USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc= 0.155 X(o=-2.8,f=-2.8) USER MOD Set 1.2: A 83 GLN : amide:sc= -2.99! C(o=-2.8!,f=-4.2!) USER MOD Set 2.1: A 28 THR OG1 : rot -122:sc= 0.066 USER MOD Set 2.2: A 40 SER OG : rot -178:sc= 0.065 USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00196) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.158 (180deg=-0.628) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.09 F(o=-1.7,f=-1.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.6!) USER MOD Single : A 51 CYS SG : rot 142:sc= -0.8 USER MOD Single : A 55 HIS : no HD1:sc= -3.98 K(o=-4,f=-4.8!) USER MOD Single : A 67 ASN : amide:sc= -0.935 K(o=-0.93,f=-2.8!) USER MOD Single : A 71 THR OG1 : rot 33:sc= -0.708 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.493 F(o=-1.2,f=-0.49) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -15.296 1.597 3.035 1.00 0.00 N ATOM 2 CA PRO A 9 -15.492 0.277 2.374 1.00 0.00 C ATOM 3 C PRO A 9 -14.218 -0.201 1.675 1.00 0.00 C ATOM 4 O PRO A 9 -13.193 0.484 1.703 1.00 0.00 O ATOM 5 CB PRO A 9 -16.631 0.429 1.369 1.00 0.00 C ATOM 6 CG PRO A 9 -16.916 1.893 1.354 1.00 0.00 C ATOM 7 CD PRO A 9 -16.462 2.429 2.691 1.00 0.00 C ATOM 0 HA PRO A 9 -15.736 -0.475 3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.341 0.070 0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.508 -0.144 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.385 2.384 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.979 2.080 1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.194 3.484 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.248 2.344 3.442 1.00 0.00 H new ATOM 17 N ILE A 10 -14.286 -1.377 1.053 1.00 0.00 N ATOM 18 CA ILE A 10 -13.133 -1.941 0.353 1.00 0.00 C ATOM 19 C ILE A 10 -12.941 -1.286 -1.017 1.00 0.00 C ATOM 20 O ILE A 10 -13.839 -1.308 -1.861 1.00 0.00 O ATOM 21 CB ILE A 10 -13.263 -3.474 0.192 1.00 0.00 C ATOM 22 CG1 ILE A 10 -11.980 -4.067 -0.402 1.00 0.00 C ATOM 23 CG2 ILE A 10 -14.470 -3.830 -0.668 1.00 0.00 C ATOM 24 CD1 ILE A 10 -11.592 -5.398 0.205 1.00 0.00 C ATOM 0 H ILE A 10 -15.125 -1.956 1.019 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.255 -1.733 0.964 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.414 -3.907 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.111 -4.191 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.163 -3.360 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.540 -4.913 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.377 -3.449 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.358 -3.382 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.676 -5.758 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.429 -5.276 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.392 -6.120 0.040 1.00 0.00 H new ATOM 36 N ARG A 11 -11.763 -0.697 -1.223 1.00 0.00 N ATOM 37 CA ARG A 11 -11.444 -0.029 -2.481 1.00 0.00 C ATOM 38 C ARG A 11 -10.307 -0.741 -3.208 1.00 0.00 C ATOM 39 O ARG A 11 -9.302 -1.112 -2.597 1.00 0.00 O ATOM 40 CB ARG A 11 -11.064 1.431 -2.222 1.00 0.00 C ATOM 41 CG ARG A 11 -11.439 2.372 -3.357 1.00 0.00 C ATOM 42 CD ARG A 11 -11.994 3.686 -2.830 1.00 0.00 C ATOM 43 NE ARG A 11 -13.326 3.971 -3.360 1.00 0.00 N ATOM 44 CZ ARG A 11 -14.452 3.428 -2.886 1.00 0.00 C ATOM 45 NH1 ARG A 11 -14.412 2.555 -1.879 1.00 0.00 N ATOM 46 NH2 ARG A 11 -15.622 3.755 -3.424 1.00 0.00 N ATOM 0 H ARG A 11 -11.013 -0.670 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.330 -0.063 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.552 1.767 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.989 1.492 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.562 2.567 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.180 1.894 -3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.037 3.650 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.317 4.498 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.401 4.624 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.517 2.296 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.276 2.146 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.660 4.419 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.482 3.342 -3.064 1.00 0.00 H new ATOM 60 N LYS A 12 -10.472 -0.925 -4.516 1.00 0.00 N ATOM 61 CA LYS A 12 -9.462 -1.591 -5.333 1.00 0.00 C ATOM 62 C LYS A 12 -8.858 -0.616 -6.344 1.00 0.00 C ATOM 63 O LYS A 12 -9.534 -0.177 -7.276 1.00 0.00 O ATOM 64 CB LYS A 12 -10.077 -2.793 -6.057 1.00 0.00 C ATOM 65 CG LYS A 12 -10.346 -3.981 -5.145 1.00 0.00 C ATOM 66 CD LYS A 12 -11.665 -3.834 -4.398 1.00 0.00 C ATOM 67 CE LYS A 12 -12.778 -4.632 -5.059 1.00 0.00 C ATOM 68 NZ LYS A 12 -13.551 -3.811 -6.035 1.00 0.00 N ATOM 0 H LYS A 12 -11.297 -0.621 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.665 -1.944 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.012 -2.485 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.408 -3.105 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.363 -4.896 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.531 -4.080 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.539 -4.169 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.946 -2.781 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.351 -5.495 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.453 -5.016 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.310 -4.388 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.966 -2.992 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.916 -3.480 -6.789 1.00 0.00 H new ATOM 82 N VAL A 13 -7.584 -0.279 -6.147 1.00 0.00 N ATOM 83 CA VAL A 13 -6.884 0.649 -7.034 1.00 0.00 C ATOM 84 C VAL A 13 -5.512 0.100 -7.427 1.00 0.00 C ATOM 85 O VAL A 13 -4.824 -0.517 -6.612 1.00 0.00 O ATOM 86 CB VAL A 13 -6.702 2.036 -6.374 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.148 3.042 -7.372 1.00 0.00 C ATOM 88 CG2 VAL A 13 -8.016 2.538 -5.787 1.00 0.00 C ATOM 0 H VAL A 13 -7.015 -0.636 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.500 0.760 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.984 1.927 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.029 4.010 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.180 2.698 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.838 3.140 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.860 3.515 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.760 2.623 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.369 1.836 -5.032 1.00 0.00 H new ATOM 98 N LEU A 14 -5.117 0.330 -8.680 1.00 0.00 N ATOM 99 CA LEU A 14 -3.825 -0.140 -9.177 1.00 0.00 C ATOM 100 C LEU A 14 -2.781 0.974 -9.125 1.00 0.00 C ATOM 101 O LEU A 14 -3.056 2.114 -9.506 1.00 0.00 O ATOM 102 CB LEU A 14 -3.959 -0.662 -10.611 1.00 0.00 C ATOM 103 CG LEU A 14 -4.680 -2.007 -10.752 1.00 0.00 C ATOM 104 CD1 LEU A 14 -6.172 -1.798 -10.970 1.00 0.00 C ATOM 105 CD2 LEU A 14 -4.078 -2.815 -11.893 1.00 0.00 C ATOM 0 H LEU A 14 -5.673 0.838 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.495 -0.954 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.493 0.082 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.962 -0.756 -11.041 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.548 -2.567 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.664 -2.765 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.592 -1.261 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.329 -1.218 -11.879 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.601 -3.767 -11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.179 -2.259 -12.825 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.022 -2.998 -11.692 1.00 0.00 H new ATOM 117 N LEU A 15 -1.583 0.635 -8.651 1.00 0.00 N ATOM 118 CA LEU A 15 -0.490 1.598 -8.545 1.00 0.00 C ATOM 119 C LEU A 15 0.597 1.312 -9.580 1.00 0.00 C ATOM 120 O LEU A 15 1.171 0.222 -9.608 1.00 0.00 O ATOM 121 CB LEU A 15 0.106 1.564 -7.134 1.00 0.00 C ATOM 122 CG LEU A 15 0.713 2.885 -6.649 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.380 3.895 -6.327 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.600 2.648 -5.434 1.00 0.00 C ATOM 0 H LEU A 15 -1.345 -0.304 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.893 2.592 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.674 1.263 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.878 0.795 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 15 1.328 3.295 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.074 4.825 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.972 4.088 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.025 3.496 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.023 3.596 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.006 2.214 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.406 1.964 -5.700 1.00 0.00 H new ATOM 136 N LEU A 16 0.878 2.302 -10.427 1.00 0.00 N ATOM 137 CA LEU A 16 1.899 2.165 -11.463 1.00 0.00 C ATOM 138 C LEU A 16 3.192 2.860 -11.041 1.00 0.00 C ATOM 139 O LEU A 16 3.226 4.081 -10.884 1.00 0.00 O ATOM 140 CB LEU A 16 1.393 2.750 -12.787 1.00 0.00 C ATOM 141 CG LEU A 16 1.956 2.097 -14.055 1.00 0.00 C ATOM 142 CD1 LEU A 16 3.468 2.268 -14.127 1.00 0.00 C ATOM 143 CD2 LEU A 16 1.577 0.623 -14.113 1.00 0.00 C ATOM 0 H LEU A 16 0.411 3.209 -10.415 1.00 0.00 H new ATOM 0 HA LEU A 16 2.107 1.104 -11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.306 2.668 -12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.633 3.813 -12.810 1.00 0.00 H new ATOM 0 HG LEU A 16 1.518 2.597 -14.918 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.845 1.797 -15.