USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.474 K(o=-0.32,f=-11!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.793 K(o=-0.32,f=-6!) USER MOD Set 2.1: A 6 ASN : amide:sc= 0.622 K(o=2.8,f=-1.8) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -165:sc= 2.14 (180deg=0.115) USER MOD Set 3.1: A 1 MET N :NH3+ 136:sc= 1.31 (180deg=0) USER MOD Set 3.2: A 3 GLN : amide:sc= 1.38 K(o=2.7,f=-4.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -82:sc= -0.0648 USER MOD Single : A 8 GLN : amide:sc= 1.18 K(o=1.2,f=-3.2!) USER MOD Single : A 12 MET CE :methyl -162:sc= 0 (180deg=-0.31) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0401 USER MOD Single : A 19 SER OG : rot 180:sc= 0.104 USER MOD Single : A 20 SER OG : rot -23:sc= 0.834 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc=-0.00435 (180deg=-0.0539) USER MOD Single : A 32 GLN : amide:sc= 0.0992 X(o=0.099,f=-0.08) USER MOD Single : A 33 SER OG : rot 66:sc= 1.21 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.782 K(o=0.78,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0888 USER MOD Single : A 47 TYR OH : rot 161:sc= 1.23 USER MOD Single : A 48 HIS : no HE2:sc= -3.34! K(o=-3.3!,f=-2.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -170:sc= 0.315 USER MOD Single : A 66 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-3.4!) USER MOD Single : A 72 GLN : amide:sc= -0.0169 K(o=-0.017,f=-4.4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.277 -14.093 -10.059 1.00 5.13 N ATOM 2 CA MET A 1 -5.949 -14.750 -10.121 1.00 4.40 C ATOM 3 C MET A 1 -4.995 -14.000 -9.182 1.00 3.52 C ATOM 4 O MET A 1 -5.486 -13.357 -8.263 1.00 3.79 O ATOM 5 CB MET A 1 -5.447 -14.834 -11.575 1.00 4.56 C ATOM 6 CG MET A 1 -4.503 -16.028 -11.777 1.00 5.68 C ATOM 7 SD MET A 1 -3.487 -15.933 -13.270 1.00 6.68 S ATOM 8 CE MET A 1 -4.713 -16.263 -14.564 1.00 7.05 C ATOM 0 H1 MET A 1 -7.661 -13.994 -11.021 1.00 5.13 H new ATOM 0 H2 MET A 1 -7.924 -14.671 -9.486 1.00 5.13 H new ATOM 0 H3 MET A 1 -7.179 -13.152 -9.627 1.00 5.13 H new ATOM 0 HA MET A 1 -6.010 -15.783 -9.779 1.00 4.40 H new ATOM 0 HB2 MET A 1 -6.298 -14.924 -12.250 1.00 4.56 H new ATOM 0 HB3 MET A 1 -4.929 -13.911 -11.836 1.00 4.56 H new ATOM 0 HG2 MET A 1 -3.847 -16.108 -10.910 1.00 5.68 H new ATOM 0 HG3 MET A 1 -5.096 -16.942 -11.813 1.00 5.68 H new ATOM 0 HE1 MET A 1 -4.228 -16.236 -15.540 1.00 7.05 H new ATOM 0 HE2 MET A 1 -5.154 -17.247 -14.405 1.00 7.05 H new ATOM 0 HE3 MET A 1 -5.495 -15.505 -14.526 1.00 7.05 H new ATOM 20 N ALA A 2 -3.672 -14.041 -9.382 1.00 3.34 N ATOM 21 CA ALA A 2 -2.750 -13.095 -8.754 1.00 3.01 C ATOM 22 C ALA A 2 -2.875 -11.744 -9.482 1.00 2.31 C ATOM 23 O ALA A 2 -2.762 -11.692 -10.703 1.00 2.33 O ATOM 24 CB ALA A 2 -1.330 -13.672 -8.829 1.00 3.85 C ATOM 0 H ALA A 2 -3.215 -14.728 -9.981 1.00 3.34 H new ATOM 0 HA ALA A 2 -2.986 -12.934 -7.702 1.00 3.01 H new ATOM 0 HB1 ALA A 2 -0.630 -12.978 -8.364 1.00 3.85 H new ATOM 0 HB2 ALA A 2 -1.297 -14.626 -8.304 1.00 3.85 H new ATOM 0 HB3 ALA A 2 -1.053 -13.822 -9.872 1.00 3.85 H new ATOM 30 N GLN A 3 -3.176 -10.667 -8.757 1.00 2.14 N ATOM 31 CA GLN A 3 -3.607 -9.397 -9.353 1.00 1.51 C ATOM 32 C GLN A 3 -3.092 -8.232 -8.501 1.00 1.12 C ATOM 33 O GLN A 3 -3.840 -7.574 -7.780 1.00 1.15 O ATOM 34 CB GLN A 3 -5.128 -9.431 -9.626 1.00 1.78 C ATOM 35 CG GLN A 3 -6.045 -9.867 -8.458 1.00 2.67 C ATOM 36 CD GLN A 3 -7.346 -10.525 -8.942 1.00 3.31 C ATOM 37 OE1 GLN A 3 -7.363 -11.394 -9.812 1.00 3.40 O ATOM 38 NE2 GLN A 3 -8.487 -10.184 -8.381 1.00 4.44 N ATOM 0 H GLN A 3 -3.129 -10.648 -7.738 1.00 2.14 H new ATOM 0 HA GLN A 3 -3.164 -9.238 -10.336 1.00 1.51 H new ATOM 0 HB2 GLN A 3 -5.437 -8.435 -9.945 1.00 1.78 H new ATOM 0 HB3 GLN A 3 -5.306 -10.104 -10.465 1.00 1.78 H new ATOM 0 HG2 GLN A 3 -5.505 -10.565 -7.818 1.00 2.67 H new ATOM 0 HG3 GLN A 3 -6.287 -8.997 -7.847 1.00 2.67 H new ATOM 0 HE21 GLN A 3 -8.505 -9.466 -7.656 1.00 4.44 H new ATOM 0 HE22 GLN A 3 -9.353 -10.637 -8.671 1.00 4.44 H new ATOM 47 N THR A 4 -1.763 -8.065 -8.510 1.00 1.15 N ATOM 48 CA THR A 4 -1.026 -7.185 -7.599 1.00 1.00 C ATOM 49 C THR A 4 -0.597 -5.899 -8.296 1.00 1.04 C ATOM 50 O THR A 4 -0.003 -5.902 -9.377 1.00 1.47 O ATOM 51 CB THR A 4 0.143 -7.936 -6.933 1.00 1.13 C ATOM 52 OG1 THR A 4 0.844 -7.033 -6.124 1.00 1.25 O ATOM 53 CG2 THR A 4 1.150 -8.558 -7.904 1.00 1.48 C ATOM 0 H THR A 4 -1.156 -8.552 -9.170 1.00 1.15 H new ATOM 0 HA THR A 4 -1.695 -6.881 -6.794 1.00 1.00 H new ATOM 0 HB THR A 4 -0.310 -8.758 -6.379 1.00 1.13 H new ATOM 0 HG1 THR A 4 1.468 -6.516 -6.675 1.00 1.25 H new ATOM 0 HG21 THR A 4 1.934 -9.064 -7.341 1.00 1.48 H new ATOM 0 HG22 THR A 4 0.641 -9.279 -8.544 1.00 1.48 H new ATOM 0 HG23 THR A 4 1.593 -7.775 -8.520 1.00 1.48 H new ATOM 61 N ILE A 5 -0.877 -4.776 -7.638 1.00 0.74 N ATOM 62 CA ILE A 5 -0.325 -3.478 -8.004 1.00 0.80 C ATOM 63 C ILE A 5 1.120 -3.477 -7.511 1.00 0.65 C ATOM 64 O ILE A 5 1.375 -3.668 -6.320 1.00 0.64 O ATOM 65 CB ILE A 5 -1.140 -2.304 -7.416 1.00 0.97 C ATOM 66 CG1 ILE A 5 -2.667 -2.435 -7.624 1.00 1.35 C ATOM 67 CG2 ILE A 5 -0.635 -0.983 -8.022 1.00 1.03 C ATOM 68 CD1 ILE A 5 -3.139 -2.582 -9.077 1.00 1.28 C ATOM 0 H ILE A 5 -1.498 -4.743 -6.830 1.00 0.74 H new ATOM 0 HA ILE A 5 -0.371 -3.331 -9.083 1.00 0.80 H new ATOM 0 HB ILE A 5 -0.984 -2.321 -6.337 1.00 0.97 H new ATOM 0 HG12 ILE A 5 -3.017 -3.299 -7.060 1.00 1.35 H new ATOM 0 HG13 ILE A 5 -3.149 -1.557 -7.194 1.00 1.35 H new ATOM 0 HG21 ILE A 5 -1.207 -0.152 -7.610 1.00 1.03 H new ATOM 0 HG22 ILE A 5 0.420 -0.852 -7.781 1.00 1.03 H new ATOM 0 HG23 ILE A 5 -0.760 -1.008 -9.105 1.00 1.03 H new ATOM 0 HD11 ILE A 5 -4.226 -2.666 -9.100 1.00 1.28 H new ATOM 0 HD12 ILE A 5 -2.830 -1.708 -9.650 1.00 1.28 H new ATOM 0 HD13 ILE A 5 -2.697 -3.477 -9.514 1.00 1.28 H new ATOM 80 N ASN A 6 2.032 -3.307 -8.464 1.00 0.70 N ATOM 81 CA ASN A 6 3.479 -3.280 -8.283 1.00 0.70 C ATOM 82 C ASN A 6 3.976 -1.867 -8.632 1.00 0.58 C ATOM 83 O ASN A 6 4.141 -1.501 -9.807 1.00 0.87 O ATOM 84 CB ASN A 6 4.122 -4.406 -9.121 1.00 1.07 C ATOM 85 CG ASN A 6 3.752 -4.382 -10.606 1.00 1.37 C ATOM 86 OD1 ASN A 6 4.528 -3.956 -11.450 1.00 2.25 O ATOM 87 ND2 ASN A 6 2.550 -4.794 -10.972 1.00 1.65 N ATOM 0 H ASN A 6 1.765 -3.177 -9.440 1.00 0.70 H new ATOM 0 HA ASN A 6 3.770 -3.477 -7.251 1.00 0.70 H new ATOM 0 HB2 ASN A 6 5.206 -4.337 -9.028 1.00 1.07 H new ATOM 0 HB3 ASN A 6 3.827 -5.368 -8.701 1.00 1.07 H new ATOM 0 HD21 ASN A 6 2.275 -4.755 -11.953 1.00 1.65 H new ATOM 0 HD22 ASN A 6 1.898 -5.150 -10.273 1.00 1.65 H new ATOM 94 N LEU A 7 4.122 -1.031 -7.606 1.00 0.46 N ATOM 95 CA LEU A 7 4.367 0.410 -7.724 1.00 0.42 C ATOM 96 C LEU A 7 5.381 0.882 -6.676 1.00 0.40 C ATOM 97 O LEU A 7 5.939 0.072 -5.947 1.00 0.46 O ATOM 98 CB LEU A 7 3.024 1.181 -7.719 1.00 0.44 C ATOM 99 CG LEU A 7 2.424 1.612 -6.356 1.00 0.46 C ATOM 100 CD1 LEU A 7 1.103 2.346 -6.609 1.00 0.52 C ATOM 101 CD2 LEU A 7 2.165 0.425 -5.420 1.00 0.48 C ATOM 0 H LEU A 7 4.072 -1.345 -6.637 1.00 0.46 H new ATOM 0 HA LEU A 7 4.833 0.631 -8.684 1.00 0.42 H new ATOM 0 HB2 LEU A 7 3.155 2.079 -8.322 1.00 0.44 H new ATOM 0 HB3 LEU A 7 2.284 0.562 -8.226 1.00 0.44 H new ATOM 0 HG LEU A 7 3.151 2.259 -5.866 1.00 0.46 H new ATOM 0 HD11 LEU A 7 0.670 2.655 -5.657 1.00 0.52 H new ATOM 0 HD12 LEU A 7 1.288 3.225 -7.226 1.00 0.52 H new ATOM 0 HD13 LEU A 7 0.410 1.681 -7.124 1.00 0.52 H new ATOM 0 HD21 LEU A 7 1.745 0.787 -4.481 1.00 0.48 H new ATOM 0 HD22 LEU A 7 1.463 -0.263 -5.891 1.00 0.48 H new ATOM 0 HD23 LEU A 7 3.103 -0.094 -5.222 1.00 0.48 H new ATOM 113 N GLN A 8 5.656 2.176 -6.621 1.00 0.45 N ATOM 114 CA GLN A 8 6.468 2.819 -5.602 1.00 0.42 C ATOM 115 C GLN A 8 5.639 3.799 -4.781 1.00 0.41 C ATOM 116 O GLN A 8 4.527 4.181 -5.150 