USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 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 48 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-6.9!) USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 37 ASN : amide:sc=-0.00976 K(o=-1.5,f=-7.7!) USER MOD Set 2.2: A 42 GLN : amide:sc= -1.54! K(o=-1.5!,f=-3.7) USER MOD Set 3.1: A 33 SER OG : rot -79:sc= 1.25 USER MOD Set 3.2: A 35 GLN : amide:sc= -1.58 K(o=-0.33,f=-3.5) USER MOD Set 4.1: A 1 MET N :NH3+ 177:sc= 0.934 (180deg=0.253) USER MOD Set 4.2: A 3 GLN : amide:sc= 0.854 K(o=1.8,f=-12!) USER MOD Single : A 1 MET CE :methyl -138:sc= 0 (180deg=-0.000877) USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.124 USER MOD Single : A 6 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 8 GLN : amide:sc= 1.15 K(o=1.2,f=-3.5!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -175:sc= 0.0693 USER MOD Single : A 19 SER OG : rot 81:sc= 1.2 USER MOD Single : A 20 SER OG : rot -28:sc= 0.394 USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= 0.301 (180deg=-0.0659) USER MOD Single : A 32 GLN : amide:sc= 0.83 K(o=0.83,f=-0.9) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.0485 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0423 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 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 -149:sc= 0.174 USER MOD Single : A 66 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-2.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.15) USER MOD Single : A 73 GLN : amide:sc= -0.825 K(o=-0.83,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.904 -12.860 -10.070 1.00 5.01 N ATOM 2 CA MET A 1 -6.837 -13.764 -9.586 1.00 4.18 C ATOM 3 C MET A 1 -5.489 -13.130 -9.916 1.00 3.24 C ATOM 4 O MET A 1 -5.364 -12.621 -11.026 1.00 3.84 O ATOM 5 CB MET A 1 -6.988 -15.186 -10.150 1.00 4.59 C ATOM 6 CG MET A 1 -6.857 -15.278 -11.678 1.00 5.04 C ATOM 7 SD MET A 1 -7.286 -16.897 -12.366 1.00 5.86 S ATOM 8 CE MET A 1 -9.099 -16.812 -12.324 1.00 6.64 C ATOM 0 H1 MET A 1 -8.832 -13.297 -9.901 1.00 5.01 H new ATOM 0 H2 MET A 1 -7.849 -11.955 -9.561 1.00 5.01 H new ATOM 0 H3 MET A 1 -7.781 -12.692 -11.089 1.00 5.01 H new ATOM 0 HA MET A 1 -6.913 -13.884 -8.505 1.00 4.18 H new ATOM 0 HB2 MET A 1 -6.234 -15.827 -9.693 1.00 4.59 H new ATOM 0 HB3 MET A 1 -7.961 -15.579 -9.856 1.00 4.59 H new ATOM 0 HG2 MET A 1 -7.497 -14.522 -12.132 1.00 5.04 H new ATOM 0 HG3 MET A 1 -5.832 -15.037 -11.958 1.00 5.04 H new ATOM 0 HE1 MET A 1 -9.500 -17.766 -11.982 1.00 6.64 H new ATOM 0 HE2 MET A 1 -9.410 -16.021 -11.641 1.00 6.64 H new ATOM 0 HE3 MET A 1 -9.476 -16.598 -13.324 1.00 6.64 