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.714 3.330 -14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.929 1.800 -13.257 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.986 0.178 -15.020 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.982 0.109 -13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.491 0.526 -14.119 1.00 0.00 H new ATOM 155 N LYS A 17 4.252 2.074 -10.855 1.00 0.00 N ATOM 156 CA LYS A 17 5.546 2.614 -10.446 1.00 0.00 C ATOM 157 C LYS A 17 6.658 2.149 -11.385 1.00 0.00 C ATOM 158 O LYS A 17 6.609 1.039 -11.919 1.00 0.00 O ATOM 159 CB LYS A 17 5.859 2.192 -9.006 1.00 0.00 C ATOM 160 CG LYS A 17 6.979 2.991 -8.352 1.00 0.00 C ATOM 161 CD LYS A 17 8.196 2.122 -8.066 1.00 0.00 C ATOM 162 CE LYS A 17 7.965 1.203 -6.873 1.00 0.00 C ATOM 163 NZ LYS A 17 7.676 1.963 -5.622 1.00 0.00 N ATOM 0 H LYS A 17 4.239 1.062 -10.981 1.00 0.00 H new ATOM 0 HA LYS A 17 5.493 3.702 -10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.956 2.294 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.129 1.136 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.266 3.816 -9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.618 3.430 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.431 1.523 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.060 2.758 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.133 0.533 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.846 0.579 -6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.842 1.351 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.300 2.793 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.684 2.275 -5.627 1.00 0.00 H new ATOM 177 N GLU A 18 7.657 3.008 -11.578 1.00 0.00 N ATOM 178 CA GLU A 18 8.790 2.697 -12.449 1.00 0.00 C ATOM 179 C GLU A 18 10.058 2.454 -11.633 1.00 0.00 C ATOM 180 O GLU A 18 10.144 2.854 -10.471 1.00 0.00 O ATOM 181 CB GLU A 18 9.029 3.842 -13.436 1.00 0.00 C ATOM 182 CG GLU A 18 8.396 3.624 -14.803 1.00 0.00 C ATOM 183 CD GLU A 18 7.133 4.440 -15.012 1.00 0.00 C ATOM 184 OE1 GLU A 18 7.157 5.658 -14.733 1.00 0.00 O ATOM 185 OE2 GLU A 18 6.121 3.860 -15.460 1.00 0.00 O ATOM 0 H GLU A 18 7.705 3.929 -11.141 1.00 0.00 H new ATOM 0 HA GLU A 18 8.550 1.787 -12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.636 4.764 -13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.103 3.981 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.119 3.881 -15.577 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.162 2.566 -14.924 1.00 0.00 H new ATOM 192 N ASP A 19 11.045 1.807 -12.259 1.00 0.00 N ATOM 193 CA ASP A 19 12.324 1.515 -11.602 1.00 0.00 C ATOM 194 C ASP A 19 12.983 2.798 -11.095 1.00 0.00 C ATOM 195 O ASP A 19 13.575 2.819 -10.014 1.00 0.00 O ATOM 196 CB ASP A 19 13.279 0.805 -12.570 1.00 0.00 C ATOM 197 CG ASP A 19 12.695 -0.469 -13.148 1.00 0.00 C ATOM 198 OD1 ASP A 19 11.852 -0.375 -14.067 1.00 0.00 O ATOM 199 OD2 ASP A 19 13.084 -1.561 -12.685 1.00 0.00 O ATOM 0 H ASP A 19 10.984 1.475 -13.221 1.00 0.00 H new ATOM 0 HA ASP A 19 12.118 0.862 -10.754 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.534 1.484 -13.384 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.207 0.569 -12.049 1.00 0.00 H new ATOM 204 N HIS A 20 12.872 3.864 -11.888 1.00 0.00 N ATOM 205 CA HIS A 20 13.450 5.160 -11.535 1.00 0.00 C ATOM 206 C HIS A 20 12.559 5.921 -10.543 1.00 0.00 C ATOM 207 O HIS A 20 13.052 6.730 -9.756 1.00 0.00 O ATOM 208 CB HIS A 20 13.674 6.001 -12.801 1.00 0.00 C ATOM 209 CG HIS A 20 12.416 6.310 -13.556 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.763 5.611 -14.516 1.00 0.00 N flip ATOM 211 CD2 HIS A 20 11.677 7.453 -13.349 1.00 0.00 C flip ATOM 212 CE1 HIS A 20 10.650 6.337 -14.864 1.00 0.00 C flip ATOM 213 NE2 HIS A 20 10.623 7.445 -14.145 1.00 0.00 N flip ATOM 0 H HIS A 20 12.384 3.854 -12.784 1.00 0.00 H new ATOM 0 HA HIS A 20 14.409 4.979 -11.050 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.158 6.937 -12.522 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.361 5.471 -13.461 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.921 8.235 -12.645 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.918 6.049 -15.604 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.909 8.172 -14.196 1.00 0.00 H new ATOM 222 N GLU A 21 11.245 5.664 -10.591 1.00 0.00 N ATOM 223 CA GLU A 21 10.290 6.330 -9.702 1.00 0.00 C ATOM 224 C GLU A 21 10.191 5.622 -8.350 1.00 0.00 C ATOM 225 O GLU A 21 10.649 4.488 -8.192 1.00 0.00 O ATOM 226 CB GLU A 21 8.908 6.392 -10.359 1.00 0.00 C ATOM 227 CG GLU A 21 8.711 7.611 -11.250 1.00 0.00 C ATOM 228 CD GLU A 21 8.049 8.774 -10.530 1.00 0.00 C ATOM 229 OE1 GLU A 21 7.092 8.539 -9.761 1.00 0.00 O ATOM 230 OE2 GLU A 21 8.491 9.925 -10.737 1.00 0.00 O ATOM 0 H GLU A 21 10.821 4.999 -11.237 1.00 0.00 H new ATOM 0 HA GLU A 21 10.654 7.342 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.756 5.490 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.145 6.394 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.679 7.933 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.103 7.331 -12.110 1.00 0.00 H new ATOM 237 N GLY A 22 9.587 6.309 -7.377 1.00 0.00 N ATOM 238 CA GLY A 22 9.429 5.748 -6.044 1.00 0.00 C ATOM 239 C GLY A 22 7.978 5.452 -5.700 1.00 0.00 C ATOM 240 O GLY A 22 7.105 5.504 -6.568 1.00 0.00 O ATOM 0 H GLY A 22 9.204 7.247 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.010 4.829 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.837 6.444 -5.311 1.00 0.00 H new ATOM 244 N LEU A 23 7.722 5.137 -4.429 1.00 0.00 N ATOM 245 CA LEU A 23 6.367 4.825 -3.967 1.00 0.00 C ATOM 246 C LEU A 23 5.465 6.061 -4.011 1.00 0.00 C ATOM 247 O LEU A 23 4.421 6.049 -4.665 1.00 0.00 O ATOM 248 CB LEU A 23 6.402 4.246 -2.547 1.00 0.00 C ATOM 249 CG LEU A 23 5.192 3.385 -2.172 1.00 0.00 C ATOM 250 CD1 LEU A 23 5.240 2.045 -2.893 1.00 0.00 C ATOM 251 CD2 LEU A 23 5.128 3.177 -0.666 1.00 0.00 C ATOM 0 H LEU A 23 8.435 5.091 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 23 5.951 4.078 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.305 3.645 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.478 5.069 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 23 4.290 3.911 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.371 1.449 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.233 2.211 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.150 1.514 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.262 2.563 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.035 2.676 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.041 4.143 -0.169 1.00 0.00 H new ATOM 263 N GLY A 24 5.872 7.122 -3.312 1.00 0.00 N ATOM 264 CA GLY A 24 5.086 8.348 -3.291 1.00 0.00 C ATOM 265 C GLY A 24 4.117 8.436 -2.119 1.00 0.00 C ATOM 266 O GLY A 24 3.336 9.383 -2.036 1.00 0.00 O ATOM 0 H GLY A 24 6.730 7.154 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.763 9.202 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.524 8.424 -4.222 1.00 0.00 H new ATOM 270 N ILE A 25 4.159 7.456 -1.213 1.00 0.00 N ATOM 271 CA ILE A 25 3.272 7.448 -0.051 1.00 0.00 C ATOM 272 C ILE A 25 3.969 6.863 1.177 1.00 0.00 C ATOM 273 O ILE A 25 4.908 6.075 1.051 1.00 0.00 O ATOM 274 CB ILE A 25 1.979 6.647 -0.324 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.315 5.242 -0.834 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.099 7.382 -1.324 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.152 4.276 -0.760 1.00 0.00 C ATOM 0 H ILE A 25 4.796 6.661 -1.263 1.00 0.00 H new ATOM 0 HA ILE A 25 3.010 8.488 0.144 1.00 0.00 H new ATOM 0 HB ILE A 25 1.429 6.550 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.654 5.311 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.146 4.843 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.193 6.804 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.832 8.360 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.641 7.509 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.463 3.302 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.827 4.177 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.327 4.653 -1.365 1.00 0.00 H new ATOM 289 N SER A 26 3.500 7.256 2.361 1.00 0.00 N ATOM 290 CA SER A 26 4.070 6.775 3.618 1.00 0.00 C ATOM 291 C SER A 26 3.065 5.910 4.380 1.00 0.00 C ATOM 292 O SER A 26 1.877 6.234 4.445 1.00 0.00 O ATOM 293 CB SER A 26 4.510 7.958 4.484 1.00 0.00 C ATOM 294 OG SER A 26 5.470 8.753 3.807 1.00 0.00 O ATOM 0 H SER A 26 2.724 7.908 2.475 1.00 0.00 H new ATOM 0 HA SER A 26 4.940 6.161 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.644 8.567 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.931 7.591 5.420 1.00 0.00 H new ATOM 0 HG SER A 26 5.735 9.504 4.379 1.00 0.00 H new ATOM 300 N ILE A 27 3.550 4.806 4.951 1.00 0.00 N ATOM 301 CA ILE A 27 2.694 3.887 5.704 1.00 0.00 C ATOM 302 C ILE A 27 3.092 3.828 7.179 1.00 0.00 C ATOM 303 O ILE A 27 4.241 4.100 7.535 1.00 0.00 O ATOM 304 CB ILE A 27 2.739 2.461 5.114 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.188 1.989 4.950 1.00 0.00 C ATOM 306 CG2 ILE A 27 2.003 2.413 3.780 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.330 0.487 4.838 1.00 0.00 C ATOM 0 H ILE A 27 4.530 4.527 4.907 1.00 0.00 H new ATOM 0 HA ILE A 27 1.679 4.276 5.625 1.00 0.00 H new ATOM 0 HB ILE A 27 2.238 1.786 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.613 2.453 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.773 2.338 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.044 1.401 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.963 2.703 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.475 3.101 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.383 0.229 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.936 0.016 5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.774 0.133 3.970 1.00 0.00 H new ATOM 319 N THR A 28 2.129 3.474 8.035 1.00 0.00 N ATOM 320 CA THR A 28 2.370 3.384 9.474 1.00 0.00 C ATOM 321 C THR A 28 1.709 2.137 10.073 1.00 0.00 C ATOM 322 O THR A 28 0.832 1.530 9.455 1.00 0.00 O ATOM 323 CB THR A 28 1.851 4.649 10.173 1.00 0.00 C ATOM 324 OG1 THR A 28 0.433 4.672 10.194 1.00 0.00 O ATOM 325 CG2 THR A 28 2.314 5.931 9.512 1.00 0.00 C ATOM 0 H THR A 28 1.175 3.245 7.754 1.00 0.00 H new ATOM 0 HA THR A 28 3.445 3.301 9.633 1.00 0.00 H new ATOM 0 HB THR A 28 2.261 4.604 11.182 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.112 5.484 9.749 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.912 6.786 10.055 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.403 5.973 9.523 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.960 5.957 8.481 1.00 0.00 H new ATOM 333 N GLY A 29 2.138 1.765 11.284 1.00 0.00 N ATOM 334 CA GLY A 29 1.582 0.597 11.956 1.00 0.00 C ATOM 335 C GLY