1.00 0.49 O ATOM 117 CB GLN A 8 7.693 3.462 -6.265 1.00 0.45 C ATOM 118 CG GLN A 8 8.793 2.413 -6.477 1.00 0.62 C ATOM 119 CD GLN A 8 9.858 2.878 -7.456 1.00 0.88 C ATOM 120 OE1 GLN A 8 10.111 2.252 -8.472 1.00 1.38 O ATOM 121 NE2 GLN A 8 10.492 4.004 -7.232 1.00 1.04 N ATOM 0 H GLN A 8 5.304 2.834 -7.316 1.00 0.45 H new ATOM 0 HA GLN A 8 6.832 2.078 -4.891 1.00 0.42 H new ATOM 0 HB2 GLN A 8 7.409 3.901 -7.222 1.00 0.45 H new ATOM 0 HB3 GLN A 8 8.069 4.273 -5.642 1.00 0.45 H new ATOM 0 HG2 GLN A 8 9.260 2.182 -5.520 1.00 0.62 H new ATOM 0 HG3 GLN A 8 8.345 1.490 -6.844 1.00 0.62 H new ATOM 0 HE21 GLN A 8 10.294 4.542 -6.388 1.00 1.04 H new ATOM 0 HE22 GLN A 8 11.183 4.342 -7.902 1.00 1.04 H new ATOM 130 N LEU A 9 6.182 4.160 -3.622 1.00 0.40 N ATOM 131 CA LEU A 9 5.481 4.884 -2.570 1.00 0.40 C ATOM 132 C LEU A 9 6.260 6.171 -2.250 1.00 0.49 C ATOM 133 O LEU A 9 7.480 6.167 -2.120 1.00 0.83 O ATOM 134 CB LEU A 9 5.309 3.967 -1.333 1.00 0.45 C ATOM 135 CG LEU A 9 3.884 3.436 -1.101 1.00 1.05 C ATOM 136 CD1 LEU A 9 3.344 2.673 -2.319 1.00 2.27 C ATOM 137 CD2 LEU A 9 3.896 2.537 0.144 1.00 2.10 C ATOM 0 H LEU A 9 7.151 3.950 -3.383 1.00 0.40 H new ATOM 0 HA LEU A 9 4.481 5.172 -2.894 1.00 0.40 H new ATOM 0 HB2 LEU A 9 5.984 3.117 -1.435 1.00 0.45 H new ATOM 0 HB3 LEU A 9 5.622 4.518 -0.446 1.00 0.45 H new ATOM 0 HG LEU A 9 3.215 4.283 -0.948 1.00 1.05 H new ATOM 0 HD11 LEU A 9 2.336 2.317 -2.108 1.00 2.27 H new ATOM 0 HD12 LEU A 9 3.321 3.337 -3.183 1.00 2.27 H new ATOM 0 HD13 LEU A 9 3.991 1.822 -2.532 1.00 2.27 H new ATOM 0 HD21 LEU A 9 2.893 2.151 0.324 1.00 2.10 H new ATOM 0 HD22 LEU A 9 4.582 1.705 -0.015 1.00 2.10 H new ATOM 0 HD23 LEU A 9 4.222 3.116 1.008 1.00 2.10 H new ATOM 149 N GLU A 10 5.553 7.287 -2.141 1.00 0.57 N ATOM 150 CA GLU A 10 6.104 8.642 -2.184 1.00 0.65 C ATOM 151 C GLU A 10 6.146 9.258 -0.788 1.00 0.70 C ATOM 152 O GLU A 10 5.172 9.160 -0.047 1.00 0.74 O ATOM 153 CB GLU A 10 5.208 9.472 -3.104 1.00 0.96 C ATOM 154 CG GLU A 10 5.826 10.775 -3.610 1.00 1.60 C ATOM 155 CD GLU A 10 5.093 11.200 -4.881 1.00 2.12 C ATOM 156 OE1 GLU A 10 3.922 11.631 -4.759 1.00 3.33 O ATOM 157 OE2 GLU A 10 5.694 10.987 -5.961 1.00 2.63 O ATOM 0 H GLU A 10 4.541 7.277 -2.015 1.00 0.57 H new ATOM 0 HA GLU A 10 7.127 8.620 -2.559 1.00 0.65 H new ATOM 0 HB2 GLU A 10 4.932 8.861 -3.964 1.00 0.96 H new ATOM 0 HB3 GLU A 10 4.287 9.708 -2.572 1.00 0.96 H new ATOM 0 HG2 GLU A 10 5.746 11.552 -2.850 1.00 1.60 H new ATOM 0 HG3 GLU A 10 6.888 10.636 -3.814 1.00 1.60 H new ATOM 164 N GLY A 11 7.277 9.865 -0.415 1.00 1.18 N ATOM 165 CA GLY A 11 7.515 10.389 0.939 1.00 1.56 C ATOM 166 C GLY A 11 7.834 9.306 1.976 1.00 1.36 C ATOM 167 O GLY A 11 8.183 9.634 3.110 1.00 1.71 O ATOM 0 H GLY A 11 8.063 10.009 -1.049 1.00 1.18 H new ATOM 0 HA2 GLY A 11 8.341 11.099 0.903 1.00 1.56 H new ATOM 0 HA3 GLY A 11 6.634 10.942 1.264 1.00 1.56 H new ATOM 171 N MET A 12 7.730 8.023 1.603 1.00 1.17 N ATOM 172 CA MET A 12 7.843 6.886 2.518 1.00 1.27 C ATOM 173 C MET A 12 9.233 6.808 3.169 1.00 1.59 C ATOM 174 O MET A 12 10.226 6.488 2.519 1.00 2.49 O ATOM 175 CB MET A 12 7.372 5.597 1.812 1.00 1.94 C ATOM 176 CG MET A 12 8.319 5.039 0.737 1.00 2.09 C ATOM 177 SD MET A 12 9.273 3.603 1.272 1.00 2.65 S ATOM 178 CE MET A 12 8.028 2.322 0.964 1.00 4.20 C ATOM 0 H MET A 12 7.562 7.744 0.636 1.00 1.17 H new ATOM 0 HA MET A 12 7.172 7.026 3.365 1.00 1.27 H new ATOM 0 HB2 MET A 12 7.217 4.827 2.568 1.00 1.94 H new ATOM 0 HB3 MET A 12 6.403 5.791 1.351 1.00 1.94 H new ATOM 0 HG2 MET A 12 7.734 4.767 -0.142 1.00 2.09 H new ATOM 0 HG3 MET A 12 9.008 5.826 0.430 1.00 2.09 H new ATOM 0 HE1 MET A 12 8.291 1.419 1.515 1.00 4.20 H new ATOM 0 HE2 MET A 12 7.051 2.677 1.293 1.00 4.20 H new ATOM 0 HE3 MET A 12 7.992 2.098 -0.102 1.00 4.20 H new ATOM 188 N ARG A 13 9.317 7.147 4.463 1.00 1.54 N ATOM 189 CA ARG A 13 10.573 7.139 5.235 1.00 2.18 C ATOM 190 C ARG A 13 10.383 6.647 6.671 1.00 2.27 C ATOM 191 O ARG A 13 11.152 5.806 7.131 1.00 3.39 O ATOM 192 CB ARG A 13 11.224 8.539 5.277 1.00 2.70 C ATOM 193 CG ARG A 13 11.729 9.157 3.956 1.00 3.08 C ATOM 194 CD ARG A 13 12.728 8.365 3.090 1.00 4.85 C ATOM 195 NE ARG A 13 13.566 7.403 3.841 1.00 6.24 N ATOM 196 CZ ARG A 13 13.603 6.085 3.643 1.00 7.84 C ATOM 197 NH1 ARG A 13 12.815 5.468 2.793 1.00 8.38 N ATOM 198 NH2 ARG A 13 14.427 5.325 4.331 1.00 9.36 N ATOM 0 H ARG A 13 8.508 7.438 5.011 1.00 1.54 H new ATOM 0 HA ARG A 13 11.228 6.442 4.713 1.00 2.18 H new ATOM 0 HB2 ARG A 13 10.499 9.229 5.710 1.00 2.70 H new ATOM 0 HB3 ARG A 13 12.068 8.491 5.965 1.00 2.70 H new ATOM 0 HG2 ARG A 13 10.856 9.370 3.339 1.00 3.08 H new ATOM 0 HG3 ARG A 13 12.191 10.115 4.197 1.00 3.08 H new ATOM 0 HD2 ARG A 13 12.174 7.823 2.323 1.00 4.85 H new ATOM 0 HD3 ARG A 13 13.380 9.070 2.574 1.00 4.85 H new ATOM 0 HE ARG A 13 14.167 7.781 4.573 1.00 6.24 H new ATOM 0 HH11 ARG A 13 12.136 6.000 2.248 1.00 8.38 H new ATOM 0 HH12 ARG A 13 12.882 4.457 2.677 1.00 8.38 H new ATOM 0 HH21 ARG A 13 15.047 5.743 5.025 1.00 9.36 H new ATOM 0 HH22 ARG A 13 14.446 4.318 4.171 1.00 9.36 H new ATOM 212 N CYS A 14 9.377 7.157 7.385 1.00 1.83 N ATOM 213 CA CYS A 14 9.083 6.754 8.757 1.00 2.27 C ATOM 214 C CYS A 14 8.413 5.371 8.781 1.00 2.62 C ATOM 215 O CYS A 14 7.355 5.157 8.172 1.00 3.51 O ATOM 216 CB CYS A 14 8.237 7.842 9.442 1.00 3.19 C ATOM 217 SG CYS A 14 9.147 9.416 9.438 1.00 3.50 S ATOM 0 H CYS A 14 8.740 7.866 7.022 1.00 1.83 H new ATOM 0 HA CYS A 14 10.009 6.656 9.323 1.00 2.27 H new ATOM 0 HB2 CYS A 14 7.286 7.959 8.922 1.00 3.19 H new ATOM 0 HB3 CYS A 14 8.006 7.547 10.465 1.00 3.19 H new ATOM 0 HG CYS A 14 8.429 10.334 10.015 1.00 3.50 H new ATOM 223 N ALA A 15 9.034 4.448 9.520 1.00 2.73 N ATOM 224 CA ALA A 15 8.395 3.220 9.986 1.00 3.45 C ATOM 225 C ALA A 15 7.227 3.553 10.932 1.00 2.13 C ATOM 226 O ALA A 15 7.052 4.707 11.322 1.00 2.53 O ATOM 227 CB ALA A 15 9.457 2.333 10.650 1.00 5.33 C ATOM 0 H ALA A 15 10.007 4.536 9.814 1.00 2.73 H new ATOM 0 HA ALA A 15 7.968 2.669 9.148 1.00 3.45 H new ATOM 0 HB1 ALA A 15 8.993 1.412 11.003 1.00 5.33 H new ATOM 0 HB2 ALA A 15 10.235 2.093 9.926 1.00 5.33 H new ATOM 0 HB3 ALA A 15 9.898 2.863 11.494 1.00 5.33 H new ATOM 233 N ALA A 16 6.394 2.554 11.243 1.00 2.34 N ATOM 234 CA ALA A 16 5.103 2.675 11.938 1.00 1.91 C ATOM 235 C ALA A 16 4.059 3.339 11.027 1.00 1.55 C ATOM 236 O ALA A 16 3.058 2.705 10.707 1.00 1.98 O ATOM 237 CB ALA A 16 5.241 3.363 13.309 1.00 1.85 C ATOM 0 H ALA A 16 6.612 1.586 11.005 1.00 2.34 H new ATOM 0 HA ALA A 16 4.740 1.671 12.159 1.00 1.91 H new ATOM 0 HB1 ALA A 16 4.262 3.429 13.783 1.00 1.85 H new ATOM 0 HB2 ALA A 16 5.912 2.782 13.942 1.00 1.85 H new ATOM 0 HB3 ALA A 16 5.647 4.365 13.174 1.00 1.85 H new ATOM 243 N CYS A 17 4.331 4.545 10.513 1.00 1.15 N ATOM 244 CA CYS A 17 3.544 5.220 9.477 1.00 1.14 C ATOM 245 C CYS A 17 3.367 4.307 8.254 1.00 1.08 C ATOM 246 O CYS A 17 2.238 3.967 7.908 1.00 1.14 O ATOM 247 CB CYS A 17 4.235 6.548 9.118 1.00 1.49 C ATOM 248 SG CYS A 17 4.457 7.578 10.596 1.00 2.29 S ATOM 0 H CYS A 17 5.133 5.096 10.819 1.00 1.15 H new ATOM 0 HA CYS A 17 2.543 5.441 9.848 1.00 1.14 H new ATOM 0 HB2 CYS A 17 5.204 6.347 8.660 1.00 1.49 H new ATOM 0 HB3 CYS A 17 3.639 7.086 8.380 1.00 1.49 H new ATOM 0 HG CYS A 17 5.044 8.690 10.266 1.00 2.29 H new ATOM 254 N ALA A 18 4.470 3.832 7.656 1.00 1.05 N ATOM 255 CA ALA A 18 4.419 2.870 6.546 1.00 1.07 C ATOM 256 C ALA A 18 3.803 1.509 6.938 1.00 1.05 C ATOM 257 O ALA A 18 3.009 0.937 6.203 1.00 0.85 O ATOM 258 CB ALA A 18 5.841 2.685 6.001 1.00 1.11 C ATOM 0 H ALA A 18 5.416 4.102 7.926 1.00 1.05 H new ATOM 0 HA ALA A 18 3.759 3.277 5.780 1.00 1.07 H new ATOM 0 HB1 ALA A 18 5.825 1.974 5.175 1.00 1.11 H new ATOM 0 HB2 