USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.8!) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= -1.44 (180deg=-1.78) USER MOD Single : A 10 SER OG : rot 70:sc= 0.312 USER MOD Single : A 20 THR OG1 : rot 180:sc= -3.15! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.0053) USER MOD Single : A 37 SER OG : rot 132:sc= 1.28 USER MOD Single : A 39 CYS SG : rot 91:sc= -0.672 USER MOD Single : A 42 GLN : amide:sc= -2.42! X(o=-2.4!,f=-2.6) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 27:sc= 0.0701 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.396! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -150:sc= -2.57! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 14.788 -7.912 -4.694 1.00 2.87 N ATOM 28 CA GLN A 3 13.619 -8.338 -3.932 1.00 2.29 C ATOM 29 C GLN A 3 12.734 -7.148 -3.586 1.00 1.97 C ATOM 30 O GLN A 3 13.227 -6.063 -3.276 1.00 2.17 O ATOM 31 CB GLN A 3 14.040 -9.048 -2.644 1.00 2.41 C ATOM 32 CG GLN A 3 15.354 -9.811 -2.749 1.00 3.17 C ATOM 33 CD GLN A 3 16.013 -10.023 -1.400 1.00 3.60 C ATOM 34 OE1 GLN A 3 16.793 -9.189 -0.939 1.00 3.44 O ATOM 35 NE2 GLN A 3 15.703 -11.144 -0.759 1.00 4.47 N ATOM 0 HA GLN A 3 13.055 -9.032 -4.555 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.125 -8.309 -1.847 1.00 2.41 H new ATOM 0 HB3 GLN A 3 13.252 -9.743 -2.352 1.00 2.41 H new ATOM 0 HG2 GLN A 3 15.172 -10.779 -3.217 1.00 3.17 H new ATOM 0 HG3 GLN A 3 16.036 -9.265 -3.401 1.00 3.17 H new ATOM 0 HE21 GLN A 3 15.052 -11.808 -1.178 1.00 4.47 H new ATOM 0 HE22 GLN A 3 16.116 -11.341 0.152 1.00 4.47 H new ATOM 44 N VAL A 4 11.423 -7.357 -3.633 1.00 1.57 N ATOM 45 CA VAL A 4 10.474 -6.298 -3.315 1.00 1.29 C ATOM 46 C VAL A 4 9.288 -6.831 -2.519 1.00 1.28 C ATOM 47 O VAL A 4 8.836 -7.955 -2.735 1.00 1.44 O ATOM 48 CB VAL A 4 9.945 -5.590 -4.584 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.092 -5.090 -5.442 1.00 1.39 C ATOM 50 CG2 VAL A 4 9.036 -6.510 -5.386 1.00 1.57 C ATOM 0 H VAL A 4 10.995 -8.247 -3.887 1.00 1.57 H new ATOM 0 HA VAL A 4 11.022 -5.575 -2.711 1.00 1.29 H new ATOM 0 HB VAL A 4 9.357 -4.730 -4.265 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.695 -4.596 -6.329 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.692 -4.382 -4.870 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.714 -5.932 -5.744 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.679 -5.986 -6.273 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.592 -7.397 -5.688 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.185 -6.806 -4.772 1.00 1.57 H new ATOM 60 N VAL A 5 8.773 -6.001 -1.622 1.00 1.14 N ATOM 61 CA VAL A 5 7.620 -6.363 -0.814 1.00 1.22 C ATOM 62 C VAL A 5 6.370 -5.772 -1.449 1.00 1.03 C ATOM 63 O VAL A 5 6.329 -4.582 -1.761 1.00 0.92 O ATOM 64 CB VAL A 5 7.752 -5.845 0.632 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.776 -6.665 1.402 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.125 -4.369 0.644 1.00 1.70 C ATOM 0 H VAL A 5 9.139 -5.067 -1.436 1.00 1.14 H new ATOM 0 HA VAL A 5 7.556 -7.450 -0.775 1.00 1.22 H new ATOM 0 HB VAL A 5 6.786 -5.955 1.124 1.00 1.29 H new ATOM 0 HG11 VAL A 5 8.855 -6.285 2.420 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.462 -7.708 1.428 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.746 -6.591 0.910 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.213 -4.024 1.674 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.077 -4.230 0.132 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.352 -3.794 0.134 1.00 1.70 H new ATOM 76 N GLN A 6 5.366 -6.606 -1.679 1.00 1.03 N ATOM 77 CA GLN A 6 4.148 -6.142 -2.321 1.00 0.85 C ATOM 78 C GLN A 6 3.044 -5.853 -1.317 1.00 0.83 C ATOM 79 O GLN A 6 2.791 -6.637 -0.403 1.00 0.94 O ATOM 80 CB GLN A 6 3.664 -7.164 -3.345 1.00 0.83 C ATOM 81 CG GLN A 6 3.978 -6.773 -4.777 1.00 1.45 C ATOM 82 CD GLN A 6 4.827 -7.809 -5.487 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.510 -8.234 -6.597 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.911 -8.229 -4.842 1.00 2.01 N ATOM 0 H GLN A 6 5.371 -7.596 -1.433 1.00 1.03 H new ATOM 0 HA GLN A 6 4.388 -5.206 -2.826 1.00 0.85 H new ATOM 0 HB2 GLN A 6 4.123 -8.129 -3.130 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.587 -7.293 -3.239 1.00 0.83 H new ATOM 0 HG2 GLN A 6 3.046 -6.634 -5.325 1.00 1.45 H new ATOM 0 HG3 GLN A 6 4.498 -5.815 -4.783 1.00 1.45 H new ATOM 0 HE21 GLN A 6 6.136 -7.849 -3.923 1.00 2.01 H new ATOM 0 HE22 GLN A 6 6.517 -8.931 -5.267 1.00 2.01 H new ATOM 93 N PHE A 7 2.383 -4.717 -1.511 1.00 0.74 N ATOM 94 CA PHE A 7 1.296 -4.305 -0.647 1.00 0.78 C ATOM 95 C PHE A 7 -0.046 -4.609 -1.310 1.00 0.62 C ATOM 96 O PHE A 7 -0.256 -4.301 -2.491 1.00 0.55 O ATOM 97 CB PHE A 7 1.422 -2.809 -0.324 1.00 0.86 C ATOM 98 CG PHE A 7 0.159 -2.186 0.199 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.461 -2.692 1.329 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.412 -1.107 -0.450 1.00 0.98 C ATOM 101 CE1 PHE A 7 -1.629 -2.129 1.803 1.00 1.29 C ATOM 102 CE2 PHE A 7 -1.580 -0.540 0.017 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.190 -1.051 1.145 1.00 1.29 C ATOM 0 H PHE A 7 2.588 -4.064 -2.267 1.00 0.74 H new ATOM 0 HA PHE A 7 1.348 -4.864 0.287 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.214 -2.673 0.413 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.730 -2.278 -1.225 1.00 0.86 H new ATOM 0 HD1 PHE A 7 -0.026 -3.536 1.845 1.00 1.14 H new ATOM 0 HD2 PHE A 7 0.062 -0.703 -1.333 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -2.103 -2.530 2.686 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -2.016 0.302 -0.499 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.104 -0.609 1.513 1.00 1.29 H new ATOM 113 N LYS A 8 -0.941 -5.214 -0.534 1.00 0.60 N ATOM 114 CA LYS A 8 -2.270 -5.573 -1.011 1.00 0.54 C ATOM 115 C LYS A 8 -3.339 -4.991 -0.096 1.00 0.68 C ATOM 116 O LYS A 8 -3.151 -4.907 1.118 1.00 0.77 O ATOM 117 CB LYS A 8 -2.419 -7.096 -1.077 1.00 0.61 C ATOM 118 CG LYS A 8 -2.403 -7.771 0.285 1.00 1.40 C ATOM 119 CD LYS A 8 -1.008 -8.254 0.648 1.00 2.22 C ATOM 120 CE LYS A 8 -0.621 -9.488 -0.149 1.00 1.88 C ATOM 121 NZ LYS A 8 0.741 -9.366 -0.737 1.00 2.42 N ATOM 0 H LYS A 8 -0.765 -5.468 0.438 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.398 -5.160 -2.011 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.354 -7.339 -1.582 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.612 -7.505 -1.685 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.757 -7.072 1.043 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.093 -8.615 0.283 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -0.287 -7.458 0.462 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -0.966 -8.480 1.714 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -0.660 -10.364 0.498 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -1.347 -9.648 -0.946 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 0.933 -10.190 -1.342 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 0.797 -8.498 -1.307 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 1.446 -9.325 0.026 1.00 2.42 H new ATOM 135 N LEU A 9 -4.464 -4.591 -0.681 1.00 0.86 N ATOM 136 CA LEU A 9 -5.565 -4.020 0.090 1.00 1.06 C ATOM 137 C LEU A 9 -5.879 -4.890 1.304 1.00 1.74 C ATOM 138 O LEU A 9 -6.309 -6.036 1.167 1.00 2.24 O ATOM 139 CB LEU A 9 -6.803 -3.879 -0.803 1.00 1.28 C ATOM 140 CG LEU A 9 -8.032 -3.209 -0.168 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.650 -4.103 0.894 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.693 -1.848 0.413 1.00 1.96 C ATOM 0 H LEU A 9 -4.638 -4.651 -1.684 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.270 -3.033 0.448 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.522 -3.308 -1.688 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.094 -4.873 -1.143 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.764 -3.057 -0.962 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.518 -3.606 1.328 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.960 -5.045 0.441 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.916 -4.300 1.676 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.588 -1.407 0.852 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.929 -1.961 1.182 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.319 -1.198 -0.378 1.00 1.96 H new ATOM 154 N SER A 10 -5.657 -4.337 2.490 1.00 2.11 N ATOM 155 CA SER A 10 -5.912 -5.056 3.731 1.00 2.83 C ATOM 156 C SER A 10 -6.696 -4.181 4.700 1.00 2.93 C ATOM 157 O SER A 10 -6.121 -3.370 5.426 1.00 3.26 O ATOM 158 CB SER A 10 -4.594 -5.499 4.367 1.00 3.76 C ATOM 159 OG SER A 10 -3.967 -6.505 3.591 1.00 4.49 O ATOM 0 H SER A 10 -5.300 -3.390 2.618 1.00 2.11 H new ATOM 0 HA SER A 10 -6.506 -5.941 3.503 1.00 2.83 H new ATOM 0 HB2 SER A 10 -3.927 -4.642 4.465 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.780 -5.874 5.373 1.00 3.76 H new ATOM 0 HG SER A 10 -3.637 -6.115 2.754 1.00 4.49 H new ATOM 165 N ASP A 11 -8.014 -4.347 4.698 1.00 3.22 N ATOM 166 CA ASP A 11 -8.886 -3.568 5.570 1.00 3.68 C ATOM 167 C ASP A 11 -10.228 -4.266 5.763 1.00 3.44 C ATOM 168 O ASP A 11 -10.766 -4.304 6.870 1.00 4.01 O ATOM 169 CB ASP A 11 -9.112 -2.172 4.985 1.00 4.18 C ATOM 170 CG ASP A 11 -7.820 -1.398 4.811 1.00 4.90 C ATOM 171 OD1 ASP A 11 -7.180 -1.543 3.748 1.00 5.41 O ATOM 172 OD2 ASP A 11 -7.449 -0.646 5.737 1.00 5.24 O ATOM 0 H ASP A 11 -8.503 -5.015 4.102 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.397 -3.478 6.540 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -9.610 -2.263 4.020 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.782 -1.612 5.638 1.00 4.18 H new ATOM 177 N ILE A 12 -10.768 -4.811 4.678 1.00 2.82 N ATOM 178 CA ILE A 12 -12.052 -5.500 4.725 1.00 2.70 C ATOM 179 C ILE A 12 -11.894 -6.995 4.469 1.00 2.96 C ATOM 180 O ILE A 12 -10.798 -7.474 4.179 1.00 3.29 O