A 29 2.455 -0.639 11.807 1.00 0.00 C ATOM 336 O GLY A 29 3.678 -0.528 11.680 1.00 0.00 O ATOM 0 H GLY A 29 2.862 2.254 11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.453 0.820 13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.592 0.388 11.552 1.00 0.00 H new ATOM 340 N GLY A 30 1.828 -1.820 11.821 1.00 0.00 N ATOM 341 CA GLY A 30 2.572 -3.063 11.682 1.00 0.00 C ATOM 342 C GLY A 30 1.876 -4.248 12.332 1.00 0.00 C ATOM 343 O GLY A 30 1.562 -4.211 13.524 1.00 0.00 O ATOM 0 H GLY A 30 0.820 -1.935 11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.723 -3.273 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.560 -2.940 12.126 1.00 0.00 H new ATOM 347 N LYS A 31 1.641 -5.303 11.545 1.00 0.00 N ATOM 348 CA LYS A 31 0.982 -6.516 12.043 1.00 0.00 C ATOM 349 C LYS A 31 1.705 -7.082 13.267 1.00 0.00 C ATOM 350 O LYS A 31 1.075 -7.675 14.144 1.00 0.00 O ATOM 351 CB LYS A 31 0.916 -7.584 10.947 1.00 0.00 C ATOM 352 CG LYS A 31 -0.488 -8.108 10.675 1.00 0.00 C ATOM 353 CD LYS A 31 -1.146 -8.651 11.937 1.00 0.00 C ATOM 354 CE LYS A 31 -1.862 -9.968 11.673 1.00 0.00 C ATOM 355 NZ LYS A 31 -2.459 -10.544 12.913 1.00 0.00 N ATOM 0 H LYS A 31 1.898 -5.342 10.559 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.030 -6.239 12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.323 -7.169 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.556 -8.420 11.230 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.101 -7.307 10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.442 -8.895 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.390 -8.795 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.858 -7.920 12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.647 -9.811 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.159 -10.682 11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.936 -11.440 12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.708 -10.719 13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.150 -9.875 13.309 1.00 0.00 H new ATOM 369 N GLU A 32 3.026 -6.896 13.322 1.00 0.00 N ATOM 370 CA GLU A 32 3.825 -7.389 14.446 1.00 0.00 C ATOM 371 C GLU A 32 3.318 -6.822 15.775 1.00 0.00 C ATOM 372 O GLU A 32 3.410 -7.479 16.812 1.00 0.00 O ATOM 373 CB GLU A 32 5.303 -7.029 14.255 1.00 0.00 C ATOM 374 CG GLU A 32 5.540 -5.586 13.828 1.00 0.00 C ATOM 375 CD GLU A 32 6.999 -5.183 13.922 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.478 -4.940 15.050 1.00 0.00 O ATOM 377 OE2 GLU A 32 7.663 -5.109 12.866 1.00 0.00 O ATOM 0 H GLU A 32 3.563 -6.409 12.604 1.00 0.00 H new ATOM 0 HA GLU A 32 3.724 -8.474 14.474 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.834 -7.213 15.189 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.734 -7.694 13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.195 -5.453 12.803 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.943 -4.923 14.454 1.00 0.00 H new ATOM 384 N HIS A 33 2.776 -5.604 15.732 1.00 0.00 N ATOM 385 CA HIS A 33 2.245 -4.952 16.928 1.00 0.00 C ATOM 386 C HIS A 33 0.803 -5.387 17.209 1.00 0.00 C ATOM 387 O HIS A 33 0.325 -5.270 18.338 1.00 0.00 O ATOM 388 CB HIS A 33 2.305 -3.428 16.777 1.00 0.00 C ATOM 389 CG HIS A 33 3.688 -2.895 16.540 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.807 -3.389 17.178 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.129 -1.901 15.731 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.873 -2.722 16.775 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.490 -1.815 15.896 1.00 0.00 N ATOM 0 H HIS A 33 2.694 -5.049 14.880 1.00 0.00 H new ATOM 0 HA HIS A 33 2.865 -5.256 17.771 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.664 -3.129 15.948 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.898 -2.967 17.677 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.523 -1.290 15.078 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.886 -2.890 17.108 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.105 -1.157 15.417 1.00 0.00 H new ATOM 402 N GLY A 34 0.115 -5.885 16.179 1.00 0.00 N ATOM 403 CA GLY A 34 -1.263 -6.326 16.341 1.00 0.00 C ATOM 404 C GLY A 34 -2.259 -5.494 15.544 1.00 0.00 C ATOM 405 O GLY A 34 -3.455 -5.510 15.838 1.00 0.00 O ATOM 0 H GLY A 34 0.489 -5.990 15.236 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.342 -7.369 16.033 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.529 -6.285 17.397 1.00 0.00 H new ATOM 409 N VAL A 35 -1.772 -4.776 14.530 1.00 0.00 N ATOM 410 CA VAL A 35 -2.635 -3.947 13.689 1.00 0.00 C ATOM 411 C VAL A 35 -2.118 -3.898 12.250 1.00 0.00 C ATOM 412 O VAL A 35 -0.912 -3.798 12.023 1.00 0.00 O ATOM 413 CB VAL A 35 -2.742 -2.503 14.224 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.650 -2.443 15.442 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.364 -1.944 14.551 1.00 0.00 C ATOM 0 H VAL A 35 -0.785 -4.752 14.272 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.623 -4.408 13.711 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.183 -1.885 13.442 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.710 -1.416 15.801 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.647 -2.791 15.170 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.245 -3.079 16.229 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.464 -0.926 14.926 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.890 -2.566 15.311 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.750 -1.940 13.650 1.00 0.00 H new ATOM 425 N PRO A 36 -3.024 -3.957 11.253 1.00 0.00 N ATOM 426 CA PRO A 36 -2.642 -3.910 9.834 1.00 0.00 C ATOM 427 C PRO A 36 -1.924 -2.608 9.476 1.00 0.00 C ATOM 428 O PRO A 36 -2.070 -1.599 10.168 1.00 0.00 O ATOM 429 CB PRO A 36 -3.981 -4.008 9.089 1.00 0.00 C ATOM 430 CG PRO A 36 -4.936 -4.575 10.084 1.00 0.00 C ATOM 431 CD PRO A 36 -4.482 -4.071 11.423 1.00 0.00 C ATOM 0 HA PRO A 36 -1.944 -4.706 9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.310 -3.030 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.898 -4.649 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.956 -4.256 9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.930 -5.665 10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.937 -3.111 11.669 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.743 -4.762 12.225 1.00 0.00 H new ATOM 439 N ILE A 37 -1.142 -2.637 8.396 1.00 0.00 N ATOM 440 CA ILE A 37 -0.402 -1.456 7.957 1.00 0.00 C ATOM 441 C ILE A 37 -1.298 -0.535 7.126 1.00 0.00 C ATOM 442 O ILE A 37 -1.911 -0.971 6.151 1.00 0.00 O ATOM 443 CB ILE A 37 0.849 -1.836 7.130 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.691 -2.891 7.862 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.686 -0.598 6.837 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.372 -4.315 7.458 1.00 0.00 C ATOM 0 H ILE A 37 -1.006 -3.462 7.812 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.074 -0.933 8.856 1.00 0.00 H new ATOM 0 HB ILE A 37 0.515 -2.265 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.746 -2.697 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.537 -2.785 8.936 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.563 -0.881 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.090 0.118 6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.005 -0.144 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.007 -5.003 8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.325 -4.529 7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.554 -4.440 6.391 1.00 0.00 H new ATOM 458 N LEU A 38 -1.378 0.737 7.523 1.00 0.00 N ATOM 459 CA LEU A 38 -2.212 1.711 6.817 1.00 0.00 C ATOM 460 C LEU A 38 -1.391 2.909 6.331 1.00 0.00 C ATOM 461 O LEU A 38 -0.282 3.151 6.808 1.00 0.00 O ATOM 462 CB LEU A 38 -3.346 2.207 7.724 1.00 0.00 C ATOM 463 CG LEU A 38 -4.100 1.119 8.495 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.480 0.911 9.868 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.572 1.485 8.628 1.00 0.00 C ATOM 0 H LEU A 38 -0.877 1.115 8.327 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.634 1.205 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.930 2.914 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.062 2.757 7.113 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.023 0.186 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.029 0.135 10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.439 0.607 9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.527 1.842 10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.093 0.702 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.665 2.429 9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.013 1.587 7.636 1.00 0.00 H new ATOM 477 N ILE A 39 -1.958 3.660 5.385 1.00 0.00 N ATOM 478 CA ILE A 39 -1.300 4.843 4.831 1.00 0.00 C ATOM 479 C ILE A 39 -1.748 6.106 5.564 1.00 0.00 C ATOM 480 O ILE A 39 -2.947 6.378 5.668 1.00 0.00 O ATOM 481 CB ILE A 39 -1.603 5.007 3.324 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.365 3.688 2.582 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.752 6.119 2.724 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.079 3.604 1.250 1.00 0.00 C ATOM 0 H ILE A 39 -2.876 3.468 4.985 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.227 4.701 4.964 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.652 5.280 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.295 3.560 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.693 2.862 3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.980 6.219 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.970 7.058 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.303 5.876 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.864 2.643 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.153 3.699 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.734 4.409 0.601 1.00 0.00 H new ATOM 496 N SER A 40 -0.779 6.870 6.071 1.00 0.00 N ATOM 497 CA SER A 40 -1.068 8.107 6.799 1.00 0.00 C ATOM 498 C SER A 40 -0.654 9.346 5.998 1.00 0.00 C ATOM 499 O SER A 40 -1.310 10.386 6.080 1.00 0.00 O ATOM 500 CB SER A 40 -0.356 8.101 8.153 1.00 0.00 C ATOM 501 OG SER A 40 -1.058 7.307 9.094 1.00 0.00 O ATOM 0 H SER A 40 0.215 6.653 5.991 1.00 0.00 H new ATOM 0 HA SER A 40 -2.146 8.153 6.955 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.657 7.718 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.269 9.121 8.526 1.00 0.00 H new ATOM 0 HG SER A 40 -0.600 7.344 9.959 1.00 0.00 H new ATOM 507 N GLU A 41 0.438 9.239 5.234 1.00 0.00 N ATOM 508 CA GLU A 41 0.925 10.364 4.434 1.00 0.00 C ATOM 509 C GLU A 41 1.019 9.996 2.954 1.00 0.00 C ATOM 510 O GLU A 41 1.316 8.851 2.607 1.00 0.00 O ATOM 511 CB GLU A 41 2.296 10.821 4.943 1.00 0.00 C ATOM 512 CG GLU A 41 2.460 12.334 5.002 1.00 0.00 C ATOM 513 CD GLU A 41 3.916 12.760 5.039 1.00 0.00 C ATOM 514 OE1 GLU A 41 4.602 12.628 4.001 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.372 13.224 6.105 1.00 0.00 O ATOM 0 H GLU A 41 0.997 8.390 5.154 1.00 0.00 H new ATOM 0 HA GLU A 41 0.210 11.180 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.459 10.409 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.069 10.407 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.975 12.783 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.950 12.717 5.886 1.00 0.00 H new ATOM 522 N ILE A 42 0.772 10.979 2.087 1.00 0.00 N ATOM 523 CA ILE A 42 0.833 10.772 0.642 1.00 0.00 C ATOM 524 C ILE A 42 1.606 11.908 -0.032 1.00 0.00 C ATOM 525 O ILE A 42 1.148 13.052 -0.056 1.00 0.00 O ATOM 526 CB ILE A 42 -0.580 10.678 0.015 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.432 9.635 0.749 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.488 10.339 -1.468 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.307 10.225 1.834 1.00 0.00 C ATOM 0 H ILE A 42 0.527 11.930 2.363 1.00 0.00 H new ATOM 0 HA ILE A 42 1.349 9.826 0.477 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.062 11.650 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.063 9.118 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.775 8.886 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.491 10.277 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.076 11.116 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.017 9.381 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.881 9.430 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.681 10.717 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.989 10.953 1.395 1.00 0.00 H new ATOM 541 N HIS A 43 2.780 11.585 -0.575 1.00 0.00 N ATOM 542 CA HIS A 43 3.617 12.578 -1.246 1.00 0.00 C ATOM 543 C HIS A 43 3.009 12.998 -2.584 1.00 0.00 C ATOM 544 O HIS A 43 2.646 12.151 -3.402 1.00 0.00 O ATOM 545 CB HIS A 43 5.030 12.029 -1.466 1.00 0.00 C ATOM 546 CG HIS A 43 5.962 12.293 -0.322 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.565 13.516 -0.110 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.395 11.485 0.676 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.327 13.448 0.966 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.241 12.227 1.461 1.00 0.00 N ATOM 0 H HIS A 43 3.172 10.644 -0.563 1.00 0.00 H new ATOM 0 HA HIS A 43 3.672 13.456 -0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.971 10.954 -1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.445 12.471 -2.372 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.125 10.450 0.826 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.920 14.254 1.372 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.725 11.890 2.293 1.00 0.00 H new ATOM 559 N PRO A 44 2.891 14.319 -2.822 1.00 0.00 N ATOM 560 CA PRO A 44 2.324 14.855 -4.066 1.00 0.00 C ATOM 561 C PRO A 44 3.280 14.726 -5.251 1.00 0.00 C ATOM 562 O PRO A 44 4.497 14.653 -5.073 1.00 0.00 O ATOM 563 CB PRO A 44 2.079 16.328 -3.735 1.00 0.00 C ATOM 564 CG PRO A 44 3.089 16.656 -2.689 1.00 0.00 C ATOM 565 CD PRO A 44 3.300 15.395 -1.895 1.00 0.00 C ATOM 0 HA PRO A 44 1.427 14.314 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.203 16.957 -4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.065 16.488 -3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.022 16.991 -3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.737 17.464 -2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.340 15.285 -1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.698 15.390 -0.986 1.00 0.00 H new ATOM 573 N GLY A 45 2.717 14.704 -6.459 1.00 0.00 N ATOM 574 CA GLY A 45 3.526 14.588 -7.663 1.00 0.00 C ATOM 575 C GLY A 45 4.048 13.179 -7.886 1.00 0.00 C ATOM 576 O GLY A 45 5.145 12.994 -8.414 1.00 0.00 O ATOM 0 H GLY A 45 1.712 14.765 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.932 14.892 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.368 15.277 -7.597 1.00 0.00 H new ATOM 580 N GLN A 46 3.257 12.185 -7.487 1.00 0.00 N ATOM 581 CA GLN A 46 3.632 10.784 -7.644 1.00 0.00 C ATOM 582 C GLN A 46 2.437 9.968 -8.142 1.00 0.00 C ATOM 583 O GLN A 46 1.329 10.496 -8.249 1.00 0.00 O ATOM 584 CB GLN A 46 4.146 10.225 -6.312 1.00 0.00 C ATOM 585 CG GLN A 46 5.647 9.973 -6.301 1.00 0.00 C ATOM 586 CD GLN A 46 6.377 10.771 -5.232 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.222 10.236 -4.514 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.056 12.057 -5.120 1.00 0.00 N ATOM 0 H GLN A 46 2.346 12.327 -7.050 1.00 0.00 H new ATOM 0 HA GLN A 46 4.430 10.713 -8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.896 10.923 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.627 9.292 -6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.830 8.910 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.059 10.224 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.350 12.462 -5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.516 12.638 -4.419 1.00 0.00 H new ATOM 597 N PRO A 47 2.639 8.667 -8.451 1.00 0.00 N ATOM 598 CA PRO A 47 1.561 7.791 -8.934 1.00 0.00 C ATOM 599 C PRO A 47 0.315 7.840 -8.046 1.00 0.00 C ATOM 600 O PRO A 47 -0.806 7.696 -8.534 1.00 0.00 O ATOM 601 CB PRO A 47 2.190 6.399 -8.890 1.00 0.00 C ATOM 602 CG PRO A 47 3.649 6.642 -9.051 1.00 0.00 C ATOM 603 CD PRO A 47 3.928 7.948 -8.357 1.00 0.00 C ATOM 0 HA PRO A 47 1.212 8.090 -9.923 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.973 5.896 -7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.803 5.764 -9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.231 5.833 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.923 6.693 -10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.229 7.796 -7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.732 8.499 -8.845 1.00 0.00 H new ATOM 611 N ALA A 48 0.523 8.049 -6.744 1.00 0.00 N ATOM 612 CA ALA A 48 -0.579 8.125 -5.787 1.00 0.00 C ATOM 613 C ALA A 48 -1.523 9.279 -6.123 1.00 0.00 C ATOM 614 O ALA A 48 -2.744 9.113 -6.125 1.00 0.00 O ATOM 615 CB ALA A 48 -0.036 8.281 -4.374 1.00 0.00 C ATOM 0 H ALA A 48 1.447 8.169 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.147 7.197 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.866 8.337 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.592 7.424 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.556 9.194 -4.310 1.00 0.00 H new ATOM 621 N ASP A 49 -0.949 10.447 -6.410 1.00 0.00 N ATOM 622 CA ASP A 49 -1.738 11.629 -6.751 1.00 0.00 C ATOM 623 C ASP A 49 -2.406 11.466 -8.115 1.00 0.00 C ATOM 624 O ASP A 49 -3.582 11.789 -8.280 1.00 0.00 O ATOM 625 CB ASP A 49 -0.857 12.881 -6.748 1.00 0.00 C ATOM 626 CG ASP A 49 -1.602 14.110 -6.266 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.399 14.668 -7.051 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.389 14.515 -5.105 1.00 0.00 O ATOM 0 H ASP A 49 0.060 10.599 -6.413 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.516 11.741 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.010 12.711 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.480 13.059 -7.755 1.00 0.00 H new ATOM 633 N ARG A 50 -1.648 10.958 -9.088 1.00 0.00 N ATOM 634 CA ARG A 50 -2.165 10.744 -10.440 1.00 0.00 C ATOM 635 C ARG A 50 -3.375 9.806 -10.436 1.00 0.00 C ATOM 636 O ARG A 50 -4.277 9.950 -11.260 1.00 0.00 O ATOM 637 CB ARG A 50 -1.068 10.171 -11.341 1.00 0.00 C ATOM 638 CG ARG A 50 -0.061 11.206 -11.815 1.00 0.00 C ATOM 639 CD ARG A 50 -0.679 12.170 -12.815 1.00 0.00 C ATOM 640 NE ARG A 50 -0.017 13.474 -12.803 1.00 0.00 N ATOM 641 CZ ARG A 50 1.124 13.744 -13.446 1.00 0.00 C ATOM 642 NH1 ARG A 50 1.748 12.797 -14.147 1.00 0.00 N ATOM 643 NH2 ARG A 50 1.645 14.965 -13.385 1.00 0.00 N ATOM 0 H ARG A 50 -0.673 10.687 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.486 11.710 -10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.540 9.385 -10.800 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.532 9.704 -12.210 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.320 11.763 -10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.791 10.703 -12.272 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.618 11.742 -13.816 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.737 12.299 -12.587 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.454 14.226 -12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.356 11.857 -14.196 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.618 13.013 -14.634 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.175 15.694 -12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.515 15.173 -13.875 1.00 0.00 H new ATOM 657 N CYS A 51 -3.388 8.847 -9.507 1.00 0.00 N ATOM 658 CA CYS A 51 -4.491 7.895 -9.407 1.00 0.00 C ATOM 659 C CYS A 51 -5.717 8.526 -8.742 1.00 0.00 C ATOM 660 O CYS A 51 -6.848 8.115 -9.002 1.00 0.00 O ATOM 661 CB CYS A 51 -4.055 6.659 -8.616 1.00 0.00 C ATOM 662 SG CYS A 51 -4.609 5.094 -9.333 1.00 0.00 S ATOM 0 H CYS A 51 -2.649 8.711 -8.817 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.765 7.600 -10.420 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.967 6.650 -8.546 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.439 6.737 -7.599 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.675 4.200 -9.198 1.00 0.00 H new ATOM 668 N GLY A 52 -5.487 9.518 -7.878 1.00 0.00 N ATOM 669 CA GLY A 52 -6.585 10.176 -7.188 1.00 0.00 C ATOM 670 C GLY A 52 -7.301 9.262 -6.198 1.00 0.00 C ATOM 671 O GLY A 52 -8.426 9.550 -5.788 1.00 0.00 O ATOM 0 H GLY A 52 -4.560 9.875 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.203 11.048 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.303 