ALA A 18 6.223 3.643 5.647 1.00 1.11 H new ATOM 0 HB3 ALA A 18 6.488 2.307 6.793 1.00 1.11 H new ATOM 264 N SER A 19 4.121 0.992 8.121 1.00 1.31 N ATOM 265 CA SER A 19 3.616 -0.291 8.637 1.00 1.36 C ATOM 266 C SER A 19 2.095 -0.284 8.857 1.00 1.05 C ATOM 267 O SER A 19 1.432 -1.302 8.665 1.00 0.86 O ATOM 268 CB SER A 19 4.311 -0.577 9.983 1.00 2.09 C ATOM 269 OG SER A 19 5.687 -0.195 9.999 1.00 3.38 O ATOM 0 H SER A 19 4.753 1.461 8.770 1.00 1.31 H new ATOM 0 HA SER A 19 3.834 -1.060 7.896 1.00 1.36 H new ATOM 0 HB2 SER A 19 3.784 -0.046 10.776 1.00 2.09 H new ATOM 0 HB3 SER A 19 4.234 -1.641 10.205 1.00 2.09 H new ATOM 0 HG SER A 19 6.073 -0.399 10.877 1.00 3.38 H new ATOM 275 N SER A 20 1.525 0.868 9.224 1.00 1.10 N ATOM 276 CA SER A 20 0.084 1.083 9.328 1.00 1.04 C ATOM 277 C SER A 20 -0.632 1.198 7.968 1.00 0.85 C ATOM 278 O SER A 20 -1.860 1.294 7.959 1.00 0.99 O ATOM 279 CB SER A 20 -0.216 2.314 10.195 1.00 1.30 C ATOM 280 OG SER A 20 -1.612 2.377 10.431 1.00 2.00 O ATOM 0 H SER A 20 2.070 1.696 9.463 1.00 1.10 H new ATOM 0 HA SER A 20 -0.317 0.189 9.805 1.00 1.04 H new ATOM 0 HB2 SER A 20 0.324 2.251 11.140 1.00 1.30 H new ATOM 0 HB3 SER A 20 0.123 3.220 9.694 1.00 1.30 H new ATOM 0 HG SER A 20 -2.085 1.884 9.728 1.00 2.00 H new ATOM 286 N ILE A 21 0.090 1.191 6.840 1.00 0.66 N ATOM 287 CA ILE A 21 -0.474 0.852 5.519 1.00 0.53 C ATOM 288 C ILE A 21 -0.761 -0.648 5.525 1.00 0.54 C ATOM 289 O ILE A 21 -1.916 -1.058 5.606 1.00 0.58 O ATOM 290 CB ILE A 21 0.482 1.258 4.361 1.00 0.51 C ATOM 291 CG1 ILE A 21 0.801 2.767 4.398 1.00 0.51 C ATOM 292 CG2 ILE A 21 -0.080 0.824 2.999 1.00 0.59 C ATOM 293 CD1 ILE A 21 1.869 3.206 3.389 1.00 0.61 C ATOM 0 H ILE A 21 1.084 1.420 6.813 1.00 0.66 H new ATOM 0 HA ILE A 21 -1.393 1.411 5.343 1.00 0.53 H new ATOM 0 HB ILE A 21 1.424 0.729 4.505 1.00 0.51 H new ATOM 0 HG12 ILE A 21 -0.115 3.326 4.207 1.00 0.51 H new ATOM 0 HG13 ILE A 21 1.133 3.033 5.401 1.00 0.51 H new ATOM 0 HG21 ILE A 21 0.610 1.121 2.209 1.00 0.59 H new ATOM 0 HG22 ILE A 21 -0.203 -0.259 2.985 1.00 0.59 H new ATOM 0 HG23 ILE A 21 -1.046 1.301 2.835 1.00 0.59 H new ATOM 0 HD11 ILE A 21 2.035 4.280 3.479 1.00 0.61 H new ATOM 0 HD12 ILE A 21 2.800 2.677 3.591 1.00 0.61 H new ATOM 0 HD13 ILE A 21 1.532 2.974 2.379 1.00 0.61 H new ATOM 305 N GLU A 22 0.297 -1.457 5.542 1.00 0.56 N ATOM 306 CA GLU A 22 0.250 -2.915 5.451 1.00 0.60 C ATOM 307 C GLU A 22 -0.723 -3.532 6.467 1.00 0.57 C ATOM 308 O GLU A 22 -1.649 -4.260 6.109 1.00 0.57 O ATOM 309 CB GLU A 22 1.683 -3.445 5.637 1.00 0.74 C ATOM 310 CG GLU A 22 2.614 -2.962 4.507 1.00 0.82 C ATOM 311 CD GLU A 22 3.680 -3.992 4.143 1.00 0.91 C ATOM 312 OE1 GLU A 22 3.288 -5.148 3.893 1.00 2.11 O ATOM 313 OE2 GLU A 22 4.872 -3.625 4.024 1.00 1.94 O ATOM 0 H GLU A 22 1.249 -1.100 5.623 1.00 0.56 H new ATOM 0 HA GLU A 22 -0.132 -3.206 4.473 1.00 0.60 H new ATOM 0 HB2 GLU A 22 2.073 -3.112 6.599 1.00 0.74 H new ATOM 0 HB3 GLU A 22 1.669 -4.535 5.658 1.00 0.74 H new ATOM 0 HG2 GLU A 22 2.018 -2.734 3.623 1.00 0.82 H new ATOM 0 HG3 GLU A 22 3.099 -2.035 4.813 1.00 0.82 H new ATOM 320 N ARG A 23 -0.600 -3.167 7.747 1.00 0.58 N ATOM 321 CA ARG A 23 -1.440 -3.706 8.825 1.00 0.63 C ATOM 322 C ARG A 23 -2.903 -3.235 8.772 1.00 0.65 C ATOM 323 O ARG A 23 -3.779 -3.889 9.346 1.00 0.73 O ATOM 324 CB ARG A 23 -0.783 -3.357 10.169 1.00 0.73 C ATOM 325 CG ARG A 23 -1.342 -4.116 11.386 1.00 0.94 C ATOM 326 CD ARG A 23 -1.292 -5.646 11.233 1.00 1.68 C ATOM 327 NE ARG A 23 -1.814 -6.333 12.429 1.00 1.96 N ATOM 328 CZ ARG A 23 -1.158 -6.583 13.556 1.00 2.17 C ATOM 329 NH1 ARG A 23 0.097 -6.224 13.729 1.00 2.97 N ATOM 330 NH2 ARG A 23 -1.770 -7.204 14.539 1.00 2.47 N ATOM 0 H ARG A 23 0.088 -2.486 8.068 1.00 0.58 H new ATOM 0 HA ARG A 23 -1.498 -4.787 8.697 1.00 0.63 H new ATOM 0 HB2 ARG A 23 0.286 -3.556 10.096 1.00 0.73 H new ATOM 0 HB3 ARG A 23 -0.896 -2.287 10.344 1.00 0.73 H new ATOM 0 HG2 ARG A 23 -0.778 -3.829 12.273 1.00 0.94 H new ATOM 0 HG3 ARG A 23 -2.375 -3.809 11.552 1.00 0.94 H new ATOM 0 HD2 ARG A 23 -1.873 -5.943 10.360 1.00 1.68 H new ATOM 0 HD3 ARG A 23 -0.264 -5.960 11.053 1.00 1.68 H new ATOM 0 HE ARG A 23 -2.783 -6.650 12.386 1.00 1.96 H new ATOM 0 HH11 ARG A 23 0.596 -5.738 12.984 1.00 2.97 H new ATOM 0 HH12 ARG A 23 0.570 -6.432 14.608 1.00 2.97 H new ATOM 0 HH21 ARG A 23 -2.743 -7.491 14.434 1.00 2.47 H new ATOM 0 HH22 ARG A 23 -1.272 -7.399 15.407 1.00 2.47 H new ATOM 344 N ALA A 24 -3.183 -2.107 8.111 1.00 0.65 N ATOM 345 CA ALA A 24 -4.549 -1.688 7.793 1.00 0.69 C ATOM 346 C ALA A 24 -5.093 -2.472 6.590 1.00 0.66 C ATOM 347 O ALA A 24 -6.180 -3.044 6.685 1.00 0.81 O ATOM 348 CB ALA A 24 -4.590 -0.171 7.559 1.00 0.74 C ATOM 0 H ALA A 24 -2.467 -1.459 7.782 1.00 0.65 H new ATOM 0 HA ALA A 24 -5.199 -1.913 8.639 1.00 0.69 H new ATOM 0 HB1 ALA A 24 -5.610 0.133 7.323 1.00 0.74 H new ATOM 0 HB2 ALA A 24 -4.257 0.345 8.459 1.00 0.74 H new ATOM 0 HB3 ALA A 24 -3.933 0.087 6.728 1.00 0.74 H new ATOM 354 N ILE A 25 -4.322 -2.531 5.498 1.00 0.55 N ATOM 355 CA ILE A 25 -4.691 -3.187 4.231 1.00 0.52 C ATOM 356 C ILE A 25 -4.892 -4.690 4.421 1.00 0.52 C ATOM 357 O ILE A 25 -5.741 -5.267 3.748 1.00 0.59 O ATOM 358 CB ILE A 25 -3.674 -2.852 3.110 1.00 0.63 C ATOM 359 CG1 ILE A 25 -3.767 -1.347 2.763 1.00 0.79 C ATOM 360 CG2 ILE A 25 -3.953 -3.697 1.851 1.00 0.78 C ATOM 361 CD1 ILE A 25 -2.784 -0.889 1.681 1.00 1.13 C ATOM 0 H ILE A 25 -3.393 -2.111 5.467 1.00 0.55 H new ATOM 0 HA ILE A 25 -5.652 -2.787 3.907 1.00 0.52 H new ATOM 0 HB ILE A 25 -2.670 -3.085 3.465 1.00 0.63 H new ATOM 0 HG12 ILE A 25 -4.782 -1.124 2.434 1.00 0.79 H new ATOM 0 HG13 ILE A 25 -3.590 -0.766 3.668 1.00 0.79 H new ATOM 0 HG21 ILE A 25 -3.228 -3.446 1.077 1.00 0.78 H new ATOM 0 HG22 ILE A 25 -3.869 -4.756 2.097 1.00 0.78 H new ATOM 0 HG23 ILE A 25 -4.959 -3.487 1.488 1.00 0.78 H new ATOM 0 HD11 ILE A 25 -2.915 0.178 1.498 1.00 1.13 H new ATOM 0 HD12 ILE A 25 -1.763 -1.077 2.014 1.00 1.13 H new ATOM 0 HD13 ILE A 25 -2.973 -1.441 0.760 1.00 1.13 H new ATOM 373 N ALA A 26 -4.255 -5.283 5.429 1.00 0.50 N ATOM 374 CA ALA A 26 -4.520 -6.642 5.917 1.00 0.53 C ATOM 375 C ALA A 26 -6.010 -6.987 6.163 1.00 0.63 C ATOM 376 O ALA A 26 -6.334 -8.158 6.333 1.00 0.82 O ATOM 377 CB ALA A 26 -3.674 -6.856 7.178 1.00 0.51 C ATOM 0 H ALA A 26 -3.512 -4.816 5.950 1.00 0.50 H new ATOM 0 HA ALA A 26 -4.239 -7.333 5.122 1.00 0.53 H new ATOM 0 HB1 ALA A 26 -3.848 -7.859 7.567 1.00 0.51 H new ATOM 0 HB2 ALA A 26 -2.618 -6.740 6.932 1.00 0.51 H new ATOM 0 HB3 ALA A 26 -3.953 -6.121 7.933 1.00 0.51 H new ATOM 383 N LYS A 27 -6.935 -6.013 6.203 1.00 0.64 N ATOM 384 CA LYS A 27 -8.380 -6.239 6.233 1.00 0.85 C ATOM 385 C LYS A 27 -9.133 -5.966 4.903 1.00 0.79 C ATOM 386 O LYS A 27 -10.353 -6.109 4.879 1.00 0.87 O ATOM 387 CB LYS A 27 -8.937 -5.372 7.369 1.00 1.01 C ATOM 388 CG LYS A 27 -8.473 -5.870 8.744 1.00 1.41 C ATOM 389 CD LYS A 27 -7.136 -5.350 9.298 1.00 1.77 C ATOM 390 CE LYS A 27 -7.116 -3.834 9.543 1.00 1.77 C ATOM 391 NZ LYS A 27 -8.168 -3.396 10.494 1.00 2.54 N ATOM 0 H LYS A 27 -6.687 -5.024 6.216 1.00 0.64 H new ATOM 0 HA LYS A 27 -8.546 -7.304 6.395 1.00 0.85 H new ATOM 0 HB2 LYS A 27 -8.617 -4.340 7.229 1.00 1.01 H new ATOM 0 HB3 LYS A 27 -10.026 -5.376 7.329 1.00 1.01 H new ATOM 0 HG2 LYS A 27 -9.251 -5.622 9.466 1.00 1.41 H new ATOM 0 HG3 LYS A 27 -8.414 -6.958 8.700 1.00 1.41 H new ATOM 0 HD2 LYS A 27 -6.917 -5.863 10.234 1.00 1.77 H new ATOM 0 HD3 LYS A 27 -6.339 -5.607 8.600 1.00 1.77 H new ATOM 0 HE2 LYS A 27 -6.139 -3.545 9.930 1.00 1.77 H new ATOM 0 HE3 LYS A 27 -7.250 -3.314 8.594 1.00 1.77 H new ATOM 0 HZ1 LYS A 27 -8.038 -2.388 10.716 1.00 2.54 H new ATOM 0 HZ2 LYS A 27 -9.105 -3.537 10.065 1.00 2.54 H new ATOM 0 