ATOM 181 CB ILE A 12 -13.044 -4.919 3.698 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.320 -4.497 2.411 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.802 -3.749 4.304 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.590 -3.170 2.514 1.00 1.97 C ATOM 0 H ILE A 12 -10.336 -4.789 3.754 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.447 -5.348 5.729 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.761 -5.696 3.434 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.604 -5.273 2.139 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.047 -4.437 1.601 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.499 -3.347 3.569 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.354 -4.088 5.181 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.097 -2.972 4.598 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.106 -2.946 1.563 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.302 -2.380 2.753 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.837 -3.229 3.300 1.00 1.97 H new ATOM 196 N GLY A 13 -13.000 -7.726 4.580 1.00 3.15 N ATOM 197 CA GLY A 13 -12.970 -9.161 4.358 1.00 3.67 C ATOM 198 C GLY A 13 -12.872 -9.520 2.888 1.00 3.84 C ATOM 199 O GLY A 13 -13.111 -8.681 2.020 1.00 3.63 O ATOM 0 H GLY A 13 -13.917 -7.350 4.820 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.121 -9.590 4.891 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -13.870 -9.609 4.779 1.00 3.67 H new ATOM 203 N GLU A 14 -12.518 -10.771 2.609 1.00 4.49 N ATOM 204 CA GLU A 14 -12.386 -11.241 1.234 1.00 4.81 C ATOM 205 C GLU A 14 -13.740 -11.644 0.657 1.00 4.15 C ATOM 206 O GLU A 14 -14.054 -12.830 0.559 1.00 4.04 O ATOM 207 CB GLU A 14 -11.423 -12.429 1.169 1.00 5.76 C ATOM 208 CG GLU A 14 -10.011 -12.096 1.623 1.00 6.16 C ATOM 209 CD GLU A 14 -9.734 -12.549 3.044 1.00 7.04 C ATOM 210 OE1 GLU A 14 -10.359 -13.536 3.486 1.00 7.72 O ATOM 211 OE2 GLU A 14 -8.890 -11.916 3.713 1.00 7.20 O ATOM 0 H GLU A 14 -12.317 -11.477 3.317 1.00 4.49 H new ATOM 0 HA GLU A 14 -11.988 -10.420 0.638 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -11.814 -13.236 1.789 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -11.388 -12.801 0.145 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -9.296 -12.568 0.949 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -9.854 -11.020 1.551 1.00 6.16 H new ATOM 218 N GLY A 15 -14.539 -10.651 0.275 1.00 3.81 N ATOM 219 CA GLY A 15 -15.848 -10.931 -0.290 1.00 3.32 C ATOM 220 C GLY A 15 -16.830 -9.794 -0.080 1.00 2.93 C ATOM 221 O GLY A 15 -17.765 -9.619 -0.862 1.00 3.13 O ATOM 0 H GLY A 15 -14.305 -9.661 0.346 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -15.745 -11.124 -1.358 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -16.248 -11.839 0.161 1.00 3.32 H new ATOM 225 N ILE A 16 -16.619 -9.022 0.979 1.00 2.53 N ATOM 226 CA ILE A 16 -17.491 -7.899 1.294 1.00 2.22 C ATOM 227 C ILE A 16 -17.101 -6.656 0.496 1.00 1.91 C ATOM 228 O ILE A 16 -16.289 -6.728 -0.427 1.00 1.88 O ATOM 229 CB ILE A 16 -17.450 -7.572 2.801 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.087 -6.991 3.185 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.748 -8.819 3.621 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.169 -5.594 3.757 1.00 2.22 C ATOM 0 H ILE A 16 -15.849 -9.154 1.635 1.00 2.53 H new ATOM 0 HA ILE A 16 -18.504 -8.192 1.020 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.215 -6.826 3.015 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.613 -7.647 3.915 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.445 -6.978 2.304 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.716 -8.573 4.682 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.739 -9.194 3.366 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.003 -9.584 3.403 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.168 -5.244 4.007 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.614 -4.925 3.021 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.785 -5.605 4.656 1.00 2.22 H new ATOM 244 N ARG A 17 -17.681 -5.517 0.862 1.00 1.82 N ATOM 245 CA ARG A 17 -17.391 -4.259 0.184 1.00 1.64 C ATOM 246 C ARG A 17 -15.891 -3.978 0.183 1.00 1.22 C ATOM 247 O ARG A 17 -15.167 -4.406 1.080 1.00 1.14 O ATOM 248 CB ARG A 17 -18.136 -3.107 0.862 1.00 1.77 C ATOM 249 CG ARG A 17 -18.001 -1.781 0.130 1.00 2.27 C ATOM 250 CD ARG A 17 -19.105 -0.813 0.525 1.00 2.75 C ATOM 251 NE ARG A 17 -18.604 0.548 0.703 1.00 3.16 N ATOM 252 CZ ARG A 17 -18.271 1.346 -0.306 1.00 3.76 C ATOM 253 NH1 ARG A 17 -18.381 0.917 -1.555 1.00 4.04 N ATOM 254 NH2 ARG A 17 -17.830 2.574 -0.068 1.00 4.40 N ATOM 0 H ARG A 17 -18.354 -5.440 1.624 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.729 -4.343 -0.849 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -19.192 -3.364 0.939 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.761 -2.991 1.879 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -17.030 -1.338 0.353 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -18.034 -1.953 -0.946 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -19.881 -0.816 -0.241 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -19.570 -1.152 1.451 1.00 2.75 H new ATOM 0 HE ARG A 17 -18.504 0.905 1.653 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -18.721 -0.026 -1.742 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -18.125 1.530 -2.329 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -17.746 2.908 0.892 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -17.575 3.184 -0.845 1.00 4.40 H new ATOM 268 N GLU A 18 -15.433 -3.253 -0.830 1.00 1.16 N ATOM 269 CA GLU A 18 -14.021 -2.908 -0.950 1.00 0.91 C ATOM 270 C GLU A 18 -13.779 -1.480 -0.467 1.00 0.63 C ATOM 271 O GLU A 18 -14.728 -0.777 -0.118 1.00 0.66 O ATOM 272 CB GLU A 18 -13.560 -3.093 -2.391 1.00 1.29 C ATOM 273 CG GLU A 18 -13.561 -4.549 -2.829 1.00 1.64 C ATOM 274 CD GLU A 18 -14.254 -4.756 -4.162 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.125 -3.933 -4.512 1.00 2.17 O ATOM 276 OE2 GLU A 18 -13.926 -5.742 -4.854 1.00 2.11 O ATOM 0 H GLU A 18 -16.020 -2.892 -1.582 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.435 -3.575 -0.318 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.210 -2.519 -3.052 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.555 -2.686 -2.501 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.533 -4.904 -2.899 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -14.056 -5.153 -2.069 1.00 1.64 H new ATOM 283 N VAL A 19 -12.515 -1.053 -0.406 1.00 0.63 N ATOM 284 CA VAL A 19 -12.216 0.295 0.090 1.00 0.57 C ATOM 285 C VAL A 19 -11.388 1.130 -0.886 1.00 0.41 C ATOM 286 O VAL A 19 -10.620 0.599 -1.687 1.00 0.47 O ATOM 287 CB VAL A 19 -11.485 0.240 1.445 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.084 -0.327 1.279 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.436 1.620 2.082 1.00 1.16 C ATOM 0 H VAL A 19 -11.702 -1.602 -0.685 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.185 0.781 0.206 1.00 0.57 H new ATOM 0 HB VAL A 19 -12.042 -0.423 2.107 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.586 -0.357 2.248 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.146 -1.336 0.872 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.514 0.305 0.598 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.916 1.561 3.038 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.906 2.307 1.422 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.451 1.983 2.243 1.00 1.16 H new ATOM 299 N THR A 20 -11.548 2.452 -0.791 1.00 0.37 N ATOM 300 CA THR A 20 -10.820 3.386 -1.644 1.00 0.30 C ATOM 301 C THR A 20 -9.615 3.963 -0.919 1.00 0.33 C ATOM 302 O THR A 20 -9.545 3.940 0.310 1.00 0.65 O ATOM 303 CB THR A 20 -11.707 4.569 -2.092 1.00 0.43 C ATOM 304 OG1 THR A 20 -13.087 4.280 -1.853 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.489 4.884 -3.566 1.00 0.54 C ATOM 0 H THR A 20 -12.180 2.899 -0.127 1.00 0.37 H new ATOM 0 HA THR A 20 -10.503 2.815 -2.516 1.00 0.30 H new ATOM 0 HB THR A 20 -11.423 5.443 -1.506 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.635 5.040 -2.141 1.00 0.69 H new ATOM 0 HG21 THR A 20 -12.125 5.720 -3.857 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.444 5.148 -3.731 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.742 4.010 -4.166 1.00 0.54 H new ATOM 313 N VAL A 21 -8.682 4.503 -1.689 1.00 0.28 N ATOM 314 CA VAL A 21 -7.490 5.116 -1.118 1.00 0.25 C ATOM 315 C VAL A 21 -7.779 6.560 -0.720 1.00 0.29 C ATOM 316 O VAL A 21 -8.065 7.402 -1.570 1.00 0.33 O ATOM 317 CB VAL A 21 -6.307 5.094 -2.101 1.00 0.29 C ATOM 318 CG1 VAL A 21 -5.066 5.686 -1.453 1.00 1.39 C ATOM 319 CG2 VAL A 21 -6.041 3.677 -2.587 1.00 1.21 C ATOM 0 H VAL A 21 -8.726 4.530 -2.708 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.218 4.532 -0.239 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.565 5.706 -2.966 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.239 5.663 -2.162 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.265 6.717 -1.161 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.803 5.103 -0.570 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -5.201 3.682 -3.281 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.804 3.039 -1.736 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.927 3.293 -3.093 1.00 1.21 H new ATOM 329 N LYS A 22 -7.716 6.840 0.576 1.00 0.36 N ATOM 330 CA LYS A 22 -7.984 8.182 1.077 1.00 0.46 C ATOM 331 C LYS A 22 -6.765 9.085 0.921 1.00 0.52 C ATOM 332 O LYS A 22 -6.900 10.292 0.718 1.00 0.66 O ATOM 333 CB LYS A 22 -8.403 8.126 2.546 1.00 0.52 C ATOM 334 CG LYS A 22 -9.097 9.390 3.026 1.00 0.78 C ATOM 335 CD LYS A 22 -10.604 9.206 3.103 1.00 1.48 C ATOM 336 CE LYS A 22 -11.282 9.611 1.805 1.00 2.16 C ATOM 337 NZ LYS A 22 -12.684 10.061 2.028 1.00 2.95 N ATOM 0 H LYS A 22 -7.482 6.158 1.297 