USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 539 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 Single : A 19 SER OG : rot 180:sc= -0.0855 USER MOD Single : A 23 GLN : amide:sc= -1.66! C(o=-1.7!,f=-5.9!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.246 USER MOD Single : A 30 GLN : amide:sc= -1.59! C(o=-1.6!,f=-3.1!) USER MOD Single : A 31 CYS SG : rot -28:sc= 0.182 USER MOD Single : A 34 ASN : amide:sc= -2.03! C(o=-2!,f=-2!) USER MOD Single : A 36 ASN : amide:sc= -9.6! C(o=-9.6!,f=-22!) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.262 (180deg=-0.709) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= -2.03 (180deg=-3.72!) USER MOD Single : A 47 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-10!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -3.61! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.7! C(o=-4.7!,f=-7.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.237 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= -2.87! (180deg=-8.47!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -7.258 -10.917 2.778 1.00 0.00 N ATOM 2 CA GLU A 16 -7.030 -11.086 1.313 1.00 0.00 C ATOM 3 C GLU A 16 -8.208 -10.508 0.525 1.00 0.00 C ATOM 4 O GLU A 16 -8.619 -11.048 -0.482 1.00 0.00 O ATOM 5 CB GLU A 16 -6.929 -12.597 1.100 1.00 0.00 C ATOM 6 CG GLU A 16 -5.456 -13.008 1.041 1.00 0.00 C ATOM 7 CD GLU A 16 -4.862 -12.591 -0.306 1.00 0.00 C ATOM 8 OE1 GLU A 16 -4.388 -11.469 -0.400 1.00 0.00 O ATOM 9 OE2 GLU A 16 -4.889 -13.398 -1.219 1.00 0.00 O ATOM 0 HA GLU A 16 -6.135 -10.566 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.432 -13.124 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.433 -12.879 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.904 -12.538 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.363 -14.086 1.173 1.00 0.00 H new ATOM 16 N GLU A 17 -8.754 -9.412 0.977 1.00 0.00 N ATOM 17 CA GLU A 17 -9.905 -8.798 0.255 1.00 0.00 C ATOM 18 C GLU A 17 -10.214 -7.416 0.837 1.00 0.00 C ATOM 19 O GLU A 17 -11.357 -7.017 0.944 1.00 0.00 O ATOM 20 CB GLU A 17 -11.075 -9.754 0.491 1.00 0.00 C ATOM 21 CG GLU A 17 -11.936 -9.830 -0.772 1.00 0.00 C ATOM 22 CD GLU A 17 -13.384 -9.481 -0.425 1.00 0.00 C ATOM 23 OE1 GLU A 17 -14.105 -10.375 -0.016 1.00 0.00 O ATOM 24 OE2 GLU A 17 -13.747 -8.326 -0.575 1.00 0.00 O ATOM 0 H GLU A 17 -8.453 -8.915 1.815 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.702 -8.658 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.702 -10.745 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.676 -9.410 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.556 -9.141 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.885 -10.831 -1.200 1.00 0.00 H new ATOM 31 N GLU A 18 -9.202 -6.686 1.216 1.00 0.00 N ATOM 32 CA GLU A 18 -9.433 -5.331 1.795 1.00 0.00 C ATOM 33 C GLU A 18 -10.318 -4.500 0.861 1.00 0.00 C ATOM 34 O GLU A 18 -10.856 -4.997 -0.109 1.00 0.00 O ATOM 35 CB GLU A 18 -8.041 -4.709 1.913 1.00 0.00 C ATOM 36 CG GLU A 18 -7.390 -5.164 3.221 1.00 0.00 C ATOM 37 CD GLU A 18 -7.247 -6.687 3.215 1.00 0.00 C ATOM 38 OE1 GLU A 18 -8.167 -7.351 3.664 1.00 0.00 O ATOM 39 OE2 GLU A 18 -6.220 -7.164 2.762 1.00 0.00 O ATOM 0 H GLU A 18 -8.224 -6.969 1.150 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.943 -5.374 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.425 -5.006 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.113 -3.622 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.412 -4.696 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.995 -4.848 4.070 1.00 0.00 H new ATOM 46 N SER A 19 -10.476 -3.236 1.150 1.00 0.00 N ATOM 47 CA SER A 19 -11.329 -2.374 0.283 1.00 0.00 C ATOM 48 C SER A 19 -10.710 -2.238 -1.111 1.00 0.00 C ATOM 49 O SER A 19 -9.577 -2.613 -1.337 1.00 0.00 O ATOM 50 CB SER A 19 -11.362 -1.018 0.989 1.00 0.00 C ATOM 51 OG SER A 19 -12.085 -0.090 0.191 1.00 0.00 O ATOM 0 H SER A 19 -10.051 -2.764 1.948 1.00 0.00 H new ATOM 0 HA SER A 19 -12.327 -2.789 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.831 -1.116 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.347 -0.658 1.157 1.00 0.00 H new ATOM 0 HG SER A 19 -12.109 0.780 0.642 1.00 0.00 H new ATOM 57 N PHE A 20 -11.446 -1.702 -2.045 1.00 0.00 N ATOM 58 CA PHE A 20 -10.905 -1.536 -3.423 1.00 0.00 C ATOM 59 C PHE A 20 -11.291 -0.158 -3.967 1.00 0.00 C ATOM 60 O PHE A 20 -11.650 -0.011 -5.118 1.00 0.00 O ATOM 61 CB PHE A 20 -11.565 -2.641 -4.249 1.00 0.00 C ATOM 62 CG PHE A 20 -10.735 -3.901 -4.168 1.00 0.00 C ATOM 63 CD1 PHE A 20 -9.529 -3.992 -4.876 1.00 0.00 C ATOM 64 CD2 PHE A 20 -11.171 -4.978 -3.387 1.00 0.00 C ATOM 65 CE1 PHE A 20 -8.761 -5.159 -4.802 1.00 0.00 C ATOM 66 CE2 PHE A 20 -10.402 -6.146 -3.314 1.00 0.00 C ATOM 67 CZ PHE A 20 -9.197 -6.236 -4.020 1.00 0.00 C ATOM 0 H PHE A 20 -12.402 -1.371 -1.913 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.818 -1.605 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -12.572 -2.833 -3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.662 -2.324 -5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.193 -3.161 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -12.100 -4.908 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.832 -5.229 -5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.739 -6.978 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.603 -7.136 -3.962 1.00 0.00 H new ATOM 77 N GLY A 21 -11.228 0.848 -3.140 1.00 0.00 N ATOM 78 CA GLY A 21 -11.600 2.216 -3.598 1.00 0.00 C ATOM 79 C GLY A 21 -10.375 2.927 -4.178 1.00 0.00 C ATOM 80 O GLY A 21 -9.579 2.330 -4.877 1.00 0.00 O ATOM 0 H GLY A 21 -10.935 0.782 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.385 2.155 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.003 2.790 -2.764 1.00 0.00 H new ATOM 84 N PRO A 22 -10.274 4.193 -3.871 1.00 0.00 N ATOM 85 CA PRO A 22 -9.144 5.019 -4.368 1.00 0.00 C ATOM 86 C PRO A 22 -7.828 4.645 -3.672 1.00 0.00 C ATOM 87 O PRO A 22 -6.782 4.625 -4.288 1.00 0.00 O ATOM 88 CB PRO A 22 -9.561 6.445 -4.013 1.00 0.00 C ATOM 89 CG PRO A 22 -10.514 6.297 -2.869 1.00 0.00 C ATOM 90 CD PRO A 22 -11.199 4.967 -3.036 1.00 0.00 C ATOM 0 HA PRO A 22 -8.960 4.879 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.699 7.050 -3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.036 6.940 -4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.984 6.341 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.242 7.108 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.369 4.482 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.172 5.077 -3.515 1.00 0.00 H new ATOM 98 N GLN A 23 -7.868 4.352 -2.399 1.00 0.00 N ATOM 99 CA GLN A 23 -6.611 3.981 -1.680 1.00 0.00 C ATOM 100 C GLN A 23 -5.639 5.151 -1.649 1.00 0.00 C ATOM 101 O GLN A 23 -4.488 5.014 -1.998 1.00 0.00 O ATOM 102 CB GLN A 23 -6.028 2.805 -2.464 1.00 0.00 C ATOM 103 CG GLN A 23 -7.136 1.791 -2.755 1.00 0.00 C ATOM 104 CD GLN A 23 -7.673 1.236 -1.434 1.00 0.00 C ATOM 105 OE1 GLN A 23 -7.242 1.640 -0.373 1.00 0.00 O ATOM 106 NE2 GLN A 23 -8.602 0.320 -1.455 1.00 0.00 N ATOM 0 H GLN A 23 -8.712 4.353 -1.827 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.803 3.716 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.588 3.158 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.228 2.333 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.940 2.265 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.750 0.980 -3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.964 -0.019 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.966 -0.057 -0.580 1.00 0.00 H new ATOM 115 N PRO A 24 -6.134 6.262 -1.193 1.00 0.00 N ATOM 116 CA PRO A 24 -5.290 7.464 -1.082 1.00 0.00 C ATOM 117 C PRO A 24 -4.256 7.230 0.014 1.00 0.00 C ATOM 118 O PRO A 24 -4.217 7.927 1.007 1.00 0.00 O ATOM 119 CB PRO A 24 -6.276 8.567 -0.703 1.00 0.00 C ATOM 120 CG PRO A 24 -7.417 7.848 -0.060 1.00 0.00 C ATOM 121 CD PRO A 24 -7.503 6.501 -0.730 1.00 0.00 C ATOM 0 HA PRO A 24 -4.740 7.716 -1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.824 