HZ3 LYS A 27 -8.100 -3.955 11.368 1.00 2.54 H new ATOM 405 N VAL A 28 -8.472 -5.536 3.826 1.00 0.72 N ATOM 406 CA VAL A 28 -9.129 -5.145 2.561 1.00 0.78 C ATOM 407 C VAL A 28 -9.623 -6.397 1.823 1.00 0.90 C ATOM 408 O VAL A 28 -8.857 -7.357 1.706 1.00 0.84 O ATOM 409 CB VAL A 28 -8.183 -4.293 1.677 1.00 0.81 C ATOM 410 CG1 VAL A 28 -8.679 -4.068 0.239 1.00 1.10 C ATOM 411 CG2 VAL A 28 -7.989 -2.912 2.327 1.00 1.05 C ATOM 0 H VAL A 28 -7.456 -5.446 3.800 1.00 0.72 H new ATOM 0 HA VAL A 28 -9.992 -4.520 2.791 1.00 0.78 H new ATOM 0 HB VAL A 28 -7.255 -4.861 1.611 1.00 0.81 H new ATOM 0 HG11 VAL A 28 -7.954 -3.462 -0.305 1.00 1.10 H new ATOM 0 HG12 VAL A 28 -8.796 -5.030 -0.260 1.00 1.10 H new ATOM 0 HG13 VAL A 28 -9.639 -3.552 0.262 1.00 1.10 H new ATOM 0 HG21 VAL A 28 -7.324 -2.309 1.709 1.00 1.05 H new ATOM 0 HG22 VAL A 28 -8.954 -2.413 2.416 1.00 1.05 H new ATOM 0 HG23 VAL A 28 -7.551 -3.034 3.318 1.00 1.05 H new ATOM 421 N PRO A 29 -10.880 -6.426 1.326 1.00 1.19 N ATOM 422 CA PRO A 29 -11.464 -7.630 0.755 1.00 1.47 C ATOM 423 C PRO A 29 -10.657 -8.092 -0.458 1.00 1.57 C ATOM 424 O PRO A 29 -10.485 -7.354 -1.427 1.00 3.23 O ATOM 425 CB PRO A 29 -12.922 -7.293 0.414 1.00 1.82 C ATOM 426 CG PRO A 29 -12.921 -5.769 0.306 1.00 1.77 C ATOM 427 CD PRO A 29 -11.871 -5.359 1.337 1.00 1.35 C ATOM 0 HA PRO A 29 -11.441 -8.466 1.454 1.00 1.47 H new ATOM 0 HB2 PRO A 29 -13.234 -7.761 -0.520 1.00 1.82 H new ATOM 0 HB3 PRO A 29 -13.606 -7.640 1.189 1.00 1.82 H new ATOM 0 HG2 PRO A 29 -12.656 -5.434 -0.697 1.00 1.77 H new ATOM 0 HG3 PRO A 29 -13.899 -5.346 0.535 1.00 1.77 H new ATOM 0 HD2 PRO A 29 -11.420 -4.401 1.078 1.00 1.35 H new ATOM 0 HD3 PRO A 29 -12.315 -5.245 2.326 1.00 1.35 H new ATOM 435 N GLY A 30 -10.125 -9.315 -0.375 1.00 1.06 N ATOM 436 CA GLY A 30 -9.238 -9.879 -1.396 1.00 1.16 C ATOM 437 C GLY A 30 -7.760 -9.501 -1.252 1.00 0.79 C ATOM 438 O GLY A 30 -7.010 -9.752 -2.194 1.00 0.83 O ATOM 0 H GLY A 30 -10.299 -9.945 0.408 1.00 1.06 H new ATOM 0 HA2 GLY A 30 -9.324 -10.965 -1.370 1.00 1.16 H new ATOM 0 HA3 GLY A 30 -9.586 -9.555 -2.377 1.00 1.16 H new ATOM 442 N VAL A 31 -7.326 -8.935 -0.117 1.00 0.60 N ATOM 443 CA VAL A 31 -5.899 -8.898 0.278 1.00 0.50 C ATOM 444 C VAL A 31 -5.373 -10.338 0.322 1.00 0.56 C ATOM 445 O VAL A 31 -5.793 -11.143 1.151 1.00 0.75 O ATOM 446 CB VAL A 31 -5.650 -8.115 1.594 1.00 0.49 C ATOM 447 CG1 VAL A 31 -6.254 -8.747 2.859 1.00 0.85 C ATOM 448 CG2 VAL A 31 -4.143 -7.874 1.796 1.00 0.74 C ATOM 0 H VAL A 31 -7.949 -8.489 0.557 1.00 0.60 H new ATOM 0 HA VAL A 31 -5.337 -8.337 -0.468 1.00 0.50 H new ATOM 0 HB VAL A 31 -6.179 -7.171 1.463 1.00 0.49 H new ATOM 0 HG11 VAL A 31 -6.024 -8.123 3.723 1.00 0.85 H new ATOM 0 HG12 VAL A 31 -7.335 -8.825 2.746 1.00 0.85 H new ATOM 0 HG13 VAL A 31 -5.832 -9.741 3.006 1.00 0.85 H new ATOM 0 HG21 VAL A 31 -3.984 -7.324 2.723 1.00 0.74 H new ATOM 0 HG22 VAL A 31 -3.625 -8.832 1.849 1.00 0.74 H new ATOM 0 HG23 VAL A 31 -3.752 -7.296 0.959 1.00 0.74 H new ATOM 458 N GLN A 32 -4.496 -10.674 -0.624 1.00 0.56 N ATOM 459 CA GLN A 32 -3.769 -11.949 -0.602 1.00 0.71 C ATOM 460 C GLN A 32 -2.473 -11.811 0.192 1.00 0.93 C ATOM 461 O GLN A 32 -2.089 -12.758 0.866 1.00 1.44 O ATOM 462 CB GLN A 32 -3.542 -12.500 -2.020 1.00 1.17 C ATOM 463 CG GLN A 32 -2.738 -11.599 -2.971 1.00 1.57 C ATOM 464 CD GLN A 32 -1.240 -11.891 -3.059 1.00 2.31 C ATOM 465 OE1 GLN A 32 -0.820 -12.884 -3.623 1.00 2.98 O ATOM 466 NE2 GLN A 32 -0.368 -11.021 -2.590 1.00 2.79 N ATOM 0 H GLN A 32 -4.269 -10.079 -1.421 1.00 0.56 H new ATOM 0 HA GLN A 32 -4.386 -12.688 -0.090 1.00 0.71 H new ATOM 0 HB2 GLN A 32 -3.029 -13.458 -1.938 1.00 1.17 H new ATOM 0 HB3 GLN A 32 -4.514 -12.696 -2.472 1.00 1.17 H new ATOM 0 HG2 GLN A 32 -3.165 -11.686 -3.970 1.00 1.57 H new ATOM 0 HG3 GLN A 32 -2.869 -10.563 -2.657 1.00 1.57 H new ATOM 0 HE21 GLN A 32 -0.693 -10.180 -2.113 1.00 2.79 H new ATOM 0 HE22 GLN A 32 0.632 -11.189 -2.704 1.00 2.79 H new ATOM 475 N SER A 33 -1.849 -10.626 0.162 1.00 0.77 N ATOM 476 CA SER A 33 -0.698 -10.208 0.986 1.00 1.02 C ATOM 477 C SER A 33 -0.145 -8.878 0.484 1.00 0.66 C ATOM 478 O SER A 33 -0.247 -8.580 -0.712 1.00 0.65 O ATOM 479 CB SER A 33 0.451 -11.233 1.037 1.00 1.70 C ATOM 480 OG SER A 33 0.173 -12.222 2.003 1.00 2.38 O ATOM 0 H SER A 33 -2.149 -9.887 -0.474 1.00 0.77 H new ATOM 0 HA SER A 33 -1.088 -10.117 2.000 1.00 1.02 H new ATOM 0 HB2 SER A 33 0.581 -11.695 0.058 1.00 1.70 H new ATOM 0 HB3 SER A 33 1.387 -10.730 1.279 1.00 1.70 H new ATOM 0 HG SER A 33 -0.603 -12.748 1.718 1.00 2.38 H new ATOM 486 N CYS A 34 0.458 -8.128 1.410 1.00 0.72 N ATOM 487 CA CYS A 34 1.187 -6.883 1.181 1.00 0.56 C ATOM 488 C CYS A 34 2.712 -7.101 1.274 1.00 0.55 C ATOM 489 O CYS A 34 3.161 -8.201 1.610 1.00 0.91 O ATOM 490 CB CYS A 34 0.733 -5.863 2.248 1.00 0.85 C ATOM 491 SG CYS A 34 -1.074 -5.713 2.374 1.00 1.19 S ATOM 0 H CYS A 34 0.448 -8.391 2.396 1.00 0.72 H new ATOM 0 HA CYS A 34 0.971 -6.515 0.178 1.00 0.56 H new ATOM 0 HB2 CYS A 34 1.135 -6.158 3.217 1.00 0.85 H new ATOM 0 HB3 CYS A 34 1.156 -4.887 2.011 1.00 0.85 H new ATOM 0 HG CYS A 34 -1.374 -4.841 3.291 1.00 1.19 H new ATOM 497 N GLN A 35 3.464 -6.036 0.991 1.00 0.63 N ATOM 498 CA GLN A 35 4.881 -5.804 1.263 1.00 0.73 C ATOM 499 C GLN A 35 5.264 -4.448 0.665 1.00 0.63 C ATOM 500 O GLN A 35 5.003 -4.209 -0.516 1.00 0.58 O ATOM 501 CB GLN A 35 5.768 -6.935 0.707 1.00 0.87 C ATOM 502 CG GLN A 35 6.232 -7.881 1.824 1.00 1.68 C ATOM 503 CD GLN A 35 6.383 -9.316 1.330 1.00 2.21 C ATOM 504 OE1 GLN A 35 7.458 -9.794 1.011 1.00 3.09 O ATOM 505 NE2 GLN A 35 5.299 -10.052 1.236 1.00 2.31 N ATOM 0 H GLN A 35 3.051 -5.233 0.517 1.00 0.63 H new ATOM 0 HA GLN A 35 5.046 -5.796 2.340 1.00 0.73 H new ATOM 0 HB2 GLN A 35 5.214 -7.499 -0.043 1.00 0.87 H new ATOM 0 HB3 GLN A 35 6.636 -6.506 0.207 1.00 0.87 H new ATOM 0 HG2 GLN A 35 7.185 -7.532 2.222 1.00 1.68 H new ATOM 0 HG3 GLN A 35 5.515 -7.853 2.644 1.00 1.68 H new ATOM 0 HE21 GLN A 35 4.394 -9.663 1.500 1.00 2.31 H new ATOM 0 HE22 GLN A 35 5.362 -11.013 0.899 1.00 2.31 H new ATOM 514 N VAL A 36 5.888 -3.570 1.453 1.00 0.74 N ATOM 515 CA VAL A 36 6.483 -2.309 0.993 1.00 0.72 C ATOM 516 C VAL A 36 7.927 -2.171 1.507 1.00 0.89 C ATOM 517 O VAL A 36 8.266 -2.637 2.595 1.00 1.04 O ATOM 518 CB VAL A 36 5.601 -1.062 1.301 1.00 1.04 C ATOM 519 CG1 VAL A 36 4.088 -1.336 1.215 1.00 2.64 C ATOM 520 CG2 VAL A 36 5.872 -0.405 2.662 1.00 1.48 C ATOM 0 H VAL A 36 5.997 -3.719 2.456 1.00 0.74 H new ATOM 0 HA VAL A 36 6.526 -2.349 -0.095 1.00 0.72 H new ATOM 0 HB VAL A 36 5.901 -0.374 0.510 1.00 1.04 H new ATOM 0 HG11 VAL A 36 3.539 -0.422 1.442 1.00 2.64 H new ATOM 0 HG12 VAL A 36 3.835 -1.671 0.209 1.00 2.64 H new ATOM 0 HG13 VAL A 36 3.817 -2.110 1.933 1.00 2.64 H new ATOM 0 HG21 VAL A 36 5.213 0.454 2.789 1.00 1.48 H new ATOM 0 HG22 VAL A 36 5.686 -1.126 3.458 1.00 1.48 H new ATOM 0 HG23 VAL A 36 6.910 -0.075 2.707 1.00 1.48 H new ATOM 530 N ASN A 37 8.793 -1.557 0.696 1.00 0.90 N ATOM 531 CA ASN A 37 10.239 -1.503 0.900 1.00 0.95 C ATOM 532 C ASN A 37 10.706 -0.098 1.303 1.00 0.97 C ATOM 533 O ASN A 37 10.868 0.795 0.472 1.00 1.04 O ATOM 534 CB ASN A 37 10.936 -1.987 -0.380 1.00 1.01 C ATOM 535 CG ASN A 37 12.449 -2.118 -0.225 1.00 1.22 C ATOM 536 OD1 ASN A 37 13.109 -1.316 0.422 1.00 1.29 O ATOM 537 ND2 ASN A 37 13.051 -3.131 -0.815 1.00 1.58 N ATOM 0 H ASN A 37 8.494 -1.068 -0.148 1.00 0.90 H new ATOM 0 HA ASN A 37 10.508 -2.159 1.727 1.00 0.95 H new ATOM 0 HB2 ASN A 37 10.521 -2.953 -0.669 1.00 1.01 H new ATOM 0 HB3 ASN A 37 10.719 -1.291 -1.190 1.00 1.01 H new ATOM 0 HD21 ASN A 37 14.061 -3.243 -0.731 1.00 1.58 H new ATOM 0 HD22 ASN A 37 12.507 -3.803 -1.356 1.00 1.58 H new ATOM 544 N PHE A 38 11.032 0.065 