USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 899 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 44 CYS SG : rot 57:sc= 1.47 USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= -2.84! C(o=-3.3!,f=-1.4!) USER MOD Set 2.1: A 25 TYR OH : rot -118:sc= 0.264 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -2.06 K(o=-1.8,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 1.15 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 41:sc= 0.362 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -133:sc= 1.06 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.8! C(o=-2.9!,f=-1.8!) USER MOD Single : A 21 GLN : amide:sc= -9.32! C(o=-9.3!,f=-18!) USER MOD Single : A 22 THR OG1 : rot -56:sc= 0.976 USER MOD Single : A 29 ASN : amide:sc= -0.441 K(o=-0.44,f=-3.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 70:sc= -0.933 USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0.142 (180deg=0.138) USER MOD Single : A 39 SER OG : rot 180:sc=-0.00358 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0564 X(o=-0.056,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.13) USER MOD Single : A 70 GLN : amide:sc= 0.143 X(o=0.14,f=-0.058) 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 86 MET CE :methyl -163:sc= 0 (180deg=-0.129) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -145:sc= -0.145 (180deg=-1.47) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0549) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -151:sc= -0.101 (180deg=-0.659) USER MOD Single : A 104 MET CE :methyl 162:sc= -0.112 (180deg=-0.579) USER MOD Single : A 105 TYR OH : rot -108:sc= 0.0747 USER MOD Single : A 107 THR OG1 : rot 75:sc= 0.834 USER MOD Single : A 108 GLN : amide:sc= -5.7! C(o=-5.7!,f=-6!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0836) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.959 -6.265 -2.479 1.00 0.00 N ATOM 2 CA GLY A 1 23.146 -6.175 -3.916 1.00 0.00 C ATOM 3 C GLY A 1 23.200 -7.536 -4.580 1.00 0.00 C ATOM 4 O GLY A 1 24.172 -8.274 -4.419 1.00 0.00 O ATOM 0 H1 GLY A 1 22.929 -5.308 -2.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.065 -6.756 -2.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.749 -6.795 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.332 -5.595 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.069 -5.635 -4.126 1.00 0.00 H new ATOM 8 N SER A 2 22.153 -7.870 -5.328 1.00 0.00 N ATOM 9 CA SER A 2 22.083 -9.154 -6.014 1.00 0.00 C ATOM 10 C SER A 2 20.999 -9.138 -7.088 1.00 0.00 C ATOM 11 O SER A 2 19.921 -8.578 -6.889 1.00 0.00 O ATOM 12 CB SER A 2 21.807 -10.278 -5.013 1.00 0.00 C ATOM 13 OG SER A 2 23.005 -10.717 -4.396 1.00 0.00 O ATOM 0 H SER A 2 21.342 -7.269 -5.474 1.00 0.00 H new ATOM 0 HA SER A 2 23.045 -9.333 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.109 -9.928 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.329 -11.114 -5.523 1.00 0.00 H new ATOM 0 HG SER A 2 23.599 -9.951 -4.252 1.00 0.00 H new ATOM 19 N SER A 3 21.294 -9.756 -8.227 1.00 0.00 N ATOM 20 CA SER A 3 20.348 -9.809 -9.335 1.00 0.00 C ATOM 21 C SER A 3 19.924 -11.247 -9.619 1.00 0.00 C ATOM 22 O SER A 3 20.535 -12.195 -9.126 1.00 0.00 O ATOM 23 CB SER A 3 20.965 -9.190 -10.591 1.00 0.00 C ATOM 24 OG SER A 3 21.416 -7.871 -10.340 1.00 0.00 O ATOM 0 H SER A 3 22.181 -10.227 -8.407 1.00 0.00 H new ATOM 0 HA SER A 3 19.464 -9.237 -9.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.799 -9.804 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.228 -9.179 -11.394 1.00 0.00 H new ATOM 0 HG SER A 3 21.808 -7.498 -11.157 1.00 0.00 H new ATOM 30 N GLY A 4 18.872 -11.401 -10.418 1.00 0.00 N ATOM 31 CA GLY A 4 18.384 -12.726 -10.754 1.00 0.00 C ATOM 32 C GLY A 4 17.666 -12.757 -12.089 1.00 0.00 C ATOM 33 O GLY A 4 17.407 -11.713 -12.687 1.00 0.00 O ATOM 0 H GLY A 4 18.349 -10.632 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.222 -13.423 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.707 -13.070 -9.972 1.00 0.00 H new ATOM 37 N SER A 5 17.346 -13.959 -12.558 1.00 0.00 N ATOM 38 CA SER A 5 16.658 -14.123 -13.834 1.00 0.00 C ATOM 39 C SER A 5 15.216 -13.633 -13.741 1.00 0.00 C ATOM 40 O SER A 5 14.655 -13.526 -12.651 1.00 0.00 O ATOM 41 CB SER A 5 16.684 -15.591 -14.266 1.00 0.00 C ATOM 42 OG SER A 5 18.007 -16.018 -14.540 1.00 0.00 O ATOM 0 H SER A 5 17.552 -14.833 -12.074 1.00 0.00 H new ATOM 0 HA SER A 5 17.179 -13.523 -14.580 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.253 -16.212 -13.481 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.065 -15.723 -15.153 1.00 0.00 H new ATOM 0 HG SER A 5 17.997 -16.959 -14.812 1.00 0.00 H new ATOM 48 N SER A 6 14.623 -13.338 -14.893 1.00 0.00 N ATOM 49 CA SER A 6 13.248 -12.856 -14.943 1.00 0.00 C ATOM 50 C SER A 6 12.385 -13.567 -13.905 1.00 0.00 C ATOM 51 O SER A 6 11.668 -12.929 -13.135 1.00 0.00 O ATOM 52 CB SER A 6 12.662 -13.067 -16.340 1.00 0.00 C ATOM 53 OG SER A 6 11.260 -12.861 -16.342 1.00 0.00 O ATOM 0 H SER A 6 15.073 -13.424 -15.804 1.00 0.00 H new ATOM 0 HA SER A 6 13.254 -11.790 -14.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.134 -12.381 -17.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.885 -14.078 -16.682 1.00 0.00 H new ATOM 0 HG SER A 6 10.910 -13.000 -17.247 1.00 0.00 H new ATOM 59 N GLY A 7 12.460 -14.895 -13.891 1.00 0.00 N ATOM 60 CA GLY A 7 11.681 -15.672 -12.944 1.00 0.00 C ATOM 61 C GLY A 7 10.190 -15.450 -13.100 1.00 0.00 C ATOM 62 O GLY A 7 9.759 -14.433 -13.643 1.00 0.00 O ATOM 0 H GLY A 7 13.046 -15.446 -14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.904 -16.731 -13.077 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.980 -15.409 -11.929 1.00 0.00 H new ATOM 66 N VAL A 8 9.398 -16.406 -12.625 1.00 0.00 N ATOM 67 CA VAL A 8 7.946 -16.311 -12.715 1.00 0.00 C ATOM 68 C VAL A 8 7.312 -16.263 -11.329 1.00 0.00 C ATOM 69 O VAL A 8 7.797 -16.893 -10.390 1.00 0.00 O ATOM 70 CB VAL A 8 7.353 -17.498 -13.497 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.302 -17.185 -14.985 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.159 -18.762 -13.238 1.00 0.00 C ATOM 0 H VAL A 8 9.738 -17.255 -12.174 1.00 0.00 H new ATOM 0 HA VAL A 8 7.722 -15.387 -13.247 1.00 0.00 H new ATOM 0 HB VAL A 8 6.334 -17.666 -13.150 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.880 -18.035 -15.521 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.679 -16.306 -15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.310 -16.989 -15.350 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.726 -19.591 -13.798 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.190 -18.608 -13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.139 -18.994 -12.173 1.00 0.00 H new ATOM 82 N ALA A 9 6.223 -15.510 -11.209 1.00 0.00 N ATOM 83 CA ALA A 9 5.520 -15.381 -9.939 1.00 0.00 C ATOM 84 C ALA A 9 6.501 -15.222 -8.782 1.00 0.00 C ATOM 85 O ALA A 9 6.359 -15.867 -7.743 1.00 0.00 O ATOM 86 CB ALA A 9 4.620 -16.586 -9.709 1.00 0.00 C ATOM 0 H ALA A 9 5.809 -14.980 -11.976 1.00 0.00 H new ATOM 0 HA ALA A 9 4.903 -14.484 -9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.101 -16.476 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.889 -16.653 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.224 -17.493 -9.690 1.00 0.00 H new ATOM 92 N ARG A 10 7.496 -14.361 -8.969 1.00 0.00 N ATOM 93 CA ARG A 10 8.502 -14.120 -7.942 1.00 0.00 C ATOM 94 C ARG A 10 8.440 -12.678 -7.448 1.00 0.00 C ATOM 95 O ARG A 10 7.668 -11.868 -7.962 1.00 0.00 O ATOM 96 CB ARG A 10 9.899 -14.425 -8.484 1.00 0.00 C ATOM 97 CG ARG A 10 10.402 -13.397 -9.485 1.00 0.00 C ATOM 98 CD ARG A 10 11.798 -13.740 -9.981 1.00 0.00 C ATOM 99 NE ARG A 10 12.837 -13.208 -9.103 1.00 0.00 N ATOM 100 CZ ARG A 10 13.300 -13.854 -8.039 1.00 0.00 C ATOM 101 NH1 ARG A 10 12.820 -15.049 -7.723 1.00 0.00 N ATOM 102 NH2 ARG A 10 14.247 -13.304 -7.289 1.00 0.00 N ATOM 0 H ARG A 10 7.627 -13.818 -9.823 1.00 0.00 H new ATOM 0 HA ARG A 10 8.293 -14.783 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.599 -14.480 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.889 -15.407 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.717 -13.345 -10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.411 -12.410 -9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.902 -14.823 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.934 -13.341 -10.986 1.00 0.00 H new ATOM 0 HE ARG A 10 13.228 -12.291 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.093 -15.475 -8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.178 -15.542 -6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.619 -12.385 -7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.603 -13.800 -6.472 1.00 0.00 H new ATOM 116 N SER A 11 9.257 -12.364 -6.448 1.00 0.00 N ATOM 117 CA SER A 11 9.292 -11.021 -5.882 1.00 0.00 C ATOM 118 C SER A 11 9.309 -9.967 -6.985 1.00 0.00 C ATOM 119 O SER A 11 10.277 -9.857 -7.738 1.00 0.00 O ATOM 120 CB SER A 11 10.519 -10.856 -4.983 1.00 0.00 C ATOM 121 OG SER A 11 11.709 -11.183 -5.679 1.00 0.00 O ATOM 0 H SER A 11 9.904 -13.022 -6.013 1.00 0.00 H new ATOM 0 HA SER A 11 8.391 -10.881 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.575 -9.828 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.420 -11.495 -4.106 1.00 0.00 H new ATOM 0 HG SER A 11 11.661 -10.832 -6.593 1.00 0.00 H new ATOM 127 N SER A 12 8.232 -9.194 -7.073 1.00 0.00 N ATOM 128 CA SER A 12 8.121 -8.150 -8.085 1.00 0.00 C ATOM 129 C SER A 12 8.835 -6.879 -7.636 1.00 0.00 C ATOM 130 O SER A 12 8.767 -6.494 -6.469 1.00 0.00 O ATOM 131 CB SER A 12 6.649 -7.847 -8.375 1.00 0.00 C ATOM 132 OG SER A 12 6.145 -8.695 -9.392 1.00 0.00 O ATOM 0 H SER A 12 7.424 -9.271 -6.456 1.00 0.00 H new ATOM 0 HA SER A 12 8.598 -8.510 -8.997 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.062 -7.976 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.542 -6.806 -8.679 1.00 0.00 H new ATOM 0 HG SER A 12 5.203 -8.483 -9.558 1.00 0.00 H new ATOM 138 N LYS A 13 9.520 -6.231 -8.572 1.00 0.00 N ATOM 139 CA LYS A 13 10.247 -5.002 -8.276 1.00 0.00 C ATOM 140 C LYS A 13 9.471 -4.136 -7.289 1.00 0.00 C ATOM 141 O LYS A 13 10.029 -3.646 -6.306 1.00 0.00 O ATOM 142 CB LYS A 13 10.508 -4.217 -9.563 1.00 0.00 C ATOM 143 CG LYS A 13 11.723 -4.703 -10.336 1.00 0.00 C ATOM 144 CD LYS A 13 13.018 -4.273 -9.667 1.00 0.00 C ATOM 145 CE LYS A 13 14.221 -4.543 -10.556 1.00 0.00 C ATOM 146 NZ LYS A 13 14.513 -5.999 -10.668 1.00 0.00 N ATOM 0 H LYS A 13 9.587 -6.537 -9.543 1.00 0.00 H new ATOM 0 HA LYS A 13 11.201 -5.273 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.629 -4.284 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.642 -3.164 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.696 -5.790 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.690 -4.311 -11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.971 -3.210 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.135 -4.805 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.038 -4.132 -11.549 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.093 -4.028 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.340 -6.141 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.713 -6.387 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.691 -6.488 -11.076 1.00 0.00 H new ATOM 160 N LEU A 14 8.183 -3.952 -7.555 1.00 0.00 N ATOM 161 CA LEU A 14 7.330 -3.145 -6.689 1.00 0.00 C ATOM 162 C LEU A 14 7.251 -3.748 -5.290 1.00 0.00 C ATOM 163 O LEU A 14 7.486 -3.063 -4.293 1.00 0.00 O ATOM 164 CB LEU A 14 5.927 -3.029 -7.287 1.00 0.00 C ATOM 165 CG LEU A 14 4.883 -2.329 -6.416 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.122 -0.827 -6.398 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.479 -2.642 -6.913 1.00 0.00 C ATOM 0 H LEU A 14 7.706 -4.351 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 14 7.768 -2.150 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.000 -2.493 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.567 -4.032 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 14 4.978 -2.703 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.369 -0.346 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.114 -0.621 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.055 -0.436 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.748 -2.136 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.372 -2.297 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.310 -3.718 -6.872 1.00 0.00 H new ATOM 179 N LEU A 15 6.920 -5.032 -5.222 1.00 0.00 N ATOM 180 CA LEU A 15 6.812 -5.729 -3.945 1.00 0.00 C ATOM 181 C LEU A 15 7.978 -5.371 -3.030 1.00 0.00 C ATOM 182 O LEU A 15 7.781 -4.902 -1.910 1.00 0.00 O ATOM 183 CB LEU A 15 6.769 -7.241 -4.168 1.00 0.00 C ATOM 184 CG LEU A 15 6.784 -8.107 -2.908 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.422 -8.092 -2.233 1.00 0.00 C ATOM 186 CD2 LEU A 15 7.200 -9.532 -3.244 1.00 0.00 C ATOM 0 H LEU A 15 6.721 -5.613 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 15 5.886 -5.413 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.870 -7.479 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.621 -7.521 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 15 7.515 -7.691 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.452 -8.714 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.165 -7.070 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.671 -8.482 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.205 -10.134 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.495 -9.958 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.199 -9.526 -3.681 1.00 0.00 H new ATOM 198 N GLY A 16 9.196 -5.595 -3.515 1.00 0.00 N ATOM 199 CA GLY A 16 10.376 -5.290 -2.729 1.00 0.00 C ATOM 200 C GLY A 16 10.220 -4.017 -1.920 1.00 0.00 C ATOM 201 O GLY A 16 10.302 -4.040 -0.692 1.00 0.00 O ATOM 0 H GLY A 16 9.386 -5.983 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.585 -6.121 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.236 -5.192 -3.392 1.00 0.00 H new ATOM 205 N TRP A 17 9.998 -2.904 -2.610 1.00 0.00 N ATOM 206 CA TRP A 17 9.832 -1.615 -1.947 1.00 0.00 C ATOM 207 C TRP A 17 8.882 -1.731 -0.761 1.00 0.00 C ATOM 208 O TRP A 17 9.304 -1.653 0.394 1.00 0.00 O ATOM 209 CB TRP A 17 9.307 -0.573 -2.937 1.00 0.00 C ATOM 210 CG TRP A 17 9.520 0.839 -2.482 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.718 1.474 -2.316 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.508 1.788 -2.133 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.510 2.762 -1.885 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.163 2.980 -1.765 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.111 1.749 -2.096 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.468 4.119 -1.366 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.423 2.880 -1.700 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.102 4.052 -1.340 1.00 0.00 C ATOM 0 H TRP A 17 9.929 -2.868 -3.627 1.00 0.00 H new ATOM 0 HA TRP A 17 10.807 -1.296 -1.578 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.800 -0.715 -3.899 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.242 -0.739 -3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.686 1.029 -2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.241 3.445 -1.686 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.579 0.851 -2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.989 5.023 -1.