9.285 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.603 9.125 -1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.253 7.739 1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.346 8.404 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.833 5.728 -0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.211 6.509 -1.558 1.00 0.00 H new ATOM 129 N ILE A 25 -3.414 6.244 -0.164 1.00 0.00 N ATOM 130 CA ILE A 25 -2.379 5.962 0.865 1.00 0.00 C ATOM 131 C ILE A 25 -1.298 7.034 0.811 1.00 0.00 C ATOM 132 O ILE A 25 -0.336 7.002 1.553 1.00 0.00 O ATOM 133 CB ILE A 25 -1.795 4.601 0.494 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.973 4.737 -0.786 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.923 3.598 0.265 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.271 3.413 -1.086 1.00 0.00 C ATOM 0 H ILE A 25 -3.401 5.626 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.791 5.960 1.874 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.159 4.248 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.620 5.014 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.237 5.534 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.500 2.629 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.513 3.500 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.562 3.948 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.315 3.511 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.389 3.155 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.016 2.628 -1.215 1.00 0.00 H new ATOM 148 N SER A 26 -1.450 7.971 -0.080 1.00 0.00 N ATOM 149 CA SER A 26 -0.438 9.057 -0.222 1.00 0.00 C ATOM 150 C SER A 26 0.123 9.460 1.140 1.00 0.00 C ATOM 151 O SER A 26 1.280 9.255 1.427 1.00 0.00 O ATOM 152 CB SER A 26 -1.195 10.223 -0.854 1.00 0.00 C ATOM 153 OG SER A 26 -0.772 11.438 -0.250 1.00 0.00 O ATOM 0 H SER A 26 -2.239 8.033 -0.723 1.00 0.00 H new ATOM 0 HA SER A 26 0.413 8.742 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.010 10.253 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.269 10.091 -0.719 1.00 0.00 H new ATOM 0 HG SER A 26 -1.254 12.189 -0.654 1.00 0.00 H new ATOM 159 N ARG A 27 -0.684 10.038 1.975 1.00 0.00 N ATOM 160 CA ARG A 27 -0.189 10.467 3.314 1.00 0.00 C ATOM 161 C ARG A 27 -0.015 9.266 4.253 1.00 0.00 C ATOM 162 O ARG A 27 0.639 9.358 5.269 1.00 0.00 O ATOM 163 CB ARG A 27 -1.277 11.402 3.842 1.00 0.00 C ATOM 164 CG ARG A 27 -0.640 12.691 4.363 1.00 0.00 C ATOM 165 CD ARG A 27 -1.369 13.142 5.632 1.00 0.00 C ATOM 166 NE ARG A 27 -2.780 13.362 5.207 1.00 0.00 N ATOM 167 CZ ARG A 27 -3.744 13.335 6.090 1.00 0.00 C ATOM 168 NH1 ARG A 27 -3.474 13.134 7.352 1.00 0.00 N ATOM 169 NH2 ARG A 27 -4.978 13.517 5.710 1.00 0.00 N ATOM 0 H ARG A 27 -1.668 10.235 1.792 1.00 0.00 H new ATOM 0 HA ARG A 27 0.787 10.948 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.989 11.631 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.835 10.912 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.416 12.527 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.695 13.470 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.306 12.385 6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.931 14.055 6.036 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.994 13.534 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.509 12.997 7.652 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.229 13.114 8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.190 13.680 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.732 13.496 6.397 1.00 0.00 H new ATOM 183 N LEU A 28 -0.608 8.150 3.937 1.00 0.00 N ATOM 184 CA LEU A 28 -0.489 6.962 4.838 1.00 0.00 C ATOM 185 C LEU A 28 0.892 6.306 4.751 1.00 0.00 C ATOM 186 O LEU A 28 1.663 6.348 5.689 1.00 0.00 O ATOM 187 CB LEU A 28 -1.575 5.999 4.364 1.00 0.00 C ATOM 188 CG LEU A 28 -2.593 5.806 5.488 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.031 7.174 6.018 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.812 5.055 4.951 1.00 0.00 C ATOM 0 H LEU A 28 -1.169 8.005 3.098 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.609 7.247 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.066 6.394 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.134 5.041 4.086 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.138 5.230 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.757 7.038 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.163 7.711 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.485 7.749 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.537 4.918 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.267 5.630 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.502 4.081 4.572 1.00 0.00 H new ATOM 202 N GLU A 29 1.208 5.674 3.657 1.00 0.00 N ATOM 203 CA GLU A 29 2.533 4.997 3.563 1.00 0.00 C ATOM 204 C GLU A 29 3.658 6.001 3.313 1.00 0.00 C ATOM 205 O GLU A 29 4.788 5.775 3.695 1.00 0.00 O ATOM 206 CB GLU A 29 2.398 4.007 2.396 1.00 0.00 C ATOM 207 CG GLU A 29 2.512 4.725 1.048 1.00 0.00 C ATOM 208 CD GLU A 29 3.110 3.759 0.024 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.016 3.028 0.387 1.00 0.00 O ATOM 210 OE2 GLU A 29 2.652 3.765 -1.105 1.00 0.00 O ATOM 0 H GLU A 29 0.615 5.596 2.831 1.00 0.00 H new ATOM 0 HA GLU A 29 2.793 4.492 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.172 3.243 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.438 3.495 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.531 5.065 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.141 5.610 1.144 1.00 0.00 H new ATOM 217 N GLN A 30 3.384 7.103 2.678 1.00 0.00 N ATOM 218 CA GLN A 30 4.484 8.071 2.433 1.00 0.00 C ATOM 219 C GLN A 30 4.820 8.806 3.735 1.00 0.00 C ATOM 220 O GLN A 30 5.944 9.208 3.956 1.00 0.00 O ATOM 221 CB GLN A 30 3.971 9.026 1.340 1.00 0.00 C ATOM 222 CG GLN A 30 3.505 10.357 1.948 1.00 0.00 C ATOM 223 CD GLN A 30 2.918 11.243 0.848 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.068 10.957 -0.322 1.00 0.00 O ATOM 225 NE2 GLN A 30 2.251 12.315 1.177 1.00 0.00 N ATOM 0 H GLN A 30 2.466 7.372 2.324 1.00 0.00 H new ATOM 0 HA GLN A 30 5.404 7.588 2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.762 9.211 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.146 8.559 0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.758 10.174 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.343 10.863 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.125 12.555 2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.856 12.913 0.451 1.00 0.00 H new ATOM 234 N CYS A 31 3.860 8.967 4.608 1.00 0.00 N ATOM 235 CA CYS A 31 4.149 9.656 5.894 1.00 0.00 C ATOM 236 C CYS A 31 4.844 8.673 6.832 1.00 0.00 C ATOM 237 O CYS A 31 5.452 9.052 7.813 1.00 0.00 O ATOM 238 CB CYS A 31 2.789 10.061 6.454 1.00 0.00 C ATOM 239 SG CYS A 31 3.021 10.974 7.999 1.00 0.00 S ATOM 0 H CYS A 31 2.897 8.653 4.485 1.00 0.00 H new ATOM 0 HA CYS A 31 4.798 10.523 5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.255 10.678 5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.178 9.176 6.630 1.00 0.00 H new ATOM 0 HG CYS A 31 4.124 10.589 8.569 1.00 0.00 H new ATOM 245 N GLY A 32 4.771 7.405 6.523 1.00 0.00 N ATOM 246 CA GLY A 32 5.444 6.393 7.380 1.00 0.00 C ATOM 247 C GLY A 32 4.442 5.352 7.886 1.00 0.00 C ATOM 248 O GLY A 32 4.222 5.228 9.074 1.00 0.00 O ATOM 0 H GLY A 32 4.275 7.030 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.233 5.899 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.920 6.887 8.227 1.00 0.00 H new ATOM 252 N ILE A 33 3.859 4.568 7.012 1.00 0.00 N ATOM 253 CA ILE A 33 2.924 3.522 7.499 1.00 0.00 C ATOM 254 C ILE A 33 3.771 2.327 7.940 1.00 0.00 C ATOM 255 O ILE A 33 4.739 2.480 8.658 1.00 0.00 O ATOM 256 CB ILE A 33 1.993 3.187 6.308 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.798 2.372 6.813 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.738 2.375 5.234 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.489 3.173 6.612 1.00 