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.798 8.601 0.486 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -9.070 7.276 2.694 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.521 7.949 3.161 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -8.713 9.666 4.008 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.864 10.213 2.350 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.833 8.164 3.325 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -11.003 9.802 3.924 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -10.714 10.413 1.333 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.277 8.768 1.114 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -13.112 10.329 1.118 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -13.233 9.288 2.455 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -12.688 10.882 2.667 1.00 2.95 H new ATOM 351 N GLU A 23 -5.575 8.500 1.022 1.00 0.46 N ATOM 352 CA GLU A 23 -4.342 9.268 0.894 1.00 0.56 C ATOM 353 C GLU A 23 -3.270 8.495 0.127 1.00 0.42 C ATOM 354 O GLU A 23 -2.968 7.345 0.444 1.00 0.42 O ATOM 355 CB GLU A 23 -3.821 9.659 2.278 1.00 0.73 C ATOM 356 CG GLU A 23 -4.265 11.044 2.722 1.00 1.09 C ATOM 357 CD GLU A 23 -3.987 11.303 4.191 1.00 1.33 C ATOM 358 OE1 GLU A 23 -4.846 10.953 5.028 1.00 1.63 O ATOM 359 OE2 GLU A 23 -2.913 11.858 4.503 1.00 2.13 O ATOM 0 H GLU A 23 -5.439 7.503 1.191 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.570 10.169 0.325 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -4.163 8.925 3.007 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.732 9.619 2.272 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -3.753 11.796 2.121 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -5.332 11.157 2.533 1.00 1.09 H new ATOM 366 N TRP A 24 -2.690 9.147 -0.877 1.00 0.35 N ATOM 367 CA TRP A 24 -1.638 8.545 -1.692 1.00 0.26 C ATOM 368 C TRP A 24 -0.403 9.441 -1.686 1.00 0.24 C ATOM 369 O TRP A 24 -0.456 10.579 -2.152 1.00 0.33 O ATOM 370 CB TRP A 24 -2.131 8.344 -3.128 1.00 0.37 C ATOM 371 CG TRP A 24 -2.534 6.935 -3.434 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.740 6.527 -3.914 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.739 5.752 -3.288 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.749 5.165 -4.082 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.532 4.665 -3.703 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.436 5.504 -2.846 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.064 3.355 -3.695 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.025 4.201 -2.838 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.787 3.142 -3.259 1.00 0.70 C ATOM 0 H TRP A 24 -2.933 10.100 -1.147 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.378 7.574 -1.272 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.981 9.003 -3.307 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -1.344 8.646 -3.819 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.571 7.181 -4.132 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.534 4.615 -4.432 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.198 6.314 -2.517 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.688 2.536 -4.022 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.030 3.996 -2.501 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.396 2.135 -3.239 1.00 0.70 H new ATOM 390 N TYR A 25 0.703 8.939 -1.142 1.00 0.20 N ATOM 391 CA TYR A 25 1.930 9.731 -1.072 1.00 0.31 C ATOM 392 C TYR A 25 3.095 9.035 -1.767 1.00 0.27 C ATOM 393 O TYR A 25 4.226 9.072 -1.283 1.00 0.36 O ATOM 394 CB TYR A 25 2.291 10.019 0.386 1.00 0.42 C ATOM 395 CG TYR A 25 1.461 11.119 1.010 1.00 0.70 C ATOM 396 CD1 TYR A 25 1.470 12.405 0.484 1.00 1.16 C ATOM 397 CD2 TYR A 25 0.667 10.870 2.123 1.00 1.07 C ATOM 398 CE1 TYR A 25 0.712 13.412 1.050 1.00 1.44 C ATOM 399 CE2 TYR A 25 -0.094 11.872 2.694 1.00 1.34 C ATOM 400 CZ TYR A 25 -0.069 13.141 2.155 1.00 1.36 C ATOM 401 OH TYR A 25 -0.825 14.142 2.721 1.00 1.72 O ATOM 0 H TYR A 25 0.776 8.001 -0.748 1.00 0.20 H new ATOM 0 HA TYR A 25 1.743 10.670 -1.593 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.167 9.107 0.969 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.344 10.293 0.443 1.00 0.42 H new ATOM 0 HD1 TYR A 25 2.079 12.621 -0.381 1.00 1.16 H new ATOM 0 HD2 TYR A 25 0.644 9.878 2.548 1.00 1.07 H new ATOM 0 HE1 TYR A 25 0.731 14.407 0.630 1.00 1.44 H new ATOM 0 HE2 TYR A 25 -0.706 11.662 3.559 1.00 1.34 H new ATOM 0 HH TYR A 25 -1.317 13.785 3.490 1.00 1.72 H new ATOM 411 N VAL A 26 2.819 8.405 -2.903 1.00 0.22 N ATOM 412 CA VAL A 26 3.856 7.710 -3.656 1.00 0.22 C ATOM 413 C VAL A 26 3.460 7.556 -5.122 1.00 0.22 C ATOM 414 O VAL A 26 2.281 7.627 -5.468 1.00 0.31 O ATOM 415 CB VAL A 26 4.154 6.318 -3.058 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.490 6.429 -1.583 1.00 0.50 C ATOM 417 CG2 VAL A 26 2.977 5.377 -3.262 1.00 0.40 C ATOM 0 H VAL A 26 1.890 8.361 -3.321 1.00 0.22 H new ATOM 0 HA VAL A 26 4.757 8.319 -3.590 1.00 0.22 H new ATOM 0 HB VAL A 26 5.017 5.906 -3.580 1.00 0.28 H new ATOM 0 HG11 VAL A 26 4.697 5.437 -1.181 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.368 7.062 -1.457 1.00 0.50 H new ATOM 0 HG13 VAL A 26 3.647 6.868 -1.050 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.211 4.403 -2.832 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.094 5.787 -2.772 1.00 0.40 H new ATOM 0 HG23 VAL A 26 2.781 5.265 -4.328 1.00 0.40 H new ATOM 427 N LYS A 27 4.454 7.346 -5.979 1.00 0.24 N ATOM 428 CA LYS A 27 4.211 7.182 -7.407 1.00 0.26 C ATOM 429 C LYS A 27 5.088 6.073 -7.982 1.00 0.29 C ATOM 430 O LYS A 27 6.128 5.736 -7.418 1.00 0.42 O ATOM 431 CB LYS A 27 4.479 8.494 -8.148 1.00 0.38 C ATOM 432 CG LYS A 27 3.741 9.687 -7.562 1.00 0.61 C ATOM 433 CD LYS A 27 3.009 10.473 -8.638 1.00 0.99 C ATOM 434 CE LYS A 27 1.637 9.885 -8.923 1.00 1.52 C ATOM 435 NZ LYS A 27 0.952 10.587 -10.043 1.00 1.89 N ATOM 0 H LYS A 27 5.436 7.285 -5.709 1.00 0.24 H new ATOM 0 HA LYS A 27 3.166 6.905 -7.542 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.550 8.697 -8.134 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.191 8.377 -9.193 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.028 9.343 -6.813 1.00 0.61 H new ATOM 0 HG3 LYS A 27 4.449 10.340 -7.052 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.903 11.511 -8.323 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.601 10.477 -9.553 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.739 8.827 -9.166 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.022 9.948 -8.025 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.020 10.155 -10.205 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.831 11.591 -9.801 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.526 10.506 -10.906 1.00 1.89 H new ATOM 449 N GLU A 28 4.660 5.512 -9.109 1.00 0.30 N ATOM 450 CA GLU A 28 5.408 4.441 -9.762 1.00 0.34 C ATOM 451 C GLU A 28 6.855 4.863 -9.990 1.00 0.38 C ATOM 452 O GLU A 28 7.120 5.974 -10.448 1.00 0.42 O ATOM 453 CB GLU A 28 4.756 4.069 -11.097 1.00 0.42 C ATOM 454 CG GLU A 28 3.237 4.065 -11.056 1.00 0.35 C ATOM 455 CD GLU A 28 2.632 5.323 -11.650 1.00 1.10 C ATOM 456 OE1 GLU A 28 2.430 6.298 -10.896 1.00 2.03 O ATOM 457 OE2 GLU A 28 2.357 5.331 -12.868 1.00 1.23 O ATOM 0 H GLU A 28 3.801 5.780 -9.589 1.00 0.30 H new ATOM 0 HA GLU A 28 5.395 3.568 -9.109 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.088 4.772 -11.861 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.105 3.081 -11.399 1.00 0.42 H new ATOM 0 HG2 GLU A 28 2.865 3.196 -11.600 1.00 0.35 H new ATOM 0 HG3 GLU A 28 2.906 3.960 -10.023 1.00 0.35 H new ATOM 464 N GLY A 29 7.791 3.979 -9.654 1.00 0.39 N ATOM 465 CA GLY A 29 9.196 4.303 -9.820 1.00 0.45 C ATOM 466 C GLY A 29 9.686 5.300 -8.781 1.00 0.40 C ATOM 467 O GLY A 29 10.831 5.749 -8.836 1.00 0.44 O ATOM 0 H GLY A 29 7.603 3.052 -9.273 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.788 3.390 -9.751 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.357 4.713 -10.817 1.00 0.45 H new ATOM 471 N ASP A 30 8.808 5.663 -7.846 1.00 0.34 N ATOM 472 CA ASP A 30 9.140 6.629 -6.805 1.00 0.31 C ATOM 473 C ASP A 30 9.584 5.939 -5.525 1.00 0.25 C ATOM 474 O ASP A 30 9.221 4.792 -5.264 1.00 0.24 O ATOM 475 CB ASP A 30 7.933 7.523 -6.513 1.00 0.31 C ATOM 476 CG ASP A 30 8.337 8.898 -6.017 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.527 9.083 -5.684 1.00 1.36 O ATOM 478 OD2 ASP A 30 7.464 9.788 -5.960 1.00 1.27 O ATOM 0 H ASP A 30 7.857 5.299 -7.791 1.00 0.34 H new ATOM 0 HA ASP A 30 9.968 7.237 -7.170 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.335 7.628 -7.418 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.300 7.042 -5.767 1.00 0.31 H new ATOM 483 N THR A 31 10.369 6.651 -4.725 1.00 0.23 N ATOM 484 CA THR A 31 10.862 6.115 -3.466 1.00 0.18 C ATOM 485 C THR A 31 10.019 6.608 -2.296 1.00 0.18 C ATOM 486 O THR A 31 9.400 7.670 -2.363 1.00 0.30 O ATOM 487 CB THR A 31 12.331 6.500 -3.220 1.00 0.19 C ATOM 488 OG1 THR A 31 13.085 6.364 -4.430 1.00 0.31 O ATOM 489 CG2 THR A 31 12.938 5.624 -2.136 1.00 0.30 C ATOM 0 H THR A 31 10.677 7.602 -4.928 1.00 0.23 H new ATOM 0 HA THR A 31 10.790 5.030 -3.537 1.00 0.18 H new ATOM 0 HB THR A 31 12.364 7.539 -2.891 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.018 6.613 -4.264 1.00 0.31 H new ATOM 0 HG21 THR A 31 13.977 5.911 -1.976 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.379 5.752 -1.209 1.00 0.30 H new ATOM 0 HG23 THR A 31 12.893 4.580 -2.445 1.00 0.30 H new ATOM 497 N VAL A 32 9.998 5.821 -1.230 1.00 0.14 N ATOM 498 CA VAL A 32 9.232 6.150 -0.037 1.00 0.14 C ATOM 499 C VAL A 32 10.151 6.437 1.139 1.00 0.14 C ATOM 500 O VAL A 32 11.351 6.165 1.083 1.00 0.18 O ATOM 501 CB VAL A 32 8.258 5.015 0.366 1.00 0.20 C ATOM 502 CG1 VAL A 32 6.835 5.397 0.017 