H new ATOM 20 N ALA A 2 -4.533 -13.080 -8.974 1.00 2.80 N ATOM 21 CA ALA A 2 -3.230 -12.402 -9.131 1.00 2.64 C ATOM 22 C ALA A 2 -3.351 -10.888 -9.450 1.00 1.93 C ATOM 23 O ALA A 2 -2.501 -10.307 -10.121 1.00 2.34 O ATOM 24 CB ALA A 2 -2.366 -13.178 -10.142 1.00 3.46 C ATOM 0 H ALA A 2 -4.644 -13.519 -8.060 1.00 2.80 H new ATOM 0 HA ALA A 2 -2.721 -12.418 -8.167 1.00 2.64 H new ATOM 0 HB1 ALA A 2 -1.404 -12.678 -10.258 1.00 3.46 H new ATOM 0 HB2 ALA A 2 -2.206 -14.193 -9.780 1.00 3.46 H new ATOM 0 HB3 ALA A 2 -2.876 -13.213 -11.105 1.00 3.46 H new ATOM 30 N GLN A 3 -4.432 -10.247 -8.995 1.00 1.35 N ATOM 31 CA GLN A 3 -4.853 -8.891 -9.377 1.00 0.94 C ATOM 32 C GLN A 3 -4.110 -7.802 -8.584 1.00 0.93 C ATOM 33 O GLN A 3 -4.719 -6.940 -7.954 1.00 1.35 O ATOM 34 CB GLN A 3 -6.398 -8.772 -9.318 1.00 1.33 C ATOM 35 CG GLN A 3 -7.111 -8.940 -7.951 1.00 2.38 C ATOM 36 CD GLN A 3 -7.271 -10.377 -7.448 1.00 3.96 C ATOM 37 OE1 GLN A 3 -6.827 -11.339 -8.054 1.00 4.04 O ATOM 38 NE2 GLN A 3 -7.945 -10.613 -6.347 1.00 5.61 N ATOM 0 H GLN A 3 -5.067 -10.676 -8.321 1.00 1.35 H new ATOM 0 HA GLN A 3 -4.564 -8.716 -10.413 1.00 0.94 H new ATOM 0 HB2 GLN A 3 -6.668 -7.793 -9.713 1.00 1.33 H new ATOM 0 HB3 GLN A 3 -6.812 -9.515 -9.999 1.00 1.33 H new ATOM 0 HG2 GLN A 3 -6.556 -8.374 -7.203 1.00 2.38 H new ATOM 0 HG3 GLN A 3 -8.101 -8.489 -8.022 1.00 2.38 H new ATOM 0 HE21 GLN A 3 -8.333 -9.837 -5.810 1.00 5.61 H new ATOM 0 HE22 GLN A 3 -8.081 -11.572 -6.028 1.00 5.61 H new ATOM 47 N THR A 4 -2.775 -7.861 -8.563 1.00 0.80 N ATOM 48 CA THR A 4 -1.942 -7.059 -7.662 1.00 0.85 C ATOM 49 C THR A 4 -1.485 -5.770 -8.313 1.00 0.95 C ATOM 50 O THR A 4 -1.043 -5.734 -9.455 1.00 1.14 O ATOM 51 CB THR A 4 -0.798 -7.916 -7.101 1.00 0.92 C ATOM 52 OG1 THR A 4 -0.048 -7.154 -6.199 1.00 1.14 O ATOM 53 CG2 THR A 4 0.163 -8.480 -8.151 1.00 1.13 C ATOM 0 H THR A 4 -2.237 -8.473 -9.177 1.00 0.80 H new ATOM 0 HA THR A 4 -2.542 -6.740 -6.810 1.00 0.85 H new ATOM 0 HB THR A 4 -1.285 -8.769 -6.629 1.00 0.92 H new ATOM 0 HG1 THR A 4 0.578 -7.736 -5.721 1.00 1.14 H new ATOM 0 HG21 THR A 4 0.935 -9.070 -7.658 1.00 1.13 H new ATOM 0 HG22 THR A 4 -0.389 -9.113 -8.846 1.00 1.13 H new ATOM 0 HG23 THR A 4 0.627 -7.659 -8.697 1.00 1.13 H new ATOM 61 N ILE A 5 -1.536 -4.700 -7.523 1.00 0.96 N ATOM 62 CA ILE A 5 -0.795 -3.476 -7.796 1.00 1.00 C ATOM 63 C ILE A 5 0.637 -3.708 -7.315 1.00 0.72 C ATOM 64 O ILE A 5 0.853 -4.190 -6.199 1.00 0.59 O ATOM 65 CB ILE A 5 -1.438 -2.259 -7.089 1.00 1.19 C ATOM 66 CG1 ILE A 5 -2.971 -2.168 -7.261 1.00 1.67 C ATOM 67 CG2 ILE A 5 -0.773 -0.958 -7.575 1.00 1.24 C ATOM 68 CD1 ILE A 5 -3.491 -2.185 -8.706 