0.00 C ATOM 0 H ILE A 33 3.990 4.609 6.001 1.00 0.00 H new ATOM 0 HA ILE A 33 2.313 3.830 8.348 1.00 0.00 H new ATOM 0 HB ILE A 33 1.654 4.123 5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.737 1.425 6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.928 2.132 7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.060 2.154 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.584 2.953 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.098 1.442 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.339 2.593 6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.426 4.108 7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.620 3.390 5.552 1.00 0.00 H new ATOM 271 N ASN A 34 3.442 1.153 7.517 1.00 0.00 N ATOM 272 CA ASN A 34 4.259 -0.032 7.913 1.00 0.00 C ATOM 273 C ASN A 34 5.512 -0.120 7.032 1.00 0.00 C ATOM 274 O ASN A 34 5.975 0.869 6.499 1.00 0.00 O ATOM 275 CB ASN A 34 3.352 -1.240 7.685 1.00 0.00 C ATOM 276 CG ASN A 34 3.572 -2.258 8.806 1.00 0.00 C ATOM 277 OD1 ASN A 34 3.966 -3.380 8.554 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.334 -1.914 10.042 1.00 0.00 N ATOM 0 H ASN A 34 2.645 0.951 6.914 1.00 0.00 H new ATOM 0 HA ASN A 34 4.598 0.025 8.947 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.308 -0.926 7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.569 -1.694 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.479 -2.586 10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.003 -0.973 10.255 1.00 0.00 H new ATOM 285 N ALA A 35 6.063 -1.296 6.867 1.00 0.00 N ATOM 286 CA ALA A 35 7.282 -1.431 6.011 1.00 0.00 C ATOM 287 C ALA A 35 7.016 -0.846 4.625 1.00 0.00 C ATOM 288 O ALA A 35 7.928 -0.569 3.870 1.00 0.00 O ATOM 289 CB ALA A 35 7.536 -2.937 5.904 1.00 0.00 C ATOM 0 H ALA A 35 5.725 -2.163 7.284 1.00 0.00 H new ATOM 0 HA ALA A 35 8.137 -0.901 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.418 -3.114 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.699 -3.350 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.672 -3.420 5.448 1.00 0.00 H new ATOM 295 N ASN A 36 5.774 -0.671 4.280 1.00 0.00 N ATOM 296 CA ASN A 36 5.443 -0.122 2.938 1.00 0.00 C ATOM 297 C ASN A 36 6.278 1.104 2.622 1.00 0.00 C ATOM 298 O ASN A 36 7.145 1.068 1.773 1.00 0.00 O ATOM 299 CB ASN A 36 3.982 0.302 3.015 1.00 0.00 C ATOM 300 CG ASN A 36 3.077 -0.925 3.023 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.297 -1.859 2.284 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.056 -0.960 3.836 1.00 0.00 N ATOM 0 H ASN A 36 4.971 -0.885 4.871 1.00 0.00 H new ATOM 0 HA ASN A 36 5.636 -0.866 2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.814 0.892 3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.735 0.939 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.442 -1.775 3.849 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.872 -0.173 4.458 1.00 0.00 H new ATOM 309 N ASP A 37 5.980 2.197 3.279 1.00 0.00 N ATOM 310 CA ASP A 37 6.706 3.471 3.023 1.00 0.00 C ATOM 311 C ASP A 37 8.106 3.203 2.478 1.00 0.00 C ATOM 312 O ASP A 37 8.376 3.385 1.304 1.00 0.00 O ATOM 313 CB ASP A 37 6.783 4.155 4.394 1.00 0.00 C ATOM 314 CG ASP A 37 7.496 5.502 4.257 1.00 0.00 C ATOM 315 OD1 ASP A 37 8.648 5.503 3.856 1.00 0.00 O ATOM 316 OD2 ASP A 37 6.878 6.510 4.557 1.00 0.00 O ATOM 0 H ASP A 37 5.253 2.257 3.992 1.00 0.00 H new ATOM 0 HA ASP A 37 6.202 4.087 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.780 4.302 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.318 3.519 5.099 1.00 0.00 H new ATOM 321 N VAL A 38 8.986 2.763 3.324 1.00 0.00 N ATOM 322 CA VAL A 38 10.379 2.481 2.896 1.00 0.00 C ATOM 323 C VAL A 38 10.457 1.511 1.708 1.00 0.00 C ATOM 324 O VAL A 38 11.071 1.808 0.710 1.00 0.00 O ATOM 325 CB VAL A 38 11.032 1.858 4.128 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.530 1.683 3.882 1.00 0.00 C ATOM 327 CG2 VAL A 38 10.819 2.778 5.333 1.00 0.00 C ATOM 0 H VAL A 38 8.797 2.584 4.310 1.00 0.00 H new ATOM 0 HA VAL A 38 10.872 3.390 2.552 1.00 0.00 H new ATOM 0 HB VAL A 38 10.582 0.885 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.994 1.238 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.684 1.031 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.982 2.655 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.284 2.336 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.270 3.750 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.751 2.904 5.511 1.00 0.00 H new ATOM 337 N LYS A 39 9.886 0.345 1.801 1.00 0.00 N ATOM 338 CA LYS A 39 10.021 -0.612 0.661 1.00 0.00 C ATOM 339 C LYS A 39 8.989 -0.361 -0.439 1.00 0.00 C ATOM 340 O LYS A 39 9.331 -0.075 -1.578 1.00 0.00 O ATOM 341 CB LYS A 39 9.809 -1.992 1.284 1.00 0.00 C ATOM 342 CG LYS A 39 11.077 -2.414 2.029 1.00 0.00 C ATOM 343 CD LYS A 39 11.072 -1.807 3.433 1.00 0.00 C ATOM 344 CE LYS A 39 11.348 -2.902 4.466 1.00 0.00 C ATOM 345 NZ LYS A 39 12.819 -2.858 4.689 1.00 0.00 N ATOM 0 H LYS A 39 9.342 0.014 2.597 1.00 0.00 H new ATOM 0 HA LYS A 39 10.992 -0.507 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.962 -1.967 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.570 -2.720 0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.130 -3.501 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.960 -2.083 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.829 -1.026 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.109 -1.338 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.803 -2.718 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.033 -3.879 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.140 -3.771 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.301 -2.669 3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.045 -2.103 5.367 1.00 0.00 H new ATOM 359 N LYS A 40 7.737 -0.499 -0.117 1.00 0.00 N ATOM 360 CA LYS A 40 6.674 -0.316 -1.143 1.00 0.00 C ATOM 361 C LYS A 40 6.987 0.834 -2.100 1.00 0.00 C ATOM 362 O LYS A 40 7.100 0.634 -3.290 1.00 0.00 O ATOM 363 CB LYS A 40 5.403 -0.009 -0.367 1.00 0.00 C ATOM 364 CG LYS A 40 4.413 -1.170 -0.526 1.00 0.00 C ATOM 365 CD LYS A 40 3.120 -0.661 -1.164 1.00 0.00 C ATOM 366 CE LYS A 40 2.671 0.614 -0.452 1.00 0.00 C ATOM 367 NZ LYS A 40 1.217 0.732 -0.755 1.00 0.00 N ATOM 0 H LYS A 40 7.400 -0.732 0.817 1.00 0.00 H new ATOM 0 HA LYS A 40 6.585 -1.210 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.636 0.143 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.956 0.916 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.852 -1.953 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.200 -1.615 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.278 -0.462 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.343 -1.422 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.847 0.549 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.221 1.483 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.751 1.288 -0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.091 1.208 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.793 -0.217 -0.796 1.00 0.00 H new ATOM 381 N LEU A 41 7.069 2.044 -1.609 1.00 0.00 N ATOM 382 CA LEU A 41 7.288 3.195 -2.537 1.00 0.00 C ATOM 383 C LEU A 41 8.752 3.507 -2.853 1.00 0.00 C ATOM 384 O LEU A 41 9.022 4.247 -3.779 1.00 0.00 O ATOM 385 CB LEU A 41 6.638 4.387 -1.834 1.00 0.00 C ATOM 386 CG LEU A 41 7.612 4.988 -0.814 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.264 6.243 -1.399 1.00 0.00 C ATOM 388 CD2 LEU A 41 6.849 5.353 0.459 1.00 0.00 C ATOM 0 H LEU A 41 6.995 2.284 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 41 6.859 2.957 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.354 5.142 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.723 4.070 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 41 8.387 4.259 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.955 6.667 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.808 5.981 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.493 6.976 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.539 