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.344 2.861 -1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.535 4.920 -1.036 1.00 0.00 H new ATOM 229 N CYS A 18 7.599 -1.917 -1.052 1.00 0.00 N ATOM 230 CA CYS A 18 6.589 -2.043 -0.007 1.00 0.00 C ATOM 231 C CYS A 18 7.160 -2.745 1.220 1.00 0.00 C ATOM 232 O CYS A 18 6.966 -2.297 2.350 1.00 0.00 O ATOM 233 CB CYS A 18 5.376 -2.814 -0.532 1.00 0.00 C ATOM 234 SG CYS A 18 4.567 -2.039 -1.951 1.00 0.00 S ATOM 0 H CYS A 18 7.234 -1.984 -2.002 1.00 0.00 H new ATOM 0 HA CYS A 18 6.276 -1.040 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.691 -3.819 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.650 -2.920 0.274 1.00 0.00 H new ATOM 0 HG CYS A 18 3.281 -2.022 -1.761 1.00 0.00 H new ATOM 240 N GLN A 19 7.864 -3.849 0.990 1.00 0.00 N ATOM 241 CA GLN A 19 8.462 -4.614 2.078 1.00 0.00 C ATOM 242 C GLN A 19 9.531 -3.797 2.795 1.00 0.00 C ATOM 243 O GLN A 19 9.534 -3.701 4.023 1.00 0.00 O ATOM 244 CB GLN A 19 9.068 -5.912 1.543 1.00 0.00 C ATOM 245 CG GLN A 19 8.102 -6.737 0.709 1.00 0.00 C ATOM 246 CD GLN A 19 8.406 -8.221 0.761 1.00 0.00 C ATOM 247 OE1 GLN A 19 7.586 -9.018 0.085 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 9.367 -8.648 1.401 1.00 0.00 N flip ATOM 0 H GLN A 19 8.034 -4.233 0.061 1.00 0.00 H new ATOM 0 HA GLN A 19 7.676 -4.856 2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.943 -5.672 0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.415 -6.514 2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.085 -6.566 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.141 -6.398 -0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.972 -8.000 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.559 -9.650 1.426 1.00 0.00 H new ATOM 257 N ARG A 20 10.438 -3.209 2.022 1.00 0.00 N ATOM 258 CA ARG A 20 11.513 -2.401 2.583 1.00 0.00 C ATOM 259 C ARG A 20 10.952 -1.215 3.362 1.00 0.00 C ATOM 260 O ARG A 20 11.367 -0.949 4.490 1.00 0.00 O ATOM 261 CB ARG A 20 12.440 -1.903 1.472 1.00 0.00 C ATOM 262 CG ARG A 20 13.607 -2.835 1.190 1.00 0.00 C ATOM 263 CD ARG A 20 14.692 -2.140 0.382 1.00 0.00 C ATOM 264 NE ARG A 20 15.911 -2.940 0.302 1.00 0.00 N ATOM 265 CZ ARG A 20 16.079 -3.940 -0.557 1.00 0.00 C ATOM 266 NH1 ARG A 20 15.111 -4.261 -1.403 1.00 0.00 N ATOM 267 NH2 ARG A 20 17.218 -4.620 -0.569 1.00 0.00 N ATOM 0 H ARG A 20 10.449 -3.277 1.004 1.00 0.00 H new ATOM 0 HA ARG A 20 12.084 -3.027 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.861 -1.773 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.827 -0.922 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.025 -3.192 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.252 -3.711 0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.323 -1.940 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.920 -1.176 0.836 1.00 0.00 H new ATOM 0 HE ARG A 20 16.675 -2.719 0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.234 -3.740 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.243 -5.029 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.965 -4.375 0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.347 -5.388 -1.228 1.00 0.00 H new ATOM 281 N GLN A 21 10.008 -0.506 2.751 1.00 0.00 N ATOM 282 CA GLN A 21 9.392 0.652 3.387 1.00 0.00 C ATOM 283 C GLN A 21 8.571 0.234 4.603 1.00 0.00 C ATOM 284 O GLN A 21 8.822 0.685 5.721 1.00 0.00 O ATOM 285 CB GLN A 21 8.503 1.396 2.389 1.00 0.00 C ATOM 286 CG GLN A 21 8.943 1.232 0.943 1.00 0.00 C ATOM 287 CD GLN A 21 10.444 1.076 0.804 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.926 0.142 0.161 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.193 1.991 1.407 1.00 0.00 N ATOM 0 H GLN A 21 9.654 -0.713 1.817 1.00 0.00 H new ATOM 0 HA GLN A 21 10.188 1.317 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.478 1.039 2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.497 2.457 2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.450 0.360 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.617 2.098 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.752 2.748 1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.210 1.937 1.348 1.00 0.00 H new ATOM 298 N THR A 22 7.588 -0.632 4.378 1.00 0.00 N ATOM 299 CA THR A 22 6.730 -1.111 5.454 1.00 0.00 C ATOM 300 C THR A 22 7.555 -1.638 6.622 1.00 0.00 C ATOM 301 O THR A 22 7.274 -1.332 7.781 1.00 0.00 O ATOM 302 CB THR A 22 5.783 -2.223 4.965 1.00 0.00 C ATOM 303 OG1 THR A 22 6.542 -3.354 4.524 1.00 0.00 O ATOM 304 CG2 THR A 22 4.902 -1.724 3.830 1.00 0.00 C ATOM 0 H THR A 22 7.366 -1.016 3.459 1.00 0.00 H new ATOM 0 HA THR A 22 6.136 -0.260 5.787 1.00 0.00 H new ATOM 0 HB THR A 22 5.144 -2.517 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.174 -3.073 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.242 -2.527 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.304 -0.882 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.528 -1.405 2.997 1.00 0.00 H new ATOM 312 N ASP A 23 8.573 -2.432 6.310 1.00 0.00 N ATOM 313 CA ASP A 23 9.441 -3.001 7.335 1.00 0.00 C ATOM 314 C ASP A 23 9.636 -2.021 8.487 1.00 0.00 C ATOM 315 O ASP A 23 10.127 -0.910 8.294 1.00 0.00 O ATOM 316 CB ASP A 23 10.796 -3.378 6.734 1.00 0.00 C ATOM 317 CG ASP A 23 11.736 -3.980 7.759 1.00 0.00 C ATOM 318 OD1 ASP A 23 12.080 -3.278 8.734 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.128 -5.153 7.588 1.00 0.00 O ATOM 0 H ASP A 23 8.818 -2.696 5.356 1.00 0.00 H new ATOM 0 HA ASP A 23 8.962 -3.900 7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.645 -4.089 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.257 -2.491 6.299 1.00 0.00 H new ATOM 324 N GLY A 24 9.247 -2.441 9.687 1.00 0.00 N ATOM 325 CA GLY A 24 9.386 -1.588 10.853 1.00 0.00 C ATOM 326 C GLY A 24 8.095 -1.462 11.637 1.00 0.00 C ATOM 327 O GLY A 24 8.114 -1.340 12.862 1.00 0.00 O ATOM 0 H GLY A 24 8.838 -3.357 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.164 -1.990 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.714 -0.598 10.538 1.00 0.00 H new ATOM 331 N TYR A 25 6.970 -1.490 10.930 1.00 0.00 N ATOM 332 CA TYR A 25 5.664 -1.374 11.568 1.00 0.00 C ATOM 333 C TYR A 25 5.387 -2.577 12.465 1.00 0.00 C ATOM 334 O TYR A 25 6.245 -3.439 12.649 1.00 0.00 O ATOM 335 CB TYR A 25 4.566 -1.249 10.510 1.00 0.00 C ATOM 336 CG TYR A 25 4.369 0.162 10.006 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.316 0.769 9.190 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.234 0.889 10.345 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.140 2.059 8.728 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.049 2.179 9.886 1.00 0.00 C ATOM 341 CZ TYR A 25 4.005 2.760 9.079 1.00 0.00 C ATOM 342 OH TYR A 25 3.825 4.045 8.620 1.00 0.00 O ATOM 0 H TYR A 25 6.937 -1.592 9.916 1.00 0.00 H new ATOM 0 HA TYR A 25 5.668 -0.476 12.186 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.810 -1.896 9.667 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.627 -1.611 10.929 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.205 0.223 8.912 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.484 0.438 10.978 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.887 2.516 8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.160 2.730 10.158 1.00 0.00 H new ATOM 0 HH TYR A 25 3.784 4.661 9.381 1.00 0.00 H new ATOM 352 N ALA A 26 4.180 -2.627 13.019 1.00 0.00 N ATOM 353 CA ALA A 26 3.787 -3.724 13.895 1.00 0.00 C ATOM 354 C ALA A 26 2.605 -4.493 13.314 1.00 0.00 C ATOM 355 O ALA A 26 1.479 -3.998 13.295 1.00 0.00 O ATOM 356 CB ALA A 26 3.447 -3.198 15.281 1.00 0.00 C ATOM 0 H ALA A 26 3.458 -1.921 12.877 1.00 0.00 H new ATOM 0 HA ALA A 26 4.630 -4.411 13.977 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.155 -4.028 15.924 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.319 -2.700 15.705 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.623 -2.488 15.209 1.00 0.00 H new ATOM 362 N GLY A 27 2.869 -5.708 12.842 1.00 0.00 N ATOM 363 CA GLY A 27 1.817 -6.525 12.266 1.00 0.00 C ATOM 364 C GLY A 27 1.577 -6.214 10.802 1.00 0.00 C ATOM 365 O GLY A 27 0.520 -6.534 10.258 1.00 0.00 O ATOM 0 H GLY A 27 3.793 -6.141 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.079 -7.578 12.372 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.894 -6.369 12.824 1.00 0.00 H new ATOM 369 N VAL A 28 2.559 -5.588 10.163 1.00 0.00 N ATOM 370 CA VAL A 28 2.450 -5.234 8.753 1.00 0.00 C ATOM 371 C VAL A 28 3.462 -6.004 7.912 1.00 0.00 C ATOM 372 O VAL A 28 4.368 -5.418 7.322 1.00 0.00 O ATOM 373 CB VAL A 28 2.662 -3.724 8.535 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.514 -3.370 7.063 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.688 -2.922 9.385 1.00 0.00 C ATOM 0 H VAL A 28 3.440 -5.315 10.599 1.00 0.00 H new ATOM 0 HA VAL A 28 1.442 -5.502 8.438 1.00 0.00 H new ATOM 0 HB VAL A 28 3.675 -3.469 8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.667 -2.299 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.255 -3.918 6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.514 -3.639 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.851 -1.857 9.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.666 -3.180 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.848 -3.154 10.438 1.00 0.00 H new ATOM 385 N ASN A 29 3.301 -7.322 7.862 1.00 0.00 N ATOM 386 CA ASN A 29 4.201 -8.174 7.094 1.00 0.00 C ATOM 387 C ASN A 29 3.710 -8.329 5.658 1.00 0.00 C ATOM 388 O ASN A 29 2.691 -8.973 5.405 1.00 0.00 O ATOM 389 CB ASN A 29 4.324 -9.549 7.754 1.00 0.00 C ATOM 390 CG ASN A 29 3.017 -10.318 7.735 1.00 0.00 C ATOM 391 OD1 ASN A 29 2.019 -9.883 8.309 1.00 0.00 O ATOM 392 ND2 ASN A 29 3.018 -11.469 7.072 1.00 0.00 N ATOM 0 H ASN A 29 2.555 -7.823 8.345 1.00 0.00 H new ATOM 0 HA ASN A 29 5.182 -7.699 7.075 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.091 -10.128 7.240 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.655 -9.426 8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.168 -12.031 7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.869 -11.791 6.611 1.00 0.00 H new ATOM 399 N VAL A 30 4.441 -7.735 4.720 1.00 0.00 N ATOM 400 CA VAL A 30 4.081 -7.808 3.309 1.00 0.00 C ATOM 401 C VAL A 30 4.710 -9.027 2.644 1.00 0.00 C ATOM 402 O VAL A 30 5.921 -9.073 2.423 1.00 0.00 O ATOM 403 CB VAL A 30 4.519 -6.540 2.552 1.00 0.00 C ATOM 404 CG1 VAL A 30 4.155 -6.645 1.079 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.894 -5.303 3.178 1.00 0.00 C ATOM 0 H VAL A 30 5.286 -7.198 4.912 1.00 0.00 H new ATOM 0 HA VAL A 30 2.995 -7.893 3.263 1.00 0.00 H new ATOM 0 HB VAL A 30 5.603 -6.449 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.472 -5.740 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.656 -7.509 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.076 -6.762 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.214 -4.417 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.808 -5.383 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.211 -5.222 4.218 1.00 0.00 H new ATOM 415 N THR A 31 3.880 -10.015 2.326 1.00 0.00 N ATOM 416 CA THR A 31 4.353 -11.236 1.687 1.00 0.00 C ATOM 417 C THR A 31 3.692 -11.437 0.328 1.00 0.00 C ATOM 418 O THR A 31 4.222 -12.139 -0.533 1.00 0.00 O ATOM 419 CB THR A 31 4.083 -12.472 2.565 1.00 0.00 C ATOM 420 OG1 THR A 31 2.674 -12.635 2.761 1.00 0.00 O ATOM 421 CG2 THR A 31 4.775 -12.340 3.913 1.00 0.00 C ATOM 0 H THR A 31 2.875 -9.993 2.501 1.00 0.00 H new ATOM 0 HA THR A 31 5.429 -11.125 1.552 1.00 0.00 H new ATOM 0 HB THR A 31 4.482 -13.348 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.510 -13.424 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.570 -13.225 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.850 -12.245 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.402 -11.455 4.429 1.00 0.00 H new ATOM 429 N ASP A 32 2.532 -10.818 0.143 1.00 0.00 N ATOM 430 CA ASP A 32 1.798 -10.928 -1.113 1.00 0.00 C ATOM 431 C ASP A 32 1.283 -9.564 -1.563 1.00 0.00 C ATOM 432 O ASP A 32 1.349 -8.587 -0.816 1.00 0.00 O ATOM 433 CB ASP A 32 0.630 -11.904 -0.962 1.00 0.00 C ATOM 434 CG ASP A 32 1.078 -13.275 -0.494 1.00 0.00 C ATOM 435 OD1 ASP A 32 2.188 -13.700 -0.878 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.319 -13.922 0.257 1.00 0.00 O ATOM 0 H ASP A 32 2.079 -10.235 0.846 1.00 0.00 H new ATOM 0 HA ASP A 32 2.482 -11.307 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.090 -11.498 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.115 -12.000 -1.918 1.00 0.00 H new ATOM 441 N LEU A 33 0.770 -9.506 -2.787 1.00 0.00 N ATOM 442 CA LEU A 33 0.244 -8.261 -3.337 1.00 0.00 C ATOM 443 C LEU A 33 -1.253 -8.374 -3.604 1.00 0.00 C ATOM 444 O LEU A 33 -1.788 -7.714 -4.495 1.00 0.00 O ATOM 445 CB LEU A 33 0.978 -7.902 -4.630 1.00 0.00 C ATOM 446 CG LEU A 33 2.492 -7.723 -4.515 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.085 -7.314 -5.855 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.827 -6.693 -3.445 1.00 0.00 C ATOM 0 H LEU A 33 0.707 -10.306 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 