10.539 -7.923 1.00 0.00 H new ATOM 675 N GLY A 53 -6.647 8.158 -5.817 1.00 0.00 N ATOM 676 CA GLY A 53 -7.243 7.216 -4.879 1.00 0.00 C ATOM 677 C GLY A 53 -6.480 7.114 -3.567 1.00 0.00 C ATOM 678 O GLY A 53 -7.073 6.840 -2.523 1.00 0.00 O ATOM 0 H GLY A 53 -5.715 7.902 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.269 7.519 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.289 6.231 -5.343 1.00 0.00 H new ATOM 682 N LEU A 54 -5.163 7.332 -3.616 1.00 0.00 N ATOM 683 CA LEU A 54 -4.330 7.260 -2.417 1.00 0.00 C ATOM 684 C LEU A 54 -4.714 8.357 -1.421 1.00 0.00 C ATOM 685 O LEU A 54 -4.272 9.503 -1.540 1.00 0.00 O ATOM 686 CB LEU A 54 -2.846 7.370 -2.791 1.00 0.00 C ATOM 687 CG LEU A 54 -2.024 6.094 -2.583 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.023 5.692 -1.117 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.555 4.960 -3.451 1.00 0.00 C ATOM 0 H LEU A 54 -4.654 7.559 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.499 6.294 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.773 7.664 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.398 8.171 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.996 6.298 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.434 4.784 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.588 6.494 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.046 5.510 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.956 4.065 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.593 4.756 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.497 5.247 -4.501 1.00 0.00 H new ATOM 701 N HIS A 55 -5.549 7.995 -0.446 1.00 0.00 N ATOM 702 CA HIS A 55 -6.012 8.936 0.573 1.00 0.00 C ATOM 703 C HIS A 55 -5.523 8.532 1.963 1.00 0.00 C ATOM 704 O HIS A 55 -5.212 7.364 2.207 1.00 0.00 O ATOM 705 CB HIS A 55 -7.546 9.023 0.562 1.00 0.00 C ATOM 706 CG HIS A 55 -8.231 7.696 0.732 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.142 6.945 1.885 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.005 6.979 -0.120 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.824 5.826 1.733 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.358 5.820 0.525 1.00 0.00 N ATOM 0 H HIS A 55 -5.920 7.051 -0.341 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.596 9.915 0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.868 9.692 1.360 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.868 9.470 -0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.291 7.267 -1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.928 5.046 2.472 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.937 5.076 0.135 1.00 0.00 H new ATOM 719 N VAL A 56 -5.464 9.504 2.872 1.00 0.00 N ATOM 720 CA VAL A 56 -5.020 9.250 4.242 1.00 0.00 C ATOM 721 C VAL A 56 -6.016 8.347 4.974 1.00 0.00 C ATOM 722 O VAL A 56 -7.224 8.593 4.946 1.00 0.00 O ATOM 723 CB VAL A 56 -4.849 10.562 5.043 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.300 10.277 6.435 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.948 11.542 4.304 1.00 0.00 C ATOM 0 H VAL A 56 -5.718 10.474 2.685 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.052 8.754 4.174 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.833 11.020 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.188 11.214 6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.989 9.625 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.330 9.788 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.846 12.455 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.966 11.093 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.387 11.780 3.335 1.00 0.00 H new ATOM 735 N GLY A 57 -5.502 7.304 5.626 1.00 0.00 N ATOM 736 CA GLY A 57 -6.357 6.380 6.357 1.00 0.00 C ATOM 737 C GLY A 57 -6.760 5.168 5.533 1.00 0.00 C ATOM 738 O GLY A 57 -7.922 4.754 5.558 1.00 0.00 O ATOM 0 H GLY A 57 -4.507 7.082 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.838 6.046 7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.254 6.905 6.684 1.00 0.00 H new ATOM 742 N ASP A 58 -5.797 4.594 4.807 1.00 0.00 N ATOM 743 CA ASP A 58 -6.055 3.416 3.979 1.00 0.00 C ATOM 744 C ASP A 58 -5.327 2.193 4.534 1.00 0.00 C ATOM 745 O ASP A 58 -4.099 2.190 4.623 1.00 0.00 O ATOM 746 CB ASP A 58 -5.619 3.672 2.530 1.00 0.00 C ATOM 747 CG ASP A 58 -6.758 3.532 1.531 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.797 2.927 1.880 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.608 4.029 0.394 1.00 0.00 O ATOM 0 H ASP A 58 -4.833 4.926 4.777 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.127 3.220 3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.199 4.675 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.825 2.973 2.267 1.00 0.00 H new ATOM 754 N ALA A 59 -6.084 1.158 4.905 1.00 0.00 N ATOM 755 CA ALA A 59 -5.493 -0.064 5.453 1.00 0.00 C ATOM 756 C ALA A 59 -5.216 -1.094 4.356 1.00 0.00 C ATOM 757 O ALA A 59 -6.126 -1.497 3.628 1.00 0.00 O ATOM 758 CB ALA A 59 -6.400 -0.660 6.523 1.00 0.00 C ATOM 0 H ALA A 59 -7.102 1.142 4.836 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.539 0.204 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.946 -1.568 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.534 0.061 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.369 -0.900 6.086 1.00 0.00 H new ATOM 764 N ILE A 60 -3.955 -1.520 4.249 1.00 0.00 N ATOM 765 CA ILE A 60 -3.553 -2.509 3.245 1.00 0.00 C ATOM 766 C ILE A 60 -4.066 -3.902 3.605 1.00 0.00 C ATOM 767 O ILE A 60 -3.999 -4.318 4.763 1.00 0.00 O ATOM 768 CB ILE A 60 -2.015 -2.584 3.087 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.412 -1.190 2.888 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.646 -3.491 1.920 1.00 0.00 C ATOM 771 CD1 ILE A 60 0.012 -1.076 3.388 1.00 0.00 C ATOM 0 H ILE A 60 -3.194 -1.195 4.846 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.994 -2.181 2.304 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.602 -3.004 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.439 -0.938 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.031 -0.457 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.561 -3.534 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.034 -4.493 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.079 -3.096 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.378 -0.064 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.042 -1.297 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.643 -1.786 2.853 1.00 0.00 H new ATOM 783 N LEU A 61 -4.565 -4.620 2.600 1.00 0.00 N ATOM 784 CA LEU A 61 -5.078 -5.973 2.799 1.00 0.00 C ATOM 785 C LEU A 61 -4.391 -6.959 1.851 1.00 0.00 C ATOM 786 O LEU A 61 -3.861 -7.981 2.290 1.00 0.00 O ATOM 787 CB LEU A 61 -6.595 -6.003 2.588 1.00 0.00 C ATOM 788 CG LEU A 61 -7.418 -5.322 3.686 1.00 0.00 C ATOM 789 CD1 LEU A 61 -8.848 -5.093 3.220 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.400 -6.152 4.963 1.00 0.00 C ATOM 0 H LEU A 61 -4.625 -4.286 1.638 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.860 -6.274 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.823 -5.525 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.914 -7.042 2.508 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.967 -4.353 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.416 -4.608 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.845 -4.456 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.309 -6.050 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.990 -5.651 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.824 -7.136 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.373 -6.263 5.310 1.00 0.00 H new ATOM 802 N ALA A 62 -4.400 -6.646 0.553 1.00 0.00 N ATOM 803 CA ALA A 62 -3.774 -7.506 -0.450 1.00 0.00 C ATOM 804 C ALA A 62 -2.973 -6.690 -1.466 1.00 0.00 C ATOM 805 O ALA A 62 -3.353 -5.571 -1.818 1.00 0.00 O ATOM 806 CB ALA A 62 -4.828 -8.348 -1.157 1.00 0.00 C ATOM 0 H ALA A 62 -4.834 -5.804 0.174 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.079 -8.169 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.347 -8.983 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.345 -8.971 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.547 -7.693 -1.649 1.00 0.00 H new ATOM 812 N VAL A 63 -1.864 -7.264 -1.934 1.00 0.00 N ATOM 813 CA VAL A 63 -1.003 -6.605 -2.913 1.00 0.00 C ATOM 814 C VAL A 63 -0.685 -7.554 -4.066 1.00 0.00 C ATOM 815 O VAL A 63 -0.050 -8.592 -3.868 1.00 0.00 O ATOM 816 CB VAL A 63 0.319 -6.118 -2.280 1.00 0.00 C ATOM 817 CG1 VAL A 63 1.106 -5.266 -3.267 1.00 0.00 C ATOM 818 CG2 VAL A 63 0.049 -5.344 -0.996 1.00 0.00 C ATOM 0 H VAL A 63 -1.541 -8.188 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.547 -5.737 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 63 0.919 -6.993 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.034 -4.933 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.337 -5.856 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.512 -4.398 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.994 -5.010 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.575 -4.478 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.465 -5.989 -0.284 1.00 0.00 H new ATOM 828 N ASN A 64 -1.140 -7.194 -5.269 1.00 0.00 N ATOM 829 CA ASN A 64 -0.922 -8.011 -6.463 1.00 0.00 C ATOM 830 C ASN A 64 -1.518 -9.411 -6.288 1.00 0.00 C ATOM 831 O ASN A 64 -0.971 -10.398 -6.786 1.00 0.00 O ATOM 832 CB ASN A 64 0.575 -8.106 -6.785 1.00 0.00 C ATOM 833 CG ASN A 64 0.843 -8.080 -8.279 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.362 -8.938 -9.022 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.613 -7.096 -8.732 1.00 0.00 N ATOM 0 H ASN A 64 -1.665 -6.336 -5.441 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.429 -7.527 -7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.101 -7.278 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.978 -9.026 -6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.825 -7.031 -9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.992 -6.405 -8.084 1.00 0.00 H new ATOM 842 N GLY A 65 -2.643 -9.491 -5.573 1.00 0.00 N ATOM 843 CA GLY A 65 -3.291 -10.772 -5.342 1.00 0.00 C ATOM 844 C GLY A 65 -2.766 -11.503 -4.109 