USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 961 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 122 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 126 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.3!) USER MOD Set 2.1: A 100 TYR OH : rot 180:sc= -0.214 USER MOD Set 2.2: A 104 MET CE :methyl 161:sc= -2.75 (180deg=-3.91!) USER MOD Set 3.1: A 55 GLN : amide:sc= -2.95! C(o=-2.9!,f=-1.9!) USER MOD Set 3.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 44 LYS NZ :NH3+ -159:sc= -0.0347 (180deg=-0.241) USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.000167) USER MOD Single : A 14 HIS : no HD1:sc= -3.97! C(o=-4!,f=-4.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0814 K(o=-0.081,f=-2!) USER MOD Single : A 31 HIS : no HE2:sc= -2.86 K(o=-2.9,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0143) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.7!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -4.04! C(o=-4!,f=-18!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -51:sc= 0.155 USER MOD Single : A 69 ASN : amide:sc= -1.25 K(o=-1.3,f=-3.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -6:sc= 1.09 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 176:sc= -4.06 (180deg=-4.13) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 30:sc= -2.93! USER MOD Single : A 95 GLN : amide:sc= 0.51 K(o=0.51,f=-0.031) USER MOD Single : A 98 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.27) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -115:sc= -0.416 (180deg=-1.9) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -70:sc= 0.233 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 15.884 -2.848 9.664 1.00 0.00 N ATOM 67 CA ILE A 8 14.700 -2.104 9.254 1.00 0.00 C ATOM 68 C ILE A 8 13.943 -2.837 8.152 1.00 0.00 C ATOM 69 O ILE A 8 14.334 -2.827 6.984 1.00 0.00 O ATOM 70 CB ILE A 8 15.066 -0.692 8.758 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.652 0.138 9.903 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.844 -0.004 8.169 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.665 0.414 11.016 1.00 0.00 C ATOM 0 HA ILE A 8 14.062 -2.018 10.134 1.00 0.00 H new ATOM 0 HB ILE A 8 15.820 -0.781 7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.515 -0.385 10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.014 1.086 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.119 0.992 7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.467 -0.588 7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.069 0.077 8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.149 1.006 11.793 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.812 0.964 10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.322 -0.530 11.440 1.00 0.00 H new ATOM 85 N PRO A 9 12.833 -3.488 8.529 1.00 0.00 N ATOM 86 CA PRO A 9 11.996 -4.237 7.586 1.00 0.00 C ATOM 87 C PRO A 9 11.250 -3.323 6.620 1.00 0.00 C ATOM 88 O PRO A 9 10.253 -2.701 6.986 1.00 0.00 O ATOM 89 CB PRO A 9 11.009 -4.973 8.496 1.00 0.00 C ATOM 90 CG PRO A 9 10.940 -4.142 9.731 1.00 0.00 C ATOM 91 CD PRO A 9 12.308 -3.543 9.904 1.00 0.00 C ATOM 0 HA PRO A 9 12.587 -4.898 6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.030 -5.065 8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.353 -5.983 8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.183 -3.364 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.667 -4.748 10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.259 -2.552 10.355 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.936 -4.156 10.550 1.00 0.00 H new ATOM 99 N GLU A 10 11.740 -3.247 5.387 1.00 0.00 N ATOM 100 CA GLU A 10 11.118 -2.408 4.369 1.00 0.00 C ATOM 101 C GLU A 10 10.683 -3.242 3.168 1.00 0.00 C ATOM 102 O GLU A 10 11.406 -4.134 2.721 1.00 0.00 O ATOM 103 CB GLU A 10 12.086 -1.312 3.919 1.00 0.00 C ATOM 104 CG GLU A 10 12.635 -0.477 5.063 1.00 0.00 C ATOM 105 CD GLU A 10 13.700 0.503 4.612 1.00 0.00 C ATOM 106 OE1 GLU A 10 13.335 1.588 4.114 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.899 0.185 4.757 1.00 0.00 O ATOM 0 H GLU A 10 12.565 -3.756 5.069 1.00 0.00 H new ATOM 0 HA GLU A 10 10.234 -1.945 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.917 -1.771 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.576 -0.656 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.818 0.071 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.053 -1.138 5.822 1.00 0.00 H new ATOM 114 N LEU A 11 9.496 -2.947 2.649 1.00 0.00 N ATOM 115 CA LEU A 11 8.962 -3.670 1.500 1.00 0.00 C ATOM 116 C LEU A 11 9.255 -2.922 0.203 1.00 0.00 C ATOM 117 O LEU A 11 9.115 -1.701 0.132 1.00 0.00 O ATOM 118 CB LEU A 11 7.454 -3.873 1.655 1.00 0.00 C ATOM 119 CG LEU A 11 7.019 -5.162 2.351 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.714 -4.949 3.103 1.00 0.00 C ATOM 121 CD2 LEU A 11 6.875 -6.292 1.341 1.00 0.00 C ATOM 0 H LEU A 11 8.885 -2.212 3.006 1.00 0.00 H new ATOM 0 HA LEU A 11 9.450 -4.644 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.049 -3.028 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.000 -3.848 0.664 1.00 0.00 H new ATOM 0 HG LEU A 11 7.789 -5.440 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.420 -5.878 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.850 -4.171 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.936 -4.646 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.565 -7.202 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.126 -6.022 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.832 -6.463 0.847 1.00 0.00 H new ATOM 133 N LYS A 12 9.661 -3.663 -0.823 1.00 0.00 N ATOM 134 CA LYS A 12 9.970 -3.072 -2.119 1.00 0.00 C ATOM 135 C LYS A 12 9.122 -3.701 -3.220 1.00 0.00 C ATOM 136 O LYS A 12 9.327 -4.857 -3.591 1.00 0.00 O ATOM 137 CB LYS A 12 11.456 -3.249 -2.442 1.00 0.00 C ATOM 138 CG LYS A 12 12.380 -2.743 -1.348 1.00 0.00 C ATOM 139 CD LYS A 12 12.401 -1.225 -1.293 1.00 0.00 C ATOM 140 CE LYS A 12 13.625 -0.711 -0.551 1.00 0.00 C ATOM 141 NZ LYS A 12 13.417 -0.702 0.923 1.00 0.00 N ATOM 0 H LYS A 12 9.784 -4.675 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 12 9.739 -2.008 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.658 -4.306 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.683 -2.723 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.056 -3.138 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.389 -3.116 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.393 -0.823 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.498 -0.865 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.485 -1.336 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.859 0.298 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.152 -0.121 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.481 -0.305 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.473 -1.674 1.287 1.00 0.00 H new ATOM 155 N ASP A 13 8.171 -2.932 -3.739 1.00 0.00 N ATOM 156 CA ASP A 13 7.293 -3.413 -4.799 1.00 0.00 C ATOM 157 C ASP A 13 6.378 -2.298 -5.296 1.00 0.00 C ATOM 158 O ASP A 13 5.936 -1.452 -4.518 1.00 0.00 O ATOM 159 CB ASP A 13 6.456 -4.593 -4.302 1.00 0.00 C ATOM 160 CG ASP A 13 7.168 -5.920 -4.470 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.408 -6.323 -5.627 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.486 -6.557 -3.444 1.00 0.00 O ATOM 0 H ASP A 13 7.989 -1.973 -3.443 1.00 0.00 H new ATOM 0 HA ASP A 13 7.916 -3.744 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.214 -4.445 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.512 -4.619 -4.846 1.00 0.00 H new ATOM 167 N HIS A 14 6.100 -2.302 -6.596 1.00 0.00 N ATOM 168 CA HIS A 14 5.238 -1.290 -7.196 1.00 0.00 C ATOM 169 C HIS A 14 3.840 -1.846 -7.447 1.00 0.00 C ATOM 170 O HIS A 14 3.659 -2.755 -8.258 1.00 0.00 O ATOM 171 CB HIS A 14 5.843 -0.788 -8.507 1.00 0.00 C ATOM 172 CG HIS A 14 4.852 -0.113 -9.405 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.302 -0.724 -10.513 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.310 1.126 -9.352 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.467 0.112 -11.104 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.452 1.241 -10.419 1.00 0.00 N ATOM 0 H HIS A 14 6.459 -2.994 -7.254 1.00 0.00 H new ATOM 0 HA HIS A 14 5.158 -0.456 -6.498 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.650 -0.091 -8.282 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.288 -1.630 -9.038 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.514 1.883 -8.609 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.894 -0.093 -11.996 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.894 2.064 -10.645 1.00 0.00 H new ATOM 185 N LEU A 15 2.855 -1.296 -6.746 1.00 0.00 N ATOM 186 CA LEU A 15 1.472 -1.737 -6.892 1.00 0.00 C ATOM 187 C LEU A 15 0.760 -0.945 -7.984 1.00 0.00 C ATOM 188 O LEU A 15 1.374 -0.131 -8.674 1.00 0.00 O ATOM 189 CB LEU A 15 0.725 -1.586 -5.566 1.00 0.00 C ATOM 190 CG LEU A 15 1.426 -2.154 -4.332 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.045 -1.363 -3.090 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.084 -3.626 -4.155 1.00 0.00 C ATOM 0 H LEU A 15 2.988 -0.543 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 15 1.480 -2.789 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.537 -0.526 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.247 -2.070 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 15 2.503 -2.067 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.554 -1.782 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.341 -0.322 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.033 -1.418 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.592 -4.014 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.007 -3.737 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.408 -4.183 -5.034 1.00 0.00 H new ATOM 204 N ARG A 16 -0.538 -1.188 -8.133 1.00 0.00 N ATOM 205 CA ARG A 16 -1.334 -0.496 -9.139 1.00 0.00 C ATOM 206 C ARG A 16 -1.766 0.879 -8.640 1.00 0.00 C ATOM 207 O ARG A 16 -2.520 0.990 -7.673 1.00 0.00 O ATOM 208 CB ARG A 16 -2.564 -1.327 -9.507 1.00 0.00 C ATOM 209 CG ARG A 16 -2.318 -2.313 -10.637 1.00 0.00 C ATOM 210 CD ARG A 16 -1.787 -3.638 -10.115 1.00 0.00 C ATOM 211 NE ARG A 16 -2.864 -4.550 -9.738 1.00 0.00 N ATOM 212 CZ ARG A 16 -3.548 -5.280 -10.611 1.00 0.00 C ATOM 213 NH1 ARG A 16 -3.268 -5.208 -11.905 1.00 0.00 N ATOM 214 NH2 ARG A 16 -4.515 -6.087 -10.190 1.00 0.00 N ATOM 0 H ARG A 16 -1.061 -1.859 -7.570 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.715 -0.363 -10.027 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.899 -1.874 -8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.374 -0.655 -9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.246 -2.482 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.606 -1.888 -11.344 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.167 -4.106 -10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.147 -3.457 -9.252 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.104 -4.630 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.525 -4.590 -12.232 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.795 -5.770 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.733 -6.146 -9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.040 -6.647 -10.861 1.00 0.00 H new ATOM 228 N ILE A 17 -1.284 1.923 -9.305 1.00 0.00 N ATOM 229 CA ILE A 17 -1.621 3.291 -8.929 1.00 0.00 C ATOM 230 C ILE A 17 -2.438 3.975 -10.019 1.00 0.00 C ATOM 231 O ILE A 17 -2.040 4.003 -11.184 1.00 0.00 O ATOM 232 CB ILE A 17 -0.357 4.126 -8.650 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.261 3.722 -7.310 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.691 5.610 -8.660 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.563 4.430 -7.008 1.00 0.00 C ATOM 0 H ILE A 17 -0.659 1.848 -10.107 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.215 3.230 -8.017 1.00 0.00 H new ATOM 0 HB ILE A 17 0.371 3.932 -9.438 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.451 3.932 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.433 2.646 -7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.212 6.187 -8.461 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.091 5.886 -9.635 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.433 5.821 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.944 4.095 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.291 4.200 -7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.393 5.506 -6.977 1.00 0.00 H new ATOM 247 N PHE A 18 -3.584 4.528 -9.634 1.00 0.00 N ATOM 248 CA PHE A 18 -4.458 5.214 -10.578 1.00 0.00 C ATOM 249 C PHE A 18 -5.250 6.317 -9.883 1.00 0.00 C ATOM 250 O PHE A 18 -5.774 6.123 -8.786 1.00 0.00 O ATOM 251 CB PHE A 18 -5.416 4.218 -11.235 1.00 0.00 C ATOM 252 CG PHE A 18 -6.660 4.856 -11.783 1.00 0.00 C ATOM 253 CD1 PHE A 18 -7.683 5.251 -10.937 1.00 0.00 C ATOM 254 CD2 PHE A 18 -6.806 5.061 -13.146 1.00 0.00 C ATOM 255 CE1 PHE A 18 -8.829 5.838 -11.440 1.00 0.00 C ATOM 256 CE2 PHE A 18 -7.950 5.648 -13.654 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.962 6.037 -12.800 1.00 0.00 C ATOM 0 H PHE A 18 -3.929 4.514 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.835 5.669 -11.348 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.895 3.704 -12.043 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.698 3.460 -10.504 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.584 5.099 -9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.017 4.759 -13.819 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.620 6.141 -10.770 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.052 5.802 -14.718 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.856 6.496 -13.195 1.00 0.00 H new ATOM 267 N ARG A 19 -5.332 7.475 -10.530 1.00 0.00 N ATOM 268 CA ARG A 19 -6.059 8.611 -9.975 1.00 0.00 C ATOM 269 C ARG A 19 -7.030 9.189 -10.999 1.00 0.00 C ATOM 270 O ARG A 19 -6.670 9.474 -12.141 1.00 0.00 O ATOM 271 CB ARG A 19 -5.081 9.694 -9.516 1.00 0.00 C ATOM 272 CG ARG A 19 -4.376 9.365 -8.210 1.00 0.00 C ATOM 273 CD ARG A 19 -2.996 10.001 -8.146 1.00 0.00 C ATOM 274 NE ARG A 19 -2.138 9.557 -9.242 1.00 0.00 N ATOM 275 CZ ARG A 19 -1.050 10.211 -9.634 1.00 0.00 C ATOM 276 NH1 ARG A 19 -0.689 11.331 -9.023 1.00 0.00 N ATOM 277 NH2 ARG A 19 -0.321 9.745 -10.639 1.00 0.00 N ATOM 0 H ARG A 19 -4.904 7.651 -11.439 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.631 8.259 -9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.333 9.849 -10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.621 10.634 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.978 9.715 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.285 8.284 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.095 11.086 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.526 9.753 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.388 8.698 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.247 11.693 -8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.147 11.831 -9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.595 8.884 -11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.514 10.248 -10.939 1.00 0.00 H new ATOM 291 N PRO A 20 -8.293 9.366 -10.583 1.00 0.00 N ATOM 292 CA PRO A 20 -9.343 9.911 -11.449 1.00 0.00 C ATOM 293 C PRO A 20 -9.133 11.390 -11.754 1.00 0.00 C ATOM 294 O PRO A 20 -9.757 11.941 -12.661 1.00 0.00 O ATOM 295 CB PRO A 20 -10.619 9.710 -10.628 1.00 0.00 C ATOM 296 CG PRO A 20 -10.158 9.679 -9.212 1.00 0.00 C ATOM 297 CD PRO A 20 -8.794 9.048 -9.235 1.00 0.00 C ATOM 0 HA PRO A 20 -9.364 9.421 -12.422 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.329 10.520 -10.795 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.123 8.783 -10.901 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.116 10.684 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.844 9.103 -8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.148 9.459 -8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.846 7.972 -9.069 1.00 0.00 H new ATOM 432 N TYR A 28 -2.822 3.892 -14.993 1.00 0.00 N ATOM 433 CA TYR A 28 -1.834 2.956 -14.470 1.00 0.00 C ATOM 434 C TYR A 28 -0.549 3.007 -15.291 1.00 0.00 C ATOM 435 O TYR A 28 -0.581 2.936 -16.520 1.00 0.00 O ATOM 436 CB TYR A 28 -2.397 1.534 -14.471 1.00 0.00 C ATOM 437 CG TYR A 28 -3.552 1.339 -13.515 1.00 0.00 C ATOM 438 CD1 TYR A 28 -3.391 1.546 -12.150 1.00 0.00 C ATOM 439 CD2 TYR A 28 -4.803 0.949 -13.976 1.00 0.00 C ATOM 440 CE1 TYR A 28 -4.444 1.369 -11.273 1.00 0.00 C ATOM 441 CE2 TYR A 28 -5.861 0.771 -13.106 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.676 0.982 -11.755 1.00 0.00 C ATOM 443 OH TYR A 28 -6.727 0.804 -10.885 1.00 0.00 O ATOM 0 HA TYR A 28 -1.602 3.246 -13.445 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.725 1.283 -15.480 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.600 0.837 -14.212 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.427 1.850 -11.769 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.951 0.782 -15.033 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.302 1.533 -10.215 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.828 0.468 -13.481 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.524 0.532 -11.386 1.00 0.00 H new ATOM 453 N ARG A 29 0.581 3.129 -14.602 1.00 0.00 N ATOM 454 CA ARG A 29 1.878 3.189 -15.266 1.00 0.00 C ATOM 455 C ARG A 29 2.955 2.521 -14.417 1.00 0.00 C ATOM 456 O ARG A 29 2.729 2.202 -13.250 1.00 0.00 O ATOM 457 CB ARG A 29 2.264 4.643 -15.547 1.00 0.00 C ATOM 458 CG ARG A 29 1.510 5.259 -16.714 1.00 0.00 C ATOM 459 CD ARG A 29 1.894 6.716 -16.919 1.00 0.00 C ATOM 460 NE ARG A 29 0.996 7.392 -17.851 1.00 0.00 N ATOM 461 CZ ARG A 29 0.858 8.712 -17.911 1.00 0.00 C ATOM 462 NH1 ARG A 29 1.557 9.493 -17.098 1.00 0.00 N ATOM 463 NH2 ARG A 29 0.021 9.254 -18.787 1.00 0.00 N ATOM 0 H ARG A 29 0.625 3.188 -13.585 1.00 0.00 H new ATOM 0 HA ARG A 29 1.799 2.652 -16.211 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.081 5.238 -14.652 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.334 4.693 -15.750 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.720 4.695 -17.623 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.437 5.186 -16.535 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.878 7.234 -15.960 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.916 6.772 -17.294 1.00 0.00 H new ATOM 0 HE ARG A 29 0.445 6.820 -18.491 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.202 9.080 -16.425 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.449 10.506 -17.146 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.517 8.657 -19.415 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.084 10.268 -18.832 1.00 0.00 H new ATOM 477 N GLN A 30 4.125 2.312 -15.011 1.00 0.00 N ATOM 478 CA GLN A 30 5.236 1.680 -14.310 1.00 0.00 C ATOM 479 C GLN A 30 5.953 2.683 -13.411 1.00 0.00 C ATOM 480 O GLN A 30 6.677 3.556 -13.891 1.00 0.00 O ATOM 481 CB GLN A 30 6.224 1.078 -15.311 1.00 0.00 C ATOM 482 CG GLN A 30 7.451 0.463 -14.659 1.00 0.00 C ATOM 483 CD GLN A 30 8.147 -0.541 -15.558 1.00 0.00 C ATOM 484 OE1 GLN A 30 7.617 -0.934 -16.597 1.00 0.00 O ATOM 485 NE2 GLN A 30 9.342 -0.962 -15.161 1.00 0.00 N ATOM 0 H GLN A 30 4.328 2.571 -15.976 1.00 0.00 H new ATOM 0 HA GLN A 30 4.832 0.883 -13.686 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.714 0.315 -15.898 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.543 1.855 -16.006 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.152 1.254 -14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.157 -0.028 -13.731 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.744 -0.610 -14.292 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.858 -1.638 -15.725 1.00 0.00 H new ATOM 494 N HIS A 31 5.747 2.552 -12.104 1.00 0.00 N ATOM 495 CA HIS A 31 6.374 3.447 -11.138 1.00 0.00 C ATOM 496 C HIS A 31 7.049 2.655 -10.022 1.00 0.00 C ATOM 497 O HIS A 31 6.871 1.442 -9.915 1.00 0.00 O ATOM 498 CB HIS A 31 5.336 4.401 -10.546 1.00 0.00 C ATOM 499 CG HIS A 31 4.782 5.375 -11.540 1.00 0.00 C ATOM 500 ND1 HIS A 31 4.739 6.735 -11.318 1.00 0.00 N ATOM 501 CD2 HIS A 31 4.248 5.180 -12.769 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.201 7.334 -12.365 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.894 6.412 -13.260 1.00 0.00 N ATOM 0 H HIS A 31 5.151 1.835 -11.690 1.00 0.00 H new ATOM 0 HA HIS A 31 7.135 4.028 -11.659 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.517 3.818 -10.126 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.790 4.953 -9.723 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.071 7.205 -10.476 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.124 4.231 -13.270 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.040 8.397 -12.471 1.00 0.00 H new ATOM 512 N TRP A 32 7.822 3.349 -9.196 1.00 0.00 N ATOM 513 CA TRP A 32 8.524 2.710 -8.088 1.00 0.00 C ATOM 514 C TRP A 32 7.895 3.090 -6.753 1.00 0.00 C ATOM 515 O TRP A 32 7.657 4.267 -6.480 1.00 0.00 O ATOM 516 CB TRP A 32 10.002 3.103 -8.100 1.00 0.00 C ATOM 517 CG TRP A 32 10.805 2.429 -7.028 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.627 3.031 -6.119 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.861 1.025 -6.755 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.192 2.085 -5.298 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.738 0.847 -5.667 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.256 -0.100 -7.323 1.00 0.00 C ATOM 523 CZ2 TRP A 32 12.023 -0.409 -5.139 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.540 -1.346 -6.798 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.416 -1.493 -5.714 1.00 0.00 C ATOM 0 H TRP A 32 7.979 4.354 -9.272 1.00 0.00 H new ATOM 0 HA TRP A 32 8.441 1.630 -8.212 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.428 2.856 -9.072 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.084 4.183 -7.981 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.807 4.094 -6.055 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.844 2.274 -4.537 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.578 0.003 -8.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.699 -0.524 -4.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.079 -2.222 -7.230 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.616 -2.480 -5.325 1.00 0.00 H new ATOM 536 N VAL A 33 7.627 2.087 -5.923 1.00 0.00 N ATOM 537 CA VAL A 33 7.026 2.317 -4.614 1.00 0.00 C ATOM 538 C VAL A 33 7.826 1.629 -3.514 1.00 0.00 C ATOM 539 O VAL A 33 8.427 0.577 -3.733 1.00 0.00 O ATOM 540 CB VAL A 33 5.571 1.812 -4.568 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.924 2.170 -3.239 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.773 2.383 -5.730 1.00 0.00 C ATOM 0 H VAL A 33 7.817 1.107 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 33 7.035 3.394 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 33 5.578 0.726 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.897 1.806 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.484 1.709 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.927 3.253 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.748 2.016 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.772 3.471 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.226 2.071 -6.671 1.00 0.00 H new ATOM 552 N VAL A 34 7.829 2.231 -2.328 1.00 0.00 N ATOM 553 CA VAL A 34 8.554 1.676 -1.191 1.00 0.00 C ATOM 554 C VAL A 34 7.793 1.904 0.110 1.00 0.00 C ATOM 555 O VAL A 34 7.472 3.039 0.463 1.00 0.00 O ATOM 556 CB VAL A 34 9.959 2.293 -1.067 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.643 1.812 0.204 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.798 1.961 -2.292 1.00 0.00 C ATOM 0 H VAL A 34 7.338 3.103 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 34 8.650 0.605 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 34 9.857 3.377 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.635 2.258 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.050 2.106 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.735 0.726 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.788 2.405 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.894 0.879 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.314 2.360 -3.183 1.00 0.00 H new ATOM 568 N PHE A 35 7.507 0.818 0.820 1.00 0.00 N ATOM 569 CA PHE A 35 6.783 0.898 2.083 1.00 0.00 C ATOM 570 C PHE A 35 7.750 0.935 3.263 1.00 0.00 C ATOM 571 O PHE A 35 8.693 0.146 3.333 1.00 0.00 O ATOM 572 CB PHE A 35 5.831 -0.291 2.227 1.00 0.00 C ATOM 573 CG PHE A 35 5.282 -0.455 3.615 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.593 0.579 4.228 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.456 -1.643 4.307 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.086 0.431 5.506 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.951 -1.796 5.584 1.00 0.00 C ATOM 578 CZ PHE A 35 4.266 -0.758 6.185 1.00 0.00 C ATOM 0 H PHE A 35 7.766 -0.129 0.542 1.00 0.00 H new ATOM 0 HA PHE A 35 6.203 1.821 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.002 -0.169 1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.356 -1.203 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.450 1.511 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.992 -2.458 3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.550 1.244 5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.092 -2.727 6.112 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.872 -0.876 7.184 1.00 0.00 H new ATOM 588 N LYS A 36 7.510 1.858 4.188 1.00 0.00 N ATOM 589 CA LYS A 36 8.358 2.000 5.366 1.00 0.00 C ATOM 590 C LYS A 36 7.556 1.772 6.644 1.00 0.00 C ATOM 591 O LYS A 36 6.334 1.914 6.653 1.00 0.00 O ATOM 592 CB LYS A 36 8.999 3.389 5.394 1.00 0.00 C ATOM 593 CG LYS A 36 9.912 3.614 6.587 1.00 0.00 C ATOM 594 CD LYS A 36 11.151 2.738 6.514 1.00 0.00 C ATOM 595 CE LYS A 36 12.338 3.391 7.206 1.00 0.00 C ATOM 596 NZ LYS A 36 12.931 4.480 6.381 1.00 0.00 N ATOM 0 H LYS A 36 6.735 2.519 4.145 1.00 0.00 H new ATOM 0 HA LYS A 36 9.143 1.246 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.570 3.535 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.212 4.143 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.208 4.662 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.368 3.401 7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.944 1.774 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.399 2.543 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.021 3.795 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.098 2.637 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.814 4.808 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.133 4.121 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.261 5.273 6.319 1.00 0.00 H new ATOM 610 N GLU A 37 8.253 1.420 7.720 1.00 0.00 N ATOM 611 CA GLU A 37 7.604 1.175 9.002 1.00 0.00 C ATOM 612 C GLU A 37 6.385 2.076 9.177 1.00 0.00 C ATOM 613 O GLU A 37 5.244 1.628 9.056 1.00 0.00 O ATOM 614 CB GLU A 37 8.590 1.403 10.150 1.00 0.00 C ATOM 615 CG GLU A 37 9.828 0.525 10.073 1.00 0.00 C ATOM 616 CD GLU A 37 10.736 0.690 11.277 1.00 0.00 C ATOM 617 OE1 GLU A 37 10.467 0.051 12.315 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.715 1.459 11.179 1.00 0.00 O ATOM 0 H GLU A 37 9.266 1.298 7.729 1.00 0.00 H new ATOM 0 HA GLU A 37 7.272 0.137 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.896 2.449 10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.082 1.218 11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.524 -0.519 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.384 0.766 9.167 1.00 0.00 H new ATOM 625 N THR A 38 6.635 3.350 9.463 1.00 0.00 N ATOM 626 CA THR A 38 5.560 4.315 9.657 1.00 0.00 C ATOM 627 C THR A 38 5.590 5.395 8.582 1.00 0.00 C ATOM 628 O THR A 38 5.099 6.506 8.788 1.00 0.00 O ATOM 629 CB THR A 38 5.646 4.982 11.042 1.00 0.00 C ATOM 630 OG1 THR A 38 7.017 5.148 11.421 1.00 0.00 O ATOM 631 CG2 THR A 38 4.922 4.150 12.090 1.00 0.00 C ATOM 0 H THR A 38 7.573 3.737 9.565 1.00 0.00 H new ATOM 0 HA THR A 38 4.623 3.762 9.587 1.00 0.00 H new ATOM 0 HB THR A 38 5.165 5.958 10.981 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.063 5.574 12.302 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.997 4.642 13.060 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.872 4.050 11.814 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.378 3.161 12.148 1.00 0.00 H new ATOM 639 N THR A 39 6.170 5.064 7.432 1.00 0.00 N ATOM 640 CA THR A 39 6.265 6.006 6.325 1.00 0.00 C ATOM 641 C THR A 39 6.055 5.305 4.987 1.00 0.00 C ATOM 642 O THR A 39 6.086 4.077 4.907 1.00 0.00 O ATOM 643 CB THR A 39 7.630 6.719 6.309 1.00 0.00 C ATOM 644 OG1 THR A 39 7.893 7.302 7.591 1.00 0.00 O ATOM 645 CG2 THR A 39 7.664 7.799 5.239 1.00 0.00 C ATOM 0 H THR A 39 6.581 4.150 7.244 1.00 0.00 H new ATOM 0 HA THR A 39 5.479 6.746 6.472 1.00 0.00 H new ATOM 0 HB THR A 39 8.398 5.980 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.763 7.752 7.