 21.284 3.289 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.577 22.422 3.335 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.006 21.061 2.166 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.588 23.317 2.282 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.013 21.953 1.111 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.804 23.083 1.169 1.00 0.00 C ATOM 0 H PHE A 109 -9.875 17.929 5.505 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.879 19.923 4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.765 20.868 5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.858 19.728 4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.191 22.611 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.384 20.179 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.209 24.199 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.400 21.766 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.810 23.782 0.346 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.160 17.898 2.679 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.190 17.222 1.388 1.00 0.00 C ATOM 1633 C LYS A 110 -10.214 15.708 1.566 1.00 0.00 C ATOM 1634 O LYS A 110 -9.980 15.199 2.663 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.976 17.628 0.549 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.268 17.725 -0.938 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.696 19.128 -1.333 1.00 0.00 C ATOM 1638 CE LYS A 110 -10.996 19.527 -0.650 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.508 20.832 -1.152 1.00 0.00 N ATOM 0 H LYS A 110 -9.341 17.684 3.248 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.100 17.523 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.607 18.591 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.177 16.903 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.380 17.442 -1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.053 17.016 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.912 19.837 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.821 19.181 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.746 18.754 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.837 19.589 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.540 20.871 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.066 21.607 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.276 20.931 -2.161 1.00 0.00 H new ATOM 1653 N SER A 111 -10.496 14.993 0.482 1.00 0.00 N ATOM 1654 CA SER A 111 -10.553 13.536 0.520 1.00 0.00 C ATOM 1655 C SER A 111 -10.014 12.938 -0.776 1.00 0.00 C ATOM 1656 O SER A 111 -10.595 13.119 -1.845 1.00 0.00 O ATOM 1657 CB SER A 111 -11.990 13.067 0.754 1.00 0.00 C ATOM 1658 OG SER A 111 -12.077 11.653 0.716 1.00 0.00 O ATOM 0 H SER A 111 -10.689 15.399 -0.434 1.00 0.00 H new ATOM 0 HA SER A 111 -9.928 13.193 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.342 13.430 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.644 13.495 -0.005 1.00 0.00 H new ATOM 0 HG SER A 111 -13.005 11.378 0.870 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.899 12.222 -0.671 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.299 11.607 -1.841 1.00 0.00 C ATOM 1666 C GLY A 112 -9.260 10.690 -2.570 1.00 0.00 C ATOM 1667 O GLY A 112 -10.064 9.999 -1.946 1.00 0.00 O ATOM 0 H GLY A 112 -8.400 12.057 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.957 12.386 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.419 11.040 -1.539 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.179 10.684 -3.897 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.048 9.845 -4.712 1.00 0.00 C ATOM 1673 C ALA A 113 -10.211 8.460 -4.094 1.00 0.00 C ATOM 1674 O ALA A 113 -11.320 7.936 -4.006 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.498 9.732 -6.126 1.00 0.00 C ATOM 0 H ALA A 113 -8.520 11.251 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.031 10.314 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.157 9.102 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.439 10.724 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.503 9.289 -6.095 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.097 7.872 -3.667 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.139 6.553 -3.064 1.00 0.00 C ATOM 1683 C GLY A 114 -8.320 5.537 -3.835 1.00 0.00 C ATOM 1684 O GLY A 114 -8.780 4.988 -4.837 1.00 0.00 O ATOM 0 H GLY A 114 -8.167 8.286 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.768 6.613 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.174 6.215 -3.009 1.00 0.00 H new ATOM 1688 N THR A 115 -7.101 5.285 -3.368 1.00 0.00 N ATOM 1689 CA THR A 115 -6.215 4.330 -4.022 1.00 0.00 C ATOM 1690 C THR A 115 -6.608 2.896 -3.686 1.00 0.00 C ATOM 1691 O THR A 115 -6.569 2.488 -2.525 1.00 0.00 O ATOM 1692 CB THR A 115 -4.747 4.556 -3.616 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.323 5.863 -4.019 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.843 3.508 -4.246 1.00 0.00 C ATOM 0 H THR A 115 -6.705 5.729 -2.539 1.00 0.00 H new ATOM 0 HA THR A 115 -6.316 4.490 -5.095 1.00 0.00 H new ATOM 0 HB THR A 115 -4.676 4.469 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.048 5.842 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.811 3.689 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.150 2.516 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.919 3.567 -5.332 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.986 2.135 -4.708 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.386 0.746 -4.519 1.00 0.00 C ATOM 1704 C GLU A 116 -6.165 -0.163 -4.419 1.00 0.00 C ATOM 1705 O GLU A 116 -5.279 -0.128 -5.274 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.283 0.289 -5.672 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.652 -1.184 -5.609 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.474 -1.631 -6.802 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -9.065 -1.343 -7.946 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.526 -2.270 -6.591 1.00 0.00 O ATOM 0 H GLU A 116 -7.024 2.457 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.944 0.679 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.196 0.884 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.776 0.488 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.741 -1.781 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.213 -1.375 -4.694 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.125 -0.977 -3.370 