2.588 1.00 0.94 N ATOM 545 CA PHE A 38 11.443 1.333 3.208 1.00 0.96 C ATOM 546 C PHE A 38 12.841 1.831 2.796 1.00 1.14 C ATOM 547 O PHE A 38 13.353 2.763 3.420 1.00 1.72 O ATOM 548 CB PHE A 38 11.316 1.225 4.740 1.00 1.02 C ATOM 549 CG PHE A 38 10.182 0.333 5.195 1.00 1.73 C ATOM 550 CD1 PHE A 38 8.842 0.743 5.047 1.00 2.88 C ATOM 551 CD2 PHE A 38 10.475 -0.979 5.610 1.00 3.54 C ATOM 552 CE1 PHE A 38 7.805 -0.165 5.319 1.00 4.88 C ATOM 553 CE2 PHE A 38 9.436 -1.889 5.850 1.00 5.61 C ATOM 554 CZ PHE A 38 8.097 -1.485 5.706 1.00 6.13 C ATOM 0 H PHE A 38 11.017 -0.709 3.252 1.00 0.94 H new ATOM 0 HA PHE A 38 10.762 2.094 2.827 1.00 0.96 H new ATOM 0 HB2 PHE A 38 12.252 0.844 5.147 1.00 1.02 H new ATOM 0 HB3 PHE A 38 11.171 2.222 5.155 1.00 1.02 H new ATOM 0 HD1 PHE A 38 8.614 1.749 4.727 1.00 2.88 H new ATOM 0 HD2 PHE A 38 11.502 -1.286 5.744 1.00 3.54 H new ATOM 0 HE1 PHE A 38 6.777 0.153 5.230 1.00 4.88 H new ATOM 0 HE2 PHE A 38 9.664 -2.902 6.146 1.00 5.61 H new ATOM 0 HZ PHE A 38 7.296 -2.185 5.892 1.00 6.13 H new ATOM 564 N ALA A 39 13.476 1.241 1.780 1.00 0.81 N ATOM 565 CA ALA A 39 14.800 1.610 1.298 1.00 0.89 C ATOM 566 C ALA A 39 14.810 1.830 -0.224 1.00 0.84 C ATOM 567 O ALA A 39 15.601 2.634 -0.706 1.00 0.94 O ATOM 568 CB ALA A 39 15.784 0.512 1.719 1.00 0.96 C ATOM 0 H ALA A 39 13.065 0.468 1.256 1.00 0.81 H new ATOM 0 HA ALA A 39 15.100 2.560 1.740 1.00 0.89 H new ATOM 0 HB1 ALA A 39 16.784 0.766 1.369 1.00 0.96 H new ATOM 0 HB2 ALA A 39 15.791 0.427 2.806 1.00 0.96 H new ATOM 0 HB3 ALA A 39 15.477 -0.438 1.282 1.00 0.96 H new ATOM 574 N LEU A 40 13.916 1.162 -0.967 1.00 0.81 N ATOM 575 CA LEU A 40 13.859 1.152 -2.419 1.00 0.71 C ATOM 576 C LEU A 40 12.431 1.517 -2.932 1.00 0.63 C ATOM 577 O LEU A 40 12.022 1.189 -4.040 1.00 0.61 O ATOM 578 CB LEU A 40 14.503 -0.208 -2.796 1.00 0.73 C ATOM 579 CG LEU A 40 14.152 -0.836 -4.139 1.00 0.65 C ATOM 580 CD1 LEU A 40 14.617 0.005 -5.340 1.00 0.66 C ATOM 581 CD2 LEU A 40 14.753 -2.245 -4.250 1.00 0.75 C ATOM 0 H LEU A 40 13.184 0.591 -0.544 1.00 0.81 H new ATOM 0 HA LEU A 40 14.421 1.927 -2.940 1.00 0.71 H new ATOM 0 HB2 LEU A 40 15.585 -0.082 -2.763 1.00 0.73 H new ATOM 0 HB3 LEU A 40 14.242 -0.925 -2.017 1.00 0.73 H new ATOM 0 HG LEU A 40 13.064 -0.885 -4.172 1.00 0.65 H new ATOM 0 HD11 LEU A 40 14.337 -0.497 -6.266 1.00 0.66 H new ATOM 0 HD12 LEU A 40 14.144 0.986 -5.302 1.00 0.66 H new ATOM 0 HD13 LEU A 40 15.700 0.122 -5.304 1.00 0.66 H new ATOM 0 HD21 LEU A 40 14.491 -2.677 -5.216 1.00 0.75 H new ATOM 0 HD22 LEU A 40 15.838 -2.186 -4.161 1.00 0.75 H new ATOM 0 HD23 LEU A 40 14.357 -2.873 -3.452 1.00 0.75 H new ATOM 593 N GLU A 41 11.645 2.199 -2.095 1.00 0.74 N ATOM 594 CA GLU A 41 10.347 2.838 -2.381 1.00 0.72 C ATOM 595 C GLU A 41 9.181 1.887 -2.707 1.00 0.49 C ATOM 596 O GLU A 41 8.045 2.349 -2.677 1.00 0.43 O ATOM 597 CB GLU A 41 10.418 3.872 -3.529 1.00 0.90 C ATOM 598 CG GLU A 41 11.127 5.199 -3.245 1.00 1.30 C ATOM 599 CD GLU A 41 10.816 6.250 -4.327 1.00 1.63 C ATOM 600 OE1 GLU A 41 10.152 5.940 -5.347 1.00 2.92 O ATOM 601 OE2 GLU A 41 11.233 7.416 -4.185 1.00 1.86 O ATOM 0 H GLU A 41 11.917 2.332 -1.121 1.00 0.74 H new ATOM 0 HA GLU A 41 10.135 3.319 -1.426 1.00 0.72 H new ATOM 0 HB2 GLU A 41 10.916 3.400 -4.376 1.00 0.90 H new ATOM 0 HB3 GLU A 41 9.398 4.096 -3.843 1.00 0.90 H new ATOM 0 HG2 GLU A 41 10.817 5.576 -2.270 1.00 1.30 H new ATOM 0 HG3 GLU A 41 12.203 5.034 -3.196 1.00 1.30 H new ATOM 608 N GLN A 42 9.382 0.625 -3.111 1.00 0.47 N ATOM 609 CA GLN A 42 8.262 -0.133 -3.695 1.00 0.42 C ATOM 610 C GLN A 42 7.145 -0.502 -2.718 1.00 0.45 C ATOM 611 O GLN A 42 7.381 -0.669 -1.530 1.00 0.61 O ATOM 612 CB GLN A 42 8.709 -1.351 -4.507 1.00 0.42 C ATOM 613 CG GLN A 42 9.230 -2.547 -3.673 1.00 0.59 C ATOM 614 CD GLN A 42 10.702 -2.903 -3.912 1.00 0.80 C ATOM 615 OE1 GLN A 42 11.381 -3.449 -3.065 1.00 1.65 O ATOM 616 NE2 GLN A 42 11.292 -2.626 -5.054 1.00 1.19 N ATOM 0 H GLN A 42 10.268 0.123 -3.050 1.00 0.47 H new ATOM 0 HA GLN A 42 7.820 0.584 -4.387 1.00 0.42 H new ATOM 0 HB2 GLN A 42 7.870 -1.691 -5.114 1.00 0.42 H new ATOM 0 HB3 GLN A 42 9.495 -1.040 -5.196 1.00 0.42 H new ATOM 0 HG2 GLN A 42 9.092 -2.322 -2.615 1.00 0.59 H new ATOM 0 HG3 GLN A 42 8.618 -3.421 -3.896 1.00 0.59 H new ATOM 0 HE21 GLN A 42 10.769 -2.168 -5.800 1.00 1.19 H new ATOM 0 HE22 GLN A 42 12.273 -2.869 -5.194 1.00 1.19 H new ATOM 625 N ALA A 43 5.952 -0.746 -3.260 1.00 0.39 N ATOM 626 CA ALA A 43 4.945 -1.612 -2.673 1.00 0.38 C ATOM 627 C ALA A 43 4.508 -2.667 -3.692 1.00 0.44 C ATOM 628 O ALA A 43 4.416 -2.408 -4.898 1.00 0.68 O ATOM 629 CB ALA A 43 3.755 -0.788 -2.177 1.00 0.45 C ATOM 0 H ALA A 43 5.657 -0.332 -4.144 1.00 0.39 H new ATOM 0 HA ALA A 43 5.372 -2.126 -1.812 1.00 0.38 H new ATOM 0 HB1 ALA A 43 3.009 -1.452 -1.740 1.00 0.45 H new ATOM 0 HB2 ALA A 43 4.094 -0.077 -1.424 1.00 0.45 H new ATOM 0 HB3 ALA A 43 3.313 -0.247 -3.014 1.00 0.45 H new ATOM 635 N VAL A 44 4.217 -3.852 -3.164 1.00 0.36 N ATOM 636 CA VAL A 44 3.554 -4.954 -3.866 1.00 0.42 C ATOM 637 C VAL A 44 2.316 -5.385 -3.080 1.00 0.40 C ATOM 638 O VAL A 44 2.427 -5.876 -1.957 1.00 0.44 O ATOM 639 CB VAL A 44 4.527 -6.126 -4.156 1.00 0.64 C ATOM 640 CG1 VAL A 44 5.185 -6.791 -2.936 1.00 0.73 C ATOM 641 CG2 VAL A 44 3.858 -7.194 -5.037 1.00 0.80 C ATOM 0 H VAL A 44 4.444 -4.083 -2.197 1.00 0.36 H new ATOM 0 HA VAL A 44 3.226 -4.607 -4.846 1.00 0.42 H new ATOM 0 HB VAL A 44 5.350 -5.645 -4.685 1.00 0.64 H new ATOM 0 HG11 VAL A 44 5.842 -7.594 -3.270 1.00 0.73 H new ATOM 0 HG12 VAL A 44 5.767 -6.050 -2.388 1.00 0.73 H new ATOM 0 HG13 VAL A 44 4.413 -7.200 -2.284 1.00 0.73 H new ATOM 0 HG21 VAL A 44 4.563 -8.004 -5.225 1.00 0.80 H new ATOM 0 HG22 VAL A 44 2.979 -7.588 -4.527 1.00 0.80 H new ATOM 0 HG23 VAL A 44 3.557 -6.748 -5.985 1.00 0.80 H new ATOM 651 N VAL A 45 1.123 -5.190 -3.658 1.00 0.49 N ATOM 652 CA VAL A 45 -0.127 -5.684 -3.035 1.00 0.48 C ATOM 653 C VAL A 45 -1.172 -6.100 -4.072 1.00 0.46 C ATOM 654 O VAL A 45 -1.555 -5.321 -4.939 1.00 0.51 O ATOM 655 CB VAL A 45 -0.795 -4.683 -2.054 1.00 0.51 C ATOM 656 CG1 VAL A 45 -1.769 -5.428 -1.131 1.00 0.75 C ATOM 657 CG2 VAL A 45 0.151 -3.840 -1.178 1.00 0.92 C ATOM 0 H VAL A 45 0.990 -4.702 -4.544 1.00 0.49 H new ATOM 0 HA VAL A 45 0.204 -6.551 -2.463 1.00 0.48 H new ATOM 0 HB VAL A 45 -1.295 -3.971 -2.711 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -2.234 -4.720 -0.445 1.00 0.75 H new ATOM 0 HG12 VAL A 45 -2.540 -5.912 -1.730 1.00 0.75 H new ATOM 0 HG13 VAL A 45 -1.226 -6.182 -0.561 1.00 0.75 H new ATOM 0 HG21 VAL A 45 -0.436 -3.182 -0.538 1.00 0.92 H new ATOM 0 HG22 VAL A 45 0.759 -4.500 -0.559 1.00 0.92 H new ATOM 0 HG23 VAL A 45 0.800 -3.241 -1.816 1.00 0.92 H new ATOM 667 N SER A 46 -1.688 -7.318 -3.914 1.00 0.51 N ATOM 668 CA SER A 46 -2.960 -7.757 -4.499 1.00 0.54 C ATOM 669 C SER A 46 -4.027 -7.771 -3.402 1.00 0.48 C ATOM 670 O SER A 46 -3.883 -8.467 -2.399 1.00 0.51 O ATOM 671 CB SER A 46 -2.790 -9.128 -5.159 1.00 0.80 C ATOM 672 OG SER A 46 -4.014 -9.822 -5.358 1.00 1.51 O ATOM 0 H SER A 46 -1.227 -8.044 -3.365 1.00 0.51 H new ATOM 0 HA SER A 46 -3.280 -7.067 -5.279 1.00 0.54 H new ATOM 0 HB2 SER A 46 -2.295 -8.999 -6.122 1.00 0.80 H new ATOM 0 HB3 SER A 46 -2.132 -9.740 -4.542 1.00 0.80 H new ATOM 0 HG SER A 46 -3.835 -10.686 -5.783 1.00 1.51 H new ATOM 678 N TYR A 47 -5.081 -6.986 -3.602 1.00 0.62 N ATOM 679 CA TYR A 47 -6.016 -6.518 -2.571 1.00 0.71 C ATOM 680 C TYR A 47 -7.388 -6.152 -3.160 1.00 0.86 C ATOM 681 O TYR A 47 -7.989 -5.128 -2.851 1.00 1.38 O ATOM 682 CB TYR A 47 -5.394 -5.437 -1.656 1.00 0.90 C ATOM 683 CG TYR A 47 -4.802 -4.142 -2.228 1.00 0.91 C ATOM 684 CD1 TYR A 47 -4.040 -4.103 -3.416 1.00 1.42 C ATOM 685 CD2 TYR A 47 -4.877 -2.968 -1.454 1.00 1.67 C ATOM 686 CE1 TYR A 47 -3.375 -2.934 -3.825 1.00 1.47 C ATOM 687 CE2 TYR A 47 -4.153 -1.815 -1.817 1.00 1.82 C ATOM 688 CZ TYR A 47 -3.400 -1.793 -3.009 1.00 1.23 C ATOM 689 OH TYR A 47 -2.719 -0.681 -3.396 1.00 1.45 O ATOM 0 H TYR A 47 -5.323 -6.639 -4.530 1.00 0.62 H new ATOM 0 HA TYR A 47 -6.214 -7.356 -1.902 1.00 0.71 H new ATOM 0 HB2 TYR A 47 -6.165 -5.144 -0.943 1.00 0.90 H new ATOM 0 HB3 TYR A 47 -4.601 -5.923 -1.087 1.00 0.90 H new ATOM 0 HD1 TYR A 47 -3.966 -4.992 -4.025 1.00 1.42 H new ATOM 0 HD2 TYR A 47 -5.498 -2.951 -0.570 1.00 1.67 H new ATOM 0 HE1 TYR A 47 -2.846 -2.914 -4.766 1.00 1.47 H new ATOM 0 HE2 TYR A 47 -4.175 -0.944 -1.179 1.00 1.82 H new ATOM 0 HH TYR A 47 -3.064 0.099 -2.913 1.00 1.45 H new ATOM 699 N HIS A 48 -7.850 -7.007 -4.075 1.00 0.73 N ATOM 700 CA HIS A 48 -8.993 -6.745 -4.952 1.00 0.85 C ATOM 701 C HIS A 48 -9.840 -8.015 -5.140 1.00 1.00 C ATOM 702 O HIS A 48 -9.559 -8.828 -6.029 1.00 1.32 O ATOM 703 CB HIS A 48 -8.498 -6.184 -6.303 1.00 1.06 C ATOM 704 CG HIS A 48 -7.291 -5.289 -6.234 1.00 1.18 C ATOM 705 ND1 HIS A 48 -7.307 -3.907 -6.055 1.00 1.21 N ATOM 706 CD2 HIS A 48 -5.999 -5.722 -6.326 1.00 1.42 C ATOM 707 CE1 HIS A 48 -6.022 -3.530 -6.062 1.00 1.42 C ATOM 708 NE2 HIS A 48 -5.218 -4.592 -6.258 1.00 1.58 N ATOM 0 H HIS A 48 -7.429 -7.923 -4.230 1.00 0.73 H new ATOM 0 HA HIS A 48 -9.635 -5.997 -4.487 1.00 0.85 H new ATOM 0 HB2 HIS A 48 -8.269 -7.022 -6.962 1.00 1.06 H new ATOM 0 HB3 HIS A 48 -9.314 -5.628 -6.766 1.00 1.06 H new ATOM 0 HD1 HIS A 48 -8.125 -3.309 -5.942 1.00 1.21 H new ATOM 0 HD2 HIS A 48 -5.660 -6.742 -6.431 1.00 1.42 H new ATOM 0 HE1 HIS A 48 -5.678 -2.515 -5.929 1.00 1.42 H new ATOM 716 N GLY A 49 -10.824 -8.224 -4.260 1.00 1.49 N ATOM 717 CA GLY A 49 -11.777 -9.344 -4.333 1.00 1.93 C ATOM 718 C GLY A 49 -13.068 -8.975 -5.065 1.00 1.87 C ATOM 719 O GLY A 49 -13.688 -9.835 -5.681 1.00 2.63 O ATOM 0 H GLY A 49 -10.986 -7.611 -3.461 1.00 1.49 H new ATOM 0 HA2 GLY A 49 -11.304 -10.185 -4.840 1.00 1.93 H new ATOM 0 HA3 GLY A 49 -12.019 -9.676 -3.323 1.00 1.93 H new ATOM 723 N GLU A 50 -13.450 -7.699 -5.012 1.00 1.97 N ATOM 724 CA GLU A 50 -14.682 -7.150 -5.577 1.00 2.20 C ATOM 725 C GLU A 50 -14.444 -5.722 -6.088 1.00 2.24 C ATOM 726 O GLU A 50 -13.587 -5.010 -5.555 1.00 3.64 O ATOM 727 CB GLU A 50 -15.786 -7.098 -4.506 1.00 2.88 C ATOM 728 CG GLU A 50 -16.267 -8.475 -4.030 1.00 3.31 C ATOM 729 CD GLU A 50 -17.384 -8.329 -3.001 1.00 4.07 C ATOM 730 OE1 GLU A 50 -18.398 -7.686 -3.351 1.00 4.55 O ATOM 731 OE2 GLU A 50 -17.200 -8.841 -1.875 1.00 5.08 O ATOM 0 H GLU A 50 -12.882 -6.987 -4.552 1.00 1.97 H new ATOM 0 HA GLU A 50 -14.989 -7.796 -6.399 1.00 2.20 H new ATOM 0 HB2 GLU A 50 -15.417 -6.538 -3.647 1.00 2.88 H new ATOM 0 HB3 GLU A 50 -16.637 -6.546 -4.905 1.00 2.88 H new ATOM 0 HG2 GLU A 50 -16.623 -9.056 -4.881 1.00 3.31 H new ATOM 0 HG3 GLU A 50 -15.434 -9.026 -3.594 1.00 3.31 H new ATOM 738 N THR A 51 -15.265 -5.308 -7.067 1.00 1.94 N ATOM 739 CA THR A 51 -15.426 -3.936 -7.593 1.00 2.28 C ATOM 740 C THR A 51 -14.103 -3.297 -8.056 1.00 2.39 C ATOM 741 O THR A 51 -13.179 -4.005 -8.451 1.00 3.31 O ATOM 742 CB THR A 51 -16.294 -3.112 -6.618 1.00 2.77 C ATOM 743 OG1 THR A 51 -16.717 -1.932 -7.258 1.00 3.60 O ATOM 744 CG2 THR A 51 -15.659 -2.725 -5.279 1.00 3.64 C ATOM 0 H THR A 51 -15.878 -5.967 -7.548 1.00 1.94 H new ATOM 0 HA THR A 51 -15.980 -3.964 -8.531 1.00 2.28 H new ATOM 0 HB THR A 51 -17.112 -3.786 -6.362 1.00 2.77 H new ATOM 0 HG1 THR A 51 -17.270 -1.406 -6.643 1.00 3.60 H new ATOM 0 HG21 THR A 51 -16.374 -2.150 -4.690 1.00 3.64 H new ATOM 0 HG22 THR A 51 -15.382 -3.627 -4.733 1.00 3.64 H new ATOM 0 HG23 THR A 51 -14.769 -2.122 -5.459 1.00 3.64 H new ATOM 752 N THR A 52 -14.015 -1.964 -8.059 1.00 2.66 N ATOM 753 CA THR A 52 -12.756 -1.214 -8.035 1.00 2.78 C ATOM 754 C THR A 52 -12.632 -0.632 -6.625 1.00 1.50 C ATOM 755 O THR A 52 -13.289 0.367 -6.316 1.00 2.45 O ATOM 756 CB THR A 52 -12.667 -0.194 -9.176 1.00 4.54 C ATOM 757 OG1 THR A 52 -11.440 0.476 -9.028 1.00 5.42 O ATOM 758 CG2 THR A 52 -13.792 0.843 -9.275 1.00 5.84 C ATOM 0 H THR A 52 -14.838 -1.361 -8.079 1.00 2.66 H new ATOM 0 HA THR A 52 -11.894 -1.853 -8.227 1.00 2.78 H new ATOM 0 HB THR A 52 -12.762 -0.767 -10.098 1.00 4.54 H new ATOM 0 HG1 THR A 52 -11.342 1.140 -9.742 1.00 5.42 H new ATOM 0 HG21 THR A 52 -13.606 1.501 -10.124 1.00 5.84 H new ATOM 0 HG22 THR A 52 -14.746 0.333 -9.413 1.00 5.84 H new ATOM 0 HG23 THR A 52 -13.825 1.433 -8.359 1.00 5.84 H new ATOM 766 N PRO A 53 -11.901 -1.298 -5.708 1.00 1.36 N ATOM 767 CA PRO A 53 -11.935 -0.970 -4.290 1.00 2.42 C ATOM 768 C PRO A 53 -10.967 0.184 -4.023 1.00 2.04 C ATOM 769 O PRO A 53 -9.925 -0.025 -3.418 1.00 2.16 O ATOM 770 CB PRO A 53 -11.576 -2.282 -3.579 1.00 4.01 C ATOM 771 CG PRO A 53 -10.598 -2.944 -4.547 1.00 4.11 C ATOM 772 CD PRO A 53 -11.132 -2.523 -5.918 1.00 2.80 C ATOM 0 HA PRO A 53 -12.900 -0.617 -3.926 1.00 2.42 H new ATOM 0 HB2 PRO A 53 -11.120 -2.101 -2.606 1.00 4.01 H new ATOM 0 HB3 PRO A 53 -12.456 -2.902 -3.408 1.00 4.01 H new ATOM 0 HG2 PRO A 53 -9.577 -2.598 -4.388 1.00 4.11 H new ATOM 0 HG3 PRO A 53 -10.589 -4.028 -4.433 1.00 4.11 H new ATOM 0 HD2 PRO A 53 -10.313 -2.352 -6.617 1.00 2.80 H new ATOM 0 HD3 PRO A 53 -11.759 -3.305 -6.347 1.00 2.80 H new ATOM 780 N GLN A 54 -11.301 1.384 -4.517 1.00 1.77 N ATOM 781 CA GLN A 54 -10.412 2.551 -4.667 1.00 1.43 C ATOM 782 C GLN A 54 -9.525 2.873 -3.456 1.00 0.99 C ATOM 783 O GLN A 54 -8.396 3.311 -3.646 1.00 1.13 O ATOM 784 CB GLN A 54 -11.269 3.766 -5.041 1.00 1.78 C ATOM 785 CG GLN A 54 -10.418 4.988 -5.421 1.00 2.30 C ATOM 786 CD GLN A 54 -11.304 6.151 -5.836 1.00 2.81 C ATOM 787 OE1 GLN A 54 -11.931 6.137 -6.883 1.00 2.91 O ATOM 788 NE2 GLN A 54 -11.428 7.178 -5.026 1.00 3.79 N ATOM 0 H GLN A 54 -12.248 1.580 -4.841 1.00 1.77 H new ATOM 0 HA GLN A 54 -9.702 2.295 -5.453 1.00 1.43 H new ATOM 0 HB2 GLN A 54 -11.919 3.505 -5.876 1.00 1.78 H new ATOM 0 HB3 GLN A 54 -11.915 4.023 -4.202 1.00 1.78 H new ATOM 0 HG2 GLN A 54 -9.796 5.282 -4.575 1.00 2.30 H new ATOM 0 HG3 GLN A 54 -9.744 4.728 -6.237 1.00 2.30 H new ATOM 0 HE21 GLN A 54 -10.909 7.201 -4.148 1.00 3.79 H new ATOM 0 HE22 GLN A 54 -12.043 7.952 -5.275 1.00 3.79 H new ATOM 797 N ILE A 55 -9.977 2.573 -2.234 1.00 1.01 N ATOM 798 CA ILE A 55 -9.201 2.686 -0.983 1.00 1.08 C ATOM 799 C ILE A 55 -7.861 1.916 -1.055 1.00 0.96 C ATOM 800 O ILE A 55 -6.953 2.182 -0.271 1.00 0.97 O ATOM 801 CB ILE A 55 -10.102 2.290 0.219 1.00 1.73 C ATOM 802 CG1 ILE A 55 -11.187 3.350 0.543 1.00 2.22 C ATOM 803 CG2 ILE A 55 -9.309 2.071 1.523 1.00 1.93 C ATOM 804 CD1 ILE A 55 -12.268 3.577 -0.523 1.00 2.67 C ATOM 0 H ILE A 55 -10.926 2.232 -2.077 1.00 1.01 H new ATOM 0 HA ILE A 55 -8.901 3.723 -0.833 1.00 1.08 H new ATOM 0 HB ILE A 55 -10.564 1.359 -0.110 1.00 1.73 H new ATOM 0 HG12 ILE A 55 -11.680 3.060 1.471 1.00 2.22 H new ATOM 0 HG13 ILE A 55 -10.689 4.301 0.730 1.00 2.22 H new ATOM 0 HG21 ILE A 55 -9.995 1.797 2.324 1.00 1.93 H new ATOM 0 HG22 ILE A 55 -8.583 1.271 1.377 1.00 1.93 H new ATOM 0 HG23 ILE A 55 -8.788 2.990 1.790 1.00 1.93 H new ATOM 0 HD11 ILE A 55 -12.965 4.340 -0.177 1.00 2.67 H new ATOM 0 HD12 ILE A 55 -11.800 3.906 -1.451 1.00 2.67 H new ATOM 0 HD13 ILE A 55 -12.807 2.646 -0.699 1.00 2.67 H new ATOM 816 N LEU A 56 -7.689 1.036 -2.048 1.00 1.08 N ATOM 817 CA LEU A 56 -6.407 0.503 -2.500 1.00 1.11 C ATOM 818 C LEU A 56 -5.309 1.581 -2.606 1.00 0.94 C ATOM 819 O LEU A 56 -4.172 1.317 -2.224 1.00 1.06 O ATOM 820 CB LEU A 56 -6.625 -0.305 -3.809 1.00 1.46 C ATOM 821 CG LEU A 56 -6.804 0.514 -5.113 1.00 1.51 C ATOM 822 CD1 LEU A 56 -5.462 0.757 -5.829 1.00 1.65 C ATOM 823 CD2 LEU A 56 -7.748 -0.167 -6.115 1.00 1.97 C ATOM 0 H LEU A 56 -8.476 0.662 -2.579 1.00 1.08 H new ATOM 0 HA LEU A 56 -6.022 -0.181 -1.744 1.00 1.11 H new ATOM 0 HB2 LEU A 56 -5.774 -0.973 -3.942 1.00 1.46 H new ATOM 0 HB3 LEU A 56 -7.506 -0.933 -3.678 1.00 1.46 H new ATOM 0 HG LEU A 56 -7.237 1.461 -4.792 1.00 1.51 H new ATOM 0 HD11 LEU A 56 -5.634 1.334 -6.737 1.00 1.65 H new ATOM 0 HD12 LEU A 56 -4.792 1.309 -5.169 1.00 1.65 H new ATOM 0 HD13 LEU A 56 -5.009 -0.200 -6.087 1.00 1.65 H new ATOM 0 HD21 LEU A 56 -7.836 0.450 -7.009 1.00 1.97 H new ATOM 0 HD22 LEU A 56 -7.347 -1.144 -6.387 1.00 1.97 H new ATOM 0 HD23 LEU A 56 -8.731 -0.292 -5.662 1.00 1.97 H new ATOM 835 N THR A 57 -5.626 2.788 -3.097 1.00 0.82 N ATOM 836 CA THR A 57 -4.696 3.932 -3.108 1.00 0.93 C ATOM 837 C THR A 57 -4.797 4.748 -1.826 1.00 0.84 C ATOM 838 O THR A 57 -3.777 5.043 -1.211 1.00 0.90 O ATOM 839 CB THR A 57 -4.844 4.761 -4.392 1.00 1.29 C ATOM 840 OG1 THR A 57 -3.661 5.501 -4.547 1.00 1.97 O ATOM 841 CG2 THR A 57 -6.009 5.751 -4.449 1.00 2.09 C ATOM 0 H THR A 57 -6.538 3.001 -3.500 1.00 0.82 H new ATOM 0 HA THR A 57 -3.676 3.547 -3.125 1.00 0.93 H new ATOM 0 HB THR A 57 -5.047 4.035 -5.180 1.00 1.29 H new ATOM 0 HG1 THR A 57 -3.719 6.044 -5.361 1.00 1.97 H new ATOM 0 HG21 THR A 57 -5.999 6.270 -5.407 1.00 2.09 H new ATOM 0 HG22 THR A 57 -6.950 5.212 -4.338 1.00 2.09 H new ATOM 0 HG23 THR A 57 -5.909 6.477 -3.642 1.00 2.09 H new ATOM 849 N ASP A 58 -5.999 5.078 -1.366 1.00 0.81 N ATOM 850 CA ASP A 58 -6.194 6.008 -0.241 1.00 1.11 C ATOM 851 C ASP A 58 -5.538 5.490 1.058 1.00 0.89 C ATOM 852 O ASP A 58 -5.068 6.259 1.899 1.00 0.87 O ATOM 853 CB ASP A 58 -7.697 6.283 -0.060 1.00 1.55 C ATOM 854 CG ASP A 58 -8.407 6.645 -1.378 1.00 3.42 C ATOM 855 OD1 ASP A 58 -7.917 7.542 -2.097 1.00 4.81 O ATOM 856 OD2 ASP A 58 -9.422 5.979 -1.683 1.00 4.31 O ATOM 0 H ASP A 58 -6.868 4.714 -1.756 1.00 0.81 H new ATOM 0 HA ASP A 58 -5.693 6.948 -0.473 1.00 1.11 H new ATOM 0 HB2 ASP A 58 -8.172 5.402 0.372 1.00 1.55 H new ATOM 0 HB3 ASP A 58 -7.828 7.098 0.652 1.00 1.55 H new ATOM 861 N ALA A 59 -5.400 4.164 1.186 1.00 0.77 N ATOM 862 CA ALA A 59 -4.704 3.496 2.279 1.00 0.72 C ATOM 863 C ALA A 59 -3.170 3.643 2.281 1.00 0.63 C ATOM 864 O ALA A 59 -2.565 3.289 3.291 1.00 0.75 O ATOM 865 CB ALA A 59 -5.149 2.029 2.301 1.00 0.87 C ATOM 0 H ALA A 59 -5.785 3.510 0.505 1.00 0.77 H new ATOM 0 HA ALA A 59 -4.990 4.002 3.201 1.00 0.72 H new ATOM 0 HB1 ALA A 59 -4.641 1.507 3.112 1.00 0.87 H new ATOM 0 HB2 ALA A 59 -6.227 1.978 2.456 1.00 0.87 H new ATOM 0 HB3 ALA A 59 -4.896 1.558 1.351 1.00 0.87 H new ATOM 871 N VAL A 60 -2.540 4.189 1.232 1.00 0.60 N ATOM 872 CA VAL A 60 -1.172 4.745 1.351 1.00 0.61 C ATOM 873 C VAL A 60 -1.176 6.162 1.916 1.00 0.66 C ATOM 874 O VAL A 60 -0.361 6.473 2.787 1.00 0.75 O ATOM 875 CB VAL A 60 -0.325 4.674 0.059 1.00 0.76 C ATOM 876 CG1 VAL A 60 -0.065 3.215 -0.346 1.00 1.94 C ATOM 877 CG2 VAL A 60 -0.787 5.435 -1.197 1.00 1.68 C ATOM 0 H VAL A 60 -2.945 4.261 0.298 1.00 0.60 H new ATOM 0 HA VAL A 60 -0.678 4.083 2.062 1.00 0.61 H new ATOM 0 HB VAL A 60 0.567 5.212 0.380 1.00 0.76 H new ATOM 0 HG11 VAL A 60 0.533 3.191 -1.257 1.00 1.94 H new ATOM 0 HG12 VAL A 60 0.473 2.706 0.454 1.00 1.94 H new ATOM 0 HG13 VAL A 60 -1.015 2.711 -0.522 1.00 1.94 H new ATOM 0 HG21 VAL A 60 -0.073 5.272 -2.004 1.00 1.68 H new ATOM 0 HG22 VAL A 60 -1.769 5.072 -1.502 1.00 1.68 H new ATOM 0 HG23 VAL A 60 -0.846 6.501 -0.975 1.00 1.68 H new ATOM 887 N GLU A 61 -2.121 7.001 1.490 1.00 0.72 N ATOM 888 CA GLU A 61 -2.184 8.411 1.886 1.00 0.94 C ATOM 889 C GLU A 61 -2.479 8.560 3.386 1.00 0.84 C ATOM 890 O GLU A 61 -1.966 9.475 4.026 1.00 0.93 O ATOM 891 CB GLU A 61 -3.149 9.180 0.963 1.00 1.29 C ATOM 892 CG GLU A 61 -2.898 10.690 1.065 1.00 2.45 C ATOM 893 CD GLU A 61 -3.640 11.508 0.004 1.00 1.87 C ATOM 894 OE1 GLU A 61 -3.157 11.541 -1.152 1.00 2.02 O ATOM 895 OE2 GLU A 61 -4.653 12.146 0.345 1.00 2.91 O ATOM 0 H GLU A 61 -2.870 6.721 0.856 1.00 0.72 H new ATOM 0 HA GLU A 61 -1.206 8.872 1.750 1.00 0.94 H new ATOM 0 HB2 GLU A 61 -3.015 8.852 -0.068 1.00 1.29 H new ATOM 0 HB3 GLU A 61 -4.180 8.957 1.238 1.00 1.29 H new ATOM 0 HG2 GLU A 61 -3.200 11.034 2.054 1.00 2.45 H new ATOM 0 HG3 GLU A 61 -1.828 10.879 0.975 1.00 2.45 H new ATOM 902 N ARG A 62 -3.137 7.563 3.993 1.00 0.74 N ATOM 903 CA ARG A 62 -3.300 7.423 5.449 1.00 0.73 C ATOM 904 C ARG A 62 -1.992 7.557 6.252 1.00 0.68 C ATOM 905 O ARG A 62 -2.046 7.850 7.449 1.00 0.81 O ATOM 906 CB ARG A 62 -4.014 6.087 5.754 1.00 0.74 C ATOM 907 CG ARG A 62 -3.127 4.844 6.037 1.00 1.21 C ATOM 908 CD ARG A 62 -2.402 4.738 7.401 1.00 1.01 C ATOM 909 NE ARG A 62 -3.117 5.423 8.494 1.00 2.00 N ATOM 910 CZ ARG A 62 -4.284 5.083 9.027 1.00 2.11 C ATOM 911 NH1 ARG A 62 -4.864 3.938 8.724 1.00 2.62 N ATOM 912 NH2 ARG A 62 -4.895 5.925 9.838 1.00 3.51 N ATOM 0 H ARG A 62 -3.584 6.809 3.471 1.00 0.74 H new ATOM 0 HA ARG A 62 -3.912 8.262 5.782 1.00 0.73 H new ATOM 0 HB2 ARG A 62 -4.661 6.242 6.618 1.00 0.74 H new ATOM 0 HB3 ARG A 62 -4.661 5.852 4.909 1.00 0.74 H new ATOM 0 HG2 ARG A 62 -3.754 3.959 5.927 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -2.368 4.795 5.256 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -2.279 3.686 7.659 1.00 1.01 H new ATOM 0 HD3 ARG A 62 -1.402 5.162 7.308 1.00 1.01 H new ATOM 0 HE ARG A 62 -2.664 6.250 8.884 1.00 2.00 H new ATOM 0 HH11 ARG A 62 -4.416 3.297 8.070 1.00 2.62 H new ATOM 0 HH12 ARG A 62 -5.761 3.694 9.144 1.00 2.62 H new ATOM 0 HH21 ARG A 62 -4.470 6.828 10.050 1.00 3.51 H new ATOM 0 HH22 ARG A 62 -5.792 5.673 10.253 1.00 3.51 H new ATOM 926 N ALA A 63 -0.844 7.240 5.644 1.00 0.62 N ATOM 927 CA ALA A 63 0.482 7.307 6.262 1.00 0.72 C ATOM 928 C ALA A 63 1.248 8.606 5.946 1.00 0.89 C ATOM 929 O ALA A 63 2.388 8.740 6.386 1.00 1.08 O ATOM 930 CB ALA A 63 1.263 6.084 5.780 1.00 0.76 C ATOM 0 H ALA A 63 -0.813 6.919 4.676 1.00 0.62 H new ATOM 0 HA ALA A 63 0.364 7.310 7.346 1.00 0.72 H new ATOM 0 HB1 ALA A 63 2.261 6.094 6.218 1.00 0.76 H new ATOM 0 HB2 ALA A 63 0.742 5.176 6.085 1.00 0.76 H new ATOM 0 HB3 ALA A 63 1.343 6.109 4.693 1.00 0.76 H new ATOM 936 N GLY A 64 0.652 9.502 5.153 1.00 0.89 N ATOM 937 CA GLY A 64 1.274 10.675 4.549 1.00 1.03 C ATOM 938 C GLY A 64 1.816 10.381 3.153 1.00 0.95 C ATOM 939 O GLY A 64 2.332 11.295 2.511 1.00 1.04 O ATOM 0 H GLY A 64 -0.334 9.419 4.904 1.00 0.89 H new ATOM 0 HA2 GLY A 64 0.545 11.483 4.492 1.00 1.03 H new ATOM 0 HA3 GLY A 64 2.086 11.023 5.187 1.00 1.03 H new ATOM 943 N TYR A 65 1.729 9.128 2.673 1.00 0.87 N ATOM 944 CA TYR A 65 2.497 8.696 1.506 1.00 0.87 C ATOM 945 C TYR A 65 1.649 8.506 0.246 1.00 0.86 C ATOM 946 O TYR A 65 0.523 8.022 0.287 1.00 1.31 O ATOM 947 CB TYR A 65 3.299 7.429 1.835 1.00 0.94 C ATOM 948 CG TYR A 65 4.168 7.497 3.086 1.00 1.01 C ATOM 949 CD1 TYR A 65 4.809 8.691 3.486 1.00 1.68 C ATOM 950 CD2 TYR A 65 4.337 6.335 3.861 1.00 2.14 C ATOM 951 CE1 TYR A 65 5.578 8.730 4.665 1.00 1.80 C ATOM 952 CE2 TYR A 65 5.094 6.370 5.044 1.00 2.23 C ATOM 953 CZ TYR A 65 5.722 7.564 5.448 1.00 1.36 C ATOM 954 OH TYR A 65 6.519 7.564 6.549 1.00 1.61 O ATOM 0 H TYR A 65 1.135 8.404 3.078 1.00 0.87 H new ATOM 0 HA TYR A 65 3.187 9.507 1.272 1.00 0.87 H new ATOM 0 HB2 TYR A 65 2.601 6.599 1.946 1.00 0.94 H new ATOM 0 HB3 TYR A 65 3.939 7.196 0.984 1.00 0.94 H new ATOM 0 HD1 TYR A 65 4.708 9.581 2.883 1.00 1.68 H new ATOM 0 HD2 TYR A 65 3.881 5.409 3.544 1.00 2.14 H new ATOM 0 HE1 TYR A 65 6.056 9.649 4.969 1.00 1.80 H new ATOM 0 HE2 TYR A 65 5.195 5.479 5.645 1.00 2.23 H new ATOM 0 HH TYR A 65 6.625 6.646 6.876 1.00 1.61 H new ATOM 964 N HIS A 66 2.208 8.877 -0.904 1.00 0.69 N ATOM 965 CA HIS A 66 1.500 8.851 -2.189 1.00 0.64 C ATOM 966 C HIS A 66 