5.781 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.074 6.082 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.390 4.457 0.877 1.00 0.00 H new ATOM 400 N GLU A 42 9.706 3.027 -2.116 1.00 0.00 N ATOM 401 CA GLU A 42 11.093 3.429 -2.466 1.00 0.00 C ATOM 402 C GLU A 42 11.543 2.835 -3.801 1.00 0.00 C ATOM 403 O GLU A 42 12.265 3.469 -4.547 1.00 0.00 O ATOM 404 CB GLU A 42 11.984 2.944 -1.332 1.00 0.00 C ATOM 405 CG GLU A 42 13.442 3.275 -1.657 1.00 0.00 C ATOM 406 CD GLU A 42 14.280 1.996 -1.622 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.804 1.013 -1.078 1.00 0.00 O ATOM 408 OE2 GLU A 42 15.384 2.021 -2.141 1.00 0.00 O ATOM 0 H GLU A 42 9.598 2.400 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 42 11.152 4.511 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.691 3.419 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.865 1.869 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.509 3.739 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.831 3.996 -0.938 1.00 0.00 H new ATOM 415 N GLU A 43 11.143 1.640 -4.127 1.00 0.00 N ATOM 416 CA GLU A 43 11.589 1.070 -5.429 1.00 0.00 C ATOM 417 C GLU A 43 10.738 1.649 -6.564 1.00 0.00 C ATOM 418 O GLU A 43 11.229 1.943 -7.636 1.00 0.00 O ATOM 419 CB GLU A 43 11.396 -0.447 -5.280 1.00 0.00 C ATOM 420 CG GLU A 43 10.677 -1.030 -6.502 1.00 0.00 C ATOM 421 CD GLU A 43 11.572 -0.888 -7.734 1.00 0.00 C ATOM 422 OE1 GLU A 43 12.455 -0.047 -7.706 1.00 0.00 O ATOM 423 OE2 GLU A 43 11.360 -1.624 -8.683 1.00 0.00 O ATOM 0 H GLU A 43 10.539 1.042 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 43 12.624 1.309 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.365 -0.931 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.819 -0.657 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.439 -2.080 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.732 -0.511 -6.664 1.00 0.00 H new ATOM 430 N ALA A 44 9.468 1.806 -6.336 1.00 0.00 N ATOM 431 CA ALA A 44 8.583 2.354 -7.397 1.00 0.00 C ATOM 432 C ALA A 44 8.025 3.714 -6.977 1.00 0.00 C ATOM 433 O ALA A 44 8.340 4.733 -7.560 1.00 0.00 O ATOM 434 CB ALA A 44 7.456 1.336 -7.519 1.00 0.00 C ATOM 0 H ALA A 44 9.002 1.578 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 44 9.111 2.507 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.752 1.662 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.870 0.367 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.939 1.250 -6.563 1.00 0.00 H new ATOM 440 N GLY A 45 7.195 3.735 -5.973 1.00 0.00 N ATOM 441 CA GLY A 45 6.614 5.029 -5.520 1.00 0.00 C ATOM 442 C GLY A 45 5.093 4.904 -5.434 1.00 0.00 C ATOM 443 O GLY A 45 4.363 5.706 -5.982 1.00 0.00 O ATOM 0 H GLY A 45 6.894 2.914 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.022 5.302 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.885 5.824 -6.214 1.00 0.00 H new ATOM 447 N PHE A 46 4.607 3.907 -4.747 1.00 0.00 N ATOM 448 CA PHE A 46 3.115 3.745 -4.629 1.00 0.00 C ATOM 449 C PHE A 46 2.568 4.628 -3.510 1.00 0.00 C ATOM 450 O PHE A 46 1.472 4.420 -3.034 1.00 0.00 O ATOM 451 CB PHE A 46 2.858 2.279 -4.275 1.00 0.00 C ATOM 452 CG PHE A 46 3.688 1.388 -5.149 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.989 1.101 -4.771 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.162 0.851 -6.330 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.784 0.284 -5.560 1.00 0.00 C ATOM 456 CE2 PHE A 46 3.957 0.023 -7.130 1.00 0.00 C ATOM 457 CZ PHE A 46 5.273 -0.259 -6.745 1.00 0.00 C ATOM 0 H PHE A 46 5.164 3.201 -4.265 1.00 0.00 H new ATOM 0 HA PHE A 46 2.626 4.031 -5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.099 2.102 -3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.801 2.045 -4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.386 1.516 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.147 1.075 -6.622 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.798 0.066 -5.260 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.557 -0.397 -8.041 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.893 -0.894 -7.361 1.00 0.00 H new ATOM 467 N HIS A 47 3.322 5.594 -3.071 1.00 0.00 N ATOM 468 CA HIS A 47 2.835 6.471 -1.962 1.00 0.00 C ATOM 469 C HIS A 47 1.593 7.259 -2.389 1.00 0.00 C ATOM 470 O HIS A 47 1.618 8.468 -2.478 1.00 0.00 O ATOM 471 CB HIS A 47 3.998 7.419 -1.660 1.00 0.00 C ATOM 472 CG HIS A 47 4.388 8.162 -2.909 1.00 0.00 C ATOM 473 ND1 HIS A 47 3.716 7.996 -4.109 1.00 0.00 N ATOM 474 CD2 HIS A 47 5.376 9.081 -3.157 1.00 0.00 C ATOM 475 CE1 HIS A 47 4.301 8.799 -5.016 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.320 9.483 -4.488 1.00 0.00 N ATOM 0 H HIS A 47 4.251 5.817 -3.427 1.00 0.00 H new ATOM 0 HA HIS A 47 2.543 5.889 -1.088 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.711 8.125 -0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.850 6.855 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.089 9.438 -2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.985 8.881 -6.046 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.926 10.155 -4.959 1.00 0.00 H new ATOM 484 N THR A 48 0.503 6.575 -2.638 1.00 0.00 N ATOM 485 CA THR A 48 -0.760 7.263 -3.044 1.00 0.00 C ATOM 486 C THR A 48 -1.748 6.259 -3.637 1.00 0.00 C ATOM 487 O THR A 48 -1.493 5.071 -3.673 1.00 0.00 O ATOM 488 CB THR A 48 -0.366 8.298 -4.103 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.524 8.686 -4.828 1.00 0.00 O ATOM 490 CG2 THR A 48 0.661 7.702 -5.067 1.00 0.00 C ATOM 0 H THR A 48 0.435 5.559 -2.576 1.00 0.00 H new ATOM 0 HA THR A 48 -1.244 7.732 -2.187 1.00 0.00 H new ATOM 0 HB THR A 48 0.073 9.166 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.278 9.350 -5.506 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.933 8.447 -5.815 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.550 7.403 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.232 6.831 -5.562 1.00 0.00 H new ATOM 498 N VAL A 49 -2.875 6.740 -4.097 1.00 0.00 N ATOM 499 CA VAL A 49 -3.911 5.843 -4.701 1.00 0.00 C ATOM 500 C VAL A 49 -3.258 4.684 -5.462 1.00 0.00 C ATOM 501 O VAL A 49 -3.821 3.614 -5.579 1.00 0.00 O ATOM 502 CB VAL A 49 -4.698 6.734 -5.664 1.00 0.00 C ATOM 503 CG1 VAL A 49 -3.726 7.570 -6.499 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.541 5.854 -6.591 1.00 0.00 C ATOM 0 H VAL A 49 -3.126 7.729 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.548 5.394 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.350 7.398 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.288 8.204 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.123 8.194 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.074 6.908 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.104 6.485 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.887 5.192 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.233 5.258 -5.997 1.00 0.00 H new ATOM 514 N GLU A 50 -2.075 4.884 -5.974 1.00 0.00 N ATOM 515 CA GLU A 50 -1.384 3.795 -6.720 1.00 0.00 C ATOM 516 C GLU A 50 -1.491 2.455 -5.978 1.00 0.00 C ATOM 517 O GLU A 50 -1.293 1.411 -6.566 1.00 0.00 O ATOM 518 CB GLU A 50 0.074 4.243 -6.808 1.00 0.00 C ATOM 519 CG GLU A 50 0.247 5.174 -8.010 1.00 0.00 C ATOM 520 CD GLU A 50 1.735 5.450 -8.234 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.396 5.830 -7.282 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.187 5.275 -9.353 1.00 0.00 O ATOM 0 H GLU A 50 -1.555 5.759 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.830 3.635 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.364 4.756 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.727 3.376 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.187 4.719 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.285 6.110 -7.838 1.00 0.00 H new ATOM 529 N ALA A 51 -1.797 2.469 -4.700 1.00 0.00 N ATOM 530 CA ALA A 51 -1.915 1.186 -3.942 1.00 0.00 C ATOM 531 C ALA A 51 -2.547 0.105 -4.822 1.00 0.00 C ATOM 532 O ALA A 51 -2.271 -1.070 -4.678 1.00 0.00 O ATOM 533 CB ALA A 51 -2.827 1.512 -2.759 1.00 0.00 