1.00 0.00 C ATOM 845 O GLY A 65 -3.407 -12.437 -3.622 1.00 0.00 O ATOM 0 H GLY A 65 -3.115 -8.691 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.364 -10.614 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.150 -11.405 -6.218 1.00 0.00 H new ATOM 849 N VAL A 66 -1.605 -11.082 -3.599 1.00 0.00 N ATOM 850 CA VAL A 66 -1.010 -11.709 -2.419 1.00 0.00 C ATOM 851 C VAL A 66 -1.527 -11.054 -1.138 1.00 0.00 C ATOM 852 O VAL A 66 -1.598 -9.828 -1.044 1.00 0.00 O ATOM 853 CB VAL A 66 0.532 -11.629 -2.459 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.148 -12.476 -1.353 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.053 -12.066 -3.822 1.00 0.00 C ATOM 0 H VAL A 66 -1.060 -10.311 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.303 -12.759 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 66 0.824 -10.592 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.235 -12.404 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.803 -12.115 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.848 -13.516 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.141 -12.003 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.747 -13.094 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.645 -11.414 -4.594 1.00 0.00 H new ATOM 865 N ASN A 67 -1.895 -11.883 -0.160 1.00 0.00 N ATOM 866 CA ASN A 67 -2.418 -11.389 1.115 1.00 0.00 C ATOM 867 C ASN A 67 -1.316 -10.738 1.949 1.00 0.00 C ATOM 868 O ASN A 67 -0.239 -11.310 2.125 1.00 0.00 O ATOM 869 CB ASN A 67 -3.066 -12.534 1.909 1.00 0.00 C ATOM 870 CG ASN A 67 -4.490 -12.222 2.336 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.863 -11.059 2.495 1.00 0.00 O ATOM 872 ND2 ASN A 67 -5.297 -13.262 2.525 1.00 0.00 N ATOM 0 H ASN A 67 -1.841 -12.899 -0.226 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.173 -10.634 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.064 -13.438 1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.464 -12.743 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.264 -13.112 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.949 -14.210 2.383 1.00 0.00 H new ATOM 879 N LEU A 68 -1.598 -9.540 2.463 1.00 0.00 N ATOM 880 CA LEU A 68 -0.637 -8.805 3.286 1.00 0.00 C ATOM 881 C LEU A 68 -1.160 -8.582 4.713 1.00 0.00 C ATOM 882 O LEU A 68 -0.485 -7.955 5.531 1.00 0.00 O ATOM 883 CB LEU A 68 -0.305 -7.457 2.632 1.00 0.00 C ATOM 884 CG LEU A 68 0.985 -6.789 3.129 1.00 0.00 C ATOM 885 CD1 LEU A 68 2.163 -7.153 2.237 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.811 -5.277 3.194 1.00 0.00 C ATOM 0 H LEU A 68 -2.486 -9.058 2.323 1.00 0.00 H new ATOM 0 HA LEU A 68 0.268 -9.409 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.228 -7.603 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.137 -6.774 2.802 1.00 0.00 H new ATOM 0 HG LEU A 68 1.194 -7.158 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.065 -6.668 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.304 -8.234 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.965 -6.818 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.735 -4.819 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.574 -4.895 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.001 -5.033 3.879 1.00 0.00 H new ATOM 898 N ARG A 69 -2.360 -9.096 5.015 1.00 0.00 N ATOM 899 CA ARG A 69 -2.946 -8.938 6.351 1.00 0.00 C ATOM 900 C ARG A 69 -2.216 -9.789 7.395 1.00 0.00 C ATOM 901 O ARG A 69 -2.202 -9.444 8.577 1.00 0.00 O ATOM 902 CB ARG A 69 -4.439 -9.299 6.348 1.00 0.00 C ATOM 903 CG ARG A 69 -4.743 -10.692 5.811 1.00 0.00 C ATOM 904 CD ARG A 69 -6.035 -11.254 6.392 1.00 0.00 C ATOM 905 NE ARG A 69 -6.472 -12.460 5.684 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.698 -12.987 5.772 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.619 -12.440 6.562 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.002 -14.071 5.067 1.00 0.00 N ATOM 0 H ARG A 69 -2.939 -9.620 4.358 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.834 -7.888 6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.822 -9.222 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.978 -8.565 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.820 -10.654 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.916 -11.361 6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.888 -11.485 7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.817 -10.497 6.337 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.795 -12.930 5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.393 -11.609 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.550 -12.852 6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.301 -14.498 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.936 -14.476 5.131 1.00 0.00 H new ATOM 922 N ASP A 70 -1.626 -10.906 6.961 1.00 0.00 N ATOM 923 CA ASP A 70 -0.915 -11.802 7.876 1.00 0.00 C ATOM 924 C ASP A 70 0.607 -11.590 7.849 1.00 0.00 C ATOM 925 O ASP A 70 1.350 -12.364 8.456 1.00 0.00 O ATOM 926 CB ASP A 70 -1.244 -13.263 7.546 1.00 0.00 C ATOM 927 CG ASP A 70 -1.548 -14.087 8.785 1.00 0.00 C ATOM 928 OD1 ASP A 70 -0.868 -13.891 9.816 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.469 -14.930 8.726 1.00 0.00 O ATOM 0 H ASP A 70 -1.626 -11.210 5.987 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.256 -11.563 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.101 -13.296 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.404 -13.710 7.014 1.00 0.00 H new ATOM 934 N THR A 71 1.072 -10.546 7.159 1.00 0.00 N ATOM 935 CA THR A 71 2.507 -10.261 7.083 1.00 0.00 C ATOM 936 C THR A 71 2.878 -9.068 7.963 1.00 0.00 C ATOM 937 O THR A 71 2.091 -8.135 8.123 1.00 0.00 O ATOM 938 CB THR A 71 2.927 -9.998 5.635 1.00 0.00 C ATOM 939 OG1 THR A 71 1.934 -9.258 4.947 1.00 0.00 O ATOM 940 CG2 THR A 71 3.176 -11.267 4.850 1.00 0.00 C ATOM 0 H THR A 71 0.482 -9.889 6.649 1.00 0.00 H new ATOM 0 HA THR A 71 3.041 -11.137 7.451 1.00 0.00 H new ATOM 0 HB THR A 71 3.859 -9.437 5.702 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.489 -8.648 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.470 -11.013 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.973 -11.839 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.265 -11.865 4.826 1.00 0.00 H new ATOM 948 N LYS A 72 4.086 -9.111 8.532 1.00 0.00 N ATOM 949 CA LYS A 72 4.575 -8.037 9.403 1.00 0.00 C ATOM 950 C LYS A 72 4.906 -6.781 8.596 1.00 0.00 C ATOM 951 O LYS A 72 5.094 -6.850 7.382 1.00 0.00 O ATOM 952 CB LYS A 72 5.820 -8.492 10.175 1.00 0.00 C ATOM 953 CG LYS A 72 5.667 -9.841 10.863 1.00 0.00 C ATOM 954 CD LYS A 72 4.705 -9.771 12.041 1.00 0.00 C ATOM 955 CE LYS A 72 5.310 -10.385 13.297 1.00 0.00 C ATOM 956 NZ LYS A 72 5.561 -11.848 13.145 1.00 0.00 N ATOM 0 H LYS A 72 4.745 -9.879 8.405 1.00 0.00 H new ATOM 0 HA LYS A 72 3.780 -7.800 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.663 -8.541 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.064 -7.740 10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.307 -10.577 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.642 -10.184 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.441 -8.731 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.782 -10.293 11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.247 -9.880 13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.639 -10.219 14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.973 -12.223 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.664 -12.335 12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.222 -12.007 12.358 1.00 0.00 H new ATOM 970 N HIS A 73 4.984 -5.634 9.280 1.00 0.00 N ATOM 971 CA HIS A 73 5.301 -4.362 8.621 1.00 0.00 C ATOM 972 C HIS A 73 6.599 -4.470 7.821 1.00 0.00 C ATOM 973 O HIS A 73 6.641 -4.110 6.644 1.00 0.00 O ATOM 974 CB HIS A 73 5.421 -3.233 9.651 1.00 0.00 C ATOM 975 CG HIS A 73 5.427 -1.860 9.048 1.00 0.00 C ATOM 976 ND1 HIS A 73 4.408 -1.021 8.744 1.00 0.00 N flip ATOM 977 CD2 HIS A 73 6.584 -1.197 8.695 1.00 0.00 C flip ATOM 978 CE1 HIS A 73 4.963 0.120 8.220 1.00 0.00 C flip ATOM 979 NE2 HIS A 73 6.276 -0.010 8.201 1.00 0.00 N flip ATOM 0 H HIS A 73 4.833 -5.560 10.286 1.00 0.00 H new ATOM 0 HA HIS A 73 4.485 -4.131 7.936 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.592 -3.307 10.355 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.338 -3.372 10.223 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.585 -1.587 8.805 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.414 0.985 7.878 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.940 0.687 7.863 1.00 0.00 H new ATOM 988 N LYS A 74 7.653 -4.972 8.467 1.00 0.00 N ATOM 989 CA LYS A 74 8.952 -5.133 7.814 1.00 0.00 C ATOM 990 C LYS A 74 8.842 -6.058 6.602 1.00 0.00 C ATOM 991 O LYS A 74 9.408 -5.777 5.545 1.00 0.00 O ATOM 992 CB LYS A 74 9.989 -5.685 8.798 1.00 0.00 C ATOM 993 CG LYS A 74 10.235 -4.789 10.004 1.00 0.00 C ATOM 994 CD LYS A 74 11.449 -3.896 9.797 1.00 0.00 C ATOM 995 CE LYS A 74 12.675 -4.438 10.519 1.00 0.00 C ATOM 996 NZ LYS A 74 12.878 -3.790 11.846 1.00 0.00 N ATOM 0 H LYS A 74 7.632 -5.274 9.441 1.00 0.00 H new ATOM 0 HA LYS A 74 9.278 -4.150 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.659 -6.664 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.931 -5.835 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.355 -4.172 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.382 -5.404 10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.662 -3.812 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.228 -2.892 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.569 -5.514 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.558 -4.280 9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.723 -4.189 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.006 -2.766 11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.047 -3.962 12.447 1.00 0.00 H new ATOM 1010 N GLU A 75 8.104 -7.157 6.761 1.00 0.00 N ATOM 1011 CA GLU A 75 7.912 -8.117 5.677 1.00 0.00 C ATOM 1012 C GLU A 75 7.086 -7.502 4.545 1.00 0.00 C ATOM 1013 O GLU A 75 7.350 -7.755 3.369 1.00 0.00 O ATOM 1014 CB GLU A 75 7.227 -9.381 6.202 1.00 0.00 C ATOM 1015 CG GLU A 75 8.050 -10.136 7.238 1.00 