1.00 1.51 C ATOM 0 H ILE A 5 -2.096 -4.660 -6.672 1.00 0.96 H new ATOM 0 HA ILE A 5 -0.809 -3.248 -8.862 1.00 1.00 H new ATOM 0 HB ILE A 5 -1.263 -2.401 -6.022 1.00 1.19 H new ATOM 0 HG12 ILE A 5 -3.427 -2.999 -6.723 1.00 1.67 H new ATOM 0 HG13 ILE A 5 -3.316 -1.251 -6.783 1.00 1.67 H new ATOM 0 HG21 ILE A 5 -1.231 -0.106 -7.073 1.00 1.24 H new ATOM 0 HG22 ILE A 5 0.292 -0.986 -7.345 1.00 1.24 H new ATOM 0 HG23 ILE A 5 -0.909 -0.860 -8.652 1.00 1.24 H new ATOM 0 HD11 ILE A 5 -4.579 -2.116 -8.702 1.00 1.51 H new ATOM 0 HD12 ILE A 5 -3.076 -1.338 -9.252 1.00 1.51 H new ATOM 0 HD13 ILE A 5 -3.188 -3.113 -9.191 1.00 1.51 H new ATOM 80 N ASN A 6 1.606 -3.355 -8.153 1.00 0.83 N ATOM 81 CA ASN A 6 3.019 -3.229 -7.797 1.00 0.67 C ATOM 82 C ASN A 6 3.509 -1.851 -8.258 1.00 0.57 C ATOM 83 O ASN A 6 3.521 -1.553 -9.455 1.00 0.71 O ATOM 84 CB ASN A 6 3.860 -4.390 -8.370 1.00 0.83 C ATOM 85 CG ASN A 6 3.400 -4.939 -9.720 1.00 1.37 C ATOM 86 OD1 ASN A 6 3.179 -6.129 -9.877 1.00 2.82 O ATOM 87 ND2 ASN A 6 3.214 -4.106 -10.725 1.00 1.24 N ATOM 0 H ASN A 6 1.425 -3.141 -9.134 1.00 0.83 H new ATOM 0 HA ASN A 6 3.139 -3.300 -6.716 1.00 0.67 H new ATOM 0 HB2 ASN A 6 4.892 -4.053 -8.468 1.00 0.83 H new ATOM 0 HB3 ASN A 6 3.859 -5.206 -7.647 1.00 0.83 H new ATOM 0 HD21 ASN A 6 2.888 -4.458 -11.625 1.00 1.24 H new ATOM 0 HD22 ASN A 6 3.396 -3.110 -10.602 1.00 1.24 H new ATOM 94 N LEU A 7 3.857 -0.990 -7.301 1.00 0.58 N ATOM 95 CA LEU A 7 4.211 0.415 -7.533 1.00 0.49 C ATOM 96 C LEU A 7 5.253 0.885 -6.510 1.00 0.45 C ATOM 97 O LEU A 7 5.621 0.130 -5.613 1.00 0.51 O ATOM 98 CB LEU A 7 2.924 1.276 -7.599 1.00 0.50 C ATOM 99 CG LEU A 7 2.331 1.814 -6.277 1.00 0.56 C ATOM 100 CD1 LEU A 7 1.020 2.551 -6.584 1.00 0.62 C ATOM 101 CD2 LEU A 7 2.067 0.741 -5.208 1.00 0.68 C ATOM 0 H LEU A 7 3.902 -1.255 -6.317 1.00 0.58 H new ATOM 0 HA LEU A 7 4.697 0.533 -8.502 1.00 0.49 H new ATOM 0 HB2 LEU A 7 3.129 2.131 -8.243 1.00 0.50 H new ATOM 0 HB3 LEU A 7 2.153 0.684 -8.092 1.00 0.50 H new ATOM 0 HG LEU A 7 3.085 2.478 -5.854 1.00 0.56 H new ATOM 0 HD11 LEU A 7 0.593 2.935 -5.658 1.00 0.62 H new ATOM 0 HD12 LEU A 7 1.219 3.380 -7.263 1.00 0.62 H new ATOM 0 HD13 LEU A 7 0.316 1.862 -7.050 1.00 0.62 H new ATOM 0 HD21 LEU A 7 1.652 1.210 -4.316 1.00 0.68 H new ATOM 0 HD22 LEU A 7 1.359 0.008 -5.595 1.00 0.68 H new ATOM 0 HD23 LEU A 7 3.003 0.243 -4.954 1.00 0.68 H new ATOM 113 N GLN A 8 5.742 2.112 -6.629 1.00 0.40 N ATOM 114 CA GLN A 8 6.585 2.754 -5.624 1.00 0.38 C ATOM 115 C GLN A 8 5.764 3.721 -4.769 1.00 0.37 C ATOM 116 O GLN A 8 4.675 4.169 -5.139 1.00 0.46 O ATOM 117 CB GLN A 8 7.768 3.454 -6.306 1.00 0.44 C ATOM 