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.630 3.685 -0.285 1.00 0.18 C ATOM 0 H VAL A 32 10.509 4.940 -1.168 1.00 0.14 H new ATOM 0 HA VAL A 32 8.652 7.039 -0.284 1.00 0.14 H new ATOM 0 HB VAL A 32 8.337 4.881 1.445 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.161 4.591 0.305 1.00 0.28 H new ATOM 0 HG12 VAL A 32 6.561 6.307 0.551 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.757 5.568 -1.057 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.921 2.917 0.025 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.600 3.790 -1.370 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.635 3.397 0.024 1.00 0.18 H new ATOM 513 N SER A 33 9.573 6.980 2.205 1.00 0.23 N ATOM 514 CA SER A 33 10.326 7.302 3.410 1.00 0.31 C ATOM 515 C SER A 33 9.558 6.859 4.652 1.00 0.33 C ATOM 516 O SER A 33 8.335 6.723 4.620 1.00 0.35 O ATOM 517 CB SER A 33 10.605 8.804 3.474 1.00 0.38 C ATOM 518 OG SER A 33 10.929 9.318 2.194 1.00 1.42 O ATOM 0 H SER A 33 8.580 7.207 2.258 1.00 0.23 H new ATOM 0 HA SER A 33 11.276 6.768 3.377 1.00 0.31 H new ATOM 0 HB2 SER A 33 9.731 9.323 3.867 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.426 8.995 4.165 1.00 0.38 H new ATOM 0 HG SER A 33 11.101 10.280 2.262 1.00 1.42 H new ATOM 524 N GLN A 34 10.281 6.634 5.744 1.00 0.37 N ATOM 525 CA GLN A 34 9.660 6.204 6.992 1.00 0.41 C ATOM 526 C GLN A 34 8.536 7.150 7.399 1.00 0.43 C ATOM 527 O GLN A 34 7.620 6.764 8.125 1.00 0.52 O ATOM 528 CB GLN A 34 10.705 6.128 8.107 1.00 0.44 C ATOM 529 CG GLN A 34 11.245 7.484 8.530 1.00 0.76 C ATOM 530 CD GLN A 34 12.577 7.810 7.881 1.00 1.54 C ATOM 531 OE1 GLN A 34 12.672 8.716 7.054 1.00 2.38 O ATOM 532 NE2 GLN A 34 13.614 7.069 8.254 1.00 1.72 N ATOM 0 H GLN A 34 11.294 6.742 5.791 1.00 0.37 H new ATOM 0 HA GLN A 34 9.235 5.213 6.832 1.00 0.41 H new ATOM 0 HB2 GLN A 34 10.264 5.636 8.974 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.534 5.504 7.774 1.00 0.44 H new ATOM 0 HG2 GLN A 34 10.520 8.256 8.271 1.00 0.76 H new ATOM 0 HG3 GLN A 34 11.359 7.504 9.614 1.00 0.76 H new ATOM 0 HE21 GLN A 34 13.489 6.328 8.943 1.00 1.72 H new ATOM 0 HE22 GLN A 34 14.535 7.241 7.851 1.00 1.72 H new ATOM 541 N PHE A 35 8.612 8.390 6.930 1.00 0.43 N ATOM 542 CA PHE A 35 7.600 9.388 7.250 1.00 0.48 C ATOM 543 C PHE A 35 6.561 9.491 6.139 1.00 0.43 C ATOM 544 O PHE A 35 5.428 9.913 6.373 1.00 0.47 O ATOM 545 CB PHE A 35 8.253 10.751 7.479 1.00 0.58 C ATOM 546 CG PHE A 35 7.419 11.680 8.313 1.00 0.99 C ATOM 547 CD1 PHE A 35 6.856 11.246 9.502 1.00 1.86 C ATOM 548 CD2 PHE A 35 7.197 12.985 7.907 1.00 1.12 C ATOM 549 CE1 PHE A 35 6.086 12.098 10.271 1.00 2.52 C ATOM 550 CE2 PHE A 35 6.429 13.842 8.672 1.00 1.64 C ATOM 551 CZ PHE A 35 5.872 13.398 9.855 1.00 2.31 C ATOM 0 H PHE A 35 9.363 8.727 6.328 1.00 0.43 H new ATOM 0 HA PHE A 35 7.096 9.074 8.164 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.218 10.606 7.965 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.449 11.218 6.514 1.00 0.58 H new ATOM 0 HD1 PHE A 35 7.021 10.231 9.832 1.00 1.86 H new ATOM 0 HD2 PHE A 35 7.629 13.337 6.982 1.00 1.12 H new ATOM 0 HE1 PHE A 35 5.652 11.748 11.196 1.00 2.52 H new ATOM 0 HE2 PHE A 35 6.265 14.858 8.345 1.00 1.64 H new ATOM 0 HZ PHE A 35 5.270 14.066 10.454 1.00 2.31 H new ATOM 561 N ASP A 36 6.951 9.103 4.930 1.00 0.36 N ATOM 562 CA ASP A 36 6.047 9.153 3.787 1.00 0.34 C ATOM 563 C ASP A 36 5.390 7.799 3.555 1.00 0.25 C ATOM 564 O ASP A 36 6.008 6.880 3.018 1.00 0.21 O ATOM 565 CB ASP A 36 6.798 9.592 2.530 1.00 0.41 C ATOM 566 CG ASP A 36 6.951 11.098 2.445 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.397 11.800 3.317 1.00 0.84 O ATOM 568 OD2 ASP A 36 7.623 11.575 1.507 1.00 1.69 O ATOM 0 H ASP A 36 7.884 8.751 4.716 1.00 0.36 H new ATOM 0 HA ASP A 36 5.267 9.883 4.006 1.00 0.34 H new ATOM 0 HB2 ASP A 36 7.784 9.128 2.519 1.00 0.41 H new ATOM 0 HB3 ASP A 36 6.267 9.233 1.649 1.00 0.41 H new ATOM 573 N SER A 37 4.132 7.682 3.965 1.00 0.26 N ATOM 574 CA SER A 37 3.386 6.440 3.804 1.00 0.21 C ATOM 575 C SER A 37 3.079 6.175 2.333 1.00 0.23 C ATOM 576 O SER A 37 3.017 7.101 1.524 1.00 0.28 O ATOM 577 CB SER A 37 2.087 6.493 4.609 1.00 0.25 C ATOM 578 OG SER A 37 1.880 7.782 5.159 1.00 0.94 O ATOM 0 H SER A 37 3.607 8.434 4.412 1.00 0.26 H new ATOM 0 HA SER A 37 4.003 5.623 4.179 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.247 6.229 3.967 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.121 5.754 5.409 1.00 0.25 H new ATOM 0 HG SER A 37 0.962 8.072 4.977 1.00 0.94 H new ATOM 584 N ILE A 38 2.891 4.904 1.996 1.00 0.22 N ATOM 585 CA ILE A 38 2.592 4.508 0.626 1.00 0.27 C ATOM 586 C ILE A 38 1.118 4.731 0.300 1.00 0.27 C ATOM 587 O ILE A 38 0.763 5.688 -0.395 1.00 0.27 O ATOM 588 CB ILE A 38 2.968 3.030 0.385 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.464 2.835 0.668 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.612 2.607 -1.038 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.044 1.547 0.123 1.00 0.47 C ATOM 0 H ILE A 38 2.941 4.128 2.656 1.00 0.22 H new ATOM 0 HA ILE A 38 3.192 5.133 -0.035 1.00 0.27 H new ATOM 0 HB ILE A 38 2.397 2.396 1.063 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.014 3.675 0.243 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.623 2.863 1.746 1.00 0.36 H new ATOM 0 HG21 ILE A 38 2.885 1.562 -1.186 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.540 2.728 -1.196 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.156 3.229 -1.749 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.105 1.493 0.369 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.525 0.698 0.567 1.00 0.47 H new ATOM 0 HD13 ILE A 38 4.921 1.522 -0.960 1.00 0.47 H new ATOM 603 N CYS A 39 0.266 3.847 0.810 1.00 0.32 N ATOM 604 CA CYS A 39 -1.169 3.945 0.576 1.00 0.34 C ATOM 605 C CYS A 39 -1.928 4.148 1.883 1.00 0.40 C ATOM 606 O CYS A 39 -1.507 3.680 2.940 1.00 0.55 O ATOM 607 CB CYS A 39 -1.675 2.684 -0.121 1.00 0.40 C ATOM 608 SG CYS A 39 -3.351 2.829 -0.784 1.00 1.29 S ATOM 0 H CYS A 39 0.546 3.055 1.388 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.346 4.810 -0.063 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -0.994 2.434 -0.935 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.646 1.855 0.586 1.00 0.40 H new ATOM 0 HG CYS A 39 -3.297 3.254 -2.011 1.00 1.29 H new ATOM 614 N GLU A 40 -3.057 4.839 1.798 1.00 0.36 N ATOM 615 CA GLU A 40 -3.889 5.096 2.966 1.00 0.44 C ATOM 616 C GLU A 40 -5.361 4.937 2.609 1.00 0.48 C ATOM 617 O GLU A 40 -5.850 5.569 1.676 1.00 0.50 O ATOM 618 CB GLU A 40 -3.636 6.505 3.507 1.00 0.57 C ATOM 619 CG GLU A 40 -2.701 6.543 4.705 1.00 1.15 C ATOM 620 CD GLU A 40 -1.713 7.691 4.638 1.00 1.65 C ATOM 621 OE1 GLU A 40 -2.145 8.833 4.375 1.00 1.74 O ATOM 622 OE2 GLU A 40 -0.506 7.448 4.850 1.00 2.37 O ATOM 0 H GLU A 40 -3.419 5.233 0.929 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.629 4.372 3.738 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.217 7.120 2.711 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.589 6.953 3.787 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -3.290 6.628 5.618 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -2.155 5.602 4.765 1.00 1.15 H new ATOM 629 N VAL A 41 -6.062 4.092 3.353 1.00 0.55 N ATOM 630 CA VAL A 41 -7.478 3.857 3.103 1.00 0.64 C ATOM 631 C VAL A 41 -8.298 4.054 4.372 1.00 0.92 C ATOM 632 O VAL A 41 -7.840 3.748 5.472 1.00 1.08 O ATOM 633 CB VAL A 41 -7.728 2.440 2.556 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.952 2.224 1.266 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.357 1.391 3.594 1.00 1.32 C ATOM 0 H VAL A 41 -5.675 3.559 4.132 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.791 4.584 2.354 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.791 2.337 2.337 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -7.140 1.217 0.893 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.273 2.953 0.522 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.886 2.347 1.458 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.541 0.396 3.188 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.302 1.489 3.849 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.962 1.535 4.489 1.00 1.32 H new ATOM 645 N GLN A 42 -9.511 4.572 4.213 1.00 1.03 N ATOM 646 CA GLN A 42 -10.389 4.812 5.354 1.00 1.34 C ATOM 647 C GLN A 42 -11.770 4.203 5.131 1.00 1.39 C ATOM 648 O GLN A 42 -12.427 4.475 4.126 1.00 1.38 O ATOM 649 CB GLN A 42 -10.516 6.313 5.618 1.00 1.58 C ATOM 650 CG GLN A 42 -9.396 6.875 6.479 1.00 1.80 C ATOM 651 CD GLN A 42 -8.995 8.278 6.070 1.00 2.17 C ATOM 652 OE1 GLN A 42 -9.808 9.201 6.094 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.733 8.444 5.691 1.00 2.60 N ATOM 0 H GLN A 42 -9.908 4.833 3.310 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.943 4.330 6.224 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.531 6.841 4.665 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.471 6.508 6.105 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.713 6.881 7.522 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.528 6.219 6.413 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.093 7.650 5.687 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -7.404 9.366 5.404 1.00 2.60 H new ATOM 662 N SER A 43 -12.202 3.380 6.082 1.00 1.55 N ATOM 663 CA SER A 43 -13.505 2.730 6.002 1.00 1.64 C ATOM 664 C SER A 43 -14.408 3.189 7.143 1.00 2.05 C ATOM 665 O SER A 43 -13.931 3.532 8.224 1.00 2.29 O ATOM 666 CB SER A 43 -13.343 1.210 6.047 1.00 1.43 C ATOM 667 OG SER A 43 -14.019 0.592 4.966 1.00 1.73 O ATOM 0 H SER A 43 -11.667 3.147 6.919 1.00 1.55 H new ATOM 0 HA SER A 43 -13.968 3.011 5.056 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.284 0.953 6.012 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.733 0.827 6.990 1.00 1.43 H new ATOM 0 HG SER A 43 -13.898 -0.379 5.017 1.00 