33 0.405 -7.471 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.779 -8.682 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.552 -6.978 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 33 2.930 -8.677 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.163 -7.191 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.876 -8.085 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.641 -6.372 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.909 -6.578 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.376 -5.736 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.436 -7.027 -2.484 1.00 0.00 H new ATOM 460 N THR A 34 -1.927 -9.214 -2.823 1.00 0.00 N ATOM 461 CA THR A 34 -3.363 -9.412 -2.973 1.00 0.00 C ATOM 462 C THR A 34 -4.073 -9.332 -1.627 1.00 0.00 C ATOM 463 O THR A 34 -4.950 -8.492 -1.426 1.00 0.00 O ATOM 464 CB THR A 34 -3.676 -10.771 -3.626 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.920 -11.807 -2.989 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.356 -10.744 -5.113 1.00 0.00 C ATOM 0 H THR A 34 -1.500 -9.768 -2.080 1.00 0.00 H new ATOM 0 HA THR A 34 -3.727 -8.613 -3.620 1.00 0.00 H new ATOM 0 HB THR A 34 -4.740 -10.971 -3.503 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.126 -12.668 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.585 -11.715 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.955 -9.975 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.298 -10.523 -5.254 1.00 0.00 H new ATOM 474 N MET A 35 -3.688 -10.210 -0.707 1.00 0.00 N ATOM 475 CA MET A 35 -4.287 -10.237 0.622 1.00 0.00 C ATOM 476 C MET A 35 -3.569 -9.274 1.562 1.00 0.00 C ATOM 477 O MET A 35 -4.204 -8.478 2.254 1.00 0.00 O ATOM 478 CB MET A 35 -4.245 -11.654 1.196 1.00 0.00 C ATOM 479 CG MET A 35 -4.924 -12.688 0.312 1.00 0.00 C ATOM 480 SD MET A 35 -6.676 -12.882 0.691 1.00 0.00 S ATOM 481 CE MET A 35 -7.098 -14.270 -0.360 1.00 0.00 C ATOM 0 H MET A 35 -2.964 -10.912 -0.857 1.00 0.00 H new ATOM 0 HA MET A 35 -5.326 -9.921 0.530 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.206 -11.945 1.349 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.723 -11.655 2.175 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.812 -12.397 -0.732 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.422 -13.648 0.431 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.154 -14.511 -0.238 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.903 -14.011 -1.401 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.494 -15.134 -0.082 1.00 0.00 H new ATOM 491 N SER A 36 -2.242 -9.352 1.581 1.00 0.00 N ATOM 492 CA SER A 36 -1.438 -8.489 2.439 1.00 0.00 C ATOM 493 C SER A 36 -1.999 -7.071 2.463 1.00 0.00 C ATOM 494 O SER A 36 -1.793 -6.326 3.422 1.00 0.00 O ATOM 495 CB SER A 36 0.014 -8.468 1.959 1.00 0.00 C ATOM 496 OG SER A 36 0.816 -7.650 2.794 1.00 0.00 O ATOM 0 H SER A 36 -1.701 -10.004 1.012 1.00 0.00 H new ATOM 0 HA SER A 36 -1.473 -8.891 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.412 -9.483 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.056 -8.099 0.934 1.00 0.00 H new ATOM 0 HG SER A 36 0.923 -8.080 3.668 1.00 0.00 H new ATOM 502 N TRP A 37 -2.708 -6.705 1.402 1.00 0.00 N ATOM 503 CA TRP A 37 -3.300 -5.375 1.300 1.00 0.00 C ATOM 504 C TRP A 37 -4.784 -5.411 1.647 1.00 0.00 C ATOM 505 O TRP A 37 -5.322 -4.460 2.214 1.00 0.00 O ATOM 506 CB TRP A 37 -3.107 -4.816 -0.111 1.00 0.00 C ATOM 507 CG TRP A 37 -1.672 -4.767 -0.540 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.954 -5.777 -1.115 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.781 -3.653 -0.426 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.331 -5.357 -1.365 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.462 -4.057 -0.953 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.912 -2.352 0.068 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.563 -3.207 -0.997 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.183 -1.509 0.023 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.407 -1.939 -0.507 1.00 0.00 C ATOM 0 H TRP A 37 -2.887 -7.309 0.600 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.795 -4.724 2.014 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.669 -5.428 -0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.527 -3.811 -0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.339 -6.761 -1.340 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.067 -5.922 -1.789 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.852 -2.011 0.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.508 -3.537 -1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.094 -0.502 0.403 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.243 -1.256 -0.529 1.00 0.00 H new ATOM 526 N LYS A 38 -5.440 -6.514 1.305 1.00 0.00 N ATOM 527 CA LYS A 38 -6.863 -6.676 1.582 1.00 0.00 C ATOM 528 C LYS A 38 -7.224 -6.078 2.938 1.00 0.00 C ATOM 529 O LYS A 38 -8.306 -5.516 3.111 1.00 0.00 O ATOM 530 CB LYS A 38 -7.245 -8.157 1.548 1.00 0.00 C ATOM 531 CG LYS A 38 -7.689 -8.639 0.178 1.00 0.00 C ATOM 532 CD LYS A 38 -8.677 -9.789 0.284 1.00 0.00 C ATOM 533 CE LYS A 38 -10.102 -9.285 0.459 1.00 0.00 C ATOM 534 NZ LYS A 38 -10.938 -10.244 1.232 1.00 0.00 N ATOM 0 H LYS A 38 -5.009 -7.310 0.835 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.421 -6.146 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.391 -8.751 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.048 -8.333 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.147 -7.814 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.819 -8.957 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.616 -10.407 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.408 -10.424 1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.087 -8.322 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.551 -9.119 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.876 -9.828 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.044 -11.126 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.479 -10.449 2.143 1.00 0.00 H new ATOM 548 N SER A 39 -6.311 -6.201 3.896 1.00 0.00 N ATOM 549 CA SER A 39 -6.535 -5.675 5.238 1.00 0.00 C ATOM 550 C SER A 39 -6.635 -4.152 5.214 1.00 0.00 C ATOM 551 O SER A 39 -7.614 -3.576 5.687 1.00 0.00 O ATOM 552 CB SER A 39 -5.406 -6.108 6.174 1.00 0.00 C ATOM 553 OG SER A 39 -4.137 -5.848 5.598 1.00 0.00 O ATOM 0 H SER A 39 -5.409 -6.660 3.768 1.00 0.00 H new ATOM 0 HA SER A 39 -7.478 -6.079 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.493 -5.579 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.499 -7.172 6.392 1.00 0.00 H new ATOM 0 HG SER A 39 -3.432 -6.132 6.217 1.00 0.00 H new ATOM 559 N GLY A 40 -5.614 -3.507 4.659 1.00 0.00 N ATOM 560 CA GLY A 40 -5.605 -2.058 4.584 1.00 0.00 C ATOM 561 C GLY A 40 -4.408 -1.448 5.286 1.00 0.00 C ATOM 562 O GLY A 40 -3.809 -0.492 4.792 1.00 0.00 O ATOM 0 H GLY A 40 -4.793 -3.962 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.604 -1.752 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.521 -1.669 5.029 1.00 0.00 H new ATOM 566 N LEU A 41 -4.059 -1.999 6.444 1.00 0.00 N ATOM 567 CA LEU A 41 -2.926 -1.502 7.217 1.00 0.00 C ATOM 568 C LEU A 41 -1.768 -1.118 6.301 1.00 0.00 C ATOM 569 O LEU A 41 -1.418 0.056 6.187 1.00 0.00 O ATOM 570 CB LEU A 41 -2.467 -2.560 8.223 1.00 0.00 C ATOM 571 CG LEU A 41 -3.438 -2.867 9.364 1.00 0.00 C ATOM 572 CD1 LEU A 41 -2.910 -4.006 10.221 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.676 -1.625 10.210 1.00 0.00 C ATOM 0 H LEU A 41 -4.544 -2.790 6.868 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.248 -0.612 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.269 -3.485 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.521 -2.235 8.655 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.390 -3.176 8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.614 -4.211 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.792 -4.899 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.945 -3.726 10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.369 -1.862 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.730 -1.286 10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.099 -0.837 9.588 1.00 0.00 H new ATOM 585 N ALA A 42 -1.180 -2.116 5.650 1.00 0.00 N ATOM 586 CA ALA A 42 -0.064 -1.883 4.741 1.00 0.00 C ATOM 587 C ALA A 42 -0.210 -0.544 4.026 1.00 0.00 C ATOM 588 O ALA A 42 0.568 0.383 4.255 1.00 0.00 O ATOM 589 CB ALA A 42 0.039 -3.015 3.731 1.00 0.00 C ATOM 0 H ALA A 42 -1.458 -3.094 5.735 1.00 0.00 H new ATOM 0 HA ALA A 42 0.853 -1.853 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.876 -2.828 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.198 -3.957 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.884 -3.073 3.154 1.00 0.00 H new ATOM 595 N LEU A 43 -1.212 -0.449 3.158 1.00 0.00 N ATOM 596 CA LEU A 43 -1.460 0.777 2.407 1.00 0.00 C ATOM 597 C LEU A 43 -1.349 2.001 3.311 1.00 0.00 C ATOM 598 O LEU A 43 -0.811 3.034 2.911 1.00 0.00 O ATOM 599 CB LEU A 43 -2.845 0.731 1.760 1.00 0.00 C ATOM 600 CG LEU A 43 -3.056 1.655 0.560 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.835 1.642 -0.346 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.302 1.248 -0.214 1.00 0.00 C ATOM 0 H LEU A 43 -1.865 -1.206 2.957 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.703 0.855 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.042 -0.293 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.587 0.979 2.519 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.197 2.671 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.004 2.305 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.964 1.983 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.661 0.628 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.437 1.916 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.190 0.224 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.173 1.311 0.439 1.00 0.00 H new ATOM 614 N CYS A 44 -1.858 1.876 4.532 1.00 0.00 N ATOM 615 CA CYS A 44 -1.815 2.972 5.494 1.00 0.00 C ATOM 616 C CYS A 44 -0.387 3.229 5.961 1.00 0.00 C ATOM 617 O CYS A 44 0.022 4.376 6.139 1.00 0.00 O ATOM 618 CB CYS A 44 -2.710 2.659 6.694 1.00 0.00 C ATOM 619 SG CYS A 44 -4.374 2.110 6.252 1.00 0.00 S ATOM 0 H CYS A 44 -2.305 1.027 4.879 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.183 3.872 5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.233 1.887 7.298 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.787 3.549 7.318 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.296 1.067 5.480 1.00 0.00 H new ATOM 625 N ALA A 45 0.368 2.153 6.160 1.00 0.00 N ATOM 626 CA ALA A 45 1.751 2.262 6.607 1.00 0.00 C ATOM 627 C ALA A 45 2.612 2.963 5.562 1.00 0.00 C ATOM 628 O ALA A 45 3.619 3.590 5.892 1.00 0.00 O ATOM 629 CB ALA A 45 2.315 0.884 6.921 1.00 0.00 C ATOM 0 H ALA A 45 0.045 1.196 6.019 1.00 0.00 H new ATOM 0 HA ALA A 45 1.767 2.864 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.348 0.981 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.722 0.419 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.279 0.263 6.026 1.00 0.00 H new ATOM 635 N ILE A 46 2.211 2.850 4.300 1.00 0.00 N ATOM 636 CA ILE A 46 2.947 3.474 3.207 1.00 0.00 C ATOM 637 C ILE A 46 2.888 4.994 3.301 1.00 0.00 C ATOM 638 O ILE A 46 3.914 5.656 3.462 1.00 0.00 O ATOM 639 CB ILE A 46 2.398 3.034 1.837 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.593 1.529 1.643 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.079 3.810 0.719 1.00 0.00 C ATOM 642 CD1 ILE A 46 4.031 1.083 1.785 1.00 0.00 C ATOM 0 H ILE A 46 1.381 2.333 4.009 1.00 0.00 H new ATOM 0 HA ILE A 46 3.983 3.147 3.297 1.00 0.00 H new ATOM 0 HB ILE A 46 1.330 3.250 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.982 0.995 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.230 1.248 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.680 3.488 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.893 4.876 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.152 3.623 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.094 0.005 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.644 1.590 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.392 1.332 2.783 1.00 0.00 H new ATOM 654 N ILE A 47 1.682 5.542 3.203 1.00 0.00 N ATOM 655 CA ILE A 47 1.490 6.985 3.280 1.00 0.00 C ATOM 656 C ILE A 47 2.105 7.554 4.554 1.00 0.00 C ATOM 657 O ILE A 47 2.790 8.576 4.523 1.00 0.00 O ATOM 658 CB ILE A 47 -0.004 7.357 3.234 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.638 6.853 1.936 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.179 8.863 3.366 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.149 6.921 1.935 1.00 0.00 C ATOM 0 H ILE A 47 0.823 5.009 3.070 1.00 0.00 H new ATOM 0 HA ILE A 47 1.991 7.417 2.413 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.509 6.877 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.255 7.441 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.329 5.822 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.240 9.110 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.241 9.196 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.337 9.362 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.529 6.548 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.541 6.310 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.467 7.955 2.073 1.00 0.00 H new ATOM 673 N HIS A 48 1.857 6.883 5.675 1.00 0.00 N ATOM 674 CA HIS A 48 2.388 7.321 6.961 1.00 0.00 C ATOM 675 C HIS A 48 3.909 7.198 6.990 1.00 0.00 C ATOM 676 O HIS A 48 4.608 8.122 7.404 1.00 0.00 O ATOM 677 CB HIS A 48 1.777 6.499 8.096 1.00 0.00 C ATOM 678 CG HIS A 48 2.236 6.922 9.457 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.520 6.716 9.916 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.575 7.546 10.460 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.628 7.193 11.144 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.461 7.702 11.497 1.00 0.00 N ATOM 0 H HIS A 48 1.292 6.035 5.719 1.00 0.00 H new ATOM 0 HA HIS A 48 2.122 8.369 7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.691 6.578 8.047 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.027 