118 CG GLN A 8 8.943 2.516 -6.589 1.00 0.55 C ATOM 119 CD GLN A 8 9.945 3.206 -7.519 1.00 0.73 C ATOM 120 OE1 GLN A 8 10.145 2.817 -8.661 1.00 1.05 O ATOM 121 NE2 GLN A 8 10.567 4.286 -7.098 1.00 0.96 N ATOM 0 H GLN A 8 5.562 2.702 -7.441 1.00 0.40 H new ATOM 0 HA GLN A 8 6.986 1.995 -4.953 1.00 0.38 H new ATOM 0 HB2 GLN A 8 7.429 3.894 -7.244 1.00 0.44 H new ATOM 0 HB3 GLN A 8 8.110 4.274 -5.674 1.00 0.44 H new ATOM 0 HG2 GLN A 8 9.431 2.238 -5.655 1.00 0.55 H new ATOM 0 HG3 GLN A 8 8.583 1.595 -7.047 1.00 0.55 H new ATOM 0 HE21 GLN A 8 10.413 4.626 -6.149 1.00 0.96 H new ATOM 0 HE22 GLN A 8 11.203 4.784 -7.721 1.00 0.96 H new ATOM 130 N LEU A 9 6.299 4.054 -3.599 1.00 0.37 N ATOM 131 CA LEU A 9 5.614 4.897 -2.634 1.00 0.42 C ATOM 132 C LEU A 9 6.438 6.147 -2.320 1.00 0.55 C ATOM 133 O LEU A 9 7.657 6.166 -2.449 1.00 1.07 O ATOM 134 CB LEU A 9 5.232 4.050 -1.402 1.00 0.51 C ATOM 135 CG LEU A 9 3.890 4.520 -0.810 1.00 0.90 C ATOM 136 CD1 LEU A 9 2.695 4.072 -1.669 1.00 2.15 C ATOM 137 CD2 LEU A 9 3.701 3.974 0.603 1.00 1.34 C ATOM 0 H LEU A 9 7.222 3.745 -3.295 1.00 0.37 H new ATOM 0 HA LEU A 9 4.681 5.279 -3.049 1.00 0.42 H new ATOM 0 HB2 LEU A 9 5.162 3.000 -1.685 1.00 0.51 H new ATOM 0 HB3 LEU A 9 6.014 4.125 -0.647 1.00 0.51 H new ATOM 0 HG LEU A 9 3.923 5.609 -0.790 1.00 0.90 H new ATOM 0 HD11 LEU A 9 1.769 4.424 -1.216 1.00 2.15 H new ATOM 0 HD12 LEU A 9 2.790 4.490 -2.671 1.00 2.15 H new ATOM 0 HD13 LEU A 9 2.678 2.984 -1.730 1.00 2.15 H new ATOM 0 HD21 LEU A 9 2.747 4.319 1.002 1.00 1.34 H new ATOM 0 HD22 LEU A 9 3.711 2.884 0.576 1.00 1.34 H new ATOM 0 HD23 LEU A 9 4.510 4.329 1.241 1.00 1.34 H new ATOM 149 N GLU A 10 5.734 7.216 -1.970 1.00 0.65 N ATOM 150 CA GLU A 10 6.208 8.594 -1.959 1.00 0.70 C ATOM 151 C GLU A 10 5.807 9.248 -0.626 1.00 0.68 C ATOM 152 O GLU A 10 4.936 8.738 0.080 1.00 0.76 O ATOM 153 CB GLU A 10 5.583 9.273 -3.191 1.00 0.88 C ATOM 154 CG GLU A 10 6.348 10.484 -3.714 1.00 1.48 C ATOM 155 CD GLU A 10 6.033 11.742 -2.936 1.00 2.72 C ATOM 156 OE1 GLU A 10 4.856 12.154 -2.980 1.00 3.51 O ATOM 157 OE2 GLU A 10 6.982 12.244 -2.298 1.00 4.11 O ATOM 0 H GLU A 10 4.762 7.140 -1.669 1.00 0.65 H new ATOM 0 HA GLU A 10 7.293 8.681 -2.023 1.00 0.70 H new ATOM 0 HB2 GLU A 10 5.504 8.538 -3.992 1.00 0.88 H new ATOM 0 HB3 GLU A 10 4.568 9.583 -2.941 1.00 0.88 H new ATOM 0 HG2 GLU A 10 7.418 10.285 -3.661 1.00 1.48 H new ATOM 0 HG3 GLU A 10 6.104 10.639 -4.765 1.00 1.48 H new ATOM 164 N GLY A 11 6.468 10.330 -0.218 1.00 1.24 N ATOM 165 CA GLY A 11 6.330 10.944 1.110 1.00 1.48 C ATOM 166 C GLY A 11 7.178 10.242 2.175 1.00 1.38 C ATOM 167 O GLY A 11 7.839 10.929 2.944 