1.73 H new ATOM 673 N ASP A 44 -15.714 3.196 6.895 1.00 2.23 N ATOM 674 CA ASP A 44 -16.680 3.616 7.904 1.00 2.66 C ATOM 675 C ASP A 44 -16.529 2.797 9.182 1.00 2.80 C ATOM 676 O ASP A 44 -16.788 3.290 10.280 1.00 3.14 O ATOM 677 CB ASP A 44 -18.105 3.481 7.366 1.00 2.85 C ATOM 678 CG ASP A 44 -19.128 4.132 8.275 1.00 3.67 C ATOM 679 OD1 ASP A 44 -18.734 4.634 9.348 1.00 3.89 O ATOM 680 OD2 ASP A 44 -20.324 4.141 7.914 1.00 4.39 O ATOM 0 H ASP A 44 -16.127 2.916 6.005 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.485 4.662 8.140 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.162 3.934 6.376 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.348 2.425 7.248 1.00 2.85 H new ATOM 685 N LYS A 45 -16.116 1.543 9.032 1.00 2.69 N ATOM 686 CA LYS A 45 -15.940 0.658 10.177 1.00 2.92 C ATOM 687 C LYS A 45 -14.563 0.836 10.811 1.00 3.03 C ATOM 688 O LYS A 45 -14.437 0.885 12.034 1.00 3.65 O ATOM 689 CB LYS A 45 -16.143 -0.801 9.760 1.00 2.89 C ATOM 690 CG LYS A 45 -15.128 -1.296 8.742 1.00 2.98 C ATOM 691 CD LYS A 45 -15.737 -2.322 7.801 1.00 3.17 C ATOM 692 CE LYS A 45 -15.745 -1.820 6.367 1.00 3.22 C ATOM 693 NZ LYS A 45 -16.987 -2.217 5.647 1.00 3.62 N ATOM 0 H LYS A 45 -15.897 1.118 8.131 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.691 0.924 10.921 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.092 -1.433 10.647 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -17.145 -0.914 9.345 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -14.748 -0.452 8.166 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -14.277 -1.737 9.260 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -15.172 -3.253 7.860 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -16.756 -2.547 8.115 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -15.654 -0.734 6.362 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -14.877 -2.215 5.839 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -16.954 -1.856 4.672 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -17.062 -3.254 5.629 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -17.814 -1.819 6.136 1.00 3.62 H new ATOM 707 N ALA A 46 -13.532 0.933 9.977 1.00 2.58 N ATOM 708 CA ALA A 46 -12.171 1.104 10.469 1.00 2.82 C ATOM 709 C ALA A 46 -11.322 1.908 9.490 1.00 2.68 C ATOM 710 O ALA A 46 -11.591 1.929 8.289 1.00 2.63 O ATOM 711 CB ALA A 46 -11.533 -0.251 10.735 1.00 2.83 C ATOM 0 H ALA A 46 -13.613 0.896 8.961 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.220 1.663 11.404 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.517 -0.109 11.102 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.117 -0.788 11.483 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.508 -0.829 9.811 1.00 2.83 H new ATOM 717 N SER A 47 -10.290 2.560 10.015 1.00 2.96 N ATOM 718 CA SER A 47 -9.388 3.361 9.194 1.00 2.92 C ATOM 719 C SER A 47 -7.952 2.876 9.356 1.00 2.26 C ATOM 720 O SER A 47 -7.460 2.733 10.475 1.00 2.31 O ATOM 721 CB SER A 47 -9.492 4.838 9.578 1.00 3.72 C ATOM 722 OG SER A 47 -9.876 4.986 10.934 1.00 4.52 O ATOM 0 H SER A 47 -10.057 2.550 11.008 1.00 2.96 H new ATOM 0 HA SER A 47 -9.679 3.249 8.149 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.533 5.328 9.413 1.00 3.72 H new ATOM 0 HB3 SER A 47 -10.219 5.334 8.935 1.00 3.72 H new ATOM 0 HG SER A 47 -9.934 5.939 11.155 1.00 4.52 H new ATOM 728 N VAL A 48 -7.286 2.611 8.238 1.00 2.12 N ATOM 729 CA VAL A 48 -5.912 2.127 8.276 1.00 1.80 C ATOM 730 C VAL A 48 -4.996 2.932 7.363 1.00 1.55 C ATOM 731 O VAL A 48 -5.387 3.342 6.270 1.00 1.97 O ATOM 732 CB VAL A 48 -5.828 0.642 7.870 1.00 2.53 C ATOM 733 CG1 VAL A 48 -4.513 0.036 8.335 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.009 -0.137 8.429 1.00 3.50 C ATOM 0 H VAL A 48 -7.672 2.722 7.300 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.579 2.246 9.307 1.00 1.80 H new ATOM 0 HB VAL A 48 -5.867 0.581 6.782 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -4.471 -1.012 8.040 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -3.683 0.575 7.879 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -4.442 0.111 9.420 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -6.930 -1.182 8.130 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.007 -0.069 9.517 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -7.938 0.282 8.041 1.00 3.50 H new ATOM 744 N THR A 49 -3.765 3.134 7.820 1.00 1.13 N ATOM 745 CA THR A 49 -2.764 3.866 7.056 1.00 0.98 C ATOM 746 C THR A 49 -1.519 3.004 6.880 1.00 0.69 C ATOM 747 O THR A 49 -1.032 2.406 7.839 1.00 0.71 O ATOM 748 CB THR A 49 -2.376 5.188 7.745 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.664 4.918 8.958 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.611 6.023 8.050 1.00 1.46 C ATOM 0 H THR A 49 -3.435 2.797 8.725 1.00 1.13 H new ATOM 0 HA THR A 49 -3.197 4.104 6.084 1.00 0.98 H new ATOM 0 HB THR A 49 -1.735 5.751 7.066 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.217 4.049 8.888 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.311 6.951 8.536 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.134 6.252 7.121 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.274 5.465 8.711 1.00 1.46 H new ATOM 758 N ILE A 50 -1.018 2.923 5.654 1.00 0.66 N ATOM 759 CA ILE A 50 0.156 2.106 5.375 1.00 0.49 C ATOM 760 C ILE A 50 1.428 2.941 5.324 1.00 0.37 C ATOM 761 O ILE A 50 1.668 3.677 4.367 1.00 0.36 O ATOM 762 CB ILE A 50 0.005 1.337 4.045 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.252 0.466 4.075 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.239 0.485 3.774 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.364 -0.390 5.318 1.00 1.01 C ATOM 0 H ILE A 50 -1.402 3.408 4.843 1.00 0.66 H new ATOM 0 HA ILE A 50 0.235 1.393 6.196 1.00 0.49 H new ATOM 0 HB ILE A 50 -0.094 2.062 3.237 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -2.131 1.107 4.005 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.258 -0.180 3.197 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.113 -0.049 2.832 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.118 1.127 3.712 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.370 -0.233 4.583 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.279 -0.981 5.272 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.504 -1.057 5.379 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.390 0.250 6.200 1.00 1.01 H new ATOM 777 N THR A 51 2.248 2.799 6.359 1.00 0.41 N ATOM 778 CA THR A 51 3.512 3.515 6.442 1.00 0.44 C ATOM 779 C THR A 51 4.652 2.612 5.989 1.00 0.40 C ATOM 780 O THR A 51 4.427 1.466 5.602 1.00 0.50 O ATOM 781 CB THR A 51 3.788 4.017 7.875 1.00 0.56 C ATOM 782 OG1 THR A 51 5.150 4.439 8.011 1.00 0.79 O ATOM 783 CG2 THR A 51 3.484 2.933 8.898 1.00 1.04 C ATOM 0 H THR A 51 2.057 2.191 7.155 1.00 0.41 H new ATOM 0 HA THR A 51 3.445 4.383 5.786 1.00 0.44 H new ATOM 0 HB THR A 51 3.133 4.868 8.060 1.00 0.56 H new ATOM 0 HG1 THR A 51 5.305 4.755 8.926 1.00 0.79 H new ATOM 0 HG21 THR A 51 3.686 3.311 9.900 1.00 1.04 H new ATOM 0 HG22 THR A 51 2.435 2.646 8.823 1.00 1.04 H new ATOM 0 HG23 THR A 51 4.112 2.064 8.705 1.00 1.04 H new ATOM 791 N SER A 52 5.868 3.128 6.032 1.00 0.49 N ATOM 792 CA SER A 52 7.029 2.355 5.616 1.00 0.56 C ATOM 793 C SER A 52 8.009 2.155 6.766 1.00 0.56 C ATOM 794 O SER A 52 8.602 1.085 6.904 1.00 0.66 O ATOM 795 CB SER A 52 7.737 3.048 4.449 1.00 0.63 C ATOM 796 OG SER A 52 7.659 2.268 3.269 1.00 1.36 O ATOM 0 H SER A 52 6.078 4.074 6.349 1.00 0.49 H new ATOM 0 HA SER A 52 6.675 1.375 5.296 1.00 0.56 H new ATOM 0 HB2 SER A 52 7.285 4.024 4.274 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.782 3.222 4.705 1.00 0.63 H new ATOM 0 HG SER A 52 8.117 2.733 2.538 1.00 1.36 H new ATOM 802 N ARG A 53 8.197 3.195 7.573 1.00 0.54 N ATOM 803 CA ARG A 53 9.133 3.132 8.692 1.00 0.63 C ATOM 804 C ARG A 53 10.577 3.009 8.178 1.00 0.58 C ATOM 805 O ARG A 53 11.498 2.714 8.939 1.00 0.68 O ATOM 806 CB ARG A 53 8.753 1.970 9.637 1.00 0.83 C ATOM 807 CG ARG A 53 9.518 0.663 9.430 1.00 1.39 C ATOM 808 CD ARG A 53 10.521 0.433 10.549 1.00 2.19 C ATOM 809 NE ARG A 53 9.880 0.447 11.862 1.00 2.73 N ATOM 810 CZ ARG A 53 10.518 0.721 12.996 1.00 3.54 C ATOM 811 NH1 ARG A 53 11.816 0.994 12.985 1.00 4.04 N ATOM 812 NH2 ARG A 53 9.857 0.722 14.146 1.00 4.23 N ATOM 0 H ARG A 53 7.716 4.089 7.474 1.00 0.54 H new ATOM 0 HA ARG A 53 9.072 4.057 9.265 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.906 2.299 10.665 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.688 1.767 9.522 1.00 0.83 H new ATOM 0 HG2 ARG A 53 8.816 -0.170 9.389 1.00 1.39 H new ATOM 0 HG3 ARG A 53 10.037 0.690 8.472 1.00 1.39 H new ATOM 0 HD2 ARG A 53 11.021 -0.524 10.398 1.00 2.19 H new ATOM 0 HD3 ARG A 53 11.291 1.204 10.512 1.00 2.19 H new ATOM 0 HE ARG A 53 8.884 0.234 11.912 1.00 2.73 H new ATOM 0 HH11 ARG A 53 12.330 0.994 12.104 1.00 4.04 H new ATOM 0 HH12 ARG A 53 12.300 1.204 13.858 1.00 4.04 H new ATOM 0 HH21 ARG A 53 8.859 0.512 14.161 1.00 4.23 H new ATOM 0 HH22 ARG A 53 10.347 0.932 15.016 1.00 4.23 H new ATOM 826 N TYR A 54 10.753 3.228 6.874 1.00 0.45 N ATOM 827 CA TYR A 54 12.051 3.137 6.226 1.00 0.41 C ATOM 828 C TYR A 54 11.924 3.659 4.803 1.00 0.31 C ATOM 829 O TYR A 54 10.817 3.938 4.342 1.00 0.28 O ATOM 830 CB TYR A 54 12.550 1.690 6.214 1.00 0.50 C ATOM 831 CG TYR A 54 13.239 1.272 7.494 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.347 1.962 7.967 1.00 1.89 C ATOM 833 CD2 TYR A 54 12.781 0.184 8.228 1.00 1.77 C ATOM 834 CE1 TYR A 54 14.980 1.582 9.136 1.00 2.72 C ATOM 835 CE2 TYR A 54 13.408 -0.202 9.398 1.00 2.59 C ATOM 836 CZ TYR A 54 14.507 0.500 9.847 1.00 2.95 C ATOM 837 OH TYR A 54 15.134 0.117 11.010 1.00 3.88 O ATOM 0 H TYR A 54 9.993 3.474 6.240 1.00 0.45 H new ATOM 0 HA TYR A 54 12.774 3.737 6.779 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.705 1.025 6.033 