5.448 7.948 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.542 7.862 10.447 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.518 7.170 11.755 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.252 8.140 12.394 1.00 0.00 H new ATOM 691 N ARG A 49 4.413 6.050 6.550 1.00 0.00 N ATOM 692 CA ARG A 49 5.851 5.805 6.527 1.00 0.00 C ATOM 693 C ARG A 49 6.616 7.090 6.222 1.00 0.00 C ATOM 694 O ARG A 49 7.576 7.432 6.913 1.00 0.00 O ATOM 695 CB ARG A 49 6.192 4.736 5.488 1.00 0.00 C ATOM 696 CG ARG A 49 7.683 4.581 5.240 1.00 0.00 C ATOM 697 CD ARG A 49 8.303 3.568 6.190 1.00 0.00 C ATOM 698 NE ARG A 49 9.728 3.377 5.931 1.00 0.00 N ATOM 699 CZ ARG A 49 10.668 4.223 6.335 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.337 5.313 7.013 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.944 3.979 6.062 1.00 0.00 N ATOM 0 H ARG A 49 3.847 5.275 6.205 1.00 0.00 H new ATOM 0 HA ARG A 49 6.150 5.450 7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.786 3.779 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.700 4.985 4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.851 4.266 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.176 5.546 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.163 3.902 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.785 2.614 6.091 1.00 0.00 H new ATOM 0 HE ARG A 49 10.017 2.548 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.358 5.504 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.062 5.961 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.203 3.141 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.665 4.630 6.373 1.00 0.00 H new ATOM 715 N TYR A 50 6.185 7.796 5.183 1.00 0.00 N ATOM 716 CA TYR A 50 6.831 9.041 4.784 1.00 0.00 C ATOM 717 C TYR A 50 6.068 10.247 5.321 1.00 0.00 C ATOM 718 O TYR A 50 6.657 11.162 5.897 1.00 0.00 O ATOM 719 CB TYR A 50 6.929 9.123 3.260 1.00 0.00 C ATOM 720 CG TYR A 50 7.956 8.185 2.668 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.692 6.827 2.539 1.00 0.00 C ATOM 722 CD2 TYR A 50 9.191 8.656 2.238 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.628 5.965 1.999 1.00 0.00 C ATOM 724 CE2 TYR A 50 10.132 7.802 1.696 1.00 0.00 C ATOM 725 CZ TYR A 50 9.846 6.458 1.578 1.00 0.00 C ATOM 726 OH TYR A 50 10.781 5.604 1.040 1.00 0.00 O ATOM 0 H TYR A 50 5.391 7.528 4.602 1.00 0.00 H new ATOM 0 HA TYR A 50 7.835 9.052 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.953 8.899 2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.176 10.146 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.739 6.438 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.419 9.708 2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.407 4.912 1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 50 11.087 8.185 1.366 1.00 0.00 H new ATOM 0 HH TYR A 50 11.583 6.110 0.793 1.00 0.00 H new ATOM 736 N ARG A 51 4.753 10.241 5.130 1.00 0.00 N ATOM 737 CA ARG A 51 3.907 11.334 5.594 1.00 0.00 C ATOM 738 C ARG A 51 2.855 10.828 6.576 1.00 0.00 C ATOM 739 O ARG A 51 1.793 10.339 6.190 1.00 0.00 O ATOM 740 CB ARG A 51 3.226 12.019 4.408 1.00 0.00 C ATOM 741 CG ARG A 51 4.201 12.573 3.382 1.00 0.00 C ATOM 742 CD ARG A 51 3.638 13.802 2.686 1.00 0.00 C ATOM 743 NE ARG A 51 4.693 14.675 2.179 1.00 0.00 N ATOM 744 CZ ARG A 51 5.389 14.424 1.076 1.00 0.00 C ATOM 745 NH1 ARG A 51 5.141 13.331 0.367 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.334 15.267 0.679 1.00 0.00 N ATOM 0 H ARG A 51 4.250 9.491 4.657 1.00 0.00 H new ATOM 0 HA ARG A 51 4.540 12.057 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.563 11.305 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.601 12.832 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.140 12.829 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.427 11.806 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.998 13.490 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.011 14.358 3.383 1.00 0.00 H new ATOM 0 HE ARG A 51 4.907 15.525 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.415 12.681 0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.677 13.140 -0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.527 16.109 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.868 15.073 -0.168 1.00 0.00 H new ATOM 760 N PRO A 52 3.155 10.947 7.878 1.00 0.00 N ATOM 761 CA PRO A 52 2.248 10.507 8.943 1.00 0.00 C ATOM 762 C PRO A 52 1.007 11.388 9.048 1.00 0.00 C ATOM 763 O PRO A 52 -0.063 10.924 9.441 1.00 0.00 O ATOM 764 CB PRO A 52 3.100 10.631 10.208 1.00 0.00 C ATOM 765 CG PRO A 52 4.117 11.670 9.880 1.00 0.00 C ATOM 766 CD PRO A 52 4.402 11.520 8.411 1.00 0.00 C ATOM 0 HA PRO A 52 1.868 9.501 8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.495 10.926 11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.572 9.682 10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.742 12.668 10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.023 11.530 10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.634 12.479 7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.254 10.864 8.232 1.00 0.00 H new ATOM 774 N ASP A 53 1.158 12.659 8.693 1.00 0.00 N ATOM 775 CA ASP A 53 0.049 13.604 8.746 1.00 0.00 C ATOM 776 C ASP A 53 -1.130 13.105 7.916 1.00 0.00 C ATOM 777 O ASP A 53 -2.205 12.826 8.449 1.00 0.00 O ATOM 778 CB ASP A 53 0.497 14.978 8.244 1.00 0.00 C ATOM 779 CG ASP A 53 -0.614 16.008 8.308 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.581 15.887 7.528 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.515 16.934 9.139 1.00 0.00 O ATOM 0 H ASP A 53 2.037 13.059 8.365 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.272 13.692 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.342 15.322 8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.848 14.889 7.216 1.00 0.00 H new ATOM 786 N LEU A 54 -0.923 12.997 6.608 1.00 0.00 N ATOM 787 CA LEU A 54 -1.968 12.533 5.703 1.00 0.00 C ATOM 788 C LEU A 54 -2.804 11.435 6.354 1.00 0.00 C ATOM 789 O LEU A 54 -4.008 11.597 6.558 1.00 0.00 O ATOM 790 CB LEU A 54 -1.352 12.017 4.402 1.00 0.00 C ATOM 791 CG LEU A 54 -0.206 12.849 3.826 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.269 12.262 2.505 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.638 14.297 3.643 1.00 0.00 C ATOM 0 H LEU A 54 -0.040 13.225 6.151 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.621 13.377 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.989 11.004 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.140 11.951 3.651 1.00 0.00 H new ATOM 0 HG LEU A 54 0.625 12.824 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.085 12.868 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.619 11.242 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.556 12.255 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.190 14.875 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.485 14.340 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.929 14.715 4.607 1.00 0.00 H new ATOM 805 N ILE A 55 -2.157 10.321 6.679 1.00 0.00 N ATOM 806 CA ILE A 55 -2.840 9.198 7.310 1.00 0.00 C ATOM 807 C ILE A 55 -2.288 8.933 8.706 1.00 0.00 C ATOM 808 O ILE A 55 -1.077 8.820 8.895 1.00 0.00 O ATOM 809 CB ILE A 55 -2.712 7.916 6.467 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.839 6.939 6.810 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.355 7.267 6.693 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.203 6.013 5.671 1.00 0.00 C ATOM 0 H ILE A 55 -1.161 10.172 6.516 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.893 9.470 7.384 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.795 8.182 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.542 6.342 7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.723 7.505 7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.280 6.362 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.567 7.962 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.245 7.011 7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.008 5.349 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.532 6.602 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.332 5.420 5.391 1.00 0.00 H new ATOM 824 N ASP A 56 -3.184 8.834 9.682 1.00 0.00 N ATOM 825 CA ASP A 56 -2.787 8.579 11.062 1.00 0.00 C ATOM 826 C ASP A 56 -2.950 7.102 11.410 1.00 0.00 C ATOM 827 O ASP A 56 -4.044 6.649 11.744 1.00 0.00 O ATOM 828 CB ASP A 56 -3.616 9.435 12.020 1.00 0.00 C ATOM 829 CG ASP A 56 -2.859 9.784 13.286 1.00 0.00 C ATOM 830 OD1 ASP A 56 -1.612 9.838 13.236 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.513 10.002 14.328 1.00 0.00 O ATOM 0 H ASP A 56 -4.190 8.926 9.543 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.735 8.845 11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.917 10.353 11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.530 8.901 12.282 1.00 0.00 H new ATOM 836 N PHE A 57 -1.853 6.356 11.327 1.00 0.00 N ATOM 837 CA PHE A 57 -1.874 4.930 11.632 1.00 0.00 C ATOM 838 C PHE A 57 -2.190 4.693 13.105 1.00 0.00 C ATOM 839 O PHE A 57 -2.906 3.754 13.455 1.00 0.00 O ATOM 840 CB PHE A 57 -0.529 4.291 11.278 1.00 0.00 C ATOM 841 CG PHE A 57 -0.577 2.792 11.209 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.890 2.149 10.022 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.311 2.025 12.331 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.934 0.769 9.954 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.354 0.645 12.270 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.667 0.016 11.081 1.00 0.00 C ATOM 0 H PHE A 57 -0.939 6.715 11.051 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.658 4.468 11.032 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.193 4.680 10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.212 4.589 12.020 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.102 2.733 9.139 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.067 2.511 13.264 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.177 0.281 9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.143 0.059 13.152 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.703 -1.062 11.032 1.00 0.00 H new ATOM 856 N ASP A 58 -1.651 5.550 13.965 1.00 0.00 N ATOM 857 CA ASP A 58 -1.875 5.435 15.402 1.00 0.00 C ATOM 858 C ASP A 58 -3.347 5.174 15.703 1.00 0.00 C ATOM 859 O ASP A 58 -3.682 4.308 16.511 1.00 0.00 O ATOM 860 CB ASP A 58 -1.413 6.707 16.115 1.00 0.00 C ATOM 861 CG ASP A 58 0.076 6.701 16.403 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.540 5.782 17.110 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.776 7.615 15.921 1.00 0.00 O ATOM 0 H ASP A 58 -1.056 6.332 13.692 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.292 4.590 15.769 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.658 7.574 15.501 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.961 6.815 17.051 1.00 0.00 H new ATOM 868 N SER A 59 -4.223 5.930 15.048 1.00 0.00 N ATOM 869 CA SER A 59 -5.660 5.785 15.250 1.00 0.00 C ATOM 870 C SER A 59 -6.159 4.468 14.664 1.00 0.00 C ATOM 871 O SER A 59 -6.807 3.675 15.349 1.00 0.00 O ATOM 872 CB SER A 59 -6.407 6.956 14.611 1.00 0.00 C ATOM 873 OG SER A 59 -7.613 7.231 15.303 1.00 0.00 O ATOM 0 H SER A 59 -3.963 6.649 14.373 1.00 0.00 H new ATOM 0 HA SER A 59 -5.853 5.783 16.323 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.772 7.842 14.615 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.627 6.726 13.569 1.00 0.00 H new ATOM 0 HG SER A 59 -8.071 7.985 14.876 1.00 0.00 H new ATOM 879 N LEU A 60 -5.854 4.240 13.391 1.00 0.00 N ATOM 880 CA LEU A 60 -6.271 3.019 12.710 1.00 0.00 C ATOM 881 C LEU A 60 -5.869 1.785 13.511 1.00 0.00 C ATOM 882 O LEU A 60 -4.913 1.820 14.285 1.00 0.00 O ATOM 883 CB LEU A 60 -5.657 2.956 11.311 1.00 0.00 C ATOM 884 CG LEU A 60 -5.987 4.123 10.380 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.189 4.019 9.089 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.479 4.163 10.084 1.00 0.00 C ATOM 0 H LEU A 60 -5.319 4.885 12.809 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.357 3.034 12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.574 2.895 11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.985 2.033 10.833 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.710 5.051 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.437 4.858 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.123 4.040 9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.434 3.084 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.696 5.000 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.780 3.232 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.032 4.286 11.015 1.00 0.00 H new ATOM 898 N ASP A 61 -6.604 0.695 13.317 1.00 0.00 N ATOM 899 CA ASP A 61 -6.322 -0.552 14.019 1.00 0.00 C ATOM 900 C ASP A 61 -6.204 -1.713 13.036 1.00 0.00 C ATOM 901 O ASP A 61 -6.348 -1.532 11.828 1.00 0.00 O ATOM 902 CB ASP A 61 -7.419 -0.844 15.044 1.00 0.00 C ATOM 903 CG ASP A 61 -6.922 -1.694 16.197 1.00 0.00 C ATOM 904 OD1 ASP A 61 -5.740 -1.550 16.574 1.00 0.00 O ATOM 905 OD2 ASP A 61 -7.715 -2.503 16.722 1.00 0.00 O ATOM 0 H ASP A 61 -7.399 0.650 12.680 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.370 -0.441 14.539 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.810 0.097 15.432 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.247 -1.354 14.551 1.00 0.00 H new ATOM 910 N GLU A 62 -5.939 -2.904 13.565 1.00 0.00 N ATOM 911 CA GLU A 62 -5.799 -4.093 12.733 1.00 0.00 C ATOM 912 C GLU A 62 -7.160 -4.722 12.449 1.00 0.00 C ATOM 913 O GLU A 62 -7.336 -5.421 11.451 1.00 0.00 O ATOM 914 CB GLU A 62 -4.886 -5.115 13.415 1.00 0.00 C ATOM 915 CG GLU A 62 -5.294 -5.438 14.843 1.00 0.00 C ATOM 916 CD GLU A 62 -4.714 -6.750 15.333 1.00 0.00 C ATOM 917 OE1 GLU A 62 -3.485 -6.814 15.545 1.00 0.00 O ATOM 918 OE2 GLU A 62 -5.490 -7.714 15.503 1.00 0.00 O ATOM 0 H GLU A 62 -5.817 -3.070 14.564 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.352 -3.791 11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.883 -6.035 12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.865 -4.734 13.415 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.968 -4.633 15.501 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.381 -5.480 14.905 1.00 0.00 H new ATOM 925 N GLN A 63 -8.119 -4.467 13.333 1.00 0.00 N ATOM 926 CA GLN A 63 -9.464 -5.008 13.178 1.00 0.00 C ATOM 927 C GLN A 63 -10.212 -4.296 12.055 1.00 0.00 C ATOM 928 O GLN A 63 -11.089 -4.875 11.416 1.00 0.00 O ATOM 929 CB GLN A 63 -10.244 -4.878 14.488 1.00 0.00 C ATOM 930 CG GLN A 63 -10.412 -3.441 14.955 1.00 0.00 C ATOM 931 CD GLN A 63 -11.445 -3.303 16.056 1.00 0.00 C ATOM 932 OE1 GLN A 63 -12.455 -2.617 15.892 1.00 0.00 O ATOM 933 NE2 GLN A 63 -11.198 -3.955 17.186 1.00 0.00 N ATOM 0 H GLN A 63 -7.990 -3.889 14.164 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.375 -6.063 12.919 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -11.229 -5.328 14.361 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.732 -5.446 15.264 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.453 -3.064 15.312 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.703 -2.819 14.108 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.348 -4.512 17.278 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.858 -3.899 17.962 1.00 0.00 H new ATOM 942 N ASN A 64 -9.857 -3.037 11.820 1.00 0.00 N ATOM 943 CA ASN A 64 -10.495 -2.245 10.775 1.00 0.00 C ATOM 944 C ASN A 64 -9.929 -2.599 9.403 1.00 0.00 C ATOM 945 O ASN A 64 -8.749 -2.376 9.129 1.00 0.00 O ATOM 946 CB ASN A 64 -10.303 -0.752 11.048 1.00 0.00 C ATOM 947 CG ASN A 64 -10.892 -0.328 12.380 1.00 0.00 C ATOM 948 OD1 ASN A 64 -11.971 -0.778 12.766 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.182 0.542 13.090 1.00 0.00 N ATOM 0 H ASN A 64 -9.131 -2.543 12.339 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.561 -2.474 10.780 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.239 -0.516 11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.768 -0.176 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.526 0.864 13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.293 0.888 12.730 1.00 0.00 H new ATOM 956 N VAL A 65 -10.778 -3.152 8.543 1.00 0.00 N ATOM 957 CA VAL A 65 -10.364 -3.535 7.198 1.00 0.00 C ATOM 958 C VAL A 65 -10.896 -2.555 6.159 1.00 0.00 C ATOM 959 O VAL A 65 -10.125 -1.866 5.491 1.00 0.00 O ATOM 960 CB VAL A 65 -10.849 -4.954 6.845 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.343 -5.364 5.471 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.403 -5.949 7.906 1.00 0.00 C ATOM 0 H VAL A 65 -11.757 -3.345 8.754 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.274 -3.517 7.185 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.939 -4.951 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.695 -6.369 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.717 -4.666 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.253 -5.351 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.754 -6.946 7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.315 -5.952 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.820 -5.663 8.872 1.00 0.00 H new ATOM 972 N GLU A 66 -12.217 -2.497 6.029 1.00 0.00 N ATOM 973 CA GLU A 66 -12.852 -1.600 5.070 1.00 0.00 C ATOM 974 C GLU A 66 -12.426 -0.155 5.313 1.00 0.00 C ATOM 975 O GLU A 66 -12.148 0.589 4.372 1.00 0.00 O ATOM 976 CB GLU A 66 -14.375 -1.717 5.159 1.00 0.00 C ATOM 977 CG GLU A 66 -15.111 -0.870 4.135 1.00 0.00 C ATOM 978 CD GLU A 66 -16.506 -0.486 4.589 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.330 -1.398 4.811 1.00 0.00 O ATOM 980 OE2 GLU A 66 -16.773 0.726 4.723 1.00 0.00 O ATOM 0 H GLU A 66 -12.869 -3.060 6.575 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.531 -1.892 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.659 -2.761 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.696 -1.424 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.536 0.034 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.177 -1.419 3.195 1.00 0.00 H new ATOM 987 N LYS A 67 -12.379 0.236 6.582 1.00 0.00 N ATOM 988 CA LYS A 67 -11.987 1.591 6.951 1.00 0.00 C ATOM 989 C LYS A 67 -10.562 1.889 6.496 1.00 0.00 C ATOM 990 O LYS A 67 -10.335 2.779 5.678 1.00 0.00 O ATOM 991 CB LYS A 67 -12.100 1.782 8.465 1.00 0.00 C ATOM 992 CG LYS A 67 -11.992 3.231 8.906 1.00 0.00 C ATOM 993 CD LYS A 67 -12.777 3.487 10.181 1.00 0.00 C ATOM 994 CE LYS A 67 -11.962 3.135 11.417 1.00 0.00 C ATOM 995 NZ LYS A 67 -11.174 4.298 11.911 1.00 0.00 N ATOM 0 H LYS A 67 -12.608 -0.367 7.373 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.662 2.286 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.054 1.378 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.317 1.203 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.944 3.486 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.362 3.882 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.071 4.536 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.695 2.899 10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.630 2.787 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.287 2.311 11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.633 4.018 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.519 4.614 11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.820 5.075 12.157 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.606 1.136 7.030 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.202 1.319 6.677 1.00 0.00 C ATOM 1011 C ASN A 68 -8.045 1.560 5.179 1.00 0.00 C ATOM 1012 O ASN A 68 -7.126 2.252 4.745 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.385 0.096 7.097 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.839 0.221 8.506 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -7.695 -0.009 9.495 1.00 0.00 O flip ATOM 1016 ND2 ASN A 68 -5.661 0.521 8.703 1.00 0.00 N flip ATOM 0 H ASN A 68 -9.777 0.394 7.708 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.831 2.195 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.009 -0.795 7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.558 -0.041 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.038 0.689 7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.308 0.601 9.657 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.950 0.984 4.395 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.912 1.136 2.944 1.00 0.00 C ATOM 1025 C ASN A 69 -9.627 2.412 2.512 1.00 0.00 C ATOM 1026 O ASN A 69 -9.009 3.326 1.966 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.555 -0.076 2.267 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.677 -1.311 2.337 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.555 -1.319 1.831 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.186 -2.363 2.968 1.00 0.00 N ATOM 0 H ASN A 69 -9.718 0.408 4.739 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.868 1.204 2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.513 -0.288 2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.761 0.161 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.642 -3.222 3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.121 -2.312 3.373 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.931 2.467 2.762 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.729 3.632 2.399 1.00 0.00 C ATOM 1039 C GLN A 70 -10.965 4.923 2.673 1.00 0.00 C ATOM 1040 O GLN A 70 -11.021 5.869 1.886 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.050 3.633 3.171 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.942 4.821 2.850 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.409 4.827 1.408 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.521 4.397 1.102 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.560 5.317 0.513 1.00 0.00 N ATOM 0 H GLN A 70 -11.457 1.719 3.214 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.941 3.577 1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.591 2.713 2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.836 3.628 4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.810 4.807 3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.400 5.744 3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.648 5.663 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.820 5.348 -0.473 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.252 4.956 3.793 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.476 6.132 4.172 1.00 0.00 C ATOM 1056 C LEU A 71 -8.350 6.385 3.175 1.00 0.00 C ATOM 1057 O LEU A 71 -8.368 7.373 2.441 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.898 5.955 5.577 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.182 7.170 6.166 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.149 8.333 6.330 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.539 6.816 7.499 1.00 0.00 C ATOM 0 H LEU A 71 -10.195 4.182 4.455 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.143 6.994 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.709 5.675 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.198 5.120 5.558 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.395 7.474 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.621 9.189 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.561 8.603 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.959 8.042 6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.034 7.693 7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.308 6.486 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.814 6.015 7.352 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.373 5.485 3.153 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.241 5.609 2.243 1.00 0.00 C ATOM 1075 C ALA A 72 -6.702 6.002 0.843 1.00 0.00 C ATOM 1076 O ALA A 72 -6.204 6.967 0.263 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.456 4.306 2.196 1.00 0.00 C ATOM 0 H ALA A 72 -7.342 4.662 3.755 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.590 6.399 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.614 4.413 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.086 4.068 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.105 3.502 1.848 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.655 5.248 0.306 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.182 5.516 -1.027 1.00 0.00 C ATOM 1085 C PHE A 73 -8.615 6.974 -1.157 1.00 0.00 C ATOM 1086 O PHE A 73 -8.553 7.556 -2.240 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.365 4.593 -1.326 1.00 0.00 C ATOM 1088 CG PHE A 73 -8.963 3.169 -1.587 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -7.897 2.879 -2.424 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.650 2.122 -0.996 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.526 1.570 -2.666 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.283 0.811 -1.234 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.219 0.534 -2.070 1.00 0.00 C ATOM 0 H PHE A 73 -8.078 4.446 0.773 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.389 5.324 -1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.057 4.618 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.904 4.975 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.351 3.684 -2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.483 2.332 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.694 1.357 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.828 0.004 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.930 -0.490 -2.257 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.053 7.556 -0.046 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.495 8.945 -0.035 1.00 0.00 C ATOM 1105 C ASP A 74 -8.323 9.887 0.221 1.00 0.00 C ATOM 1106 O ASP A 74 -7.967 10.698 -0.636 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.573 9.151 1.031 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.522 10.281 0.684 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.065 11.441 0.618 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.722 10.004 0.478 1.00 0.00 O ATOM 0 H ASP A 74 -9.111 7.087 0.858 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.914 9.174 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.140 8.228 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.097 9.361 1.989 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.728 9.775 1.403 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.596 10.617 1.771 1.00 0.00 C ATOM 1117 C ILE A 75 -5.585 10.707 0.633 1.00 0.00 C ATOM 1118 O ILE A 75 -5.163 11.797 0.249 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.887 10.087 3.032 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.845 10.096 4.224 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.650 10.921 3.333 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.089 11.476 4.793 1.00 0.00 C ATOM 0 H ILE A 75 -8.011 9.110 2.123 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.995 11.610 1.978 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.573 9.059 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.798 9.665 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.443 9.455 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.159 10.535 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.962 10.868 2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.942 11.958 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.778 11.406 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.145 11.902 5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.521 12.116 4.023 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.202 9.553 0.096 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.244 9.501 -1.001 1.00 0.00 C ATOM 1136 C ALA A 76 -4.565 10.550 -2.060 1.00 0.00 C ATOM 1137 O ALA A 76 -3.875 11.563 -2.172 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.226 8.112 -1.621 1.00 0.00 C ATOM 0 H ALA A 76 -5.541 8.641 0.403 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.255 9.720 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.506 8.088 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.941 7.380 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.218 7.871 -2.004 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.616 10.300 -2.836 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.026 11.224 -3.887 1.00 0.00 C ATOM 1146 C GLU A 77 -6.223 12.630 -3.329 1.00 0.00 C ATOM 1147 O GLU A 77 -5.805 13.616 -3.936 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.319 