C ATOM 0 H ALA A 51 -1.969 3.313 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.945 0.805 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.965 0.619 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.372 2.297 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.794 1.853 -3.128 1.00 0.00 H new ATOM 539 N VAL A 52 -3.387 0.499 -5.740 1.00 0.00 N ATOM 540 CA VAL A 52 -4.034 -0.494 -6.643 1.00 0.00 C ATOM 541 C VAL A 52 -4.267 0.133 -8.022 1.00 0.00 C ATOM 542 O VAL A 52 -4.001 1.299 -8.235 1.00 0.00 O ATOM 543 CB VAL A 52 -5.361 -0.836 -5.970 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.324 0.343 -6.110 1.00 0.00 C ATOM 545 CG2 VAL A 52 -5.966 -2.072 -6.638 1.00 0.00 C ATOM 0 H VAL A 52 -3.654 1.470 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.422 -1.382 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.191 -1.040 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.271 0.098 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.893 1.224 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.496 0.549 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.914 -2.318 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.136 -1.868 -7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.280 -2.913 -6.537 1.00 0.00 H new ATOM 555 N ALA A 53 -4.759 -0.630 -8.961 1.00 0.00 N ATOM 556 CA ALA A 53 -5.004 -0.074 -10.325 1.00 0.00 C ATOM 557 C ALA A 53 -3.674 0.207 -11.034 1.00 0.00 C ATOM 558 O ALA A 53 -3.474 1.261 -11.603 1.00 0.00 O ATOM 559 CB ALA A 53 -5.773 1.228 -10.099 1.00 0.00 C ATOM 0 H ALA A 53 -5.002 -1.614 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.559 -0.770 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.989 1.695 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.708 1.013 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.171 1.906 -9.494 1.00 0.00 H new ATOM 565 N TYR A 54 -2.765 -0.731 -11.008 1.00 0.00 N ATOM 566 CA TYR A 54 -1.454 -0.514 -11.687 1.00 0.00 C ATOM 567 C TYR A 54 -0.600 -1.787 -11.619 1.00 0.00 C ATOM 568 O TYR A 54 -0.376 -2.446 -12.615 1.00 0.00 O ATOM 569 CB TYR A 54 -0.786 0.628 -10.917 1.00 0.00 C ATOM 570 CG TYR A 54 0.165 1.362 -11.835 1.00 0.00 C ATOM 571 CD1 TYR A 54 0.816 0.672 -12.866 1.00 0.00 C ATOM 572 CD2 TYR A 54 0.399 2.731 -11.654 1.00 0.00 C ATOM 573 CE1 TYR A 54 1.697 1.349 -13.714 1.00 0.00 C ATOM 574 CE2 TYR A 54 1.282 3.408 -12.505 1.00 0.00 C ATOM 575 CZ TYR A 54 1.930 2.716 -13.535 1.00 0.00 C ATOM 576 OH TYR A 54 2.800 3.384 -14.373 1.00 0.00 O ATOM 0 H TYR A 54 -2.873 -1.635 -10.548 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.575 -0.273 -12.743 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.541 1.314 -10.534 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.247 0.234 -10.056 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.637 -0.384 -13.006 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.101 3.264 -10.859 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.198 0.816 -14.508 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.463 4.464 -12.366 1.00 0.00 H new ATOM 0 HH TYR A 54 2.847 4.327 -14.112 1.00 0.00 H new ATOM 586 N ALA A 55 -0.121 -2.138 -10.455 1.00 0.00 N ATOM 587 CA ALA A 55 0.719 -3.367 -10.336 1.00 0.00 C ATOM 588 C ALA A 55 0.147 -4.300 -9.265 1.00 0.00 C ATOM 589 O ALA A 55 -0.526 -3.860 -8.354 1.00 0.00 O ATOM 590 CB ALA A 55 2.102 -2.860 -9.923 1.00 0.00 C ATOM 0 H ALA A 55 -0.274 -1.629 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 55 0.752 -3.936 -11.265 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.782 -3.705 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.484 -2.183 -10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.027 -2.330 -8.973 1.00 0.00 H new ATOM 596 N PRO A 56 0.443 -5.566 -9.407 1.00 0.00 N ATOM 597 CA PRO A 56 -0.043 -6.575 -8.434 1.00 0.00 C ATOM 598 C PRO A 56 0.713 -6.429 -7.113 1.00 0.00 C ATOM 599 O PRO A 56 1.919 -6.565 -7.058 1.00 0.00 O ATOM 600 CB PRO A 56 0.271 -7.907 -9.108 1.00 0.00 C ATOM 601 CG PRO A 56 1.398 -7.608 -10.045 1.00 0.00 C ATOM 602 CD PRO A 56 1.249 -6.170 -10.474 1.00 0.00 C ATOM 0 HA PRO A 56 -1.101 -6.475 -8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.556 -8.663 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.596 -8.293 -9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.359 -7.766 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.368 -8.273 -10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.217 -5.679 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.754 -6.091 -11.442 1.00 0.00 H new ATOM 610 N LYS A 57 0.015 -6.139 -6.052 1.00 0.00 N ATOM 611 CA LYS A 57 0.693 -5.965 -4.738 1.00 0.00 C ATOM 612 C LYS A 57 1.767 -7.039 -4.534 1.00 0.00 C ATOM 613 O LYS A 57 2.778 -6.794 -3.913 1.00 0.00 O ATOM 614 CB LYS A 57 -0.415 -6.101 -3.691 1.00 0.00 C ATOM 615 CG LYS A 57 -1.309 -7.295 -4.035 1.00 0.00 C ATOM 616 CD LYS A 57 -1.943 -7.843 -2.754 1.00 0.00 C ATOM 617 CE LYS A 57 -3.243 -8.575 -3.100 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.310 -7.543 -2.978 1.00 0.00 N ATOM 0 H LYS A 57 -0.997 -6.015 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 57 1.201 -5.003 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.022 -6.235 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.009 -5.188 -3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.086 -6.991 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.723 -8.073 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.252 -8.523 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.146 -7.028 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.207 -8.988 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.420 -9.408 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.232 -7.969 -3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.325 -7.172 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.119 -6.766 -3.642 1.00 0.00 H new ATOM 632 N LYS A 58 1.560 -8.222 -5.049 1.00 0.00 N ATOM 633 CA LYS A 58 2.575 -9.302 -4.870 1.00 0.00 C ATOM 634 C LYS A 58 3.877 -8.948 -5.594 1.00 0.00 C ATOM 635 O LYS A 58 4.958 -9.303 -5.169 1.00 0.00 O ATOM 636 CB LYS A 58 1.940 -10.546 -5.494 1.00 0.00 C ATOM 637 CG LYS A 58 0.995 -11.197 -4.482 1.00 0.00 C ATOM 638 CD LYS A 58 0.139 -12.251 -5.187 1.00 0.00 C ATOM 639 CE LYS A 58 -1.136 -12.498 -4.377 1.00 0.00 C ATOM 640 NZ LYS A 58 -1.360 -13.968 -4.452 1.00 0.00 N ATOM 0 H LYS A 58 0.734 -8.487 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 58 2.832 -9.450 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.393 -10.274 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.715 -11.253 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.568 -11.658 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.357 -10.440 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.115 -11.915 -6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.701 -13.179 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.018 -12.169 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.981 -11.948 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.218 -14.216 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.476 -14.251 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.543 -14.465 -4.043 1.00 0.00 H new ATOM 654 N GLU A 59 3.784 -8.244 -6.680 1.00 0.00 N ATOM 655 CA GLU A 59 5.020 -7.867 -7.425 1.00 0.00 C ATOM 656 C GLU A 59 5.686 -6.688 -6.739 1.00 0.00 C ATOM 657 O GLU A 59 6.840 -6.744 -6.372 1.00 0.00 O ATOM 658 CB GLU A 59 4.548 -7.493 -8.832 1.00 0.00 C ATOM 659 CG GLU A 59 5.704 -6.857 -9.608 1.00 0.00 C ATOM 660 CD GLU A 59 6.209 -7.839 -10.667 1.00 0.00 C ATOM 661 OE1 GLU A 59 6.663 -8.905 -10.289 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.132 -7.507 -11.839 1.00 0.00 O ATOM 0 H GLU A 59 2.910 -7.911 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 59 5.753 -8.673 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.190 -8.380 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.710 -6.798 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.373 -5.933 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.512 -6.594 -8.926 1.00 0.00 H new ATOM 669 N LEU A 60 4.971 -5.625 -6.539 1.00 0.00 N ATOM 670 CA LEU A 60 5.582 -4.468 -5.851 1.00 0.00 C ATOM 671 C LEU A 60 6.240 -4.964 -4.553 1.00 0.00 C ATOM 672 O LEU A 60 7.429 -4.815 -4.351 1.00 0.00 O ATOM 673 CB LEU A 60 4.401 -3.509 -5.592 1.00 0.00 C ATOM 674 CG LEU A 60 4.393 -3.007 -4.145 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.759 -2.407 -3.802 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.318 -1.933 -3.992 1.00 0.00 C ATOM 0 H LEU A 60 3.997 -5.508 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 60 6.363 -3.964 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.464 -2.660 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.462 -4.020 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 60 4.183 -3.839 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.751 -2.050 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.530 -3.169 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.969 -1.574 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.308 -1.572 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.534 -1.104 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.344 -2.356 -4.238 1.00 0.00 H new ATOM 688 N ILE A 61 5.469 -5.543 -3.673 1.00 0.00 N ATOM 689 CA ILE A 61 6.040 -6.039 -2.388 1.00 0.00 C ATOM 690 C ILE A 61 7.288 -6.860 -2.658 1.00 0.00 C ATOM 691 O ILE A 61 8.194 -6.917 -1.850 1.00 0.00 O ATOM 692 CB ILE A 61 4.953 -6.913 -1.795 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.648 -8.052 -2.776 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.710 -6.053 -1.563 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.690 -9.165 -2.603 1.00 0.00 C ATOM 0 H ILE A 61 4.467 -5.694 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 61 6.327 -5.228 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 61 5.271 -7.342 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.647 -8.444 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.664 -7.679 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.917 -6.667 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.951 -5.243 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.374 -5.635 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.475 -9.976 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.684 -8.767 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.651 -9.544 -1.582 1.00 0.00 H new ATOM 707 N ASN A 62 7.357 -7.492 -3.798 1.00 0.00 N ATOM 708 CA ASN A 62 8.563 -8.292 -4.110 1.00 0.00 C ATOM 709 C ASN A 62 9.811 -7.431 -3.891 1.00 0.00 C ATOM 710 O ASN A 62 10.915 -7.937 -3.836 1.00 0.00 O ATOM 711 CB ASN A 62 8.405 -8.718 -5.581 1.00 0.00 C ATOM 712 CG ASN A 62 9.188 -7.781 -6.512 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.161 -6.578 -6.347 1.00 0.00 O ATOM 714 ND2 ASN A 62 9.891 -8.290 -7.487 1.00 0.00 N ATOM 0 H ASN A 62 6.634 -7.486 -4.518 1.00 0.00 H new ATOM 0 HA ASN A 62 8.672 -9.168 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.759 -9.741 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.350 -8.710 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.417 -7.677 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.914 -9.300 -7.626 1.00 0.00 H new ATOM 721 N ILE A 63 9.653 -6.132 -3.758 1.00 0.00 N ATOM 722 CA ILE A 63 10.854 -5.283 -3.535 1.00 0.00 C ATOM 723 C ILE A 63 11.747 -5.935 -2.486 1.00 0.00 C ATOM 724 O ILE A 63 12.678 -6.650 -2.800 1.00 0.00 O ATOM 725 CB ILE A 63 10.301 -3.936 -3.058 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.993 -3.080 -4.282 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.334 -3.217 -2.186 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.918 -2.055 -3.929 1.00 0.00 C ATOM 0 H ILE A 63 8.761 -5.638 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 63 11.466 -5.157 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 63 9.399 -4.100 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.896 -2.573 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.654 -3.710 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.928 -2.261 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.569 -3.833 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.241 -3.044 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.698 -1.443 -4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.013 -2.572 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.275 -1.417 -3.120 1.00 0.00 H new ATOM 740 N LYS A 64 11.455 -5.710 -1.250 1.00 0.00 N ATOM 741 CA LYS A 64 12.268 -6.331 -0.168 1.00 0.00 C ATOM 742 C LYS A 64 11.991 -7.838 -0.122 1.00 0.00 C ATOM 743 O LYS A 64 12.622 -8.574 0.610 1.00 0.00 O ATOM 744 CB LYS A 64 11.805 -5.655 1.122 1.00 0.00 C ATOM 745 CG LYS A 64 12.992 -4.945 1.780 1.00 0.00 C ATOM 746 CD LYS A 64 14.064 -5.972 2.144 1.00 0.00 C ATOM 747 CE LYS A 64 15.302 -5.752 1.271 1.00 0.00 C ATOM 748 NZ LYS A 64 16.388 -5.394 2.227 1.00 0.00 N ATOM 0 H LYS A 64 10.686 -5.121 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 64 13.339 -6.202 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.013 -4.938 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.387 -6.396 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.404 -4.198 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.662 -4.416 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.328 -5.879 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.679 -6.981 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.552 -6.651 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.137 -4.956 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.271 -5.228 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.125 -4.531 2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.527 -6.173 2.902 1.00 0.00 H new ATOM 762 N GLY A 65 11.052 -8.300 -0.907 1.00 0.00 N ATOM 763 CA GLY A 65 10.734 -9.755 -0.919 1.00 0.00 C ATOM 764 C GLY A 65 9.535 -10.032 -0.010 1.00 0.00 C ATOM 765 O GLY A 65 9.377 -11.122 0.503 1.00 0.00 O ATOM 0 H GLY A 65 10.492 -7.729 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.514 -10.080 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.598 -10.328 -0.582 1.00 0.00 H new ATOM 769 N ILE A 66 8.692 -9.056 0.203 1.00 0.00 N ATOM 770 CA ILE A 66 7.517 -9.279 1.089 1.00 0.00 C ATOM 771 C ILE A 66 6.309 -9.782 0.289 1.00 0.00 C ATOM 772 O ILE A 66 6.431 -10.590 -0.611 1.00 0.00 O ATOM 773 CB ILE A 66 7.177 -7.923 1.716 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.411 -7.004 1.772 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.643 -8.188 3.123 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.327 -6.064 2.979 1.00 0.00 C ATOM 0 H ILE A 66 8.767 -8.120 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 66 7.751 -10.031 1.842 1.00 0.00 H new ATOM 0 HB ILE A 66 6.430 -7.412 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.317 -7.606 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.479 -6.421 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.390 -7.241 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.752 -8.813 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.405 -8.699 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.208 -5.422 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.431 -5.448 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.282 -6.652 3.896 1.00 0.00 H new ATOM 788 N SER A 67 5.140 -9.300 0.630 1.00 0.00 N ATOM 789 CA SER A 67 3.890 -9.716 -0.074 1.00 0.00 C ATOM 790 C SER A 67 2.714 -9.000 0.581 1.00 0.00 C ATOM 791 O SER A 67 2.792 -7.826 0.893 1.00 0.00 O ATOM 792 CB SER A 67 3.788 -11.228 0.135 1.00 0.00 C ATOM 793 OG SER A 67 3.537 -11.497 1.508 1.00 0.00 O ATOM 0 H SER A 67 4.998 -8.624 1.380 1.00 0.00 H new ATOM 0 HA SER A 67 3.891 -9.470 -1.136 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.987 -11.638 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.712 -11.713 -0.179 1.00 0.00 H new ATOM 0 HG SER A 67 3.469 -12.465 