1.00 0.50 H new ATOM 0 HB3 TYR A 54 13.241 1.561 5.381 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.721 2.810 7.412 1.00 1.89 H new ATOM 0 HD2 TYR A 54 11.921 -0.369 7.879 1.00 1.77 H new ATOM 0 HE1 TYR A 54 15.841 2.130 9.490 1.00 2.72 H new ATOM 0 HE2 TYR A 54 13.039 -1.049 9.958 1.00 2.59 H new ATOM 0 HH TYR A 54 14.675 -0.662 11.388 1.00 3.88 H new ATOM 847 N ASP A 55 13.039 3.798 4.102 1.00 0.30 N ATOM 848 CA ASP A 55 12.991 4.296 2.734 1.00 0.24 C ATOM 849 C ASP A 55 13.014 3.140 1.744 1.00 0.23 C ATOM 850 O ASP A 55 13.914 2.300 1.771 1.00 0.28 O ATOM 851 CB ASP A 55 14.152 5.252 2.454 1.00 0.28 C ATOM 852 CG ASP A 55 14.531 6.085 3.665 1.00 1.01 C ATOM 853 OD1 ASP A 55 14.969 5.498 4.676 1.00 1.33 O ATOM 854 OD2 ASP A 55 14.389 7.324 3.599 1.00 1.52 O ATOM 0 H ASP A 55 13.973 3.578 4.449 1.00 0.30 H new ATOM 0 HA ASP A 55 12.058 4.847 2.612 1.00 0.24 H new ATOM 0 HB2 ASP A 55 15.019 4.678 2.127 1.00 0.28 H new ATOM 0 HB3 ASP A 55 13.881 5.915 1.633 1.00 0.28 H new ATOM 859 N GLY A 56 12.003 3.096 0.880 1.00 0.18 N ATOM 860 CA GLY A 56 11.911 2.028 -0.097 1.00 0.18 C ATOM 861 C GLY A 56 11.607 2.524 -1.494 1.00 0.15 C ATOM 862 O GLY A 56 11.196 3.661 -1.677 1.00 0.15 O ATOM 0 H GLY A 56 11.248 3.780 0.840 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.850 1.475 -0.111 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.134 1.329 0.211 1.00 0.18 H new ATOM 866 N VAL A 57 11.819 1.670 -2.488 1.00 0.18 N ATOM 867 CA VAL A 57 11.573 2.052 -3.878 1.00 0.21 C ATOM 868 C VAL A 57 10.292 1.432 -4.435 1.00 0.22 C ATOM 869 O VAL A 57 10.158 0.211 -4.502 1.00 0.26 O ATOM 870 CB VAL A 57 12.753 1.653 -4.784 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.569 2.217 -6.184 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.071 2.121 -4.182 1.00 1.11 C ATOM 0 H VAL A 57 12.158 0.716 -2.362 1.00 0.18 H new ATOM 0 HA VAL A 57 11.460 3.136 -3.875 1.00 0.21 H new ATOM 0 HB VAL A 57 12.778 0.566 -4.857 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.413 1.924 -6.808 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.647 1.828 -6.615 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.515 3.305 -6.134 1.00 1.06 H new ATOM 0 HG21 VAL A 57 14.893 1.830 -4.836 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.058 3.206 -4.076 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.207 1.662 -3.202 1.00 1.11 H new ATOM 882 N ILE A 58 9.364 2.290 -4.858 1.00 0.21 N ATOM 883 CA ILE A 58 8.098 1.844 -5.436 1.00 0.24 C ATOM 884 C ILE A 58 8.173 1.913 -6.954 1.00 0.33 C ATOM 885 O ILE A 58 8.573 2.936 -7.517 1.00 0.38 O ATOM 886 CB ILE A 58 6.922 2.698 -4.936 1.00 0.19 C ATOM 887 CG1 ILE A 58 6.980 2.802 -3.417 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.594 2.100 -5.371 1.00 0.23 C ATOM 889 CD1 ILE A 58 5.926 3.714 -2.832 1.00 0.17 C ATOM 0 H ILE A 58 9.467 3.304 -4.810 1.00 0.21 H new ATOM 0 HA ILE A 58 7.927 0.814 -5.121 1.00 0.24 H new ATOM 0 HB ILE A 58 7.002 3.694 -5.372 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.865 1.806 -2.988 1.00 0.20 H new ATOM 0 HG13 ILE A 58 7.965 3.164 -3.123 1.00 0.20 H new ATOM 0 HG21 ILE A 58 4.777 2.722 -5.005 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.555 2.053 -6.459 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.496 1.095 -4.961 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.028 3.739 -1.747 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.053 4.720 -3.232 1.00 0.17 H new ATOM 0 HD13 ILE A 58 4.936 3.341 -3.095 1.00 0.17 H new ATOM 901 N LYS A 59 7.828 0.805 -7.608 1.00 0.40 N ATOM 902 CA LYS A 59 7.910 0.722 -9.063 1.00 0.53 C ATOM 903 C LYS A 59 6.571 0.934 -9.772 1.00 0.52 C ATOM 904 O LYS A 59 6.535 1.540 -10.843 1.00 0.61 O ATOM 905 CB LYS A 59 8.488 -0.634 -9.468 1.00 0.65 C ATOM 906 CG LYS A 59 9.073 -0.652 -10.870 1.00 0.83 C ATOM 907 CD LYS A 59 9.605 -2.029 -11.232 1.00 1.03 C ATOM 908 CE LYS A 59 10.553 -1.966 -12.418 1.00 1.51 C ATOM 909 NZ LYS A 59 11.740 -2.845 -12.228 1.00 2.14 N ATOM 0 H LYS A 59 7.490 -0.044 -7.154 1.00 0.40 H new ATOM 0 HA LYS A 59 8.562 1.537 -9.379 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.264 -0.916 -8.756 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.704 -1.388 -9.401 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.309 -0.355 -11.588 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.877 0.080 -10.940 1.00 0.83 H new ATOM 0 HD2 LYS A 59 10.123 -2.457 -10.374 1.00 1.03 H new ATOM 0 HD3 LYS A 59 8.772 -2.692 -11.466 1.00 1.03 H new ATOM 0 HE2 LYS A 59 10.023 -2.263 -13.323 1.00 1.51 H new ATOM 0 HE3 LYS A 59 10.883 -0.938 -12.565 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 12.362 -2.773 -13.059 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 12.261 -2.546 -11.379 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 11.428 -3.830 -12.113 1.00 2.14 H new ATOM 923 N LYS A 60 5.477 0.419 -9.216 1.00 0.44 N ATOM 924 CA LYS A 60 4.180 0.566 -9.882 1.00 0.45 C ATOM 925 C LYS A 60 3.028 0.792 -8.906 1.00 0.37 C ATOM 926 O LYS A 60 2.973 0.200 -7.830 1.00 0.53 O ATOM 927 CB LYS A 60 3.866 -0.662 -10.755 1.00 0.55 C ATOM 928 CG LYS A 60 5.022 -1.640 -10.914 1.00 0.76 C ATOM 929 CD LYS A 60 5.139 -2.563 -9.711 1.00 0.51 C ATOM 930 CE LYS A 60 6.239 -3.594 -9.916 1.00 0.71 C ATOM 931 NZ LYS A 60 5.785 -4.732 -10.764 1.00 1.35 N ATOM 0 H LYS A 60 5.457 -0.090 -8.332 1.00 0.44 H new ATOM 0 HA LYS A 60 4.267 1.455 -10.506 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.017 -1.191 -10.322 1.00 0.55 H new ATOM 0 HB3 LYS A 60 3.559 -0.320 -11.743 1.00 0.55 H new ATOM 0 HG2 LYS A 60 4.877 -2.233 -11.817 1.00 0.76 H new ATOM 0 HG3 LYS A 60 5.953 -1.087 -11.042 1.00 0.76 H new ATOM 0 HD2 LYS A 60 5.349 -1.976 -8.817 1.00 0.51 H new ATOM 0 HD3 LYS A 60 4.188 -3.069 -9.544 1.00 0.51 H new ATOM 0 HE2 LYS A 60 7.101 -3.117 -10.381 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.567 -3.972 -8.948 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 6.564 -5.412 -10.879 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 4.978 -5.204 -10.308 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 5.496 -4.376 -11.697 1.00 1.35 H new ATOM 945 N LEU A 61 2.095 1.641 -9.327 1.00 0.35 N ATOM 946 CA LEU A 61 0.904 1.958 -8.547 1.00 0.37 C ATOM 947 C LEU A 61 -0.305 2.005 -9.478 1.00 0.56 C ATOM 948 O LEU A 61 -0.319 2.766 -10.445 1.00 0.94 O ATOM 949 CB LEU A 61 1.073 3.297 -7.825 1.00 0.39 C ATOM 950 CG LEU A 61 2.049 3.276 -6.647 1.00 0.33 C ATOM 951 CD1 LEU A 61 2.998 4.463 -6.713 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.292 3.272 -5.328 1.00 0.91 C ATOM 0 H LEU A 61 2.144 2.129 -10.221 1.00 0.35 H new ATOM 0 HA LEU A 61 0.753 1.186 -7.792 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.412 4.041 -8.546 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.098 3.624 -7.464 1.00 0.39 H new ATOM 0 HG LEU A 61 2.640 2.362 -6.709 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.683 4.429 -5.866 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.567 4.423 -7.642 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.425 5.389 -6.678 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.002 3.257 -4.501 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.675 4.168 -5.260 1.00 0.91 H new ATOM 0 HD23 LEU A 61 0.656 2.388 -5.276 1.00 0.91 H new ATOM 964 N TYR A 62 -1.303 1.171 -9.210 1.00 0.68 N ATOM 965 CA TYR A 62 -2.487 1.116 -10.063 1.00 0.88 C ATOM 966 C TYR A 62 -3.686 1.843 -9.454 1.00 0.75 C ATOM 967 O TYR A 62 -4.390 2.575 -10.148 1.00 0.87 O ATOM 968 CB TYR A 62 -2.855 -0.340 -10.352 1.00 1.16 C ATOM 969 CG TYR A 62 -3.693 -0.517 -11.599 1.00 1.24 C ATOM 970 CD1 TYR A 62 -4.944 0.076 -11.710 1.00 1.55 C ATOM 971 CD2 TYR A 62 -3.230 -1.277 -12.666 1.00 1.81 C ATOM 972 CE1 TYR A 62 -5.711 -0.083 -12.849 1.00 2.07 C ATOM 973 CE2 TYR A 62 -3.990 -1.441 -13.809 1.00 2.35 C ATOM 974 CZ TYR A 62 -5.229 -0.842 -13.895 1.00 2.38 C ATOM 975 OH TYR A 62 -5.989 -1.004 -15.032 1.00 3.08 O ATOM 0 H TYR A 62 -1.318 0.529 -8.417 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.236 1.629 -10.991 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.940 -0.924 -10.453 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.399 -0.745 -9.498 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -5.324 0.671 -10.893 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -2.260 -1.748 -12.601 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -6.682 0.384 -12.919 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -3.616 -2.035 -14.630 1.00 2.35 H new ATOM 0 HH TYR A 62 -5.504 -1.565 -15.672 1.00 3.08 H new ATOM 985 N TYR A 63 -3.930 1.625 -8.167 1.00 0.64 N ATOM 986 CA TYR A 63 -5.066 2.253 -7.494 1.00 0.62 C ATOM 987 C TYR A 63 -4.724 3.655 -6.994 1.00 0.63 C ATOM 988 O TYR A 63 -3.674 3.873 -6.390 1.00 0.73 O ATOM 989 CB TYR A 63 -5.535 1.377 -6.331 1.00 0.79 C ATOM 990 CG TYR A 63 -6.000 0.004 -6.764 1.00 1.02 C ATOM 991 CD1 TYR A 63 -6.722 -0.163 -7.938 1.00 1.28 C ATOM 992 CD2 TYR A 63 -5.716 -1.122 -6.001 1.00 1.16 C ATOM 993 CE1 TYR A 63 -7.150 -1.414 -8.342 1.00 1.56 C ATOM 994 CE2 TYR A 63 -6.140 -2.377 -6.398 1.00 1.45 C ATOM 995 CZ TYR A 63 -6.856 -2.518 -7.569 1.00 1.60 C ATOM 996 OH TYR A 63 -7.279 -3.765 -7.969 1.00 1.93 O ATOM 0 H TYR A 63 -3.362 1.023 -7.570 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.871 2.351 -8.222 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.720 1.268 -5.616 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.349 1.881 -5.811 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -6.953 0.699 -8.546 1.00 1.28 H new ATOM 0 HD2 TYR A 63 -5.156 -1.015 -5.084 1.00 1.16 H new ATOM 0 HE1 TYR A 63 -7.711 -1.526 -9.258 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -5.912 -3.243 -5.794 1.00 1.45 H new ATOM 0 HH TYR A 63 -6.989 -4.434 -7.314 