10.739 -4.546 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.676 11.496 -5.815 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.532 12.718 -5.543 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.499 12.602 -4.761 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -8.236 13.789 -6.113 1.00 0.00 O ATOM 0 H GLU A 77 -6.198 9.466 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.235 11.257 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.222 9.679 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.138 10.834 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.760 11.803 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.207 10.829 -6.495 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.862 12.715 -2.167 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.115 14.000 -1.525 1.00 0.00 C ATOM 1161 C LYS A 78 -5.870 14.879 -1.558 1.00 0.00 C ATOM 1162 O LYS A 78 -5.921 16.026 -2.003 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.565 13.789 -0.077 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.070 13.650 0.078 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.515 13.963 1.497 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.961 14.434 1.535 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.076 15.893 1.259 1.00 0.00 N ATOM 0 H LYS A 78 -7.214 11.909 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.909 14.504 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.083 12.894 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.222 14.629 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.572 14.322 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.372 12.636 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.404 13.075 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.869 14.732 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.543 13.878 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.389 14.214 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.076 16.175 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.541 16.425 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.691 16.099 0.315 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.753 14.334 -1.086 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.495 15.071 -1.064 1.00 0.00 C ATOM 1183 C GLU A 79 -2.544 14.557 -2.141 1.00 0.00 C ATOM 1184 O GLU A 79 -2.179 15.287 -3.063 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.835 14.955 0.312 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.682 15.515 1.442 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.477 17.003 1.644 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -3.347 17.727 0.635 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -3.446 17.445 2.812 1.00 0.00 O ATOM 0 H GLU A 79 -4.694 13.386 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.714 16.119 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.620 13.906 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.879 15.478 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.734 15.322 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.440 14.990 2.366 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.145 13.296 -2.016 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.235 12.683 -2.978 1.00 0.00 C ATOM 1198 C LEU A 80 -1.733 12.887 -4.405 1.00 0.00 C ATOM 1199 O LEU A 80 -0.995 13.358 -5.270 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.086 11.188 -2.687 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.771 10.815 -1.238 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.563 9.314 -1.107 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.454 11.571 -0.746 1.00 0.00 C ATOM 0 H LEU A 80 -2.437 12.678 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.263 13.165 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.010 10.688 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.295 10.791 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.621 11.099 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.340 9.067 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.469 8.793 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.269 9.005 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.663 11.293 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.312 11.320 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.267 12.643 -0.802 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.992 12.532 -4.644 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.568 12.686 -5.967 1.00 0.00 C ATOM 1217 C GLY A 81 -3.831 11.355 -6.644 1.00 0.00 C ATOM 1218 O GLY A 81 -4.439 11.304 -7.713 1.00 0.00 O ATOM 0 H GLY A 81 -3.623 12.141 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.502 13.242 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.894 13.278 -6.586 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.370 10.275 -6.021 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.558 8.938 -6.570 1.00 0.00 C ATOM 1224 C ILE A 82 -5.003 8.478 -6.413 1.00 0.00 C ATOM 1225 O ILE A 82 -5.427 8.093 -5.324 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.628 7.915 -5.892 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.163 8.292 -6.124 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.909 6.515 -6.417 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.194 7.506 -5.269 1.00 0.00 C ATOM 0 H ILE A 82 -2.864 10.300 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.310 8.994 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.821 7.926 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.918 8.135 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.033 9.355 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.244 5.803 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.945 6.248 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.740 6.489 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.825 7.826 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.413 7.682 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.295 6.443 -5.488 1.00 0.00 H new ATOM 1241 N SER A 83 -5.754 8.518 -7.509 1.00 0.00 N ATOM 1242 CA SER A 83 -7.152 8.107 -7.493 1.00 0.00 C ATOM 1243 C SER A 83 -7.275 6.609 -7.227 1.00 0.00 C ATOM 1244 O SER A 83 -6.605 5.785 -7.850 1.00 0.00 O ATOM 1245 CB SER A 83 -7.824 8.457 -8.822 1.00 0.00 C ATOM 1246 OG SER A 83 -7.966 9.859 -8.968 1.00 0.00 O ATOM 0 H SER A 83 -5.417 8.831 -8.419 1.00 0.00 H new ATOM 0 HA SER A 83 -7.654 8.644 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.233 8.060 -9.647 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.804 7.982 -8.874 1.00 0.00 H new ATOM 0 HG SER A 83 -8.396 10.057 -9.826 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.153 6.247 -6.280 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.386 4.848 -5.909 1.00 0.00 C ATOM 1254 C PRO A 84 -9.101 4.069 -7.007 1.00 0.00 C ATOM 1255 O PRO A 84 -10.110 4.524 -7.548 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.271 4.954 -4.665 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.960 6.267 -4.800 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.986 7.176 -5.497 1.00 0.00 C ATOM 0 HA PRO A 84 -7.453 4.310 -5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.988 4.134 -4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.677 4.911 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.881 6.167 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.235 6.665 -3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.496 7.896 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.390 7.748 -4.786 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.573 2.894 -7.332 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.163 2.051 -8.365 1.00 0.00 C ATOM 1268 C ILE A 85 -10.429 1.367 -7.860 1.00 0.00 C ATOM 1269 O ILE A 85 -11.284 0.962 -8.647 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.171 0.978 -8.850 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.677 0.138 -7.670 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.000 1.626 -9.573 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.923 -1.105 -8.087 1.00 0.00 C ATOM 0 H ILE A 85 -7.738 2.504 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.415 2.705 -9.200 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.685 0.320 -9.550 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.031 0.752 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.531 -0.153 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.308 0.854 -9.909 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.368 2.184 -10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.484 2.305 -8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.603 -1.651 -7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.573 -1.740 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.049 -0.821 -8.673 1.00 0.00 H new ATOM 1285 N MET A 86 -10.542 1.243 -6.541 1.00 0.00 N ATOM 1286 CA MET A 86 -11.705 0.610 -5.931 1.00 0.00 C ATOM 1287 C MET A 86 -12.040 1.264 -4.594 1.00 0.00 C ATOM 1288 O MET A 86 -11.244 2.029 -4.047 1.00 0.00 O ATOM 1289 CB MET A 86 -11.453 -0.885 -5.732 1.00 0.00 C ATOM 1290 CG MET A 86 -10.405 -1.190 -4.674 1.00 0.00 C ATOM 1291 SD MET A 86 -10.380 -2.929 -4.200 1.00 0.00 S ATOM 1292 CE MET A 86 -8.941 -3.504 -5.098 1.00 0.00 C ATOM 0 H MET A 86 -9.843 1.572 -5.875 1.00 0.00 H new ATOM 0 HA MET A 86 -12.553 0.741 -6.603 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.389 -1.369 -5.454 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.138 -1.321 -6.680 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.422 -0.906 -5.050 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.597 -0.580 -3.791 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.961 -4.592 -5.158 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.948 -3.085 -6.104 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.037 -3.186 -4.579 1.00 0.00 H new ATOM 1302 N THR A 87 -13.224 0.958 -4.070 1.00 0.00 N ATOM 1303 CA THR A 87 -13.664 1.517 -2.799 1.00 0.00 C ATOM 1304 C THR A 87 -13.475 0.517 -1.664 1.00 0.00 C ATOM 1305 O THR A 87 -13.737 -0.675 -1.823 1.00 0.00 O ATOM 1306 CB THR A 87 -15.144 1.940 -2.853 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.974 0.792 -3.065 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.377 2.953 -3.964 1.00 0.00 C ATOM 0 H THR A 87 -13.894 0.326 -4.507 1.00 0.00 H new ATOM 0 HA THR A 87 -13.049 2.397 -2.611 1.00 0.00 H new ATOM 0 HB THR A 87 -15.402 2.403 -1.901 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.914 1.069 -3.096 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.429 3.237 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.766 3.837 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.103 2.512 -4.922 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.019 1.010 -0.516 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.803 0.145 0.629 1.00 0.00 C ATOM 1318 C GLY A 88 -13.848 -0.947 0.736 1.00 0.00 C ATOM 1319 O GLY A 88 -13.537 -2.081 1.102 1.00 0.00 O ATOM 0 H GLY A 88 -12.795 1.993 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.814 -0.308 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.813 0.744 1.540 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.092 -0.607 0.417 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.188 -1.566 0.479 1.00 0.00 C ATOM 1325 C LYS A 89 -15.981 -2.694 -0.527 1.00 0.00 C ATOM 1326 O LYS A 89 -16.167 -3.867 -0.204 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.522 -0.866 0.209 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.730 -1.651 0.691 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.912 -0.739 0.971 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.655 -0.382 -0.308 1.00 0.00 C ATOM 1331 NZ LYS A 89 -19.939 0.661 -1.093 1.00 0.00 N ATOM 0 H LYS A 89 -15.366 0.327 0.112 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.206 -1.995 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.516 0.110 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.619 -0.688 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.009 -2.389 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.471 -2.200 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.595 -1.229 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.563 0.172 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.777 -1.276 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.655 -0.027 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.632 1.282 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.340 1.225 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.344 0.205 -1.814 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.595 -2.331 -1.746 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.363 -3.313 -2.798 1.00 0.00 C ATOM 1347 C GLU A 90 -14.174 -4.207 -2.455 1.00 0.00 C ATOM 1348 O GLU A 90 -14.040 -5.309 -2.985 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.119 -2.613 -4.136 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.385 -2.076 -4.782 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.251 -3.174 -5.369 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -17.819 -3.964 -4.587 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -17.362 -3.241 -6.611 1.00 0.00 O ATOM 0 H GLU A 90 -15.436 -1.364 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.253 -3.937 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.422 -1.789 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.641 -3.313 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -16.960 -1.522 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.116 -1.371 -5.568 1.00 0.00 H new ATOM 1360 N MET A 91 -13.314 -3.722 -1.565 1.00 0.00 N ATOM 1361 CA MET A 91 -12.137 -4.476 -1.151 1.00 0.00 C ATOM 1362 C MET A 91 -12.479 -5.439 -0.019 1.00 0.00 C ATOM 1363 O MET A 91 -11.865 -6.497 0.116 1.00 0.00 O ATOM 1364 CB MET A 91 -11.025 -3.524 -0.707 1.00 0.00 C ATOM 1365 CG MET A 91 -9.735 -4.232 -0.325 1.00 0.00 C ATOM 1366 SD MET A 91 -8.727 -4.659 -1.757 1.00 0.00 S ATOM 1367 CE MET A 91 -7.247 -3.706 -1.427 1.00 0.00 C ATOM 0 H MET A 91 -13.410 -2.811 -1.117 1.00 0.00 H new ATOM 0 HA MET A 91 -11.789 -5.056 -2.006 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.818 -2.819 -1.512 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.376 -2.941 0.145 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.158 -3.592 0.343 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.974 -5.139 0.230 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.525 -3.866 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.500 -2.647 -1.373 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.813 -4.024 -0.479 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.463 -5.066 0.793 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.888 -5.898 1.912 1.00 0.00 C ATOM 1379 C ALA A 92 -14.797 -7.029 1.441 1.00 0.00 C ATOM 1380 O ALA A 92 -14.720 -8.149 1.944 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.595 -5.052 2.960 1.00 0.00 C ATOM 0 H ALA A 92 -13.981 -4.193 0.697 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.000 -6.343 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.907 -5.686 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.915 -4.283 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.471 -4.579 2.516 1.00 0.00 H new ATOM 1387 N SER A 93 -15.657 -6.727 0.474 1.00 0.00 N ATOM 1388 CA SER A 93 -16.584 -7.717 -0.061 1.00 0.00 C ATOM 1389 C SER A 93 -15.856 -8.713 -0.958 1.00 0.00 C ATOM 1390 O SER A 93 -15.923 -9.924 -0.744 1.00 0.00 O ATOM 1391 CB SER A 93 -17.702 -7.028 -0.846 1.00 0.00 C ATOM 1392 OG SER A 93 -18.750 -7.935 -1.143 1.00 0.00 O ATOM 0 H SER A 93 -15.731 -5.805 0.045 1.00 0.00 H new ATOM 0 HA SER A 93 -17.020 -8.261 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.094 -6.191 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.300 -6.616 -1.772 1.00 0.00 H new ATOM 0 HG SER A 93 -19.453 -7.470 -1.643 1.00 0.00 H new ATOM 1398 N VAL A 94 -15.160 -8.195 -1.965 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.419 -9.037 -2.896 1.00 0.00 C ATOM 1400 C VAL A 94 -13.529 -10.027 -2.151 1.00 0.00 C ATOM 1401 O VAL A 94 -12.842 -9.665 -1.197 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.547 -8.193 -3.844 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.350 -7.619 -3.101 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -13.096 -9.025 -5.035 1.00 0.00 C ATOM 0 H VAL A 94 -15.094 -7.195 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.156 -9.585 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 94 -14.146 -7.362 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.746 -7.026 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.698 -6.986 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.747 -8.433 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.481 -8.413 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.514 -9.877 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.969 -9.382 -5.581 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.547 -11.280 -2.596 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.738 -12.304 -1.960 1.00 0.00 C ATOM 1416 C GLY A 95 -11.253 -12.026 -2.080 1.00 0.00 C ATOM 1417 O GLY A 95 -10.500 -12.219 -1.126 1.00 0.00 O ATOM 0 H GLY A 95 -14.107 -11.604 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.008 -12.373 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.961 -13.271 -2.411 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.830 -11.572 -3.256 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.423 -11.270 -3.496 1.00 0.00 C ATOM 1423 C GLU A 96 -9.263 -10.350 -4.703 1.00 0.00 C ATOM 1424 O GLU A 96 -9.924 -10.511 -5.730 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.632 -12.561 -3.716 1.00 0.00 C ATOM 1426 CG GLU A 96 -7.207 -12.328 -4.191 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.572 -13.578 -4.768 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.118 -14.432 -3.978 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -6.531 -13.703 -6.010 1.00 0.00 O ATOM 0 H GLU A 96 -11.440 -11.405 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 96 -9.032 -10.759 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.608 -13.126 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.154 -13.177 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.204 -11.542 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.604 -11.971 -3.356 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.365 -9.362 -4.579 1.00 0.00 N ATOM 1437 CA PRO A 97 -8.096 -8.397 -5.649 1.00 0.00 C ATOM 1438 C PRO A 97 -7.379 -9.032 -6.836 1.00 0.00 C ATOM 1439 O PRO A 97 -7.220 -10.251 -6.897 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.196 -7.360 -4.973 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.538 -8.098 -3.859 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.541 -9.112 -3.384 1.00 0.00 C ATOM 0 HA PRO A 97 -9.014 -7.980 -6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.461 -6.959 -5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.776 -6.516 -4.600 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.623 -8.584 -4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.258 -7.419 -3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.056 -10.023 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.139 -8.729 -2.557 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.949 -8.198 -7.776 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.248 -8.678 -8.961 1.00 0.00 C ATOM 1452 C ASP A 98 -4.781 -8.259 -8.931 1.00 0.00 C ATOM 1453 O ASP A 98 -4.465 -7.071 -8.850 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.918 -8.144 -10.228 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.431 -8.845 -11.480 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.291 -8.568 -11.910 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.189 -9.670 -12.032 1.00 0.00 O ATOM 0 H ASP A 98 -7.074 -7.186 -7.740 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.297 -9.767 -8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.998 -8.266 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.724 -7.075 -10.315 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.889 -9.241 -8.996 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.456 -8.976 -8.977 1.00 0.00 C ATOM 1464 C LYS A 99 -2.117 -7.755 -9.826 1.00 0.00 C ATOM 1465 O LYS A 99 -1.484 -6.811 -9.349 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.684 -10.195 -9.487 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.207 -10.172 -9.132 1.00 0.00 C ATOM 1468 CD LYS A 99 0.608 -9.442 -10.187 1.00 0.00 C ATOM 1469 CE LYS A 99 1.023 -10.374 -11.315 1.00 0.00 C ATOM 1470 NZ LYS A 99 2.126 -11.286 -10.903 1.00 0.00 N ATOM 0 H LYS A 99 -4.134 -10.229 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.163 -8.773 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.134 -11.098 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.788 -10.253 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.072 -9.686 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.160 -11.193 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.024 -8.616 -10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.496 -9.008 -9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.164 -10.964 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.341 -9.784 -12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.529 -11.746 -11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.867 -10.739 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.754 -12.011 -10.257 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.542 -7.778 -11.084 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.285 -6.672 -11.999 1.00 0.00 C ATOM 1486 C LEU A 100 -2.779 -5.354 -11.412 1.00 0.00 C ATOM 1487 O LEU A 100 -1.985 -4.517 -10.983 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.963 -6.930 -13.346 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.325 -8.008 -14.223 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.309 -8.488 -15.279 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.054 -7.483 -14.874 1.00 0.00 C ATOM 0 H LEU A 100 -3.066 -8.551 -11.494 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.208 -6.600 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.001 -7.208 -13.161 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.979 -5.996 -13.907 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.061 -8.855 -13.590 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.838 -9.255 -15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.191 -8.904 -14.792 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.605 -7.649 -15.909 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.614 -8.264 -15.494 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.293 -6.619 -15.494 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.344 -7.190 -14.101 1.00 0.00 H new ATOM 1503 N SER A 101 -4.096 -5.176 -11.396 1.00 0.00 N ATOM 1504 CA SER A 101 -4.697 -3.959 -10.863 1.00 0.00 C ATOM 1505 C SER A 101 -3.959 -3.491 -9.613 1.00 0.00 C ATOM 1506 O SER A 101 -3.548 -2.335 -9.518 1.00 0.00 O ATOM 1507 CB SER A 101 -6.174 -4.193 -10.539 1.00 0.00 C ATOM 1508 OG SER A 101 -6.910 -4.501 -11.710 1.00 0.00 O ATOM 0 H SER A 101 -4.767 -5.859 -11.746 1.00 0.00 H new ATOM 0 HA SER A 101 -4.618 -3.182 -11.623 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.268 -5.008 -9.822 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.591 -3.304 -10.067 1.00 0.00 H new ATOM 0 HG SER A 101 -7.850 -4.648 -11.476 1.00 0.00 H new ATOM 1514 N MET A 102 -3.794 -4.399 -8.656 1.00 0.00 N ATOM 1515 CA MET A 102 -3.104 -4.080 -7.411 1.00 0.00 C ATOM 1516 C MET A 102 -1.725 -3.489 -7.690 1.00 0.00 C ATOM 1517 O MET A 102 -1.447 -2.343 -7.336 1.00 0.00 O ATOM 1518 CB MET A 102 -2.968 -5.332 -6.543 1.00 0.00 C ATOM 1519 CG MET A 102 -4.256 -5.723 -5.836 1.00 0.00 C ATOM 1520 SD MET A 102 -4.908 -4.400 -4.799 1.00 0.00 S ATOM 1521 CE MET A 102 -3.647 -4.312 -3.529 1.00 0.00 C ATOM 0 H MET A 102 -4.128 -5.361 -8.719 1.00 0.00 H new ATOM 0 HA MET A 102 -3.697 -3.338 -6.876 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.639 -6.163 -7.167 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.190 -5.165 -5.798 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.004 -5.999 -6.579 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.075 -6.605 -5.222 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.093 -3.967 -2.596 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.212 -5.300 -3.379 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.867 -3.616 -3.838 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.865 -4.278 -8.326 1.00 0.00 N ATOM 1532 CA VAL A 103 0.484 -3.832 -8.652 1.00 0.00 C ATOM 1533 C VAL A 103 0.461 -2.477 -9.350 1.00 0.00 C ATOM 1534 O VAL A 103 1.137 -1.539 -8.928 1.00 0.00 O ATOM 1535 CB VAL A 103 1.208 -4.849 -9.554 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.594 -4.343 -9.924 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.293 -6.204 -8.868 1.00 0.00 C ATOM 0 H VAL A 103 -1.079 -5.229 -8.626 1.00 0.00 H new ATOM 0 HA VAL A 103 1.025 -3.743 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 103 0.633 -4.967 -10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.090 -5.075 -10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.505 -3.397 -10.458 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.181 -4.194 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.808 -6.910 -9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.845 -6.105 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.288 -6.570 -8.659 1.00 0.00 H new ATOM 1547 N MET A 104 -0.322 -2.381 -10.420 1.00 0.00 N ATOM 1548 CA MET A 104 -0.434 -1.139 -11.176 1.00 0.00 C ATOM 1549 C MET A 104 -0.758 0.031 -10.253 1.00 0.00 C ATOM 1550 O MET A 104 0.028 0.970 -10.126 1.00 0.00 O ATOM 1551 CB MET A 104 -1.513 -1.268 -12.253 1.00 0.00 C ATOM 1552 CG MET A 104 -1.269 -2.413 -13.223 1.00 0.00 C ATOM 1553 SD MET A 104 -2.631 -2.644 -14.382 1.00 0.00 S ATOM 1554 CE MET A 104 -2.678 -1.038 -15.173 1.00 0.00 C ATOM 0 H MET A 104 -0.888 -3.148 -10.783 1.00 0.00 H new ATOM 0 HA MET A 104 0.526 -0.946 -11.655 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.480 -1.410 -11.771 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.570 -0.334 -12.813 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.351 -2.223 -13.780 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.116 -3.334 -12.661 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.230 -1.110 -16.110 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.172 -0.323 -14.515 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.661 -0.702 -15.375 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.919 -0.031 -9.611 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.348 1.025 -8.702 1.00 0.00 C ATOM 1566 C TYR A 105 -1.222 1.415 -7.750 1.00 0.00 C ATOM 1567 O TYR A 105 -0.749 2.552 -7.760 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.573 0.574 -7.904 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.988 1.552 -6.828 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.514 2.795 -7.157 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.855 1.232 -5.483 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.894 3.691 -6.177 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.233 2.122 -4.496 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.752 3.350 -4.848 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.130 4.240 -3.869 1.00 0.00 O ATOM 0 H TYR A 105 -2.580 -0.802 -9.703 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.613 1.898 -9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.408 0.425 -8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.361 -0.391 -7.444 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.628 3.065 -8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.449 0.271 -5.204 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.300 4.654 -6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.123 1.857 -3.455 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.332 4.608 -3.436 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.795 0.462 -6.928 1.00 0.00 N ATOM 1586 CA LEU A 106 0.277 0.704 -5.969 1.00 0.00 C ATOM 1587 C LEU A 106 1.438 1.445 -6.624 1.00 0.00 C ATOM 1588 O LEU A 106 1.940 2.434 -6.089 1.00 0.00 O ATOM 1589 CB LEU A 106 0.769 -0.620 -5.380 