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.012 -1.896 -3.156 1.00 0.00 C ATOM 1719 C LEU A 117 -5.372 -3.303 -3.621 1.00 0.00 C ATOM 1720 O LEU A 117 -6.385 -3.865 -3.206 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.621 -1.919 -1.677 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.339 -2.678 -1.334 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.121 -1.933 -1.858 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.230 -2.890 0.169 1.00 0.00 C ATOM 0 H LEU A 117 -6.850 -1.020 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.164 -1.545 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.513 -0.890 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.442 -2.359 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.378 -3.654 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.218 -2.488 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.194 -1.833 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.077 -0.943 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.311 -3.432 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.214 -1.923 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.086 -3.467 0.518 1.00 0.00 H new ATOM 1736 N SER A 118 -4.533 -3.869 -4.483 1.00 0.00 N ATOM 1737 CA SER A 118 -4.763 -5.210 -5.006 1.00 0.00 C ATOM 1738 C SER A 118 -3.816 -6.216 -4.357 1.00 0.00 C ATOM 1739 O SER A 118 -2.861 -6.679 -4.981 1.00 0.00 O ATOM 1740 CB SER A 118 -4.580 -5.227 -6.525 1.00 0.00 C ATOM 1741 OG SER A 118 -5.274 -6.315 -7.110 1.00 0.00 O ATOM 0 H SER A 118 -3.688 -3.419 -4.834 1.00 0.00 H new ATOM 0 HA SER A 118 -5.788 -5.495 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.942 -4.290 -6.949 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.519 -5.296 -6.766 1.00 0.00 H new ATOM 0 HG SER A 118 -5.143 -6.303 -8.081 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.089 -6.549 -3.100 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.264 -7.501 -2.365 1.00 0.00 C ATOM 1749 C VAL A 119 -3.274 -8.869 -3.036 1.00 0.00 C ATOM 1750 O VAL A 119 -4.312 -9.526 -3.114 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.742 -7.651 -0.909 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -5.163 -8.192 -0.867 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -2.797 -8.552 -0.128 1.00 0.00 C ATOM 0 H VAL A 119 -4.875 -6.174 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.248 -7.107 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.739 -6.667 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.484 -8.291 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.829 -7.505 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.195 -9.168 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.150 -8.647 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.766 -9.537 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.797 -8.118 -0.129 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.110 -9.294 -3.518 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.985 -10.585 -4.183 1.00 0.00 C ATOM 1765 C ARG A 120 -1.500 -11.655 -3.208 1.00 0.00 C ATOM 1766 O ARG A 120 -0.400 -11.561 -2.665 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.019 -10.483 -5.365 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.559 -9.660 -6.523 1.00 0.00 C ATOM 1769 CD ARG A 120 -0.539 -9.539 -7.645 1.00 0.00 C ATOM 1770 NE ARG A 120 -0.947 -8.565 -8.653 1.00 0.00 N ATOM 1771 CZ ARG A 120 -1.919 -8.780 -9.532 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -2.580 -9.929 -9.527 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -2.232 -7.844 -10.419 1.00 0.00 N ATOM 0 H ARG A 120 -1.241 -8.763 -3.460 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.970 -10.872 -4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.083 -10.042 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.786 -11.487 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.469 -10.122 -6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.831 -8.666 -6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 120 0.425 -9.247 -7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -0.401 -10.512 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 120 -0.459 -7.670 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.343 -10.651 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.326 -10.091 -10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.726 -6.958 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.979 -8.010 -11.094 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.330 -12.670 -2.991 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.986 -13.757 -2.083 1.00 0.00 C ATOM 1789 C ALA A 121 -0.576 -14.272 -2.353 1.00 0.00 C ATOM 1790 O ALA A 121 -0.080 -14.195 -3.477 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.996 -14.888 -2.208 1.00 0.00 C ATOM 0 H ALA A 121 -3.245 -12.762 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.014 -13.370 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.727 -15.693 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.990 -14.517 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.995 -15.265 -3.231 1.00 0.00 H new ATOM 1797 N LYS A 122 0.066 -14.796 -1.314 1.00 0.00 N ATOM 1798 CA LYS A 122 1.419 -15.325 -1.438 1.00 0.00 C ATOM 1799 C LYS A 122 1.608 -16.028 -2.778 1.00 0.00 C ATOM 1800 O LYS A 122 0.678 -16.608 -3.338 1.00 0.00 O ATOM 1801 CB LYS A 122 1.716 -16.296 -0.293 1.00 0.00 C ATOM 1802 CG LYS A 122 1.025 -17.640 -0.442 1.00 0.00 C ATOM 1803 CD LYS A 122 0.853 -18.330 0.901 1.00 0.00 C ATOM 1804 CE LYS A 122 -0.178 -19.446 0.826 1.00 0.00 C ATOM 1805 NZ LYS A 122 -1.534 -18.927 0.491 1.00 0.00 N ATOM 0 H LYS A 122 -0.329 -14.866 -0.376 1.00 0.00 H new ATOM 0 HA LYS A 122 2.116 -14.488 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.793 -16.455 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.408 -15.840 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.049 -17.499 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.607 -18.277 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.810 -18.738 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.547 -17.600 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.128 -20.174 0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.216 -19.971 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.255 -19.593 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.673 -18.002 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.621 -18.824 -0.540 1.00 0.00 H new