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.638 8.289 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.492 7.348 4.262 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.886 8.535 5.441 1.00 0.00 H new ATOM 653 N LEU A 40 5.842 6.093 3.939 1.00 0.00 N ATOM 654 CA LEU A 40 5.628 5.548 2.603 1.00 0.00 C ATOM 655 C LEU A 40 5.848 6.617 1.537 1.00 0.00 C ATOM 656 O LEU A 40 5.368 7.743 1.664 1.00 0.00 O ATOM 657 CB LEU A 40 4.214 4.977 2.484 1.00 0.00 C ATOM 658 CG LEU A 40 3.988 3.974 1.352 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.748 3.135 1.621 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.866 4.696 0.018 1.00 0.00 C ATOM 0 H LEU A 40 5.813 7.111 3.989 1.00 0.00 H new ATOM 0 HA LEU A 40 6.351 4.748 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.958 4.494 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.519 5.806 2.352 1.00 0.00 H new ATOM 0 HG LEU A 40 4.849 3.307 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.604 2.427 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.874 2.590 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.877 3.786 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.706 3.967 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.023 5.386 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.782 5.253 -0.180 1.00 0.00 H new ATOM 672 N SER A 41 6.576 6.255 0.485 1.00 0.00 N ATOM 673 CA SER A 41 6.861 7.183 -0.603 1.00 0.00 C ATOM 674 C SER A 41 7.006 6.439 -1.927 1.00 0.00 C ATOM 675 O SER A 41 7.301 5.244 -1.952 1.00 0.00 O ATOM 676 CB SER A 41 8.137 7.973 -0.306 1.00 0.00 C ATOM 677 OG SER A 41 8.006 8.724 0.888 1.00 0.00 O ATOM 0 H SER A 41 6.979 5.326 0.363 1.00 0.00 H new ATOM 0 HA SER A 41 6.024 7.876 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.980 7.288 -0.218 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.356 8.642 -1.138 1.00 0.00 H new ATOM 0 HG SER A 41 8.835 9.218 1.056 1.00 0.00 H new ATOM 683 N TYR A 42 6.796 7.156 -3.026 1.00 0.00 N ATOM 684 CA TYR A 42 6.901 6.565 -4.355 1.00 0.00 C ATOM 685 C TYR A 42 7.721 7.454 -5.284 1.00 0.00 C ATOM 686 O TYR A 42 8.077 8.579 -4.931 1.00 0.00 O ATOM 687 CB TYR A 42 5.508 6.338 -4.946 1.00 0.00 C ATOM 688 CG TYR A 42 4.750 7.618 -5.216 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.400 8.473 -4.179 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.383 7.971 -6.509 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.706 9.643 -4.421 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.691 9.140 -6.761 1.00 0.00 C ATOM 693 CZ TYR A 42 3.354 9.972 -5.714 1.00 0.00 C ATOM 694 OH TYR A 42 2.664 11.137 -5.959 1.00 0.00 O ATOM 0 H TYR A 42 6.552 8.146 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 42 7.409 5.605 -4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.604 5.779 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.928 5.720 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.675 8.219 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.643 7.320 -7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.441 10.296 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.416 9.401 -7.772 1.00 0.00 H new ATOM 0 HH TYR A 42 2.495 11.221 -6.921 1.00 0.00 H new ATOM 704 N TYR A 43 8.018 6.942 -6.473 1.00 0.00 N ATOM 705 CA TYR A 43 8.798 7.688 -7.454 1.00 0.00 C ATOM 706 C TYR A 43 8.394 7.307 -8.875 1.00 0.00 C ATOM 707 O TYR A 43 7.773 6.268 -9.099 1.00 0.00 O ATOM 708 CB TYR A 43 10.292 7.431 -7.250 1.00 0.00 C ATOM 709 CG TYR A 43 10.714 7.433 -5.798 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.217 6.487 -4.909 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.608 8.380 -5.315 1.00 0.00 C ATOM 712 CE1 TYR A 43 10.600 6.485 -3.581 1.00 0.00 C ATOM 713 CE2 TYR A 43 11.997 8.384 -3.989 1.00 0.00 C ATOM 714 CZ TYR A 43 11.490 7.435 -3.127 1.00 0.00 C ATOM 715 OH TYR A 43 11.874 7.437 -1.805 1.00 0.00 O ATOM 0 H TYR A 43 7.730 6.013 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 43 8.596 8.749 -7.311 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.551 6.469 -7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.859 8.192 -7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.520 5.741 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.006 9.126 -5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.204 5.743 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.694 9.126 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 43 12.506 8.170 -1.649 1.00 0.00 H new ATOM 725 N LYS A 44 8.752 8.156 -9.832 1.00 0.00 N ATOM 726 CA LYS A 44 8.431 7.910 -11.233 1.00 0.00 C ATOM 727 C LYS A 44 9.591 7.223 -11.945 1.00 0.00 C ATOM 728 O LYS A 44 9.385 6.393 -12.830 1.00 0.00 O ATOM 729 CB LYS A 44 8.093 9.225 -11.938 1.00 0.00 C ATOM 730 CG LYS A 44 9.315 9.997 -12.404 1.00 0.00 C ATOM 731 CD LYS A 44 8.938 11.370 -12.935 1.00 0.00 C ATOM 732 CE LYS A 44 8.653 11.331 -14.429 1.00 0.00 C ATOM 733 NZ LYS A 44 9.893 11.118 -15.225 1.00 0.00 N ATOM 0 H LYS A 44 9.265 9.021 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 44 7.564 7.251 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.458 9.014 -12.798 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.514 9.852 -11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.015 10.106 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.828 9.433 -13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.059 11.737 -12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.747 12.073 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.943 10.532 -14.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.182 12.266 -14.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.739 11.443 -16.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.675 11.656 -14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.132 10.106 -15.231 1.00 0.00 H new ATOM 747 N SER A 45 10.812 7.573 -11.552 1.00 0.00 N ATOM 748 CA SER A 45 12.006 6.991 -12.155 1.00 0.00 C ATOM 749 C SER A 45 12.902 6.367 -11.090 1.00 0.00 C ATOM 750 O SER A 45 13.457 7.066 -10.244 1.00 0.00 O ATOM 751 CB SER A 45 12.782 8.057 -12.931 1.00 0.00 C ATOM 752 OG SER A 45 12.316 8.157 -14.265 1.00 0.00 O ATOM 0 H SER A 45 11.000 8.257 -10.819 1.00 0.00 H new ATOM 0 HA SER A 45 11.691 6.208 -12.844 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.679 9.021 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.844 7.811 -12.931 1.00 0.00 H new ATOM 0 HG SER A 45 12.827 8.846 -14.739 1.00 0.00 H new ATOM 758 N GLN A 46 13.039 5.046 -11.141 1.00 0.00 N ATOM 759 CA GLN A 46 13.867 4.326 -10.181 1.00 0.00 C ATOM 760 C GLN A 46 15.232 4.992 -10.033 1.00 0.00 C ATOM 761 O GLN A 46 15.934 4.776 -9.045 1.00 0.00 O ATOM 762 CB GLN A 46 14.042 2.870 -10.616 1.00 0.00 C ATOM 763 CG GLN A 46 14.371 1.928 -9.470 1.00 0.00 C ATOM 764 CD GLN A 46 15.722 2.217 -8.847 1.00 0.00 C ATOM 765 OE1 GLN A 46 16.728 2.342 -9.546 1.00 0.00 O ATOM 766 NE2 GLN A 46 15.753 2.326 -7.523 1.00 0.00 N ATOM 0 H GLN A 46 12.587 4.453 -11.837 1.00 0.00 H new ATOM 0 HA GLN A 46 13.363 4.351 -9.215 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.127 2.532 -11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.837 2.815 -11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.598 2.008 -8.706 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.355 0.900 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.895 2.215 -6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.634 2.521 -7.048 1.00 0.00 H new ATOM 775 N ASP A 47 15.600 5.801 -11.020 1.00 0.00 N ATOM 776 CA ASP A 47 16.880 6.499 -11.000 1.00 0.00 C ATOM 777 C ASP A 47 16.815 7.727 -10.097 1.00 0.00 C ATOM 778 O ASP A 47 17.793 8.077 -9.438 1.00 0.00 O ATOM 779 CB ASP A 47 17.283 6.912 -12.416 1.00 0.00 C ATOM 780 CG ASP A 47 17.594 5.720 -13.300 1.00 0.00 C ATOM 781 OD1 ASP A 47 18.728 5.203 -13.221 1.00 0.00 O ATOM 782 OD2 ASP A 47 16.704 5.304 -14.070 1.00 0.00 O ATOM 0 H ASP A 47 15.030 5.990 -11.844 1.00 0.00 H new ATOM 0 HA ASP A 47 17.631 5.817 -10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.478 7.493 -12.865 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.156 7.562 -12.367 1.00 0.00 H new ATOM 787 N GLU A 48 15.655 8.377 -10.075 1.00 0.00 N ATOM 788 CA GLU A 48 15.464 9.568 -9.255 1.00 0.00 C ATOM 789 C GLU A 48 15.711 9.259 -7.781 1.00 0.00 C ATOM 790 O GLU A 48 16.108 10.133 -7.011 1.00 0.00 O ATOM 791 CB GLU A 48 14.049 10.121 -9.441 1.00 0.00 C ATOM 792 CG GLU A 48 13.044 9.568 -8.444 1.00 0.00 C ATOM 793 CD GLU A 48 11.689 10.240 -8.550 1.00 0.00 C ATOM 794 OE1 GLU A 48 10.997 10.024 -9.567 1.00 0.00 O ATOM 795 OE2 GLU A 48 11.320 10.981 -7.615 1.00 0.00 O ATOM 0 H GLU A 48 14.835 8.099 -10.615 1.00 0.00 H new ATOM 0 HA GLU A 48 16.185 10.319 -9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.078 11.207 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.709 9.894 -10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.928 8.496 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.431 9.697 -7.433 1.00 0.00 H new ATOM 802 N ALA A 49 15.473 8.009 -7.396 1.00 0.00 N ATOM 803 CA ALA A 49 15.671 7.584 -6.016 1.00 0.00 C ATOM 804 C ALA A 49 16.989 6.834 -5.856 1.00 0.00 C ATOM 805 O ALA A 49 17.599 6.388 -6.829 1.00 0.00 O ATOM 806 CB ALA A 49 14.508 6.715 -5.560 1.00 0.00 C ATOM 0 H ALA A 49 15.143 7.273 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 49 15.712 8.475 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.669 6.404 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.581 7.284 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.441 5.834 -6.198 1.00 0.00 H new ATOM 812 N PRO A 50 17.441 6.690 -4.602 1.00 0.00 N ATOM 813 CA PRO A 50 16.723 7.217 -3.437 1.00 0.00 C ATOM 814 C PRO A 50 16.753 8.740 -3.378 1.00 0.00 C ATOM 815 O PRO A 50 16.193 9.347 -2.466 1.00 0.00 O ATOM 816 CB PRO A 50 17.486 6.621 -2.251 1.00 0.00 C ATOM 817 CG PRO A 50 18.857 6.364 -2.774 1.00 0.00 C ATOM 818 CD PRO A 50 18.687 6.004 -4.224 1.00 0.00 C ATOM 0 HA PRO A 50 15.665 6.954 -3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.507 7.310 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.017 5.702 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.489 7.245 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.339 5.555 -2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.531 6.344 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 50 18.610 4.926 -4.364 1.00 0.00 H new ATOM 826 N GLY A 51 17.410 9.354 -4.358 1.00 0.00 N ATOM 827 CA GLY A 51 17.500 10.801 -4.398 1.00 0.00 C ATOM 828 C GLY A 51 16.426 11.472 -3.565 1.00 0.00 C ATOM 829 O GLY A 51 16.610 11.701 -2.370 1.00 0.00 O ATOM 0 H GLY A 51 17.881 8.874 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 51 18.481 11.111 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.418 11.139 -5.431 1.00 0.00 H new ATOM 833 N ASP A 52 15.301 11.790 -4.198 1.00 0.00 N ATOM 834 CA ASP A 52 14.193 12.440 -3.507 1.00 0.00 C ATOM 835 C ASP A 52 12.854 11.980 -4.076 1.00 0.00 C ATOM 836 O ASP A 52 12.623 12.009 -5.285 1.00 0.00 O ATOM 837 CB ASP A 52 14.315 13.960 -3.621 1.00 0.00 C ATOM 838 CG ASP A 52 13.028 14.673 -3.253 1.00 0.00 C ATOM 839 OD1 ASP A 52 12.013 14.464 -3.950 1.00 0.00 O ATOM 840 OD2 ASP A 52 13.036 15.439 -2.267 1.00 0.00 O ATOM 0 H ASP A 52 15.133 11.608 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 52 14.237 12.158 -2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.118 14.307 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.594 14.224 -4.641 1.00 0.00 H new ATOM 845 N PRO A 53 11.951 11.545 -3.186 1.00 0.00 N ATOM 846 CA PRO A 53 10.620 11.070 -3.576 1.00 0.00 C ATOM 847 C PRO A 53 9.726 12.198 -4.078 1.00 0.00 C ATOM 848 O PRO A 53 9.903 13.357 -3.701 1.00 0.00 O ATOM 849 CB PRO A 53 10.060 10.480 -2.279 1.00 0.00 C ATOM 850 CG PRO A 53 10.783 11.198 -1.193 1.00 0.00 C ATOM 851 CD PRO A 53 12.159 11.483 -1.729 1.00 0.00 C ATOM 0 HA PRO A 53 10.667 10.357 -4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.983 10.634 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.233 9.405 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.269 12.122 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.834 10.590 -0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.556 12.420 -1.339 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.867 10.700 -1.457 1.00 0.00 H new ATOM 859 N ILE A 54 8.766 11.852 -4.928 1.00 0.00 N ATOM 860 CA ILE A 54 7.843 12.837 -5.480 1.00 0.00 C ATOM 861 C ILE A 54 7.030 13.506 -4.377 1.00 0.00 C ATOM 862 O ILE A 54 6.858 14.725 -4.373 1.00 0.00 O ATOM 863 CB ILE A 54 6.880 12.198 -6.497 1.00 0.00 C ATOM 864 CG1 ILE A 54 7.651 11.704 -7.723 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.805 13.194 -6.907 1.00 0.00 C ATOM 866 CD1 ILE A 54 6.799 10.924 -8.699 1.00 0.00 C ATOM 0 H ILE A 54 8.606 10.897 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 54 8.449 13.588 -5.988 1.00 0.00 H new ATOM 0 HB ILE A 54 6.395 11.342 -6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.087 12.561 -8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.478 11.076 -7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.132 12.727 -7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.239 13.502 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.273 14.068 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.411 10.606 -9.543 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.384 10.048 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.986 11.556 -9.058 1.00 0.00 H new ATOM 878 N GLN A 55 6.534 12.701 -3.444 1.00 0.00 N ATOM 879 CA GLN A 55 5.739 13.217 -2.335 1.00 0.00 C ATOM 880 C GLN A 55 5.705 12.220 -1.181 1.00 0.00 C ATOM 881 O GLN A 55 5.068 11.171 -1.274 1.00 0.00 O ATOM 882 CB GLN A 55 4.315 13.526 -2.800 1.00 0.00 C ATOM 883 CG GLN A 55 3.635 14.620 -1.994 1.00 0.00 C ATOM 884 CD GLN A 55 2.123 14.551 -2.074 1.00 0.00 C ATOM 885 OE1 GLN A 55 1.562 14.166 -3.100 1.00 0.00 O ATOM 886 NE2 GLN A 55 1.455 14.924 -0.989 1.00 0.00 N ATOM 0 H GLN A 55 6.668 11.690 -3.433 1.00 0.00 H new ATOM 0 HA GLN A 55 6.206 14.137 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.341 13.822 -3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.717 12.617 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.944 14.543 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.970 15.593 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.961 15.236 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.435 14.898 -0.984 1.00 0.00 H new ATOM 895 N GLN A 56 6.393 12.556 -0.095 1.00 0.00 N ATOM 896 CA GLN A 56 6.442 11.689 1.077 1.00 0.00 C ATOM 897 C GLN A 56 5.257 11.956 2.000 1.00 0.00 C ATOM 898 O GLN A 56 4.876 13.106 2.222 1.00 0.00 O ATOM 899 CB GLN A 56 7.753 11.897 1.837 1.00 0.00 C ATOM 900 CG GLN A 56 7.893 13.284 2.442 1.00 0.00 C ATOM 901 CD GLN A 56 9.340 13.699 2.624 1.00 0.00 C ATOM 902 OE1 GLN A 56 9.929 13.488 3.684 1.00 0.00 O ATOM 903 NE2 GLN A 56 9.920 14.292 1.587 1.00 0.00 N ATOM 0 H GLN A 56 6.924 13.422 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 56 6.389 10.655 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.824 11.154 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.588 11.720 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.389 14.008 1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.388 13.307 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.393 14.447 0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.893 14.593 1.650 1.00 0.00 H new ATOM 912 N LEU A 57 4.679 10.886 2.536 1.00 0.00 N ATOM 913 CA LEU A 57 3.537 11.004 3.436 1.00 0.00 C ATOM 914 C LEU A 57 3.634 9.993 4.574 1.00 0.00 C ATOM 915 O LEU A 57 3.837 8.802 4.343 1.00 0.00 O ATOM 916 CB LEU A 57 2.232 10.798 2.665 1.00 0.00 C ATOM 917 CG LEU A 57 2.179 11.402 1.261 1.00 0.00 C ATOM 918 CD1 LEU A 57 1.251 10.594 0.367 1.00 0.00 C ATOM 919 CD2 LEU A 57 1.731 12.855 1.323 1.00 0.00 C ATOM 0 H LEU A 57 4.982 9.928 2.363 1.00 0.00 H new ATOM 0 HA LEU A 57 3.545 12.006 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.046 9.727 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.416 11.221 3.252 1.00 0.00 H new ATOM 0 HG LEU A 57 3.181 11.369 