1.645 1.00 0.00 H new ATOM 799 N GLU A 68 1.636 -9.686 0.829 1.00 0.00 N ATOM 800 CA GLU A 68 0.496 -9.013 1.499 1.00 0.00 C ATOM 801 C GLU A 68 1.008 -8.378 2.796 1.00 0.00 C ATOM 802 O GLU A 68 0.404 -7.479 3.345 1.00 0.00 O ATOM 803 CB GLU A 68 -0.511 -10.126 1.793 1.00 0.00 C ATOM 804 CG GLU A 68 -1.289 -10.460 0.517 1.00 0.00 C ATOM 805 CD GLU A 68 -0.730 -11.741 -0.103 1.00 0.00 C ATOM 806 OE1 GLU A 68 -0.949 -12.798 0.468 1.00 0.00 O ATOM 807 OE2 GLU A 68 -0.093 -11.645 -1.140 1.00 0.00 O ATOM 0 H GLU A 68 1.497 -10.670 0.600 1.00 0.00 H new ATOM 0 HA GLU A 68 0.041 -8.227 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.007 -11.013 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.198 -9.812 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.347 -10.587 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.213 -9.637 -0.193 1.00 0.00 H new ATOM 814 N ALA A 69 2.129 -8.846 3.282 1.00 0.00 N ATOM 815 CA ALA A 69 2.699 -8.281 4.537 1.00 0.00 C ATOM 816 C ALA A 69 2.638 -6.754 4.513 1.00 0.00 C ATOM 817 O ALA A 69 1.782 -6.149 5.125 1.00 0.00 O ATOM 818 CB ALA A 69 4.151 -8.759 4.555 1.00 0.00 C ATOM 0 H ALA A 69 2.674 -9.598 2.860 1.00 0.00 H new ATOM 0 HA ALA A 69 2.148 -8.602 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.646 -8.385 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.175 -9.849 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.668 -8.384 3.672 1.00 0.00 H new ATOM 824 N LYS A 70 3.542 -6.123 3.815 1.00 0.00 N ATOM 825 CA LYS A 70 3.525 -4.636 3.767 1.00 0.00 C ATOM 826 C LYS A 70 2.357 -4.134 2.909 1.00 0.00 C ATOM 827 O LYS A 70 1.605 -3.277 3.324 1.00 0.00 O ATOM 828 CB LYS A 70 4.875 -4.218 3.162 1.00 0.00 C ATOM 829 CG LYS A 70 5.190 -5.032 1.900 1.00 0.00 C ATOM 830 CD LYS A 70 5.215 -4.103 0.685 1.00 0.00 C ATOM 831 CE LYS A 70 6.538 -3.332 0.662 1.00 0.00 C ATOM 832 NZ LYS A 70 7.491 -4.223 -0.058 1.00 0.00 N ATOM 0 H LYS A 70 4.286 -6.570 3.280 1.00 0.00 H new ATOM 0 HA LYS A 70 3.387 -4.205 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.854 -3.156 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.667 -4.361 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.152 -5.532 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.440 -5.811 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.103 -4.682 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.377 -3.408 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.429 -2.376 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.886 -3.115 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.384 -4.278 0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.080 -5.174 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.676 -3.839 -1.007 1.00 0.00 H new ATOM 846 N ALA A 71 2.202 -4.645 1.719 1.00 0.00 N ATOM 847 CA ALA A 71 1.085 -4.170 0.844 1.00 0.00 C ATOM 848 C ALA A 71 -0.250 -4.147 1.600 1.00 0.00 C ATOM 849 O ALA A 71 -0.735 -3.104 1.998 1.00 0.00 O ATOM 850 CB ALA A 71 1.021 -5.182 -0.296 1.00 0.00 C ATOM 0 H ALA A 71 2.796 -5.368 1.313 1.00 0.00 H new ATOM 0 HA ALA A 71 1.259 -3.152 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.223 -4.904 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.973 -5.192 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.821 -6.174 0.109 1.00 0.00 H new ATOM 856 N ASP A 72 -0.858 -5.287 1.779 1.00 0.00 N ATOM 857 CA ASP A 72 -2.173 -5.331 2.486 1.00 0.00 C ATOM 858 C ASP A 72 -2.140 -4.451 3.735 1.00 0.00 C ATOM 859 O ASP A 72 -3.034 -3.661 3.970 1.00 0.00 O ATOM 860 CB ASP A 72 -2.386 -6.795 2.869 1.00 0.00 C ATOM 861 CG ASP A 72 -2.324 -7.671 1.617 1.00 0.00 C ATOM 862 OD1 ASP A 72 -1.757 -7.226 0.631 1.00 0.00 O ATOM 863 OD2 ASP A 72 -2.846 -8.772 1.663 1.00 0.00 O ATOM 0 H ASP A 72 -0.503 -6.191 1.467 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.981 -4.957 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.624 -7.109 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.351 -6.915 3.361 1.00 0.00 H new ATOM 868 N LYS A 73 -1.121 -4.577 4.540 1.00 0.00 N ATOM 869 CA LYS A 73 -1.046 -3.740 5.769 1.00 0.00 C ATOM 870 C LYS A 73 -1.435 -2.299 5.436 1.00 0.00 C ATOM 871 O LYS A 73 -1.993 -1.589 6.253 1.00 0.00 O ATOM 872 CB LYS A 73 0.411 -3.815 6.217 1.00 0.00 C ATOM 873 CG LYS A 73 0.571 -3.074 7.542 1.00 0.00 C ATOM 874 CD LYS A 73 0.118 -3.982 8.687 1.00 0.00 C ATOM 875 CE LYS A 73 -0.708 -3.171 9.685 1.00 0.00 C ATOM 876 NZ LYS A 73 -0.226 -3.609 11.023 1.00 0.00 N ATOM 0 H LYS A 73 -0.341 -5.220 4.401 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.723 -4.085 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.715 -4.855 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.059 -3.374 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.611 -2.781 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.020 -2.158 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.474 -4.810 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.985 -4.417 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.561 -2.100 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.774 -3.365 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.746 -3.097 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.385 -4.631 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.790 -3.406 11.109 1.00 0.00 H new ATOM 890 N ILE A 74 -1.158 -1.865 4.236 1.00 0.00 N ATOM 891 CA ILE A 74 -1.524 -0.476 3.847 1.00 0.00 C ATOM 892 C ILE A 74 -3.030 -0.412 3.568 1.00 0.00 C ATOM 893 O ILE A 74 -3.703 0.533 3.931 1.00 0.00 O ATOM 894 CB ILE A 74 -0.682 -0.172 2.589 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.128 1.249 2.689 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.528 -0.295 1.313 1.00 0.00 C ATOM 897 CD1 ILE A 74 -1.271 2.223 2.979 1.00 0.00 C ATOM 0 H ILE A 74 -0.695 -2.412 3.511 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.322 0.260 4.626 1.00 0.00 H new ATOM 0 HB ILE A 74 0.131 -0.896 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.620 1.304 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.370 1.523 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.909 -0.075 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.920 -1.309 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.357 0.412 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.876 3.236 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.003 2.175 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.749 1.953 3.920 1.00 0.00 H new ATOM 909 N LEU A 75 -3.566 -1.423 2.937 1.00 0.00 N ATOM 910 CA LEU A 75 -5.028 -1.431 2.650 1.00 0.00 C ATOM 911 C LEU A 75 -5.807 -1.485 3.965 1.00 0.00 C ATOM 912 O LEU A 75 -6.987 -1.196 4.015 1.00 0.00 O ATOM 913 CB LEU A 75 -5.269 -2.704 1.836 1.00 0.00 C ATOM 914 CG LEU A 75 -4.881 -2.463 0.375 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.187 -3.708 -0.182 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.139 -2.173 -0.447 1.00 0.00 C ATOM 0 H LEU A 75 -3.054 -2.242 2.609 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.353 -0.540 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.683 -3.526 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.317 -2.996 1.901 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.203 -1.611 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.911 -3.536 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.290 -3.917 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.865 -4.560 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.862 -2.001 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.817 -3.025 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.635 -1.286 -0.052 1.00 0.00 H new ATOM 928 N ALA A 76 -5.152 -1.855 5.031 1.00 0.00 N ATOM 929 CA ALA A 76 -5.843 -1.932 6.348 1.00 0.00 C ATOM 930 C ALA A 76 -5.979 -0.534 6.955 1.00 0.00 C ATOM 931 O ALA A 76 -7.054 -0.110 7.328 1.00 0.00 O ATOM 932 CB ALA A 76 -4.938 -2.806 7.217 1.00 0.00 C ATOM 0 H ALA A 76 -4.164 -2.108 5.046 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.850 -2.342 