0.00 C ATOM 1016 CD GLU A 75 8.235 -11.601 6.888 1.00 0.00 C ATOM 1017 OE1 GLU A 75 8.746 -11.891 5.785 1.00 0.00 O ATOM 1018 OE2 GLU A 75 7.869 -12.459 7.719 1.00 0.00 O ATOM 0 H GLU A 75 7.630 -7.403 7.630 1.00 0.00 H new ATOM 0 HA GLU A 75 8.892 -8.384 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.267 -9.108 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.017 -10.045 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.028 -9.664 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.562 -10.058 8.210 1.00 0.00 H new ATOM 1025 N ALA A 76 6.092 -6.689 4.908 1.00 0.00 N ATOM 1026 CA ALA A 76 5.234 -6.035 3.921 1.00 0.00 C ATOM 1027 C ALA A 76 6.027 -5.066 3.045 1.00 0.00 C ATOM 1028 O ALA A 76 5.700 -4.875 1.874 1.00 0.00 O ATOM 1029 CB ALA A 76 4.092 -5.302 4.609 1.00 0.00 C ATOM 0 H ALA A 76 5.862 -6.469 5.877 1.00 0.00 H new ATOM 0 HA ALA A 76 4.821 -6.812 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.464 -4.821 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.495 -6.013 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.498 -4.546 5.281 1.00 0.00 H new ATOM 1035 N VAL A 77 7.076 -4.462 3.612 1.00 0.00 N ATOM 1036 CA VAL A 77 7.913 -3.524 2.864 1.00 0.00 C ATOM 1037 C VAL A 77 8.576 -4.229 1.683 1.00 0.00 C ATOM 1038 O VAL A 77 8.655 -3.680 0.582 1.00 0.00 O ATOM 1039 CB VAL A 77 9.006 -2.890 3.755 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.741 -1.788 3.003 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.405 -2.351 5.047 1.00 0.00 C ATOM 0 H VAL A 77 7.363 -4.606 4.580 1.00 0.00 H new ATOM 0 HA VAL A 77 7.260 -2.729 2.504 1.00 0.00 H new ATOM 0 HB VAL A 77 9.726 -3.666 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.506 -1.355 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.211 -2.206 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.033 -1.013 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.192 -1.910 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.659 -1.592 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.933 -3.166 5.596 1.00 0.00 H new ATOM 1051 N THR A 78 9.033 -5.457 1.918 1.00 0.00 N ATOM 1052 CA THR A 78 9.672 -6.253 0.876 1.00 0.00 C ATOM 1053 C THR A 78 8.669 -6.601 -0.223 1.00 0.00 C ATOM 1054 O THR A 78 8.998 -6.557 -1.408 1.00 0.00 O ATOM 1055 CB THR A 78 10.265 -7.533 1.471 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.214 -7.225 2.478 1.00 0.00 O ATOM 1057 CG2 THR A 78 10.950 -8.413 0.446 1.00 0.00 C ATOM 0 H THR A 78 8.972 -5.922 2.824 1.00 0.00 H new ATOM 0 HA THR A 78 10.477 -5.663 0.439 1.00 0.00 H new ATOM 0 HB THR A 78 9.416 -8.079 1.881 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.580 -8.056 2.847 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.347 -9.302 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.231 -8.710 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.766 -7.861 -0.020 1.00 0.00 H new ATOM 1065 N ILE A 79 7.439 -6.935 0.182 1.00 0.00 N ATOM 1066 CA ILE A 79 6.385 -7.279 -0.772 1.00 0.00 C ATOM 1067 C ILE A 79 6.144 -6.129 -1.745 1.00 0.00 C ATOM 1068 O ILE A 79 6.009 -6.344 -2.951 1.00 0.00 O ATOM 1069 CB ILE A 79 5.051 -7.627 -0.070 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.259 -8.714 0.993 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.015 -8.071 -1.096 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.905 -9.977 0.463 1.00 0.00 C ATOM 0 H ILE A 79 7.152 -6.974 1.160 1.00 0.00 H new ATOM 0 HA ILE A 79 6.731 -8.160 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 79 4.683 -6.732 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.878 -8.310 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.294 -8.968 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.081 -8.313 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.842 -7.266 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.380 -8.952 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.018 -10.696 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.277 -10.407 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.885 -9.739 0.050 1.00 0.00 H new ATOM 1084 N LEU A 80 6.103 -4.908 -1.211 1.00 0.00 N ATOM 1085 CA LEU A 80 5.891 -3.716 -2.029 1.00 0.00 C ATOM 1086 C LEU A 80 7.005 -3.567 -3.064 1.00 0.00 C ATOM 1087 O LEU A 80 6.742 -3.275 -4.230 1.00 0.00 O ATOM 1088 CB LEU A 80 5.828 -2.464 -1.148 1.00 0.00 C ATOM 1089 CG LEU A 80 4.742 -2.473 -0.067 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.966 -1.335 0.918 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.359 -2.375 -0.698 1.00 0.00 C ATOM 0 H LEU A 80 6.214 -4.720 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 80 4.941 -3.829 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.796 -2.332 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.671 -1.597 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 80 4.802 -3.416 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.187 -1.354 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.940 -1.451 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.932 -0.383 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.601 -2.383 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.284 -1.448 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.202 -3.224 -1.364 1.00 0.00 H new ATOM 1103 N SER A 81 8.251 -3.780 -2.631 1.00 0.00 N ATOM 1104 CA SER A 81 9.401 -3.678 -3.528 1.00 0.00 C ATOM 1105 C SER A 81 9.362 -4.770 -4.600 1.00 0.00 C ATOM 1106 O SER A 81 9.824 -4.560 -5.722 1.00 0.00 O ATOM 1107 CB SER A 81 10.712 -3.770 -2.741 1.00 0.00 C ATOM 1108 OG SER A 81 11.813 -3.349 -3.530 1.00 0.00 O ATOM 0 H SER A 81 8.486 -4.023 -1.669 1.00 0.00 H new ATOM 0 HA SER A 81 9.351 -2.707 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.646 -3.153 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.870 -4.796 -2.410 1.00 0.00 H new ATOM 0 HG SER A 81 12.637 -3.416 -3.004 1.00 0.00 H new ATOM 1114 N GLN A 82 8.804 -5.934 -4.251 1.00 0.00 N ATOM 1115 CA GLN A 82 8.704 -7.052 -5.192 1.00 0.00 C ATOM 1116 C GLN A 82 7.780 -6.707 -6.364 1.00 0.00 C ATOM 1117 O GLN A 82 7.945 -7.233 -7.465 1.00 0.00 O ATOM 1118 CB GLN A 82 8.193 -8.315 -4.485 1.00 0.00 C ATOM 1119 CG GLN A 82 9.036 -8.739 -3.292 1.00 0.00 C ATOM 1120 CD GLN A 82 9.759 -10.054 -3.522 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.139 -11.070 -3.834 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.078 -10.042 -3.364 1.00 0.00 N ATOM 0 H GLN A 82 8.416 -6.125 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 82 9.704 -7.243 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.170 -8.144 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.161 -9.134 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.767 -7.961 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.396 -8.830 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.553 -9.177 -3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.616 -10.898 -3.502 1.00 0.00 H new ATOM 1131 N GLN A 83 6.809 -5.824 -6.120 1.00 0.00 N ATOM 1132 CA GLN A 83 5.862 -5.414 -7.158 1.00 0.00 C ATOM 1133 C GLN A 83 6.581 -4.712 -8.309 1.00 0.00 C ATOM 1134 O GLN A 83 7.442 -3.858 -8.088 1.00 0.00 O ATOM 1135 CB GLN A 83 4.785 -4.491 -6.576 1.00 0.00 C ATOM 1136 CG GLN A 83 4.145 -5.010 -5.294 1.00 0.00 C ATOM 1137 CD GLN A 83 3.663 -6.445 -5.412 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.305 -6.905 -6.494 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.653 -7.163 -4.294 1.00 0.00 N ATOM 0 H GLN A 83 6.658 -5.380 -5.214 1.00 0.00 H new ATOM 0 HA GLN A 83 5.384 -6.314 -7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.227 -3.514 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.006 -4.343 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.867 -4.940 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.303 -4.370 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.958 -6.744 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.340 -8.134 -4.314 1.00 0.00 H new ATOM 1148 N ARG A 84 6.219 -5.078 -9.540 1.00 0.00 N ATOM 1149 CA ARG A 84 6.829 -4.485 -10.728 1.00 0.00 C ATOM 1150 C ARG A 84 5.770 -4.104 -11.760 1.00 0.00 C ATOM 1151 O ARG A 84 4.767 -4.802 -11.919 1.00 0.00 O ATOM 1152 CB ARG A 84 7.845 -5.449 -11.355 1.00 0.00 C ATOM 1153 CG ARG A 84 7.352 -6.887 -11.472 1.00 0.00 C ATOM 1154 CD ARG A 84 6.667 -7.143 -12.808 1.00 0.00 C ATOM 1155 NE ARG A 84 7.580 -6.958 -13.937 1.00 0.00 N ATOM 1156 CZ ARG A 84 8.478 -7.866 -14.330 1.00 0.00 C ATOM 1157 NH1 ARG A 84 8.595 -9.024 -13.684 1.00 0.00 N ATOM 1158 NH2 ARG A 84 9.264 -7.613 -15.371 1.00 0.00 N ATOM 0 H ARG A 84 5.507 -5.781 -9.739 1.00 0.00 H new ATOM 0 HA ARG A 84 7.347 -3.579 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.109 -5.085 -12.348 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.757 -5.437 -10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.194 -7.570 -11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.657 -7.100 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.272 -8.159 -12.824 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.817 -6.469 -12.915 1.00 0.00 H new ATOM 0 HE ARG A 84 7.527 -6.081 -14.456 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.997 -9.224 -12.882 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.283 -9.712 -13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.181 -6.727 -15.869 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.950 -8.305 -15.672 1.00 0.00 H new ATOM 1172 N GLY A 85 6.008 -2.992 -12.460 1.00 0.00 N ATOM 1173 CA GLY A 85 5.076 -2.527 -13.475 1.00 0.00 C ATOM 1174 C GLY A 85 3.675 -2.325 -12.932 1.00 0.00 C ATOM 1175 O GLY A 85 3.412 -1.350 -12.224 1.00 0.00 O ATOM 0 H GLY A 85 6.833 -2.405 -12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.439 -1.588 -13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.045 -3.248 -14.292 1.00 0.00 H new ATOM 1179 N GLU A 86 2.779 -3.256 -13.257 1.00 0.00 N ATOM 1180 CA GLU A 86 1.400 -3.189 -12.791 1.00 0.00 C ATOM 1181 C GLU A 86 1.290 -3.744 -11.376 1.00 0.00 C ATOM 1182 O GLU A 86 1.584 -4.916 -11.132 1.00 0.00 O ATOM 1183 CB GLU A 86 0.472 -3.962 -13.733 1.00 0.00 C ATOM 1184 CG GLU A 86 -1.007 -3.718 -13.461 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.879 -4.902 -13.835 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.639 -6.009 -13.307 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.804 -4.720 -14.653 1.00 0.00 O ATOM 0 H GLU A 86 2.986 -4.065 -13.842 1.00 0.00 H new ATOM 0 HA GLU A 86 1.093 -2.143 -12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.696 -3.681 -14.762 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.680 -5.028 -13.641 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.144 -3.492 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.334 -2.841 -14.020 1.00 0.00 H new ATOM 1194 N ILE A 87 0.872 -2.892 -10.445 1.00 0.00 N ATOM 1195 CA ILE A 87 0.728 -3.289 -9.051 1.00 0.00 C ATOM 1196 C ILE A 87 -0.717 -3.132 -8.587 1.00 0.00 C ATOM 1197 O ILE A 87 -1.290 -2.046 -8.673 1.00 0.00 O ATOM 1198 CB ILE A 87 1.647 -2.457 -8.131 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.037 -2.304 -8.763 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.747 -3.104 -6.756 1.00 0.00 C ATOM 1201 CD1 ILE A 87 3.984 -1.453 -7.946 1.00 0.00 C ATOM 0 H ILE A 87 0.627 -1.920 -10.633 1.00 0.00 H new ATOM 0 HA ILE A 87 1.018 -4.338 -8.986 1.00 0.00 H new ATOM 0 HB ILE A 87 1.215 -1.464 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.476 -3.292 -8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.930 -1.864 -9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.398 -2.506 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.755 -3.162 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.159 -4.108 -6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.946 -1.389 -8.454 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.567 -0.452 -7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.122 -1.903 -6.963 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.299 -4.221 -8.090 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.676 -4.200 -7.608 1.00 0.00 C ATOM 1215 C GLU A 88 -2.713 -3.932 -6.107 1.00 0.00 C ATOM 1216 O GLU A 88 -2.134 -4.683 -5.322 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.370 -5.530 -7.913 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.411 -5.437 -9.020 1.00 0.00 C ATOM 1219 CD GLU A 88 -4.323 -6.588 -10.006 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -4.307 -7.756 -9.559 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -4.273 -6.320 -11.225 1.00 0.00 O ATOM 0 H GLU A 88 -0.838 -5.128 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.204 -3.398 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.617 -6.266 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.850 -5.896 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.406 -5.420 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.284 -4.496 -9.555 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.395 -2.859 -5.716 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.502 -2.497 -4.308 1.00 0.00 C ATOM 1230 C PHE A 89 -4.937 -2.644 -3.810 1.00 0.00 C ATOM 1231 O PHE A 89 -5.875 -2.124 -4.420 1.00 0.00 O ATOM 1232 CB PHE A 89 -3.022 -1.059 -4.092 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.699 -0.965 -3.385 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.512 -1.122 -4.083 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.644 -0.716 -2.023 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.705 -1.033 -3.435 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.430 -0.627 -1.370 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.746 -0.784 -2.077 1.00 0.00 C ATOM 0 H PHE A 89 -3.880 -2.227 -6.353 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.869 -3.177 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.944 -0.562 -5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.772 -0.518 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.539 -1.316 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.561 -0.590 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.623 -1.158 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.400 -0.435 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.696 -0.712 -1.569 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.095 -3.342 -2.689 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.406 -3.547 -2.089 1.00 0.00 C ATOM 1250 C GLU A 90 -6.412 -3.006 -0.663 1.00 0.00 C ATOM 1251 O GLU A 90 -5.684 -3.501 0.202 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.774 -5.033 -2.102 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.520 -5.461 -3.359 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.902 -6.014 -3.065 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -9.665 -5.353 -2.328 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.224 -7.107 -3.575 1.00 0.00 O ATOM 0 H GLU A 90 -4.327 -3.776 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.151 -3.007 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.864 -5.626 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.389 -5.255 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.611 -4.607 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.935 -6.217 -3.883 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.220 -1.974 -0.434 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.309 -1.338 0.879 1.00 0.00 C ATOM 1265 C VAL A 91 -8.755 -0.989 1.233 1.00 0.00 C ATOM 1266 O VAL A 91 -9.648 -1.075 0.388 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.462 -0.046 0.923 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.973 -0.364 0.878 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.846 0.878 -0.224 1.00 0.00 C ATOM 0 H VAL A 91 -7.825 -1.559 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.926 -2.054 1.606 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.668 0.462 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.402 0.564 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.707 -0.984 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.743 -0.900 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.241 1.784 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.672 0.371 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.900 1.142 -0.141 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.976 -0.581 2.483 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.311 -0.203 2.945 1.00 0.00 C ATOM 1281 C VAL A 92 -10.274 1.140 3.674 1.00 0.00 C ATOM 1282 O VAL A 92 -9.409 1.368 4.522 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.925 -1.269 3.882 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.232 -2.547 3.115 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.006 -1.559 5.063 1.00 0.00 C ATOM 0 H VAL A 92 -8.248 -0.504 3.193 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.937 -0.123 2.056 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.860 -0.870 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.663 -3.284 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.941 -2.330 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.312 -2.944 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.464 -2.312 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.048 -1.928 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.848 -0.644 5.634 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.213 2.028 3.339 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.278 3.347 3.969 1.00 0.00 C ATOM 1297 C TYR A 93 -11.730 3.229 5.425 1.00 0.00 C ATOM 1298 O TYR A 93 -12.855 2.808 5.703 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.232 4.268 3.194 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.758 5.706 3.091 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.103 6.326 4.150 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -11.968 6.445 1.931 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.671 7.634 4.056 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.539 7.754 1.830 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.890 8.345 2.894 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.459 9.649 2.793 1.00 0.00 O ATOM 0 H TYR A 93 -11.935 1.858 2.639 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.278 3.781 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.368 3.869 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.208 4.252 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.929 5.774 5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.475 5.987 1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.164 8.099 4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.711 8.312 0.922 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.692 10.003 1.909 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.844 3.604 6.348 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.145 3.542 7.775 1.00 0.00 C ATOM 1318 C VAL A 94 -10.894 4.893 8.446 1.00 0.00 C ATOM 1319 O VAL A 94 -9.790 5.438 8.381 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.319 2.438 8.477 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -8.825 2.709 8.357 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -10.731 2.301 9.937 1.00 0.00 C ATOM 0 H VAL A 94 -9.911 3.954 6.131 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.202 3.294 7.874 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.527 1.493 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.270 1.917 8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.544 2.737 7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.591 3.667 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.137 1.519 10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.563 3.247 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.788 2.039 9.994 1.00 0.00 H new ATOM 1332 N ALA A 95 -11.934 5.432 9.081 1.00 0.00 N ATOM 1333 CA ALA A 95 -11.844 6.722 9.758 1.00 0.00 C ATOM 1334 C ALA A 95 -11.366 6.563 11.198 1.00 0.00 C ATOM 1335 O ALA A 95 -12.028 5.833 11.967 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.193 7.426 9.718 1.00 0.00 C ATOM 0 H ALA A 95 -12.852 4.992 9.140 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.109 7.331 9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.117 8.388 10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.490 7.585 8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.940 6.810 10.219 1.00 0.00 H new