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.226 11.039 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.615 9.569 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.246 10.595 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.699 13.269 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.739 12.911 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.434 13.427 1.928 1.00 0.00 H new ATOM 931 N ASN A 58 3.485 10.477 5.803 1.00 0.00 N ATOM 932 CA ASN A 58 3.554 9.616 6.977 1.00 0.00 C ATOM 933 C ASN A 58 2.217 8.924 7.224 1.00 0.00 C ATOM 934 O ASN A 58 1.242 9.558 7.628 1.00 0.00 O ATOM 935 CB ASN A 58 3.955 10.429 8.210 1.00 0.00 C ATOM 936 CG ASN A 58 4.145 9.561 9.439 1.00 0.00 C ATOM 937 OD1 ASN A 58 3.243 8.824 9.837 1.00 0.00 O ATOM 938 ND2 ASN A 58 5.322 9.646 10.046 1.00 0.00 N ATOM 0 H ASN A 58 3.316 11.461 6.011 1.00 0.00 H new ATOM 0 HA ASN A 58 4.310 8.853 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.880 10.967 8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.189 11.178 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.508 9.086 10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.040 10.271 9.680 1.00 0.00 H new ATOM 945 N LEU A 59 2.179 7.619 6.978 1.00 0.00 N ATOM 946 CA LEU A 59 0.961 6.839 7.174 1.00 0.00 C ATOM 947 C LEU A 59 0.387 7.067 8.568 1.00 0.00 C ATOM 948 O LEU A 59 -0.830 7.085 8.755 1.00 0.00 O ATOM 949 CB LEU A 59 1.247 5.351 6.964 1.00 0.00 C ATOM 950 CG LEU A 59 1.535 4.918 5.526 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.092 3.503 5.496 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.277 5.017 4.677 1.00 0.00 C ATOM 0 H LEU A 59 2.977 7.079 6.643 1.00 0.00 H new ATOM 0 HA LEU A 59 0.225 7.169 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.101 5.075 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.392 4.782 7.329 1.00 0.00 H new ATOM 0 HG LEU A 59 2.284 5.590 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.291 3.212 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.018 3.464 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.366 2.817 5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.501 4.705 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.495 4.370 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.078 6.048 4.671 1.00 0.00 H new ATOM 964 N LYS A 60 1.270 7.242 9.545 1.00 0.00 N ATOM 965 CA LYS A 60 0.852 7.473 10.923 1.00 0.00 C ATOM 966 C LYS A 60 0.026 8.751 11.034 1.00 0.00 C ATOM 967 O LYS A 60 0.572 9.852 11.080 1.00 0.00 O ATOM 968 CB LYS A 60 2.074 7.562 11.840 1.00 0.00 C ATOM 969 CG LYS A 60 1.809 7.080 13.255 1.00 0.00 C ATOM 970 CD LYS A 60 1.173 8.168 14.105 1.00 0.00 C ATOM 971 CE LYS A 60 2.185 9.235 14.493 1.00 0.00 C ATOM 972 NZ LYS A 60 1.525 10.524 14.840 1.00 0.00 N ATOM 0 H LYS A 60 2.281 7.228 9.408 1.00 0.00 H new ATOM 0 HA LYS A 60 0.232 6.632 11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.884 6.973 11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.416 8.596 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.154 6.209 13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.745 6.760 13.713 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.351 8.627 13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.746 7.725 15.005 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.772 8.887 15.343 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.880 9.393 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.248 11.226 15.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.985 10.869 14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.880 10.379 15.643 1.00 0.00 H new ATOM 986 N GLY A 61 -1.294 8.595 11.078 1.00 0.00 N ATOM 987 CA GLY A 61 -2.173 9.744 11.185 1.00 0.00 C ATOM 988 C GLY A 61 -3.210 9.785 10.080 1.00 0.00 C ATOM 989 O GLY A 61 -4.295 10.340 10.258 1.00 0.00 O ATOM 0 H GLY A 61 -1.770 7.693 11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.677 9.724 12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.578 10.657 11.155 1.00 0.00 H new ATOM 993 N CYS A 62 -2.876 9.199 8.935 1.00 0.00 N ATOM 994 CA CYS A 62 -3.786 9.173 7.796 1.00 0.00 C ATOM 995 C CYS A 62 -4.910 8.166 8.019 1.00 0.00 C ATOM 996 O CYS A 62 -4.973 7.515 9.061 1.00 0.00 O ATOM 997 CB CYS A 62 -3.024 8.829 6.516 1.00 0.00 C ATOM 998 SG CYS A 62 -2.439 7.120 6.442 1.00 0.00 S ATOM 0 H CYS A 62 -1.982 8.736 8.771 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.227 10.164 7.693 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.671 9.018 5.659 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.169 9.499 6.424 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.794 6.834 7.534 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.795 8.046 7.035 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.917 7.120 7.126 1.00 0.00 C ATOM 1006 C GLU A 63 -6.711 5.922 6.204 1.00 0.00 C ATOM 1007 O GLU A 63 -6.006 6.012 5.198 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.224 7.831 6.772 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.443 7.247 7.466 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.533 7.650 8.925 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -9.698 8.857 9.198 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -9.439 6.757 9.793 1.00 0.00 O ATOM 0 H GLU A 63 -5.757 8.578 6.166 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.974 6.760 8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.137 8.885 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.373 7.783 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.344 7.574 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.411 6.160 7.395 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.331 4.799 6.553 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.217 3.583 5.758 1.00 0.00 C ATOM 1021 C VAL A 64 -8.586 2.966 5.497 1.00 0.00 C ATOM 1022 O VAL A 64 -9.302 2.600 6.430 1.00 0.00 O ATOM 1023 CB VAL A 64 -6.319 2.541 6.451 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.400 1.203 5.731 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -4.882 3.035 6.516 1.00 0.00 C ATOM 0 H VAL A 64 -7.918 4.707 7.382 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.764 3.867 4.808 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.676 2.400 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.759 0.479 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.430 0.846 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.069 1.324 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.262 2.286 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.510 3.207 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.843 3.967 7.080 1.00 0.00 H new ATOM 1035 N VAL A 65 -8.945 2.852 4.223 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.229 2.277 3.838 1.00 0.00 C ATOM 1037 C VAL A 65 -10.039 0.987 3.049 1.00 0.00 C ATOM 1038 O VAL A 65 -9.851 0.996 1.832 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.056 3.265 2.995 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.500 2.799 2.891 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -10.980 4.664 3.586 1.00 0.00 C ATOM 0 H VAL A 65 -8.365 3.150 3.439 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.768 2.059 4.760 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.636 3.297 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.069 3.510 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.532 1.817 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.935 2.736 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.570 5.349 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.373 4.651 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.942 4.996 3.603 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.089 -0.152 3.756 1.00 0.00 N ATOM 1052 CA PRO A 66 -9.926 -1.473 3.142 1.00 0.00 C ATOM 1053 C PRO A 66 -11.111 -1.853 2.260 1.00 0.00 C ATOM 1054 O PRO A 66 -12.244 -1.946 2.733 1.00 0.00 O ATOM 1055 CB PRO A 66 -9.831 -2.415 4.345 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.550 -1.704 5.439 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.310 -0.238 5.209 1.00 0.00 C ATOM 0 HA PRO A 66 -9.058 -1.512 2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.291 -3.380 4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.793 -2.610 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.616 -1.933 5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.177 -2.012 6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.164 0.363 5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.446 0.120 5.769 1.00 0.00 H new ATOM 1065 N ASP A 67 -10.842 -2.071 0.978 1.00 0.00 N ATOM 1066 CA ASP A 67 -11.887 -2.443 0.030 1.00 0.00 C ATOM 1067 C ASP A 67 -11.611 -3.818 -0.571 1.00 0.00 C ATOM 1068 O ASP A 67 -11.069 -3.929 -1.670 1.00 0.00 O ATOM 1069 CB ASP A 67 -11.991 -1.398 -1.082 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.497 -0.062 -0.575 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -12.067 0.358 0.519 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -13.323 0.564 -1.272 1.00 0.00 O ATOM 0 H ASP A 67 -9.910 -1.997 0.571 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.834 -2.485 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.012 -1.262 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.660 -1.765 -1.860 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.988 -4.863 0.159 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.781 -6.231 -0.301 1.00 0.00 C ATOM 1079 C VAL A 68 -13.095 -6.866 -0.743 1.00 0.00 C ATOM 1080 O VAL A 68 -14.065 -6.899 0.014 1.00 0.00 O ATOM 1081 CB VAL A 68 -11.145 -7.103 0.797 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -11.241 -8.577 0.432 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -9.698 -6.696 1.029 1.00 0.00 C ATOM 0 H VAL A 68 -12.438 -4.788 1.071 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.101 -6.180 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.696 -6.947 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.786 -9.177 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.289 -8.857 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.717 -8.754 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.264 -7.323 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.132 -6.821 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.659 -5.652 1.340 1.00 0.00 H new ATOM 1093 N ASN A 69 -13.118 -7.371 -1.972 1.00 0.00 N ATOM 1094 CA ASN A 69 -14.314 -8.006 -2.514 1.00 0.00 C ATOM 1095 C ASN A 69 -14.042 -9.466 -2.866 1.00 0.00 C ATOM 1096 O ASN A 69 -13.940 -9.825 -4.039 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.798 -7.253 -3.755 1.00 0.00 C ATOM 1098 CG ASN A 69 -15.939 -7.966 -4.455 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -15.750 -8.587 -5.501 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -17.133 -7.879 -3.879 1.00 0.00 N ATOM 0 H ASN A 69 -12.323 -7.353 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.091 -7.973 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -15.121 -6.252 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.967 -7.132 -4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -17.939 -8.338 -4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -17.244 -7.353 -3.012 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.927 -10.304 -1.841 1.00 0.00 N ATOM 1108 CA VAL A 70 -13.670 -11.725 -2.040 1.00 0.00 C ATOM 1109 C VAL A 70 -14.483 -12.273 -3.208 1.00 0.00 C ATOM 1110 O VAL A 70 -14.022 -13.145 -3.944 1.00 0.00 O ATOM 1111 CB VAL A 70 -13.999 -12.539 -0.774 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -13.757 -14.021 -1.014 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -13.179 -12.040 0.407 1.00 0.00 C ATOM 0 H VAL A 70 -14.008 -10.023 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.607 -11.825 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.054 -12.402 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.995 -14.580 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.392 -14.366 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.711 -14.181 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.424 -12.626 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.117 -12.146 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.408 -10.990 0.591 1.00 0.00 H new ATOM 1123 N SER A 71 -15.695 -11.753 -3.373 1.00 0.00 N ATOM 1124 CA SER A 71 -16.575 -12.192 -4.450 1.00 0.00 C ATOM 1125 C SER A 71 -15.800 -12.346 -5.755 1.00 0.00 C ATOM 1126 O SER A 71 -16.002 -13.305 -6.500 1.00 0.00 O ATOM 1127 CB SER A 71 -17.721 -11.197 -4.638 1.00 0.00 C ATOM 1128 OG SER A 71 -18.482 -11.064 -3.451 1.00 0.00 O ATOM 0 H SER A 71 -16.090 -11.027 -2.775 1.00 0.00 H new ATOM 0 HA SER A 71 -16.988 -13.163 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.319 -10.226 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.366 -11.530 -5.451 1.00 0.00 H new ATOM 0 HG SER A 71 -19.207 -10.421 -3.598 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.912 -11.394 -6.025 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.120 -11.442 -7.240 1.00 0.00 C ATOM 1136 C GLY A 72 -12.630 -11.409 -6.963 1.00 0.00 C ATOM 1137 O GLY A 72 -11.877 -10.737 -7.666 1.00 0.00 O ATOM 0 H GLY A 72 -14.727 -10.591 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.364 -12.349 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.387 -10.599 -7.877 1.00 0.00 H new ATOM 1141 N GLN A 73 -12.205 -12.136 -5.934 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.796 -12.185 -5.564 1.00 0.00 C ATOM 1143 C GLN A 73 -10.133 -10.826 -5.765 1.00 0.00 C ATOM 1144 O GLN A 73 -9.055 -10.729 -6.352 1.00 0.00 O ATOM 1145 CB GLN A 73 -10.067 -13.247 -6.389 1.00 0.00 C ATOM 1146 CG GLN A 73 -10.726 -14.616 -6.336 1.00 0.00 C ATOM 1147 CD GLN A 73 -10.334 -15.405 -5.102 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -9.215 -15.911 -5.004 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -11.254 -15.514 -4.151 1.00 0.00 N ATOM 0 H GLN A 73 -12.816 -12.699 -5.342 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.733 -12.448 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.016 -12.917 -7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.041 -13.333 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.809 -14.495 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.452 -15.182 -7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.168 -15.079 -4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.046 -16.033 -3.298 1.00 0.00 H new ATOM 1158 N LYS A 74 -10.784 -9.777 -5.273 1.00 0.00 N ATOM 1159 CA LYS A 74 -10.259 -8.423 -5.397 1.00 0.00 C ATOM 1160 C LYS A 74 -9.657 -7.950 -4.077 1.00 0.00 C ATOM 1161 O LYS A 74 -10.058 -8.401 -3.004 1.00 0.00 O ATOM 1162 CB LYS A 74 -11.365 -7.462 -5.839 1.00 0.00 C ATOM 1163 CG LYS A 74 -10.853 -6.097 -6.262 1.00 0.00 C ATOM 1164 CD LYS A 74 -11.992 -5.167 -6.644 1.00 0.00 C ATOM 1165 CE LYS A 74 -12.628 -4.532 -5.417 1.00 0.00 C ATOM 1166 NZ LYS A 74 -13.658 -3.522 -5.786 1.00 0.00 N ATOM 0 H LYS A 74 -11.677 -9.839 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.473 -8.433 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.912 -7.909 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.074 -7.337 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.279 -5.655 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.174 -6.208 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.619 -4.386 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.747 -5.723 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.084 -5.308 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.855 -4.058 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.068 -3.112 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.218 -2.768 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.409 -3.979 -6.342 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.695 -7.037 -4.164 1.00 0.00 N ATOM 1181 CA PHE A 75 -8.039 -6.503 -2.976 1.00 0.00 C ATOM 1182 C PHE A 75 -7.445 -5.126 -3.256 1.00 0.00 C ATOM 1183 O PHE A 75 -6.432 -5.004 -3.946 1.00 0.00 O ATOM 1184 CB PHE A 75 -6.942 -7.457 -2.500 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.417 -8.869 -2.310 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.390 -9.771 -3.362 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -7.891 -9.296 -1.080 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -7.827 -11.071 -3.190 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -8.329 -10.594 -0.901 1.00 0.00 C ATOM 1190 CZ PHE A 75 -8.296 -11.483 -1.958 1.00 0.00 C ATOM 0 H PHE A 75 -8.353 -6.652 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.789 -6.403 -2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.127 -7.451 -3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.535 -7.089 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.023 -9.454 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.918 -8.605 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.802 -11.764 -4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.696 -10.913 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.636 -12.499 -1.821 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.082 -4.092 -2.717 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.617 -2.723 -2.910 1.00 0.00 C ATOM 1202 C CYS A 76 -7.377 -2.037 -1.569 1.00 0.00 C ATOM 1203 O CYS A 76 -8.106 -2.267 -0.604 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.635 -1.928 -3.728 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.913 -0.588 -4.704 1.00 0.00 S ATOM 0 H CYS A 76 -8.921 -4.176 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.673 -2.759 -3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.159 -2.610 -4.398 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.381 -1.510 -3.052 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.649 -0.477 -4.420 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.350 -1.195 -1.517 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.014 -0.476 -0.294 1.00 0.00 C ATOM 1213 C ILE A 77 -6.040 1.032 -0.519 1.00 0.00 C ATOM 1214 O ILE A 77 -5.129 1.597 -1.125 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.625 -0.882 0.233 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.500 -2.406 0.286 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.383 -0.277 1.608 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.080 -2.889 0.479 1.00 0.00 C ATOM 0 H ILE A 77 -5.737 -0.994 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.767 -0.743 0.447 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.867 -0.498 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.118 -2.785 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.896 -2.827 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.397 -0.573 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.434 0.810 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.144 -0.634 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.067 -3.979 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.461 -2.540 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.687 -2.497 1.417 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.089 1.680 -0.024 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.234 3.124 -0.167 1.00 0.00 C ATOM 1232 C LYS A 78 -6.367 3.861 0.849 1.00 0.00 C ATOM 1233 O LYS A 78 -6.274 3.458 2.009 1.00 0.00 O ATOM 1234 CB LYS A 78 -8.699 3.530 0.008 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.071 4.802 -0.735 1.00 0.00 C ATOM 1236 CD LYS A 78 -10.544 5.135 -0.568 1.00 0.00 C ATOM 1237 CE LYS A 78 -10.790 6.633 -0.658 1.00 0.00 C ATOM 1238 NZ LYS A 78 -12.239 6.951 -0.782 1.00 0.00 N ATOM 0 H LYS A 78 -7.852 1.228 0.480 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.904 3.400 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.337 2.717 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.905 3.666 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.466 5.630 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.841 4.686 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.123 4.623 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.895 4.765 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.386 7.121 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.255 7.038 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.364 7.982 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.620 6.506 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.747 6.587 0.050 1.00 0.00 H new ATOM 1252 N LEU A 79 -5.735 4.942 0.407 1.00 0.00 N ATOM 1253 CA LEU A 79 -4.877 5.737 1.278 1.00 0.00 C ATOM 1254 C LEU A 79 -5.313 7.198 1.287 1.00 0.00 C ATOM 1255 O LEU A 79 -5.169 7.907 0.290 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.419 5.631 0.825 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.622 4.459 1.398 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -3.429 3.173 1.318 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.297 4.306 0.665 1.00 0.00 C ATOM 0 H LEU A 79 -5.801 5.288 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.966 5.345 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.402 5.559 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.908 6.556 1.091 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.412 4.667 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.845 2.351 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.351 3.286 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.671 2.960 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.743 3.467 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.485 4.122 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.712 5.219 0.776 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.846 7.644 2.420 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.302 9.022 2.561 1.00 0.00 C ATOM 1273 C LEU A 80 -5.409 9.795 3.527 1.00 0.00 C ATOM 1274 O LEU A 80 -5.585 9.723 4.743 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.750 9.053 3.051 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.822 8.786 1.994 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -10.175 8.560 2.650 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -8.894 9.940 1.003 1.00 0.00 C ATOM 0 H LEU A 80 -5.973 7.071 3.254 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.246 9.499 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.860 8.315 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.941 10.030 3.495 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.550 7.882 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.925 8.372 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.116 7.701 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.455 9.445 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.662 9.733 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.141 10.860 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.930 10.055 0.508 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.452 10.536 2.977 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.534 11.325 3.789 1.00 0.00 C ATOM 1292 C VAL A 81 -3.875 12.809 3.718 1.00 0.00 C ATOM 1293 O VAL A 81 -3.574 13.495 2.741 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.074 11.123 3.343 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.124 11.864 4.272 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -1.734 9.641 3.290 1.00 0.00 C ATOM 0 H VAL A 81 -4.293 10.606 1.972 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.643 10.979 4.817 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.958 11.535 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.097 11.709 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.355 12.929 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.239 11.485 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.699 9.516 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.866 9.202 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.393 9.142 2.580 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.518 13.320 4.779 1.00 0.00 N ATOM 1307 CA PRO A 82 -4.913 14.729 4.862 1.00 0.00 C ATOM 1308 C PRO A 82 -3.715 15.659 5.017 1.00 0.00 C ATOM 1309 O PRO A 82 -2.829 15.414 5.836 1.00 0.00 O ATOM 1310 CB PRO A 82 -5.794 14.778 6.113 1.00 0.00 C ATOM 1311 CG PRO A 82 -5.332 13.632 6.946 1.00 0.00 C ATOM 1312 CD PRO A 82 -4.909 12.561 5.979 1.00 0.00 C ATOM 0 HA PRO A 82 -5.417 15.065 3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.678 15.724 6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.849 14.682 5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.503 13.926 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.130 13.276 7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.079 11.972 6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.722 11.866 5.768 1.00 0.00 H new ATOM 1320 N SER A 83 -3.694 16.728 4.227 1.00 0.00 N ATOM 1321 CA SER A 83 -2.602 17.693 4.275 1.00 0.00 C ATOM 1322 C SER A 83 -3.137 19.110 4.454 1.00 0.00 C ATOM 1323 O SER A 83 -4.272 19.423 4.093 1.00 0.00 O ATOM 1324 CB SER A 83 -1.763 17.610 2.999 1.00 0.00 C ATOM 1325 OG SER A 83 -1.013 16.408 2.959 1.00 0.00 O ATOM 0 H SER A 83 -4.421 16.948 3.546 1.00 0.00 H new ATOM 0 HA SER A 83 -1.973 17.450 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.415 17.665 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.089 18.465 2.947 1.00 0.00 H new ATOM 0 HG SER A 83 -0.487 16.378 2.133 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.301 19.990 5.026 1.00 0.00 N ATOM 1332 CA PRO A 84 -2.667 21.389 5.266 1.00 0.00 C ATOM 1333 C PRO A 84 -2.781 22.189 3.973 1.00 0.00 C ATOM 1334 O PRO A 84 -3.086 23.380 3.995 1.00 0.00 O ATOM 1335 CB PRO A 84 -1.512 21.916 6.121 1.00 0.00 C ATOM 1336 CG PRO A 84 -0.356 21.043 5.775 1.00 0.00 C ATOM 1337 CD PRO A 84 -0.934 19.686 5.481 1.00 0.00 C ATOM 0 HA PRO A 84 -3.643 21.479 5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.299 22.962 5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.748 21.858 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 84 0.183 21.433 4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.356 20.994 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.362 19.163 4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.937 19.050 6.366 1.00 0.00 H new ATOM 1345 N GLU A 85 -2.533 21.525 2.848 1.00 0.00 N ATOM 1346 CA GLU A 85 -2.608 22.175 1.545 1.00 0.00 C ATOM 1347 C GLU A 85 -3.762 21.613 0.721 1.00 0.00 C ATOM 1348 O GLU A 85 -4.409 22.335 -0.036 1.00 0.00 O ATOM 1349 CB GLU A 85 -1.291 21.999 0.786 1.00 0.00 C ATOM 1350 CG GLU A 85 -0.907 20.546 0.563 1.00 0.00 C ATOM 1351 CD GLU A 85 0.428 20.397 -0.139 1.00 0.00 C ATOM 1352 OE1 GLU A 85 0.491 20.666 -1.357 1.00 0.00 O ATOM 1353 OE2 GLU A 85 1.410 20.010 0.528 1.00 0.00 O ATOM 0 H GLU A 85 -2.279 20.538 2.813 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.786 23.238 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.369 22.498 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.494 22.496 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.867 20.033 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.681 20.056 -0.028 1.00 0.00 H new ATOM 1360 N GLY A 86 -4.015 20.316 0.875 1.00 0.00 N ATOM 1361 CA GLY A 86 -5.090 19.677 0.139 1.00 0.00 C ATOM 1362 C GLY A 86 -5.366 18.268 0.623 1.00 0.00 C ATOM 1363 O GLY A 86 -5.469 18.026 1.825 1.00 0.00 O ATOM 0 H GLY A 86 -3.494 19.697 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.997 20.275 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.835 19.651 -0.920 1.00 0.00 H new ATOM 1367 N MET A 87 -5.489 17.335 -0.316 1.00 0.00 N ATOM 1368 CA MET A 87 -5.757 15.942 0.023 1.00 0.00 C ATOM 1369 C MET A 87 -5.111 15.003 -0.991 1.00 0.00 C ATOM 1370 O MET A 87 -5.361 15.103 -2.192 1.00 0.00 O ATOM 1371 CB MET A 87 -7.264 15.689 0.081 1.00 0.00 C ATOM 1372 CG MET A 87 -7.627 14.275 0.506 1.00 0.00 C ATOM 1373 SD MET A 87 -7.555 14.047 2.293 1.00 0.00 S ATOM 1374 CE MET A 87 -6.717 12.468 2.399 1.00 0.00 C ATOM 0 H MET A 87 -5.407 17.518 -1.316 1.00 0.00 H new ATOM 0 HA MET A 87 -5.325 15.743 1.004 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.716 16.396 0.776 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.695 15.887 -0.900 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.632 14.041 0.154 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.948 13.570 0.026 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.534 12.223 3.445 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.339 11.695 1.948 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.767 12.524 1.868 1.00 0.00 H new ATOM 1384 N SER A 88 -4.279 14.090 -0.500 1.00 0.00 N ATOM 1385 CA SER A 88 -3.594 13.136 -1.364 1.00 0.00 C ATOM 1386 C SER A 88 -4.235 11.755 -1.264 1.00 0.00 C ATOM 1387 O SER A 88 -3.877 10.954 -0.401 1.00 0.00 O ATOM 1388 CB SER A 88 -2.112 13.050 -0.991 1.00 0.00 C ATOM 1389 OG SER A 88 -1.386 12.309 -1.956 1.00 0.00 O ATOM 0 H SER A 88 -4.063 13.991 0.492 1.00 0.00 H new ATOM 0 HA SER A 88 -3.683 13.486 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.695 14.054 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.006 12.581 -0.013 1.00 0.00 H new ATOM 0 HG SER A 88 -0.442 12.270 -1.696 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.185 11.485 -2.153 1.00 0.00 N ATOM 1396 CA GLU A 89 -5.877 10.201 -2.165 1.00 0.00 C ATOM 1397 C GLU A 89 -5.324 9.295 -3.261 1.00 0.00 C ATOM 1398 O GLU A 89 -5.497 9.564 -4.450 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.379 10.409 -2.370 1.00 0.00 C ATOM 1400 CG GLU A 89 -7.749 10.828 -3.783 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.031 11.636 -3.835 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -10.013 11.233 -3.176 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -9.053 12.670 -4.535 1.00 0.00 O ATOM 0 H GLU A 89 -5.493 12.137 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.712 9.719 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.902 9.484 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.731 11.168 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.936 11.416 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.859 9.939 -4.405 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.658 8.220 -2.851 1.00 0.00 N ATOM 1411 CA ILE A 90 -4.080 7.274 -3.797 1.00 0.00 C ATOM 1412 C ILE A 90 -4.764 5.914 -3.701 1.00 0.00 C ATOM 1413 O ILE A 90 -5.213 5.507 -2.630 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.569 7.094 -3.561 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.812 8.357 -3.974 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -2.053 5.886 -4.328 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -0.548 8.592 -3.178 1.00 0.00 C ATOM 0 H ILE A 90 -4.506 7.983 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.237 7.688 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.400 6.924 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.558 8.289 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.470 9.219 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.984 5.772 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.574 4.990 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.231 6.029 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.064 9.505 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.797 8.693 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.129 7.748 -3.313 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.838 5.215 -4.829 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.468 3.901 -4.873 1.00 0.00 C ATOM 1431 C TYR A 91 -4.449 2.820 -5.221 1.00 0.00 C ATOM 1432 O TYR A 91 -3.736 2.921 -6.220 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.607 3.891 -5.894 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.718 4.864 -5.570 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.485 4.716 -4.421 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.001 5.931 -6.414 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.502 5.602 -4.122 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.015 6.823 -6.122 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.762 6.654 -4.975 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.774 7.540 -4.681 1.00 0.00 O ATOM 0 H TYR A 91 -4.470 5.537 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.874 3.688 -3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.203 4.128 -6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.022 2.885 -5.953 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.283 3.894 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.418 6.065 -7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -10.090 5.472 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.221 7.648 -6.788 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.825 8.223 -5.382 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.386 1.786 -4.390 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.455 0.684 -4.608 1.00 0.00 C ATOM 1452 C LEU A 92 -4.203 -0.633 -4.790 1.00 0.00 C ATOM 1453 O LEU A 92 -5.004 -1.026 -3.942 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.481 0.573 -3.434 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.644 1.817 -3.136 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -0.868 1.640 -1.840 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.697 2.111 -4.290 1.00 0.00 C ATOM 0 H LEU A 92 -4.969 1.687 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.893 0.890 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.049 0.319 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.803 -0.258 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.318 2.666 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.278 2.535 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.565 1.478 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.204 0.780 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.109 3.000 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.029 1.262 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.273 2.282 -5.199 1.00 0.00 H new ATOM 1469 N ARG A 93 -3.934 -1.311 -5.901 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.581 -2.584 -6.194 1.00 0.00 C ATOM 1471 C ARG A 93 -3.545 -3.689 -6.387 1.00 0.00 C ATOM 1472 O ARG A 93 -2.700 -3.612 -7.279 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.451 -2.463 -7.446 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.264 -3.711 -7.747 1.00 0.00 C ATOM 1475 CD ARG A 93 -6.622 -3.801 -9.222 1.00 0.00 C ATOM 1476 NE ARG A 93 -7.756 -2.946 -9.563 1.00 0.00 N ATOM 1477 CZ ARG A 93 -9.024 -3.311 -9.409 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -9.318 -4.509 -8.921 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -10.001 -2.477 -9.742 1.00 0.00 N ATOM 0 H ARG A 93 -3.273 -1.000 -6.613 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.213 -2.845 -5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.129 -1.618 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.813 -2.241 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.697 -4.595 -7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.176 -3.705 -7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.759 -3.515 -9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.858 -4.835 -9.475 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.564 -2.018 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.570 -5.152 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.292 -4.787 -8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.779 -1.555 -10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.974 -2.758 -9.623 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.617 -4.713 -5.545 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.685 -5.833 -5.621 1.00 0.00 C ATOM 1495 C CYS A 94 -3.214 -6.918 -6.553 1.00 0.00 C ATOM 1496 O CYS A 94 -4.342 -6.835 -7.040 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.440 -6.415 -4.229 1.00 0.00 C ATOM 1498 SG CYS A 94 -1.619 -5.278 -3.087 1.00 0.00 S ATOM 0 H CYS A 94 -4.311 -4.792 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.742 -5.462 -6.023 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.395 -6.717 -3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.835 -7.316 -4.325 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.937 -4.054 -3.390 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.392 -7.933 -6.798 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.777 -9.033 -7.674 1.00 0.00 C ATOM 1506 C GLN A 95 -3.576 -10.083 -6.910 1.00 0.00 C ATOM 1507 O GLN A 95 -4.690 -10.435 -7.300 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.536 -9.674 -8.299 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.853 -10.840 -9.221 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.621 -11.643 -9.590 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.419 -11.082 -9.936 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.732 -12.964 -9.517 1.00 0.00 N ATOM 0 H GLN A 95 -1.456 -8.016 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.407 -8.629 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.989 -8.916 -8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.876 -10.020 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.577 -11.495 -8.737 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.322 -10.463 -10.130 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.613 -13.386 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.064 -13.556 -9.753 1.00 0.00 H new ATOM 1521 N ASP A 96 -3.000 -10.581 -5.822 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.659 -11.591 -5.002 1.00 0.00 C ATOM 1523 C ASP A 96 -3.622 -11.203 -3.527 1.00 0.00 C ATOM 1524 O ASP A 96 -2.976 -10.227 -3.149 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.992 -12.954 -5.200 1.00 0.00 C ATOM 1526 CG ASP A 96 -3.334 -13.576 -6.539 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -4.398 -14.224 -6.638 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -2.538 -13.417 -7.489 1.00 0.00 O ATOM 0 H ASP A 96 -2.078 -10.302 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.701 -11.655 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.911 -12.841 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.302 -13.627 -4.400 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.321 -11.974 -2.700 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.369 -11.708 -1.267 1.00 0.00 C ATOM 1535 C GLU A 97 -2.980 -11.821 -0.645 1.00 0.00 C ATOM 1536 O GLU A 97 -2.655 -11.108 0.303 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.328 -12.681 -0.577 1.00 0.00 C ATOM 1538 CG GLU A 97 -4.900 -14.135 -0.682 1.00 0.00 C ATOM 1539 CD GLU A 97 -5.622 -15.029 0.308 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -5.958 -14.546 1.409 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -5.853 -16.212 -0.020 1.00 0.00 O ATOM 0 H GLU A 97 -4.861 -12.787 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.730 -10.689 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.411 -12.411 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.321 -12.571 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.089 -14.493 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.825 -14.207 -0.514 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.167 -12.721 -1.188 1.00 0.00 N ATOM 1549 CA GLN A 98 -0.813 -12.928 -0.686 1.00 0.00 C ATOM 1550 C GLN A 98 -0.094 -11.597 -0.497 1.00 0.00 C ATOM 1551 O GLN A 98 0.345 -11.269 0.605 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.021 -13.818 -1.646 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.543 -15.243 -1.724 1.00 0.00 C ATOM 1554 CD GLN A 98 -0.545 -15.939 -0.377 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.414 -15.837 0.389 1.00 0.00 O ATOM 1556 NE2 GLN A 98 -1.627 -16.650 -0.080 1.00 0.00 N ATOM 0 H GLN A 98 -2.421 -13.318 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.883 -13.423 0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.045 -13.376 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.023 -13.839 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.557 -15.233 -2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.070 -15.813 -2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.398 -16.707 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.687 -17.139 0.813 1.00 0.00 H new ATOM 1565 N GLN A 99 0.024 -10.834 -1.580 1.00 0.00 N ATOM 1566 CA GLN A 99 0.692 -9.539 -1.532 1.00 0.00 C ATOM 1567 C GLN A 99 -0.117 -8.539 -0.714 1.00 0.00 C ATOM 1568 O GLN A 99 0.419 -7.859 0.161 1.00 0.00 O ATOM 1569 CB GLN A 99 0.909 -9.001 -2.948 1.00 0.00 C ATOM 1570 CG GLN A 99 1.854 -7.812 -3.009 1.00 0.00 C ATOM 1571 CD GLN A 99 3.302 -8.225 -3.187 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.761 -9.195 -2.584 1.00 0.00 O ATOM 1573 NE2 GLN A 99 4.030 -7.489 -4.018 1.00 0.00 N ATOM 0 H GLN A 99 -0.334 -11.090 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 99 1.660 -9.675 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.304 -9.801 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.054 -8.711 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.562 -7.162 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.757 -7.228 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.609 -6.693 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.011 -7.719 -4.177 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.411 -8.454 -1.004 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.294 -7.535 -0.297 1.00 0.00 C ATOM 1584 C TYR A 100 -2.069 -7.614 1.210 1.00 0.00 C ATOM 1585 O TYR A 100 -1.589 -6.664 1.828 1.00 0.00 O ATOM 1586 CB TYR A 100 -3.756 -7.847 -0.623 1.00 0.00 C ATOM 1587 CG TYR A 100 -4.719 -7.443 0.470 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -4.997 -6.104 0.719 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.353 -8.400 1.254 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -5.876 -5.731 1.717 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.234 -8.035 2.253 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.492 -6.700 2.481 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.370 -6.332 3.475 1.00 0.00 O ATOM 0 H TYR A 100 -1.871 -9.011 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.063 -6.522 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.031 -7.336 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.858 -8.916 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.518 -5.342 0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.153 -9.447 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.080 -4.686 1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.718 -8.792 2.853 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.717 -7.134 3.918 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.419 -8.755 1.795 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.254 -8.960 3.228 1.00 0.00 C ATOM 1605 C ALA A 101 -0.963 -8.321 3.729 1.00 0.00 C ATOM 1606 O ALA A 101 -0.987 -7.458 4.607 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.270 -10.447 3.554 1.00 0.00 C ATOM 0 H ALA A 101 -2.819 -9.551 1.298 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.089 -8.478 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.146 -10.585 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.221 -10.878 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.455 -10.944 3.028 1.00 0.00 H new ATOM 1613 N ARG A 102 0.161 -8.751 3.166 1.00 0.00 N ATOM 1614 CA ARG A 102 1.462 -8.221 3.558 1.00 0.00 C ATOM 1615 C ARG A 102 1.419 -6.700 3.671 1.00 0.00 C ATOM 1616 O ARG A 102 1.591 -6.144 4.755 1.00 0.00 O ATOM 1617 CB ARG A 102 2.532 -8.638 2.546 1.00 0.00 C ATOM 1618 CG ARG A 102 3.005 -10.072 2.716 1.00 0.00 C ATOM 1619 CD ARG A 102 3.581 -10.626 1.421 1.00 0.00 C ATOM 1620 NE ARG A 102 4.136 -11.965 1.598 1.00 0.00 N ATOM 1621 CZ ARG A 102 5.041 -12.498 0.785 1.00 0.00 C ATOM 1622 NH1 ARG A 102 5.492 -11.809 -0.254 1.00 0.00 N ATOM 1623 NH2 ARG A 102 5.498 -13.723 1.012 1.00 0.00 N ATOM 0 H ARG A 102 0.198 -9.464 2.438 1.00 0.00 H new ATOM 0 HA ARG A 102 1.714 -8.633 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.136 -8.512 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.387 -7.969 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.761 -10.116 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.172 -10.695 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.801 -10.655 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.359 -9.956 1.055 1.00 0.00 H new ATOM 0 HE ARG A 102 3.811 -12.521 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.144 -10.867 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.187 -12.221 -0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.154 -14.256 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.193 -14.132 0.387 1.00 0.00 H new ATOM 1637 N TRP A 103 1.187 -6.035 2.545 1.00 0.00 N ATOM 1638 CA TRP A 103 1.122 -4.578 2.518 1.00 0.00 C ATOM 1639 C TRP A 103 0.067 -4.063 3.491 1.00 0.00 C ATOM 1640 O TRP A 103 0.387 -3.370 4.456 1.00 0.00 O ATOM 1641 CB TRP A 103 0.811 -4.088 1.102 1.00 0.00 C ATOM 1642 CG TRP A 103 2.009 -4.075 0.202 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.555 -5.143 -0.451 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.810 -2.939 -0.143 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.647 -4.739 -1.181 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.824 -3.392 -1.009 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.768 -1.584 0.195 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.786 -2.536 -1.540 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.723 -0.736 -0.333 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.721 -1.214 -1.193 1.00 0.00 C ATOM 0 H TRP A 103 1.041 -6.481 1.639 1.00 0.00 H new ATOM 0 HA TRP A 103 2.093 -4.189 2.825 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.044 -4.727 0.665 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.395 -3.082 1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.183 -6.156 -0.401 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.231 -5.344 -1.758 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.003 -1.206 0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.556 -2.903 -2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.700 0.313 -0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.453 -0.526 -1.589 1.00 0.00 H new ATOM 1661 N MET A 104 -1.190 -4.405 3.230 1.00 0.00 N ATOM 1662 CA MET A 104 -2.291 -3.977 4.085 1.00 0.00 C ATOM 1663 C MET A 104 -1.883 -4.010 5.555 1.00 0.00 C ATOM 1664 O MET A 104 -1.738 -2.966 6.191 1.00 0.00 O ATOM 1665 CB MET A 104 -3.514 -4.870 3.864 1.00 0.00 C ATOM 1666 CG MET A 104 -4.667 -4.566 4.807 1.00 0.00 C ATOM 1667 SD MET A 104 -4.997 -2.800 4.954 1.00 0.00 S ATOM 1668 CE MET A 104 -6.429 -2.634 3.891 1.00 0.00 C ATOM 0 H MET A 104 -1.472 -4.977 2.434 1.00 0.00 H new ATOM 0 HA MET A 104 -2.546 -2.951 3.819 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.857 -4.755 2.836 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.220 -5.912 3.987 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.565 -5.071 4.451 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.442 -4.973 5.793 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.952 -1.708 4.128 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.109 -2.614 2.849 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.099 -3.479 4.048 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.699 -5.213 6.087 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.305 -5.381 7.480 1.00 0.00 C ATOM 1680 C ALA A 105 -0.307 -4.307 7.901 1.00 0.00 C ATOM 1681 O ALA A 105 -0.304 -3.865 9.050 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.717 -6.767 7.700 1.00 0.00 C ATOM 0 H ALA A 105 -1.817 -6.087 5.574 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.196 -5.275 8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.427 -6.878 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.461 -7.522 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.160 -6.895 7.065 1.00 0.00 H new ATOM 1688 N GLY A 106 0.540 -3.893 6.964 1.00 0.00 N ATOM 1689 CA GLY A 106 1.532 -2.875 7.259 1.00 0.00 C ATOM 1690 C GLY A 106 0.916 -1.503 7.449 1.00 0.00 C ATOM 1691 O GLY A 106 1.160 -0.840 8.458 1.00 0.00 O ATOM 0 H GLY A 106 0.557 -4.244 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.077 -3.153 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.259 -2.834 6.448 1.00 0.00 H new ATOM 1695 N CYS A 107 0.118 -1.075 6.477 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.532 0.229 6.540 1.00 0.00 C ATOM 1697 C CYS A 107 -1.350 0.367 7.821 1.00 0.00 C ATOM 1698 O CYS A 107 -1.353 1.422 8.456 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.433 0.433 5.321 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.554 0.413 3.742 1.00 0.00 S ATOM 0 H CYS A 107 -0.094 -1.612 5.636 1.00 0.00 H new ATOM 0 HA CYS A 107 0.244 0.995 6.541 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -2.194 -0.347 5.311 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.954 1.385 5.423 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.401 0.591 2.772 1.00 0.00 H new ATOM 1706 N ARG A 108 -2.042 -0.704 8.193 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.866 -0.702 9.396 1.00 0.00 C ATOM 1708 C ARG A 108 -2.015 -0.444 10.636 1.00 0.00 C ATOM 1709 O ARG A 108 -2.400 0.328 11.516 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.603 -2.035 9.538 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.724 -2.221 8.529 1.00 0.00 C ATOM 1712 CD ARG A 108 -5.085 -3.689 8.362 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.327 -4.343 9.645 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.429 -4.165 10.364 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.386 -3.357 9.928 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.576 -4.795 11.523 1.00 0.00 N ATOM 0 H ARG A 108 -2.049 -1.585 7.679 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.597 0.101 9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.887 -2.850 9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.016 -2.107 10.544 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.603 -1.664 8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.421 -1.808 7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.975 -3.775 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.278 -4.203 7.839 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.610 -4.971 10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.277 -2.870 9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.231 -3.222 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.842 -5.417 11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.423 -4.657 12.074 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.859 -1.094 10.700 1.00 0.00 N ATOM 1731 CA LEU A 109 0.047 -0.935 11.833 1.00 0.00 C ATOM 1732 C LEU A 109 0.526 0.508 11.949 1.00 0.00 C ATOM 1733 O LEU A 109 0.413 1.126 13.007 1.00 0.00 O ATOM 1734 CB LEU A 109 1.247 -1.873 11.687 1.00 0.00 C ATOM 1735 CG LEU A 109 0.955 -3.366 11.842 1.00 0.00 C ATOM 1736 CD1 LEU A 109 1.996 -4.193 11.105 1.00 0.00 C ATOM 1737 CD2 LEU A 109 0.910 -3.750 13.314 1.00 0.00 C ATOM 0 H LEU A 109 -0.526 -1.736 9.981 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.498 -1.191 12.741 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.692 -1.710 10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.995 -1.591 12.427 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.021 -3.574 11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.772 -5.253 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.980 -3.938 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.984 -3.982 11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.701 -4.816 13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.871 -3.527 13.778 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.126 -3.182 13.814 1.00 0.00 H new ATOM 1749 N ALA A 110 1.058 1.040 10.854 1.00 0.00 N ATOM 1750 CA ALA A 110 1.550 2.412 10.832 1.00 0.00 C ATOM 1751 C ALA A 110 0.413 3.406 11.040 1.00 0.00 C ATOM 1752 O ALA A 110 0.590 4.440 11.685 1.00 0.00 O ATOM 1753 CB ALA A 110 2.267 2.694 9.520 1.00 0.00 C ATOM 0 H ALA A 110 1.159 0.542 9.970 1.00 0.00 H new ATOM 0 HA ALA A 110 2.257 2.532 11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.629 3.722 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.110 2.012 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.576 2.550 8.689 1.00 0.00 H new ATOM 1759 N SER A 111 -0.754 3.087 10.490 1.00 0.00 N ATOM 1760 CA SER A 111 -1.919 3.955 10.612 1.00 0.00 C ATOM 1761 C SER A 111 -2.013 4.545 12.016 1.00 0.00 C ATOM 1762 O SER A 111 -2.245 5.742 12.185 1.00 0.00 O ATOM 1763 CB SER A 111 -3.197 3.178 10.288 1.00 0.00 C ATOM 1764 OG SER A 111 -4.343 3.998 10.433 1.00 0.00 O ATOM 0 H SER A 111 -0.918 2.234 9.956 1.00 0.00 H new ATOM 0 HA SER A 111 -1.808 4.772 9.899 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.146 2.797 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.278 2.314 10.948 1.00 0.00 H new ATOM 0 HG SER A 111 -5.146 3.479 10.219 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.830 3.696 13.021 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.891 4.131 14.412 1.00 0.00 C ATOM 1772 C LYS A 112 -0.506 4.510 14.925 1.00 0.00 C ATOM 1773 O LYS A 112 -0.371 5.352 15.811 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.487 3.026 15.287 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.892 2.618 14.880 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.914 3.670 15.275 1.00 0.00 C ATOM 1777 CE LYS A 112 -6.332 3.214 14.963 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.928 2.447 16.091 1.00 0.00 N ATOM 0 H LYS A 112 -1.638 2.702 12.899 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.531 5.012 14.464 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.838 2.152 15.246 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.502 3.363 16.323 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.928 2.461 13.802 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.146 1.668 15.350 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.825 3.883 16.340 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.705 4.599 14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.953 4.083 14.746 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.325 2.595 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.894 2.154 15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.349 1.604 16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.958 3.046 16.941 1.00 0.00 H new ATOM 1792 N GLY A 113 0.522 3.882 14.361 1.00 0.00 N ATOM 1793 CA GLY A 113 1.883 4.168 14.774 1.00 0.00 C ATOM 1794 C GLY A 113 2.743 2.921 14.841 1.00 0.00 C ATOM 1795 O GLY A 113 3.963 2.992 14.696 1.00 0.00 O ATOM 0 H GLY A 113 0.436 3.180 13.626 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.330 4.877 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.869 4.649 15.752 1.00 0.00 H new ATOM 1799 N ARG A 114 2.106 1.776 15.063 1.00 0.00 N ATOM 1800 CA ARG A 114 2.821 0.509 15.153 1.00 0.00 C ATOM 1801 C ARG A 114 3.649 0.263 13.895 1.00 0.00 C ATOM 1802 O ARG A 114 3.292 0.710 12.805 1.00 0.00 O ATOM 1803 CB ARG A 114 1.836 -0.643 15.361 1.00 0.00 C ATOM 1804 CG ARG A 114 1.215 -0.669 16.748 1.00 0.00 C ATOM 1805 CD ARG A 114 0.110 -1.710 16.844 1.00 0.00 C ATOM 1806 NE ARG A 114 -0.494 -1.746 18.173 1.00 0.00 N ATOM 1807 CZ ARG A 114 0.138 -2.188 19.255 1.00 0.00 C ATOM 1808 NH1 ARG A 114 1.385 -2.628 19.166 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -0.479 -2.190 20.431 1.00 0.00 N ATOM 0 H ARG A 114 1.096 1.700 15.184 1.00 0.00 H new ATOM 0 HA ARG A 114 3.495 0.560 16.008 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.042 -0.570 14.618 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.351 -1.587 15.185 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.985 -0.885 17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.811 0.315 16.986 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.659 -1.492 16.102 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.516 -2.693 16.604 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.453 -1.414 18.276 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.863 -2.628 18.265 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.867 -2.967 19.999 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.439 -1.852 20.504 1.00 0.00 H new ATOM 0 HH22 ARG A 114 0.007 -2.529 21.261 1.00 0.00 H new ATOM 1823 N THR A 115 4.759 -0.452 14.054 1.00 0.00 N ATOM 1824 CA THR A 115 5.639 -0.757 12.934 1.00 0.00 C ATOM 1825 C THR A 115 5.733 -2.261 12.701 1.00 0.00 C ATOM 1826 O THR A 115 5.507 -3.055 13.613 1.00 0.00 O ATOM 1827 CB THR A 115 7.055 -0.196 13.163 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.665 -0.847 14.283 1.00 0.00 O ATOM 1829 CG2 THR A 115 7.010 1.305 13.405 1.00 0.00 C ATOM 0 H THR A 115 5.069 -0.831 14.949 1.00 0.00 H new ATOM 0 HA THR A 115 5.205 -0.282 12.054 1.00 0.00 H new ATOM 0 HB THR A 115 7.646 -0.386 12.267 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.566 -0.486 14.421 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.022 1.678 13.564 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.573 1.800 12.538 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.404 1.513 14.286 1.00 0.00 H new ATOM 1837 N MET A 116 6.067 -2.645 11.473 1.00 0.00 N ATOM 1838 CA MET A 116 6.192 -4.055 11.122 1.00 0.00 C ATOM 1839 C MET A 116 7.076 -4.789 12.125 1.00 0.00 C ATOM 1840 O MET A 116 6.866 -5.969 12.404 1.00 0.00 O ATOM 1841 CB MET A 116 6.769 -4.202 9.712 1.00 0.00 C ATOM 1842 CG MET A 116 5.714 -4.190 8.619 1.00 0.00 C ATOM 1843 SD MET A 116 6.260 -5.024 7.117 1.00 0.00 S ATOM 1844 CE MET A 116 7.581 -3.937 6.587 1.00 0.00 C ATOM 0 H MET A 116 6.256 -2.000 10.705 1.00 0.00 H new ATOM 0 HA MET A 116 5.197 -4.500 11.148 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.476 -3.392 9.532 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.330 -5.135 9.653 1.00 0.00 H new ATOM 0 HG2 MET A 116 4.808 -4.671 8.988 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.453 -3.158 8.383 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.312 -3.474 5.638 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.738 -3.162 7.337 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.498 -4.513 6.463 1.00 0.00 H new ATOM 1854 N ALA A 117 8.065 -4.083 12.663 1.00 0.00 N ATOM 1855 CA ALA A 117 8.979 -4.668 13.636 1.00 0.00 C ATOM 1856 C ALA A 117 8.217 -5.413 14.726 1.00 0.00 C ATOM 1857 O ALA A 117 8.725 -6.374 15.306 1.00 0.00 O ATOM 1858 CB ALA A 117 9.859 -3.588 14.249 1.00 0.00 C ATOM 0 H ALA A 117 8.254 -3.105 12.441 1.00 0.00 H new ATOM 0 HA ALA A 117 9.613 -5.387 13.116 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.537 -4.039 14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.438 -3.102 13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.233 -2.849 14.749 1.00 0.00 H new ATOM 1864 N ASP A 118 6.997 -4.965 15.001 1.00 0.00 N ATOM 1865 CA ASP A 118 6.164 -5.591 16.022 1.00 0.00 C ATOM 1866 C ASP A 118 5.743 -6.994 15.595 1.00 0.00 C ATOM 1867 O ASP A 118 5.446 -7.234 14.425 1.00 0.00 O ATOM 1868 CB ASP A 118 4.927 -4.735 16.296 1.00 0.00 C ATOM 1869 CG ASP A 118 4.243 -5.107 17.597 1.00 0.00 C ATOM 1870 OD1 ASP A 118 4.955 -5.409 18.577 1.00 0.00 O ATOM 1871 OD2 ASP A 118 2.995 -5.095 17.634 1.00 0.00 O ATOM 0 H ASP A 118 6.563 -4.171 14.531 1.00 0.00 H new ATOM 0 HA ASP A 118 6.751 -5.670 16.937 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.215 -3.684 16.328 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.221 -4.847 15.473 1.00 0.00 H new ATOM 1876 N SER A 119 5.721 -7.916 16.552 1.00 0.00 N ATOM 1877 CA SER A 119 5.341 -9.296 16.274 1.00 0.00 C ATOM 1878 C SER A 119 3.875 -9.384 15.861 1.00 0.00 C ATOM 1879 O SER A 119 3.386 -10.450 15.489 1.00 0.00 O ATOM 1880 CB SER A 119 5.590 -10.173 17.502 1.00 0.00 C ATOM 1881 OG SER A 119 6.977 -10.371 17.716 1.00 0.00 O ATOM 0 H SER A 119 5.962 -7.733 17.526 1.00 0.00 H new ATOM 0 HA SER A 119 5.955 -9.656 15.448 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.146 -9.707 18.382 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.098 -11.137 17.370 1.00 0.00 H new ATOM 0 HG SER