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.378 -2.912 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.833 -3.790 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.957 -2.340 7.304 1.00 0.00 H new ATOM 938 N GLU A 77 -4.896 0.185 7.060 1.00 0.00 N ATOM 939 CA GLU A 77 -4.970 1.556 7.645 1.00 0.00 C ATOM 940 C GLU A 77 -5.721 2.495 6.697 1.00 0.00 C ATOM 941 O GLU A 77 -6.471 3.349 7.122 1.00 0.00 O ATOM 942 CB GLU A 77 -3.514 2.000 7.805 1.00 0.00 C ATOM 943 CG GLU A 77 -2.852 1.184 8.918 1.00 0.00 C ATOM 944 CD GLU A 77 -2.402 2.119 10.043 1.00 0.00 C ATOM 945 OE1 GLU A 77 -2.103 3.264 9.752 1.00 0.00 O ATOM 946 OE2 GLU A 77 -2.366 1.672 11.178 1.00 0.00 O ATOM 0 H GLU A 77 -3.966 -0.115 6.768 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.505 1.572 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.975 1.861 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.471 3.063 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.552 0.444 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.996 0.637 8.522 1.00 0.00 H new ATOM 953 N ALA A 78 -5.529 2.344 5.417 1.00 0.00 N ATOM 954 CA ALA A 78 -6.235 3.233 4.447 1.00 0.00 C ATOM 955 C ALA A 78 -7.748 3.002 4.510 1.00 0.00 C ATOM 956 O ALA A 78 -8.525 3.931 4.608 1.00 0.00 O ATOM 957 CB ALA A 78 -5.690 2.832 3.078 1.00 0.00 C ATOM 0 H ALA A 78 -4.915 1.645 4.999 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.070 4.289 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.161 3.441 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.611 2.988 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.909 1.780 2.893 1.00 0.00 H new ATOM 963 N ALA A 79 -8.173 1.772 4.450 1.00 0.00 N ATOM 964 CA ALA A 79 -9.635 1.485 4.501 1.00 0.00 C ATOM 965 C ALA A 79 -10.204 1.812 5.885 1.00 0.00 C ATOM 966 O ALA A 79 -11.401 1.920 6.063 1.00 0.00 O ATOM 967 CB ALA A 79 -9.751 -0.013 4.219 1.00 0.00 C ATOM 0 H ALA A 79 -7.572 0.952 4.368 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.194 2.086 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.800 -0.307 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.331 -0.232 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.204 -0.570 4.980 1.00 0.00 H new ATOM 973 N LYS A 80 -9.359 1.956 6.872 1.00 0.00 N ATOM 974 CA LYS A 80 -9.866 2.256 8.244 1.00 0.00 C ATOM 975 C LYS A 80 -9.602 3.717 8.627 1.00 0.00 C ATOM 976 O LYS A 80 -10.324 4.297 9.414 1.00 0.00 O ATOM 977 CB LYS A 80 -9.089 1.313 9.160 1.00 0.00 C ATOM 978 CG LYS A 80 -10.025 0.756 10.233 1.00 0.00 C ATOM 979 CD LYS A 80 -9.309 0.766 11.584 1.00 0.00 C ATOM 980 CE LYS A 80 -10.212 1.413 12.635 1.00 0.00 C ATOM 981 NZ LYS A 80 -10.953 0.279 13.254 1.00 0.00 N ATOM 0 H LYS A 80 -8.345 1.879 6.789 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.944 2.114 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.659 0.497 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.259 1.844 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.934 1.356 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.327 -0.259 9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.058 -0.252 11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.371 1.316 11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.628 1.956 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.895 2.131 12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.595 0.643 13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.505 -0.215 12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.277 -0.384 13.684 1.00 0.00 H new ATOM 995 N LEU A 81 -8.575 4.318 8.089 1.00 0.00 N ATOM 996 CA LEU A 81 -8.282 5.739 8.444 1.00 0.00 C ATOM 997 C LEU A 81 -8.706 6.676 7.307 1.00 0.00 C ATOM 998 O LEU A 81 -9.232 7.746 7.542 1.00 0.00 O ATOM 999 CB LEU A 81 -6.768 5.794 8.657 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.467 6.409 10.027 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -5.481 5.521 10.790 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.855 7.800 9.842 1.00 0.00 C ATOM 0 H LEU A 81 -7.930 3.892 7.424 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.828 6.060 9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.345 4.791 8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.301 6.386 7.870 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.395 6.489 10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.271 5.964 11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.915 4.531 10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.554 5.435 10.223 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.641 8.236 10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.930 7.718 9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.557 8.438 9.305 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.484 6.291 6.080 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.883 7.175 4.945 1.00 0.00 C ATOM 1016 C VAL A 82 -9.789 6.418 3.967 1.00 0.00 C ATOM 1017 O VAL A 82 -9.473 6.278 2.802 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.569 7.584 4.275 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -7.006 6.411 3.471 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.825 8.767 3.339 1.00 0.00 C ATOM 0 H VAL A 82 -8.047 5.409 5.814 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.450 8.043 5.280 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.849 7.870 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.071 6.710 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.822 5.568 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.723 6.118 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.891 9.061 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.548 8.478 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.218 9.606 3.913 1.00 0.00 H new ATOM 1030 N PRO A 83 -10.897 5.959 4.483 1.00 0.00 N ATOM 1031 CA PRO A 83 -11.879 5.211 3.657 1.00 0.00 C ATOM 1032 C PRO A 83 -12.639 6.172 2.734 1.00 0.00 C ATOM 1033 O PRO A 83 -12.168 7.248 2.424 1.00 0.00 O ATOM 1034 CB PRO A 83 -12.815 4.593 4.693 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.710 5.479 5.893 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.334 6.092 5.877 1.00 0.00 C ATOM 0 HA PRO A 83 -11.420 4.466 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.839 4.551 4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.520 3.571 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.476 6.254 5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.866 4.907 6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.360 7.136 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.659 5.573 6.557 1.00 0.00 H new ATOM 1044 N MET A 84 -13.812 5.791 2.293 1.00 0.00 N ATOM 1045 CA MET A 84 -14.610 6.678 1.390 1.00 0.00 C ATOM 1046 C MET A 84 -13.983 6.727 -0.004 1.00 0.00 C ATOM 1047 O MET A 84 -12.798 6.522 -0.172 1.00 0.00 O ATOM 1048 CB MET A 84 -14.578 8.062 2.041 1.00 0.00 C ATOM 1049 CG MET A 84 -15.750 8.897 1.523 1.00 0.00 C ATOM 1050 SD MET A 84 -17.044 8.974 2.785 1.00 0.00 S ATOM 1051 CE MET A 84 -18.380 9.537 1.703 1.00 0.00 C ATOM 0 H MET A 84 -14.253 4.900 2.520 1.00 0.00 H new ATOM 0 HA MET A 84 -15.630 6.314 1.266 1.00 0.00 H new ATOM 0 HB2 MET A 84 -14.637 7.967 3.125 1.00 0.00 H new ATOM 0 HB3 MET A 84 -13.635 8.560 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 84 -15.411 9.902 1.273 1.00 0.00 H new ATOM 0 HG3 MET A 84 -16.146 8.458 0.608 1.00 0.00 H new ATOM 0 HE1 MET A 84 -19.294 9.654 2.285 1.00 0.00 H new ATOM 0 HE2 MET A 84 -18.108 10.494 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 84 -18.543 8.803 0.914 1.00 0.00 H new ATOM 1061 N GLY A 85 -14.775 6.996 -1.007 1.00 0.00 N ATOM 1062 CA GLY A 85 -14.234 7.059 -2.393 1.00 0.00 C ATOM 1063 C GLY A 85 -15.315 7.586 -3.339 1.00 0.00 C ATOM 1064 O GLY A 85 -14.967 7.999 -4.433 1.00 0.00 O ATOM 0 H GLY A 85 -15.776 7.175 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.360 7.709 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.907 6.070 -2.713 1.00 0.00 H new TER 1068 GLY A 85