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.625 4.602 -7.253 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.432 5.985 -6.835 1.00 0.67 C ATOM 1008 C ASN A 64 -6.341 6.349 -5.669 1.00 0.49 C ATOM 1009 O ASN A 64 -6.998 5.494 -5.076 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.714 6.944 -7.989 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.896 6.627 -9.225 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -5.442 6.286 -10.274 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.578 6.738 -9.107 1.00 1.03 N ATOM 0 H ASN A 64 -6.498 4.433 -7.752 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.393 6.078 -6.520 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.774 6.903 -8.239 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.501 7.964 -7.669 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.976 6.537 -9.905 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -3.168 7.024 -8.218 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.355 7.637 -5.354 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.152 8.174 -4.270 1.00 0.54 C ATOM 1022 C LEU A 65 -8.648 7.983 -4.508 1.00 0.66 C ATOM 1023 O LEU A 65 -9.449 8.090 -3.579 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.837 9.659 -4.127 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.577 9.976 -3.325 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.775 11.076 -4.002 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.936 10.373 -1.902 1.00 1.04 C ATOM 0 H LEU A 65 -5.808 8.340 -5.850 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.901 7.635 -3.357 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.734 10.091 -5.122 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.686 10.151 -3.652 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.960 9.078 -3.285 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.881 11.288 -3.416 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.485 10.752 -5.002 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.383 11.978 -4.075 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.025 10.595 -1.346 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.575 11.256 -1.921 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.466 9.553 -1.418 1.00 1.04 H new ATOM 1039 N ASP A 66 -9.024 7.719 -5.754 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.428 7.537 -6.101 1.00 0.92 C ATOM 1041 C ASP A 66 -10.761 6.069 -6.344 1.00 0.87 C ATOM 1042 O ASP A 66 -11.911 5.652 -6.202 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.765 8.356 -7.349 1.00 1.12 C ATOM 1044 CG ASP A 66 -12.226 8.251 -7.736 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -13.046 7.889 -6.867 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -12.550 8.529 -8.910 1.00 2.33 O ATOM 0 H ASP A 66 -8.379 7.626 -6.538 1.00 0.75 H new ATOM 0 HA ASP A 66 -11.027 7.883 -5.259 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -10.514 9.402 -7.172 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.147 8.016 -8.180 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.757 5.294 -6.734 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.955 3.878 -7.023 1.00 0.81 C ATOM 1053 C ASP A 67 -10.101 3.037 -5.756 1.00 0.69 C ATOM 1054 O ASP A 67 -9.591 3.389 -4.685 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.797 3.337 -7.861 1.00 0.92 C ATOM 1056 CG ASP A 67 -8.465 4.225 -9.046 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -9.055 5.321 -9.155 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -7.611 3.824 -9.864 1.00 1.85 O ATOM 0 H ASP A 67 -8.799 5.621 -6.858 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.887 3.801 -7.583 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.914 3.235 -7.230 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -9.049 2.339 -8.220 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.794 1.910 -5.912 1.00 0.83 N ATOM 1064 CA ILE A 68 -11.026 0.968 -4.822 1.00 0.78 C ATOM 1065 C ILE A 68 -10.120 -0.241 -4.959 1.00 0.99 C ATOM 1066 O ILE A 68 -9.881 -0.734 -6.062 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.484 0.462 -4.804 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.470 1.633 -4.697 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.688 -0.548 -3.672 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.674 2.145 -3.288 1.00 1.10 C ATOM 0 H ILE A 68 -11.210 1.626 -6.799 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.815 1.505 -3.897 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.684 -0.048 -5.747 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -13.113 2.452 -5.321 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.433 1.321 -5.101 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.722 -0.894 -3.675 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.021 -1.398 -3.818 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.467 -0.073 -2.716 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.385 2.971 -3.301 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -14.062 1.342 -2.662 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.722 2.491 -2.885 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.644 -0.728 -3.830 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.793 -1.897 -3.813 1.00 1.34 C ATOM 1084 C ALA A 69 -9.535 -3.067 -3.178 1.00 1.19 C ATOM 1085 O ALA A 69 -10.410 -2.868 -2.322 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.504 -1.601 -3.067 1.00 2.16 C ATOM 0 H ALA A 69 -9.834 -0.329 -2.911 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.534 -2.166 -4.837 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.874 -2.490 -3.063 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.977 -0.785 -3.561 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.735 -1.315 -2.041 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.186 -4.279 -3.601 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.816 -5.487 -3.079 1.00 1.38 C ATOM 1094 C TYR A 70 -8.778 -6.391 -2.421 1.00 1.17 C ATOM 1095 O TYR A 70 -7.684 -6.587 -2.952 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.536 -6.255 -4.195 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.955 -5.399 -5.374 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -11.501 -4.135 -5.186 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -10.802 -5.859 -6.676 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -11.881 -3.354 -6.260 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -11.180 -5.083 -7.756 1.00 4.07 C ATOM 1102 CZ TYR A 70 -11.719 -3.833 -7.543 1.00 4.67 C ATOM 1103 OH TYR A 70 -12.096 -3.058 -8.615 1.00 5.65 O ATOM 0 H TYR A 70 -8.469 -4.450 -4.306 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.550 -5.184 -2.332 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -9.882 -7.050 -4.553 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.421 -6.735 -3.777 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -11.630 -3.757 -4.183 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -10.381 -6.839 -6.847 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -12.303 -2.373 -6.096 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -11.053 -5.455 -8.762 1.00 4.07 H new ATOM 0 HH TYR A 70 -11.914 -3.541 -9.448 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.127 -6.941 -1.263 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.226 -7.823 -0.532 1.00 2.02 C ATOM 1115 C VAL A 71 -8.056 -9.159 -1.248 1.00 2.00 C ATOM 1116 O VAL A 71 -9.017 -9.717 -1.779 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.736 -8.085 0.896 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -10.122 -8.709 0.858 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -7.760 -8.972 1.655 1.00 3.61 C ATOM 0 H VAL A 71 -10.029 -6.791 -0.810 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.262 -7.316 -0.483 1.00 2.02 H new ATOM 0 HB VAL A 71 -8.807 -7.133 1.422 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -10.468 -8.888 1.876 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -10.812 -8.032 0.354 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -10.081 -9.654 0.317 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -8.136 -9.147 2.663 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -7.655 -9.925 1.136 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -6.789 -8.480 1.710 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.828 -9.667 -1.259 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.557 -10.934 -1.912 1.00 1.87 C ATOM 1131 C GLY A 72 -5.511 -10.825 -3.007 1.00 1.57 C ATOM 1132 O GLY A 72 -5.030 -11.840 -3.511 1.00 1.63 O ATOM 0 H GLY A 72 -6.017 -9.224 -0.828 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.222 -11.656 -1.167 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.482 -11.322 -2.338 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.157 -9.598 -3.382 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.163 -9.382 -4.426 1.00 1.09 C ATOM 1138 C LYS A 73 -3.414 -8.066 -4.211 1.00 0.83 C ATOM 1139 O LYS A 73 -4.033 -7.029 -3.970 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.837 -9.380 -5.799 1.00 1.27 C ATOM 1141 CG LYS A 73 -5.232 -10.764 -6.288 1.00 1.59 C ATOM 1142 CD LYS A 73 -4.014 -11.625 -6.584 1.00 1.98 C ATOM 1143 CE LYS A 73 -3.362 -11.236 -7.900 1.00 2.32 C ATOM 1144 NZ LYS A 73 -2.753 -12.410 -8.583 1.00 2.96 N ATOM 0 H LYS A 73 -5.542 -8.743 -2.980 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.440 -10.197 -4.379 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.727 -8.752 -5.756 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -4.162 -8.927 -6.525 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -5.849 -11.254 -5.535 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -5.840 -10.672 -7.188 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -3.291 -11.524 -5.775 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -4.309 -12.674 -6.619 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -4.106 -10.781 -8.554 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -2.595 -10.483 -7.717 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -2.318 -12.105 -9.477 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -2.025 -12.830 -7.970 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -3.489 -13.117 -8.780 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.067 -8.081 -4.303 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.254 -6.875 -4.124 1.00 0.64 C ATOM 1160 C PRO A 74 -1.416 -5.903 -5.282 1.00 0.53 C ATOM 1161 O PRO A 74 -1.734 -6.307 -6.401 1.00 0.75 O ATOM 1162 CB PRO A 74 0.191 -7.392 -4.069 1.00 0.77 C ATOM 1163 CG PRO A 74 0.099 -8.883 -4.017 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.235 -9.257 -4.595 1.00 0.91 C ATOM 0 HA PRO A 74 -1.549 -6.326 -3.230 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.754 -7.067 -4.944 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.710 -7.003 -3.193 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.908 -9.340 -4.586 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.189 -9.240 -2.991 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.171 -9.449 -5.666 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.636 -10.159 -4.133 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.195 -4.620 -5.015 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.322 -3.609 -6.053 1.00 0.49 C ATOM 1174 C LEU A 75 -0.007 -2.868 -6.284 1.00 0.46 C ATOM 1175 O LEU A 75 0.165 -2.224 -7.319 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.443 -2.611 -5.723 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.462 -2.058 -4.292 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -2.964 -3.110 -3.312 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -1.084 -1.553 -3.888 1.00 1.32 C ATOM 0 H LEU A 75 -0.930 -4.260 -4.098 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.582 -4.130 -6.974 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.367 -1.771 -6.413 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.400 -3.096 -5.915 1.00 0.64 H new ATOM 0 HG LEU A 75 -3.152 -1.214 -4.264 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -2.969 -2.695 -2.304 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -3.976 -3.409 -3.586 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.307 -3.979 -3.344 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -1.122 -1.166 -2.870 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -0.367 -2.373 -3.938 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -0.774 -0.758 -4.567 1.00 1.32 H new ATOM 1191 N VAL A 76 0.923 -2.948 -5.331 1.00 0.32 N ATOM 1192 CA VAL A 76 2.204 -2.254 -5.492 1.00 0.29 C ATOM 1193 C VAL A 76 3.392 -3.056 -4.967 1.00 0.27 C ATOM 1194 O VAL A 76 3.289 -3.754 -3.962 1.00 0.35 O ATOM 1195 CB VAL A 76 2.195 -0.881 -4.791 1.00 0.36 C ATOM 1196 CG1 VAL A 76 2.141 -1.044 -3.278 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.416 -0.071 -5.201 1.00 0.47 C ATOM 0 H VAL A 76 0.820 -3.471 -4.461 1.00 0.32 H new ATOM 0 HA VAL A 76 2.324 -2.126 -6.568 1.00 0.29 H new ATOM 0 HB VAL A 76 1.300 -0.342 -5.103 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.136 -0.061 -2.806 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.235 -1.584 -3.002 1.00 0.37 H new ATOM 0 HG13 VAL A 76 3.014 -1.604 -2.941 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.397 0.896 -4.699 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.321 -0.609 -4.918 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.406 0.081 -6.280 1.00 0.47 H new ATOM 1207 N ASP A 77 4.530 -2.911 -5.647 1.00 0.30 N ATOM 1208 CA ASP A 77 5.769 -3.577 -5.253 1.00 0.41 C ATOM 1209 C ASP A 77 6.770 -2.531 -4.776 1.00 0.38 C ATOM 1210 O ASP A 77 7.038 -1.555 -5.479 1.00 0.41 O ATOM 1211 CB ASP A 77 6.366 -4.367 -6.420 1.00 0.58 C ATOM 1212 CG ASP A 77 5.323 -5.121 -7.228 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.263 -4.536 -7.534 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.575 -6.296 -7.565 1.00 1.10 O ATOM 0 H ASP A 77 4.617 -2.331 -6.482 1.00 0.30 H new ATOM 0 HA ASP A 77 5.547 -4.278 -4.448 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.901 -3.682 -7.078 1.00 0.58 H new ATOM 0 HB3 ASP A 77 7.099 -5.075 -6.034 1.00 0.58 H new ATOM 1219 N ILE A 78 7.301 -2.716 -3.574 1.00 0.44 N ATOM 1220 CA ILE A 78 8.248 -1.757 -3.011 1.00 0.42 C ATOM 1221 C ILE A 78 9.447 -2.452 -2.383 1.00 0.41 C ATOM 1222 O ILE A 78 9.329 -3.557 -1.864 1.00 0.51 O ATOM 1223 CB ILE A 78 7.577 -0.875 -1.938 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.119 -0.585 -2.312 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.355 0.419 -1.750 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.129 -1.496 -1.623 1.00 0.86 C ATOM 0 H ILE A 78 7.095 -3.514 -2.973 1.00 0.44 H new ATOM 0 HA ILE A 78 8.587 -1.136 -3.840 1.00 0.42 H new ATOM 0 HB ILE A 78 7.583 -1.417 -0.992 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.886 0.449 -2.060 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.002 -0.684 -3.391 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.868 1.029 -0.990 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.372 0.189 -1.434 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.383 0.967 -2.692 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.117 -1.235 -1.933 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.336 -2.531 -1.895 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.218 -1.380 -0.543 1.00 0.86 H new ATOM 1238 N GLU A 79 10.601 -1.790 -2.410 1.00 0.29 N ATOM 1239 CA GLU A 79 11.804 -2.358 -1.815 1.00 0.29 C ATOM 1240 C GLU A 79 12.024 -1.765 -0.434 1.00 0.47 C ATOM 1241 O GLU A 79 12.286 -0.576 -0.303 1.00 0.79 O ATOM 1242 CB GLU A 79 13.025 -2.072 -2.694 1.00 0.62 C ATOM 1243 CG GLU A 79 12.968 -2.736 -4.057 1.00 0.92 C ATOM 1244 CD GLU A 79 14.198 -3.573 -4.351 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.280 -3.245 -3.820 1.00 1.09 O ATOM 1246 OE2 GLU A 79 14.081 -4.556 -5.113 1.00 1.39 O ATOM 0 H GLU A 79 10.727 -0.870 -2.833 1.00 0.29 H new ATOM 0 HA GLU A 79 11.674 -3.437 -1.733 1.00 0.29 H new ATOM 0 HB2 GLU A 79 13.119 -0.995 -2.829 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.922 -2.408 -2.174 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.082 -3.368 -4.112 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.862 -1.970 -4.826 1.00 0.92 H new ATOM 1253 N THR A 80 11.918 -2.602 0.592 1.00 0.64 N ATOM 1254 CA THR A 80 12.105 -2.154 1.966 1.00 1.05 C ATOM 1255 C THR A 80 12.844 -3.202 2.789 1.00 1.00 C ATOM 1256 O THR A 80 12.809 -4.391 2.471 1.00 1.22 O ATOM 1257 CB THR A 80 10.757 -1.840 2.647 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.713 -2.623 2.056 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.415 -0.361 2.528 1.00 1.18 C ATOM 0 H THR A 80 11.703 -3.595 0.498 1.00 0.64 H new ATOM 0 HA THR A 80 12.701 -1.242 1.921 1.00 1.05 H new ATOM 0 HB THR A 80 10.847 -2.091 3.704 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.866 -2.134 2.112 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.460 -0.168 3.017 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.194 0.232 3.007 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.346 -0.087 1.475 1.00 1.18 H new ATOM 1267 N GLU A 81 13.506 -2.759 3.853 1.00 1.27 N ATOM 1268 CA GLU A 81 14.241 -3.669 4.722 1.00 1.30 C ATOM 1269 C GLU A 81 13.310 -4.737 5.286 1.00 1.99 C ATOM 1270 O GLU A 81 12.103 -4.521 5.403 1.00 2.56 O ATOM 1271 CB GLU A 81 14.906 -2.897 5.863 1.00 1.53 C ATOM 1272 CG GLU A 81 16.346 -3.311 6.118 1.00 1.62 C ATOM 1273 CD GLU A 81 16.452 -4.536 7.005 1.00 2.40 C ATOM 1274 OE1 GLU A 81 15.964 -4.482 8.153 1.00 2.85 O ATOM 1275 OE2 GLU A 81 17.022 -5.551 6.550 1.00 3.13 O ATOM 0 H GLU A 81 13.548 -1.779 4.133 1.00 1.27 H new ATOM 0 HA GLU A 81 15.016 -4.157 4.131 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.878 -1.832 5.635 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.328 -3.043 6.775 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.836 -3.513 5.166 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.881 -2.483 6.583 1.00 1.62 H new ATOM 1282 N ALA A 82 13.873 -5.892 5.630 1.00 2.01 N ATOM 1283 CA ALA A 82 13.089 -6.999 6.177 1.00 2.67 C ATOM 1284 C ALA A 82 12.082 -6.511 7.218 1.00 3.02 C ATOM 1285 O ALA A 82 12.457 -6.093 8.313 1.00 3.10 O ATOM 1286 CB ALA A 82 14.012 -8.044 6.786 1.00 2.85 C ATOM 0 H ALA A 82 14.870 -6.087 5.540 1.00 2.01 H new ATOM 0 HA ALA A 82 12.529 -7.450 5.358 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.417 -8.863 7.190 1.00 2.85 H new ATOM 0 HB2 ALA A 82 14.684 -8.428 6.018 1.00 2.85 H new ATOM 0 HB3 ALA A 82 14.597 -7.591 7.587 1.00 2.85 H new ATOM 1292 N LEU A 83 10.801 -6.568 6.865 1.00 3.31 N ATOM 1293 CA LEU A 83 9.739 -6.132 7.764 1.00 3.73 C ATOM 1294 C LEU A 83 8.729 -7.253 8.001 1.00 4.31 C ATOM 1295 O LEU A 83 8.310 -7.933 7.064 1.00 4.31 O ATOM 1296 CB LEU A 83 9.032 -4.900 7.193 1.00 3.56 C ATOM 1297 CG LEU A 83 9.070 -3.657 8.085 1.00 3.51 C ATOM 1298 CD1 LEU A 83 10.489 -3.118 8.192 1.00 3.49 C ATOM 1299 CD2 LEU A 83 8.131 -2.587 7.545 1.00 3.60 C ATOM 0 H LEU A 83 10.474 -6.912 5.962 1.00 3.31 H new ATOM 0 HA LEU A 83 10.192 -5.870 8.720 1.00 3.73 H new ATOM 0 HB2 LEU A 83 9.485 -4.653 6.233 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.991 -5.156 6.998 1.00 3.56 H new ATOM 0 HG LEU A 83 8.735 -3.939 9.083 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.495 -2.234 8.830 1.00 3.49 H new ATOM 0 HD12 LEU A 83 11.137 -3.882 8.623 1.00 3.49 H new ATOM 0 HD13 LEU A 83 10.853 -2.851 7.200 1.00 3.49 H new ATOM 0 HD21 LEU A 83 8.170 -1.710 8.191 1.00 3.60 H new ATOM 0 HD22 LEU A 83 8.437 -2.309 6.537 1.00 3.60 H new ATOM 0 HD23 LEU A 83 7.113 -2.975 7.521 1.00 3.60 H new