A 119 7.109 -10.933 18.508 1.00 0.00 H new ATOM 1887 N SER A 120 3.179 -8.253 15.930 1.00 0.00 N ATOM 1888 CA SER A 120 1.768 -8.201 15.568 1.00 0.00 C ATOM 1889 C SER A 120 1.598 -8.111 14.054 1.00 0.00 C ATOM 1890 O SER A 120 0.496 -8.274 13.531 1.00 0.00 O ATOM 1891 CB SER A 120 1.090 -7.006 16.241 1.00 0.00 C ATOM 1892 OG SER A 120 -0.321 -7.133 16.205 1.00 0.00 O ATOM 0 H SER A 120 3.570 -7.361 16.233 1.00 0.00 H new ATOM 0 HA SER A 120 1.296 -9.120 15.915 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.425 -6.929 17.275 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.388 -6.085 15.740 1.00 0.00 H new ATOM 0 HG SER A 120 -0.636 -7.026 15.283 1.00 0.00 H new ATOM 1898 N TYR A 121 2.699 -7.850 13.357 1.00 0.00 N ATOM 1899 CA TYR A 121 2.673 -7.735 11.904 1.00 0.00 C ATOM 1900 C TYR A 121 2.161 -9.022 11.264 1.00 0.00 C ATOM 1901 O TYR A 121 1.041 -9.074 10.755 1.00 0.00 O ATOM 1902 CB TYR A 121 4.070 -7.408 11.373 1.00 0.00 C ATOM 1903 CG TYR A 121 4.225 -7.650 9.888 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.518 -6.892 8.963 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.079 -8.637 9.411 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.656 -7.111 7.606 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.225 -8.861 8.055 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.511 -8.096 7.157 1.00 0.00 C ATOM 1909 OH TYR A 121 4.652 -8.316 5.806 1.00 0.00 O ATOM 0 H TYR A 121 3.620 -7.714 13.775 1.00 0.00 H new ATOM 0 HA TYR A 121 1.993 -6.925 11.641 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.296 -6.364 11.588 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.804 -8.010 11.909 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.849 -6.119 9.311 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.638 -9.239 10.112 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.097 -6.514 6.900 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.895 -9.631 7.701 1.00 0.00 H new ATOM 0 HH TYR A 121 5.292 -9.043 5.658 1.00 0.00 H new ATOM 1919 N THR A 122 2.991 -10.061 11.295 1.00 0.00 N ATOM 1920 CA THR A 122 2.624 -11.348 10.719 1.00 0.00 C ATOM 1921 C THR A 122 1.283 -11.831 11.259 1.00 0.00 C ATOM 1922 O THR A 122 0.525 -12.499 10.557 1.00 0.00 O ATOM 1923 CB THR A 122 3.696 -12.417 11.006 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.638 -13.448 10.014 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.498 -13.024 12.387 1.00 0.00 C ATOM 0 H THR A 122 3.921 -10.035 11.713 1.00 0.00 H new ATOM 0 HA THR A 122 2.546 -11.201 9.642 1.00 0.00 H new ATOM 0 HB THR A 122 4.674 -11.937 10.974 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.323 -14.123 10.203 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.266 -13.776 12.567 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.572 -12.242 13.142 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.514 -13.490 12.442 1.00 0.00 H new ATOM 1933 N SER A 123 0.997 -11.488 12.511 1.00 0.00 N ATOM 1934 CA SER A 123 -0.253 -11.889 13.147 1.00 0.00 C ATOM 1935 C SER A 123 -1.452 -11.466 12.304 1.00 0.00 C ATOM 1936 O SER A 123 -2.504 -12.103 12.340 1.00 0.00 O ATOM 1937 CB SER A 123 -0.357 -11.278 14.546 1.00 0.00 C ATOM 1938 OG SER A 123 -1.116 -12.107 15.409 1.00 0.00 O ATOM 0 H SER A 123 1.614 -10.934 13.105 1.00 0.00 H new ATOM 0 HA SER A 123 -0.256 -12.976 13.232 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.642 -11.135 14.959 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.820 -10.293 14.483 1.00 0.00 H new ATOM 0 HG SER A 123 -1.167 -11.696 16.297 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.283 -10.387 11.546 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.352 -9.878 10.694 1.00 0.00 C ATOM 1946 C GLU A 124 -2.416 -10.653 9.381 1.00 0.00 C ATOM 1947 O GLU A 124 -3.488 -11.079 8.951 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.142 -8.389 10.411 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.780 -7.477 11.446 1.00 0.00 C ATOM 1950 CD GLU A 124 -2.231 -7.704 12.841 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -2.530 -8.763 13.432 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -1.501 -6.823 13.341 1.00 0.00 O ATOM 0 H GLU A 124 -0.417 -9.849 11.504 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.297 -10.011 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.072 -8.183 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.552 -8.153 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.616 -6.438 11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.858 -7.639 11.453 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.261 -10.831 8.748 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.185 -11.554 7.485 1.00 0.00 C ATOM 1961 C VAL A 125 -1.882 -12.907 7.583 1.00 0.00 C ATOM 1962 O VAL A 125 -2.554 -13.339 6.646 1.00 0.00 O ATOM 1963 CB VAL A 125 0.276 -11.773 7.050 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.335 -12.566 5.753 1.00 0.00 C ATOM 1965 CG2 VAL A 125 0.992 -10.439 6.901 1.00 0.00 C ATOM 0 H VAL A 125 -0.365 -10.484 9.090 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.691 -10.941 6.739 1.00 0.00 H new ATOM 0 HB VAL A 125 0.784 -12.349 7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.375 -12.710 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.139 -13.537 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.189 -12.020 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.023 -10.612 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.485 -9.836 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 125 0.982 -9.912 7.855 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.718 -13.569 8.723 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.332 -14.873 8.943 1.00 0.00 C ATOM 1977 C GLN A 126 -3.837 -14.739 9.148 1.00 0.00 C ATOM 1978 O GLN A 126 -4.627 -15.395 8.470 1.00 0.00 O ATOM 1979 CB GLN A 126 -1.700 -15.560 10.155 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.183 -15.463 10.187 1.00 0.00 C ATOM 1981 CD GLN A 126 0.491 -16.619 9.474 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.131 -17.648 9.211 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.770 -16.455 9.157 1.00 0.00 N ATOM 0 H GLN A 126 -1.166 -13.224 9.508 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.157 -15.482 8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.103 -15.116 11.065 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.989 -16.611 10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.127 -14.526 9.725 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.154 -15.434 11.223 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.247 -15.585 9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.276 -17.199 8.676 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.228 -13.884 10.089 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.638 -13.663 10.382 1.00 0.00 C ATOM 1994 C ALA A 127 -6.415 -13.323 9.115 1.00 0.00 C ATOM 1995 O ALA A 127 -7.578 -13.700 8.969 1.00 0.00 O ATOM 1996 CB ALA A 127 -5.795 -12.555 11.413 1.00 0.00 C ATOM 0 H ALA A 127 -3.587 -13.334 10.661 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.048 -14.586 10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.853 -12.400 11.623 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.281 -12.837 12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.364 -11.633 11.024 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.766 -12.608 8.202 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.397 -12.218 6.947 1.00 0.00 C ATOM 2004 C ILE A 128 -6.553 -13.415 6.015 1.00 0.00 C ATOM 2005 O ILE A 128 -7.654 -13.713 5.548 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.588 -11.123 6.227 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.534 -9.854 7.080 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.196 -10.826 4.864 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.485 -8.864 6.624 1.00 0.00 C ATOM 0 H ILE A 128 -4.804 -12.287 8.308 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.382 -11.825 7.198 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.570 -11.482 6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.511 -9.371 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.336 -10.130 8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.614 -10.050 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.188 -11.731 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.223 -10.484 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.503 -7.989 7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.501 -9.330 6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.694 -8.559 5.599 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.446 -14.099 5.749 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.460 -15.266 4.874 1.00 0.00 C ATOM 2023 C LEU A 129 -6.619 -16.194 5.222 1.00 0.00 C ATOM 2024 O LEU A 129 -7.369 -16.622 4.345 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.135 -16.023 4.980 1.00 0.00 C ATOM 2026 CG LEU A 129 -2.935 -15.378 4.284 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -1.643 -16.060 4.707 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -3.101 -15.436 2.773 1.00 0.00 C ATOM 0 H LEU A 129 -4.528 -13.866 6.126 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.592 -14.919 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -3.894 -16.147 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.276 -17.021 4.566 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.884 -14.331 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.800 -15.588 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.518 -15.966 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.683 -17.115 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.238 -14.973 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.178 -16.476 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.006 -14.901 2.486 1.00 0.00 H new ATOM 2040 N ALA A 130 -6.759 -16.500 6.507 1.00 0.00 N ATOM 2041 CA ALA A 130 -7.829 -17.374 6.972 1.00 0.00 C ATOM 2042 C ALA A 130 -9.180 -16.668 6.913 1.00 0.00 C ATOM 2043 O ALA A 130 -10.111 -17.141 6.261 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.543 -17.853 8.388 1.00 0.00 C ATOM 0 H ALA A 130 -6.145 -16.156 7.245 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.871 -18.239 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.351 -18.505 8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.603 -18.404 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.471 -16.994 9.055 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.279 -15.534 7.599 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.517 -14.763 7.626 1.00 0.00 C ATOM 2052 C PHE A 131 -11.157 -14.714 6.242 1.00 0.00 C ATOM 2053 O PHE A 131 -12.362 -14.926 6.095 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.247 -13.343 8.126 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.487 -12.503 8.244 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -12.250 -12.529 9.400 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.889 -11.688 7.199 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -13.391 -11.757 9.512 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -13.029 -10.913 7.305 1.00 0.00 C ATOM 2060 CZ PHE A 131 -13.782 -10.949 8.463 1.00 0.00 C ATOM 0 H PHE A 131 -8.518 -15.129 8.143 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.208 -15.256 8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -9.760 -13.396 9.099 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.549 -12.854 7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -11.950 -13.160 10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -11.305 -11.657 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -13.976 -11.786 10.419 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -13.331 -10.280 6.484 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.674 -10.346 8.547 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.344 -14.432 5.230 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.830 -14.354 3.857 1.00 0.00 C ATOM 2072 C LEU A 132 -11.484 -15.666 3.436 1.00 0.00 C ATOM 2073 O LEU A 132 -12.617 -15.680 2.954 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.680 -14.016 2.907 1.00 0.00 C ATOM 2075 CG LEU A 132 -9.108 -12.603 3.021 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.851 -12.466 2.176 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -10.147 -11.572 2.605 1.00 0.00 C ATOM 0 H LEU A 132 -9.345 -14.254 5.334 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.579 -13.564 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -8.873 -14.728 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -10.025 -14.165 1.884 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.842 -12.422 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.458 -11.454 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.102 -13.179 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -8.091 -12.667 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.722 -10.572 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.444 -11.751 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -11.020 -11.653 3.253 1.00 0.00 H new ATOM 2089 N SER A 133 -10.764 -16.767 3.622 1.00 0.00 N ATOM 2090 CA SER A 133 -11.274 -18.085 3.259 1.00 0.00 C ATOM 2091 C SER A 133 -12.634 -18.336 3.903 1.00 0.00 C ATOM 2092 O SER A 133 -13.558 -18.831 3.255 1.00 0.00 O ATOM 2093 CB SER A 133 -10.286 -19.172 3.686 1.00 0.00 C ATOM 2094 OG SER A 133 -10.408 -20.322 2.867 1.00 0.00 O ATOM 0 H SER A 133 -9.826 -16.773 4.022 1.00 0.00 H new ATOM 0 HA SER A 133 -11.392 -18.117 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.268 -18.786 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.465 -19.442 4.727 1.00 0.00 H new ATOM 0 HG SER A 133 -9.765 -21.001 3.159 1.00 0.00 H new ATOM 2100 N LEU A 134 -12.750 -17.993 5.181 1.00 0.00 N ATOM 2101 CA LEU A 134 -13.997 -18.181 5.914 1.00 0.00 C ATOM 2102 C LEU A 134 -15.189 -17.705 5.091 1.00 0.00 C ATOM 2103 O LEU A 134 -16.281 -18.266 5.181 1.00 0.00 O ATOM 2104 CB LEU A 134 -13.948 -17.428 7.244 1.00 0.00 C ATOM 2105 CG LEU A 134 -12.741 -17.720 8.137 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -12.795 -16.875 9.400 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -12.681 -19.200 8.485 1.00 0.00 C ATOM 0 H LEU A 134 -11.995 -17.583 5.731 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.117 -19.246 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -13.969 -16.359 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -14.854 -17.661 7.804 1.00 0.00 H new ATOM 0 HG LEU A 134 -11.836 -17.459 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.928 -17.096 10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -12.789 -15.819 9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -13.707 -17.104 9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.816 -19.390 9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -13.590 -19.487 9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -12.594 -19.786 7.570 1.00 0.00 H new