1.853 7.611 -3.004 1.00 0.57 C ATOM 967 O HIS A 66 2.872 6.970 -2.766 1.00 0.68 O ATOM 968 CB HIS A 66 1.768 10.163 -2.961 1.00 0.76 C ATOM 969 CG HIS A 66 0.551 10.990 -3.249 1.00 1.20 C ATOM 970 ND1 HIS A 66 0.435 11.931 -4.255 1.00 2.56 N ATOM 971 CD2 HIS A 66 -0.593 11.023 -2.508 1.00 1.44 C ATOM 972 CE1 HIS A 66 -0.782 12.512 -4.135 1.00 2.92 C ATOM 973 NE2 HIS A 66 -1.419 11.957 -3.082 1.00 2.04 N ATOM 0 H HIS A 66 3.171 9.207 -0.974 1.00 0.69 H new ATOM 0 HA HIS A 66 0.429 8.786 -1.998 1.00 0.64 H new ATOM 0 HB2 HIS A 66 2.471 10.767 -2.388 1.00 0.76 H new ATOM 0 HB3 HIS A 66 2.254 9.918 -3.905 1.00 0.76 H new ATOM 0 HD2 HIS A 66 -0.809 10.427 -1.634 1.00 1.44 H new ATOM 0 HE1 HIS A 66 -1.177 13.288 -4.774 1.00 2.92 H new ATOM 0 HE2 HIS A 66 -2.359 12.193 -2.765 1.00 2.04 H new ATOM 982 N ALA A 67 1.040 7.290 -4.006 1.00 0.55 N ATOM 983 CA ALA A 67 1.320 6.242 -4.985 1.00 0.62 C ATOM 984 C ALA A 67 2.054 6.833 -6.207 1.00 0.70 C ATOM 985 O ALA A 67 1.618 7.850 -6.747 1.00 0.93 O ATOM 986 CB ALA A 67 -0.035 5.637 -5.379 1.00 0.73 C ATOM 0 H ALA A 67 0.149 7.761 -4.164 1.00 0.55 H new ATOM 0 HA ALA A 67 1.972 5.472 -4.572 1.00 0.62 H new ATOM 0 HB1 ALA A 67 0.119 4.845 -6.112 1.00 0.73 H new ATOM 0 HB2 ALA A 67 -0.520 5.223 -4.495 1.00 0.73 H new ATOM 0 HB3 ALA A 67 -0.668 6.412 -5.810 1.00 0.73 H new ATOM 992 N ARG A 68 3.141 6.194 -6.656 1.00 0.71 N ATOM 993 CA ARG A 68 3.970 6.620 -7.799 1.00 0.79 C ATOM 994 C ARG A 68 4.393 5.396 -8.615 1.00 0.61 C ATOM 995 O ARG A 68 4.831 4.390 -8.078 1.00 0.57 O ATOM 996 CB ARG A 68 5.165 7.480 -7.328 1.00 1.10 C ATOM 997 CG ARG A 68 6.024 6.837 -6.225 1.00 1.35 C ATOM 998 CD ARG A 68 6.949 7.806 -5.492 1.00 2.43 C ATOM 999 NE ARG A 68 8.306 7.906 -6.023 1.00 2.43 N ATOM 1000 CZ ARG A 68 8.936 9.031 -6.310 1.00 2.59 C ATOM 1001 NH1 ARG A 68 8.312 10.158 -6.609 1.00 2.97 N ATOM 1002 NH2 ARG A 68 10.246 9.015 -6.233 1.00 3.55 N ATOM 0 H ARG A 68 3.482 5.337 -6.221 1.00 0.71 H new ATOM 0 HA ARG A 68 3.383 7.261 -8.457 1.00 0.79 H new ATOM 0 HB2 ARG A 68 5.801 7.695 -8.186 1.00 1.10 H new ATOM 0 HB3 ARG A 68 4.787 8.435 -6.965 1.00 1.10 H new ATOM 0 HG2 ARG A 68 5.364 6.365 -5.497 1.00 1.35 H new ATOM 0 HG3 ARG A 68 6.627 6.045 -6.668 1.00 1.35 H new ATOM 0 HD2 ARG A 68 6.496 8.797 -5.511 1.00 2.43 H new ATOM 0 HD3 ARG A 68 7.008 7.503 -4.447 1.00 2.43 H new ATOM 0 HE ARG A 68 8.809 7.034 -6.186 1.00 2.43 H new ATOM 0 HH11 ARG A 68 7.293 10.187 -6.626 1.00 2.97 H new ATOM 0 HH12 ARG A 68 8.850 10.998 -6.823 1.00 2.97 H new ATOM 0 HH21 ARG A 68 10.731 8.159 -5.961 1.00 3.55 H new ATOM 0 HH22 ARG A 68 10.780 9.858 -6.445 1.00 3.55 H new ATOM 1016 N VAL A 69 4.171 5.425 -9.924 1.00 0.81 N ATOM 1017 CA VAL A 69 4.131 4.213 -10.764 1.00 0.90 C ATOM 1018 C VAL A 69 5.437 3.989 -11.518 1.00 1.14 C ATOM 1019 O VAL A 69 5.921 4.873 -12.219 1.00 1.61 O ATOM 1020 CB VAL A 69 2.941 4.271 -11.747 1.00 1.40 C ATOM 1021 CG1 VAL A 69 2.869 3.034 -12.655 1.00 2.10 C ATOM 1022 CG2 VAL A 69 1.606 4.400 -10.990 1.00 3.05 C ATOM 0 H VAL A 69 4.012 6.288 -10.443 1.00 0.81 H new ATOM 0 HA VAL A 69 3.996 3.364 -10.094 1.00 0.90 H new ATOM 0 HB VAL A 69 3.107 5.151 -12.369 1.00 1.40 H new ATOM 0 HG11 VAL A 69 2.015 3.125 -13.327 1.00 2.10 H new ATOM 0 HG12 VAL A 69 3.785 2.959 -13.241 1.00 2.10 H new ATOM 0 HG13 VAL A 69 2.755 2.139 -12.043 1.00 2.10 H new ATOM 0 HG21 VAL A 69 0.784 4.439 -11.705 1.00 3.05 H new ATOM 0 HG22 VAL A 69 1.475 3.540 -10.334 1.00 3.05 H new ATOM 0 HG23 VAL A 69 1.612 5.313 -10.395 1.00 3.05 H new ATOM 1032 N LEU A 70 5.960 2.761 -11.411 1.00 1.04 N ATOM 1033 CA LEU A 70 7.195 2.346 -12.071 1.00 1.30 C ATOM 1034 C LEU A 70 6.915 1.617 -13.398 1.00 1.55 C ATOM 1035 O LEU A 70 6.842 0.392 -13.452 1.00 2.08 O ATOM 1036 CB LEU A 70 8.076 1.583 -11.054 1.00 1.21 C ATOM 1037 CG LEU A 70 7.650 0.152 -10.628 1.00 1.12 C ATOM 1038 CD1 LEU A 70 8.563 -0.938 -11.216 1.00 1.52 C ATOM 1039 CD2 LEU A 70 7.671 -0.008 -9.106 1.00 1.28 C ATOM 0 H LEU A 70 5.529 2.022 -10.856 1.00 1.04 H new ATOM 0 HA LEU A 70 7.776 3.213 -12.385 1.00 1.30 H new ATOM 0 HB2 LEU A 70 9.082 1.519 -11.470 1.00 1.21 H new ATOM 0 HB3 LEU A 70 8.142 2.191 -10.152 1.00 1.21 H new ATOM 0 HG LEU A 70 6.639 0.027 -11.016 1.00 1.12 H new ATOM 0 HD11 LEU A 70 8.219 -1.918 -10.886 1.00 1.52 H new ATOM 0 HD12 LEU A 70 8.532 -0.890 -12.305 1.00 1.52 H new ATOM 0 HD13 LEU A 70 9.586 -0.779 -10.875 1.00 1.52 H new ATOM 0 HD21 LEU A 70 7.368 -1.021 -8.842 1.00 1.28 H new ATOM 0 HD22 LEU A 70 8.679 0.177 -8.735 1.00 1.28 H new ATOM 0 HD23 LEU A 70 6.981 0.706 -8.656 1.00 1.28 H new ATOM 1051 N LYS A 71 6.695 2.366 -14.480 1.00 2.18 N ATOM 1052 CA LYS A 71 6.540 1.826 -15.846 1.00 2.52 C ATOM 1053 C LYS A 71 7.106 2.795 -16.909 1.00 3.10 C ATOM 1054 O LYS A 71 7.270 3.987 -16.657 1.00 3.77 O ATOM 1055 CB LYS A 71 5.069 1.427 -16.135 1.00 3.87 C ATOM 1056 CG LYS A 71 4.659 0.040 -15.586 1.00 4.87 C ATOM 1057 CD LYS A 71 3.867 0.078 -14.266 1.00 6.18 C ATOM 1058 CE LYS A 71 3.818 -1.303 -13.589 1.00 7.46 C ATOM 1059 NZ LYS A 71 4.954 -1.517 -12.655 1.00 8.48 N ATOM 0 H LYS A 71 6.617 3.382 -14.439 1.00 2.18 H new ATOM 0 HA LYS A 71 7.132 0.913 -15.909 1.00 2.52 H new ATOM 0 HB2 LYS A 71 4.410 2.182 -15.706 1.00 3.87 H new ATOM 0 HB3 LYS A 71 4.908 1.439 -17.213 1.00 3.87 H new ATOM 0 HG2 LYS A 71 4.059 -0.471 -16.339 1.00 4.87 H new ATOM 0 HG3 LYS A 71 5.559 -0.557 -15.437 1.00 4.87 H new ATOM 0 HD2 LYS A 71 4.324 0.799 -13.588 1.00 6.18 H new ATOM 0 HD3 LYS A 71 2.852 0.423 -14.461 1.00 6.18 H new ATOM 0 HE2 LYS A 71 2.879 -1.404 -13.044 1.00 7.46 H new ATOM 0 HE3 LYS A 71 3.828 -2.080 -14.353 1.00 7.46 H new ATOM 0 HZ1 LYS A 71 5.026 -2.528 -12.421 1.00 8.48 H new ATOM 0 HZ2 LYS A 71 5.837 -1.202 -13.105 1.00 8.48 H new ATOM 0 HZ3 LYS A 71 4.795 -0.971 -11.784 1.00 8.48 H new ATOM 1073 N GLN A 72 7.443 2.277 -18.092 1.00 3.46 N ATOM 1074 CA GLN A 72 8.236 2.944 -19.133 1.00 4.24 C ATOM 1075 C GLN A 72 8.233 2.044 -20.385 1.00 4.12 C ATOM 1076 O GLN A 72 7.788 0.901 -20.303 1.00 4.25 O ATOM 1077 CB GLN A 72 9.673 3.201 -18.603 1.00 4.70 C ATOM 1078 CG GLN A 72 10.121 4.674 -18.646 1.00 5.95 C ATOM 1079 CD GLN A 72 10.532 5.168 -20.034 1.00 7.63 C ATOM 1080 OE1 GLN A 72 10.653 4.413 -20.990 1.00 8.01 O ATOM 1081 NE2 GLN A 72 10.751 6.450 -20.213 1.00 9.20 N ATOM 0 H GLN A 72 7.158 1.337 -18.365 1.00 3.46 H new ATOM 0 HA GLN A 72 7.810 3.912 -19.397 1.00 4.24 H new ATOM 0 HB2 GLN A 72 9.735 2.846 -17.574 1.00 4.70 H new ATOM 0 HB3 GLN A 72 10.373 2.605 -19.188 1.00 4.70 H new ATOM 0 HG2 GLN A 72 9.308 5.299 -18.277 1.00 5.95 H new ATOM 0 HG3 GLN A 72 10.960 4.806 -17.963 1.00 5.95 H new ATOM 0 HE21 GLN A 72 10.656 7.098 -19.431 1.00 9.20 H new ATOM 0 HE22 GLN A 72 11.016 6.798 -21.134 1.00 9.20 H new ATOM 1090 N GLN A 73 8.746 2.526 -21.520 1.00 4.62 N ATOM 1091 CA GLN A 73 9.095 1.681 -22.667 1.00 4.65 C ATOM 1092 C GLN A 73 10.485 1.049 -22.487 1.00 4.83 C ATOM 1093 O GLN A 73 10.678 -0.074 -22.936 1.00 5.44 O ATOM 1094 CB GLN A 73 9.028 2.514 -23.965 1.00 5.71 C ATOM 1095 CG GLN A 73 9.275 1.673 -25.233 1.00 6.91 C ATOM 1096 CD GLN A 73 9.233 2.502 -26.518 1.00 8.29 C ATOM 1097 OE1 GLN A 73 10.213 3.083 -26.949 1.00 8.92 O ATOM 1098 NE2 GLN A 73 8.097 2.603 -27.177 1.00 9.25 N ATOM 0 H GLN A 73 8.932 3.518 -21.671 1.00 4.62 H new ATOM 0 HA GLN A 73 8.375 0.866 -22.734 1.00 4.65 H new ATOM 0 HB2 GLN A 73 8.049 2.989 -24.035 1.00 5.71 H new ATOM 0 HB3 GLN A 73 9.767 3.313 -23.916 1.00 5.71 H new ATOM 0 HG2 GLN A 73 10.246 1.184 -25.154 1.00 6.91 H new ATOM 0 HG3 GLN A 73 8.525 0.885 -25.291 1.00 6.91 H new ATOM 0 HE21 GLN A 73 7.264 2.125 -26.834 1.00 9.25 H new ATOM 0 HE22 GLN A 73 8.050 3.160 -28.031 1.00 9.25 H new TER 1107 GLN A 73