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.252 -1.413 -4.564 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.121 -2.886 -4.528 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.358 -0.853 -3.153 1.00 0.00 C ATOM 0 H LEU A 106 -1.175 -0.485 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.120 1.327 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.119 -1.250 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.631 -0.414 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.225 -1.318 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.617 -3.434 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.144 -3.280 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.104 -3.001 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.089 -1.430 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.613 -0.917 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.674 0.189 -3.198 1.00 0.00 H new ATOM 1604 N THR A 107 1.860 0.961 -7.788 1.00 0.00 N ATOM 1605 CA THR A 107 2.961 1.578 -8.518 1.00 0.00 C ATOM 1606 C THR A 107 2.956 3.092 -8.344 1.00 0.00 C ATOM 1607 O THR A 107 4.009 3.713 -8.199 1.00 0.00 O ATOM 1608 CB THR A 107 2.895 1.245 -10.021 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.718 -0.164 -10.203 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.162 1.698 -10.731 1.00 0.00 C ATOM 0 H THR A 107 1.456 0.144 -8.245 1.00 0.00 H new ATOM 0 HA THR A 107 3.883 1.171 -8.103 1.00 0.00 H new ATOM 0 HB THR A 107 2.046 1.776 -10.452 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.794 -0.408 -9.985 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.093 1.453 -11.791 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.279 2.776 -10.615 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.024 1.191 -10.297 1.00 0.00 H new ATOM 1618 N GLN A 108 1.764 3.681 -8.360 1.00 0.00 N ATOM 1619 CA GLN A 108 1.624 5.124 -8.204 1.00 0.00 C ATOM 1620 C GLN A 108 2.349 5.610 -6.953 1.00 0.00 C ATOM 1621 O GLN A 108 3.155 6.539 -7.012 1.00 0.00 O ATOM 1622 CB GLN A 108 0.145 5.509 -8.132 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.637 5.156 -9.387 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.051 5.705 -9.367 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.258 6.915 -9.274 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -3.032 4.815 -9.455 1.00 0.00 N ATOM 0 H GLN A 108 0.883 3.182 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 108 2.076 5.603 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.311 5.009 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.065 6.581 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.112 5.546 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.674 4.072 -9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.814 3.821 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -4.004 5.125 -9.447 1.00 0.00 H new ATOM 1635 N PHE A 109 2.057 4.975 -5.822 1.00 0.00 N ATOM 1636 CA PHE A 109 2.681 5.344 -4.557 1.00 0.00 C ATOM 1637 C PHE A 109 4.193 5.150 -4.619 1.00 0.00 C ATOM 1638 O PHE A 109 4.959 6.092 -4.418 1.00 0.00 O ATOM 1639 CB PHE A 109 2.095 4.512 -3.414 1.00 0.00 C ATOM 1640 CG PHE A 109 0.648 4.806 -3.139 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.349 4.231 -3.910 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.285 5.659 -2.108 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.681 4.501 -3.659 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.046 5.933 -1.853 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.030 5.352 -2.628 1.00 0.00 C ATOM 0 H PHE A 109 1.393 4.204 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 109 2.475 6.398 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.203 3.454 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.673 4.695 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.082 3.564 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.050 6.115 -1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.449 4.047 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.316 6.601 -1.048 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.070 5.562 -2.429 1.00 0.00 H new ATOM 1655 N TYR A 110 4.614 3.921 -4.896 1.00 0.00 N ATOM 1656 CA TYR A 110 6.035 3.602 -4.982 1.00 0.00 C ATOM 1657 C TYR A 110 6.782 4.655 -5.794 1.00 0.00 C ATOM 1658 O TYR A 110 7.664 5.341 -5.278 1.00 0.00 O ATOM 1659 CB TYR A 110 6.231 2.222 -5.612 1.00 0.00 C ATOM 1660 CG TYR A 110 7.542 2.074 -6.350 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.731 1.870 -5.662 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.591 2.139 -7.738 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.931 1.735 -6.333 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.786 2.005 -8.417 1.00 0.00 C ATOM 1665 CZ TYR A 110 9.954 1.803 -7.710 1.00 0.00 C ATOM 1666 OH TYR A 110 11.147 1.669 -8.383 1.00 0.00 O ATOM 0 H TYR A 110 3.993 3.130 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 110 6.442 3.594 -3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.176 1.464 -4.831 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.411 2.028 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.717 1.816 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.679 2.297 -8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.846 1.577 -5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.806 2.058 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 110 10.988 1.740 -9.347 1.00 0.00 H new ATOM 1676 N GLU A 111 6.422 4.776 -7.068 1.00 0.00 N ATOM 1677 CA GLU A 111 7.058 5.745 -7.952 1.00 0.00 C ATOM 1678 C GLU A 111 6.991 7.149 -7.359 1.00 0.00 C ATOM 1679 O GLU A 111 7.750 8.036 -7.749 1.00 0.00 O ATOM 1680 CB GLU A 111 6.390 5.729 -9.329 1.00 0.00 C ATOM 1681 CG GLU A 111 6.772 4.527 -10.177 1.00 0.00 C ATOM 1682 CD GLU A 111 6.419 4.710 -11.640 1.00 0.00 C ATOM 1683 OE1 GLU A 111 5.495 5.496 -11.934 1.00 0.00 O ATOM 1684 OE2 GLU A 111 7.068 4.066 -12.491 1.00 0.00 O ATOM 0 H GLU A 111 5.694 4.215 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 111 8.106 5.465 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.308 5.742 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.658 6.640 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.843 4.348 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.267 3.641 -9.793 1.00 0.00 H new ATOM 1691 N MET A 112 6.077 7.343 -6.414 1.00 0.00 N ATOM 1692 CA MET A 112 5.910 8.639 -5.766 1.00 0.00 C ATOM 1693 C MET A 112 6.991 8.862 -4.712 1.00 0.00 C ATOM 1694 O MET A 112 7.440 9.989 -4.499 1.00 0.00 O ATOM 1695 CB MET A 112 4.526 8.737 -5.122 1.00 0.00 C ATOM 1696 CG MET A 112 4.037 10.166 -4.949 1.00 0.00 C ATOM 1697 SD MET A 112 3.720 10.987 -6.522 1.00 0.00 S ATOM 1698 CE MET A 112 1.936 10.864 -6.616 1.00 0.00 C ATOM 0 H MET A 112 5.441 6.619 -6.080 1.00 0.00 H new ATOM 0 HA MET A 112 6.004 9.413 -6.528 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.810 8.188 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.552 8.250 -4.147 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.124 10.164 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.780 10.735 -4.390 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.587 11.329 -7.538 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.643 9.814 -6.606 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.491 11.373 -5.761 1.00 0.00 H new ATOM 1708 N PHE A 113 7.403 7.783 -4.056 1.00 0.00 N ATOM 1709 CA PHE A 113 8.430 7.862 -3.023 1.00 0.00 C ATOM 1710 C PHE A 113 9.566 6.885 -3.310 1.00 0.00 C ATOM 1711 O PHE A 113 10.192 6.356 -2.392 1.00 0.00 O ATOM 1712 CB PHE A 113 7.825 7.569 -1.649 1.00 0.00 C ATOM 1713 CG PHE A 113 6.578 8.357 -1.362 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.554 9.731 -1.544 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.431 7.724 -0.912 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.409 10.458 -1.280 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.282 8.446 -0.647 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.271 9.815 -0.832 1.00 0.00 C ATOM 0 H PHE A 113 7.042 6.843 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 113 8.835 8.874 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.597 6.505 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.567 7.786 -0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.440 10.239 -1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.434 6.654 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.404 11.528 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.395 7.941 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.375 10.382 -0.627 1.00 0.00 H new ATOM 1728 N LYS A 114 9.826 6.649 -4.592 1.00 0.00 N ATOM 1729 CA LYS A 114 10.886 5.736 -5.002 1.00 0.00 C ATOM 1730 C LYS A 114 12.245 6.429 -4.965 1.00 0.00 C ATOM 1731 O LYS A 114 13.270 5.792 -4.724 1.00 0.00 O ATOM 1732 CB LYS A 114 10.612 5.204 -6.410 1.00 0.00 C ATOM 1733 CG LYS A 114 10.997 6.174 -7.514 1.00 0.00 C ATOM 1734 CD LYS A 114 10.932 5.517 -8.882 1.00 0.00 C ATOM 1735 CE LYS A 114 10.657 6.536 -9.977 1.00 0.00 C ATOM 1736 NZ LYS A 114 11.656 7.640 -9.971 1.00 0.00 N ATOM 0 H LYS A 114 9.317 7.078 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 114 10.904 4.901 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.160 4.272 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.552 4.967 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.330 7.036 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.006 6.547 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.873 5.006 -9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.150 4.758 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.671 6.039 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 114 9.657 6.950 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.562 8.198 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.491 8.253 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.615 7.240 -9.918 1.00 0.00 H new ATOM 1750 N ASP A 115 12.245 7.735 -5.204 1.00 0.00 N ATOM 1751 CA ASP A 115 13.477 8.515 -5.196 1.00 0.00 C ATOM 1752 C ASP A 115 13.872 8.892 -3.771 1.00 0.00 C ATOM 1753 O ASP A 115 14.973 8.580 -3.319 1.00 0.00 O ATOM 1754 CB ASP A 115 13.314 9.777 -6.044 1.00 0.00 C ATOM 1755 CG ASP A 115 14.640 10.442 -6.354 1.00 0.00 C ATOM 1756 OD1 ASP A 115 15.662 9.726 -6.416 1.00 0.00 O ATOM 1757 OD2 ASP A 115 14.657 11.678 -6.535 1.00 0.00 O ATOM 0 H ASP A 115 11.405 8.277 -5.406 1.00 0.00 H new ATOM 0 HA ASP A 115 14.269 7.900 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.812 9.522 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.671 10.483 -5.519 1.00 0.00 H new ATOM 1762 N SER A 116 12.965 9.565 -3.070 1.00 0.00 N ATOM 1763 CA SER A 116 13.220 9.989 -1.698 1.00 0.00 C ATOM 1764 C SER A 116 13.959 8.902 -0.922 1.00 0.00 C ATOM 1765 O SER A 116 14.955 9.171 -0.252 1.00 0.00 O ATOM 1766 CB SER A 116 11.905 10.329 -0.994 1.00 0.00 C ATOM 1767 OG SER A 116 11.395 11.574 -1.441 1.00 0.00 O ATOM 0 H SER A 116 12.047 9.828 -3.429 1.00 0.00 H new ATOM 0 HA SER A 116 13.848 10.880 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.174 9.543 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.064 10.363 0.084 1.00 0.00 H new ATOM 0 HG SER A 116 10.554 11.768 -0.978 1.00 0.00 H new ATOM 1773 N GLY A 117 13.462 7.673 -1.019 1.00 0.00 N ATOM 1774 CA GLY A 117 14.086 6.563 -0.321 1.00 0.00 C ATOM 1775 C GLY A 117 15.541 6.382 -0.705 1.00 0.00 C ATOM 1776 O GLY A 117 15.984 6.821 -1.767 1.00 0.00 O ATOM 0 H GLY A 117 12.639 7.426 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.015 6.728 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.539 5.646 -0.540 1.00 0.00 H new ATOM 1780 N PRO A 118 16.310 5.722 0.172 1.00 0.00 N ATOM 1781 CA PRO A 118 17.736 5.469 -0.058 1.00 0.00 C ATOM 1782 C PRO A 118 17.973 4.458 -1.175 1.00 0.00 C ATOM 1783 O PRO A 118 17.026 3.957 -1.782 1.00 0.00 O ATOM 1784 CB PRO A 118 18.218 4.908 1.282 1.00 0.00 C ATOM 1785 CG PRO A 118 17.001 4.314 1.904 1.00 0.00 C ATOM 1786 CD PRO A 118 15.848 5.170 1.457 1.00 0.00 C ATOM 0 HA PRO A 118 18.264 6.369 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 118 18.996 4.158 1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 118 18.641 5.692 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 118 16.866 3.280 1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 118 17.083 4.306 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.936 4.585 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.630 5.958 2.178 1.00 0.00 H new ATOM 1794 N SER A 119 19.241 4.164 -1.442 1.00 0.00 N ATOM 1795 CA SER A 119 19.602 3.215 -2.488 1.00 0.00 C ATOM 1796 C SER A 119 20.555 2.151 -1.953 1.00 0.00 C ATOM 1797 O SER A 119 20.352 0.956 -2.165 1.00 0.00 O ATOM 1798 CB SER A 119 20.245 3.945 -3.668 1.00 0.00 C ATOM 1799 OG SER A 119 21.312 4.772 -3.236 1.00 0.00 O ATOM 0 H SER A 119 20.036 4.570 -0.948 1.00 0.00 H new ATOM 0 HA SER A 119 18.691 2.723 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 119 20.614 3.218 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 119 19.495 4.550 -4.178 1.00 0.00 H new ATOM 0 HG SER A 119 21.707 5.226 -4.009 1.00 0.00 H new ATOM 1805 N SER A 120 21.597 2.596 -1.256 1.00 0.00 N ATOM 1806 CA SER A 120 22.585 1.684 -0.693 1.00 0.00 C ATOM 1807 C SER A 120 22.765 1.935 0.801 1.00 0.00 C ATOM 1808 O SER A 120 23.529 2.809 1.208 1.00 0.00 O ATOM 1809 CB SER A 120 23.925 1.842 -1.413 1.00 0.00 C ATOM 1810 OG SER A 120 23.943 1.106 -2.624 1.00 0.00 O ATOM 0 H SER A 120 21.778 3.582 -1.068 1.00 0.00 H new ATOM 0 HA SER A 120 22.224 0.665 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 120 24.107 2.896 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 120 24.732 1.501 -0.765 1.00 0.00 H new ATOM 0 HG SER A 120 24.809 1.225 -3.066 1.00 0.00 H new ATOM 1816 N GLY A 121 22.055 1.159 1.615 1.00 0.00 N ATOM 1817 CA GLY A 121 22.150 1.312 3.055 1.00 0.00 C ATOM 1818 C GLY A 121 20.808 1.161 3.744 1.00 0.00 C ATOM 1819 O GLY A 121 20.704 1.329 4.959 1.00 0.00 O ATOM 0 H GLY A 121 21.416 0.428 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 121 22.844 0.570 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 121 22.565 2.293 3.286 1.00 0.00 H new TER 1823 GLY A 121