1.00 1.73 O ATOM 0 H GLY A 11 7.134 10.820 -0.815 1.00 1.24 H new ATOM 0 HA2 GLY A 11 6.621 11.993 1.053 1.00 1.48 H new ATOM 0 HA3 GLY A 11 5.283 10.919 1.411 1.00 1.48 H new ATOM 171 N MET A 12 7.164 8.899 2.166 1.00 1.23 N ATOM 172 CA MET A 12 7.970 7.878 2.891 1.00 1.09 C ATOM 173 C MET A 12 8.898 8.329 4.051 1.00 1.13 C ATOM 174 O MET A 12 10.030 7.858 4.192 1.00 1.90 O ATOM 175 CB MET A 12 8.690 7.001 1.842 1.00 1.65 C ATOM 176 CG MET A 12 7.711 6.062 1.122 1.00 2.00 C ATOM 177 SD MET A 12 7.159 4.652 2.125 1.00 3.36 S ATOM 178 CE MET A 12 8.324 3.395 1.539 1.00 3.60 C ATOM 0 H MET A 12 6.490 8.427 1.563 1.00 1.23 H new ATOM 0 HA MET A 12 7.244 7.310 3.473 1.00 1.09 H new ATOM 0 HB2 MET A 12 9.186 7.640 1.111 1.00 1.65 H new ATOM 0 HB3 MET A 12 9.467 6.413 2.330 1.00 1.65 H new ATOM 0 HG2 MET A 12 6.838 6.635 0.810 1.00 2.00 H new ATOM 0 HG3 MET A 12 8.186 5.685 0.216 1.00 2.00 H new ATOM 0 HE1 MET A 12 8.131 2.453 2.052 1.00 3.60 H new ATOM 0 HE2 MET A 12 8.199 3.256 0.465 1.00 3.60 H new ATOM 0 HE3 MET A 12 9.344 3.719 1.747 1.00 3.60 H new ATOM 188 N ARG A 13 8.438 9.226 4.933 1.00 1.68 N ATOM 189 CA ARG A 13 9.263 9.904 5.944 1.00 2.08 C ATOM 190 C ARG A 13 9.500 9.019 7.173 1.00 1.80 C ATOM 191 O ARG A 13 8.879 9.214 8.217 1.00 3.24 O ATOM 192 CB ARG A 13 8.666 11.290 6.275 1.00 2.85 C ATOM 193 CG ARG A 13 9.665 12.258 6.947 1.00 3.88 C ATOM 194 CD ARG A 13 9.649 12.311 8.483 1.00 5.62 C ATOM 195 NE ARG A 13 8.383 12.874 8.994 1.00 7.25 N ATOM 196 CZ ARG A 13 8.225 13.695 10.028 1.00 8.82 C ATOM 197 NH1 ARG A 13 9.228 14.048 10.809 1.00 9.29 N ATOM 198 NH2 ARG A 13 7.034 14.195 10.288 1.00 10.41 N ATOM 0 H ARG A 13 7.458 9.508 4.965 1.00 1.68 H new ATOM 0 HA ARG A 13 10.257 10.081 5.532 1.00 2.08 H new ATOM 0 HB2 ARG A 13 8.297 11.745 5.356 1.00 2.85 H new ATOM 0 HB3 ARG A 13 7.806 11.157 6.932 1.00 2.85 H new ATOM 0 HG2 ARG A 13 10.671 11.985 6.627 1.00 3.88 H new ATOM 0 HG3 ARG A 13 9.471 13.262 6.570 1.00 3.88 H new ATOM 0 HD2 ARG A 13 9.790 11.307 8.884 1.00 5.62 H new ATOM 0 HD3 ARG A 13 10.485 12.915 8.836 1.00 5.62 H new ATOM 0 HE ARG A 13 7.534 12.603 8.498 1.00 7.25 H new ATOM 0 HH11 ARG A 13 10.165 13.689 10.629 1.00 9.29 H new ATOM 0 HH12 ARG A 13 9.066 14.680 11.593 1.00 9.29 H new ATOM 0 HH21 ARG A 13 6.239 13.952 9.697 1.00 10.41 H new ATOM 0 HH22 ARG A 13 6.907 14.825 11.080 1.00 10.41 H new ATOM 212 N CYS A 14 10.448 8.089 7.028 1.00 1.36 N ATOM 213 CA CYS A 14 10.983 7.160 8.043 1.00 1.90 C ATOM 214 C CYS A 14 10.088 5.915 8.206 1.00 2.37 C ATOM 215 O CYS A 14 8.919 5.907 7.821 1.00 2.96 O ATOM 216 CB CYS A 14 11.273 7.869 9.385 1.00 2.51 C ATOM 217 SG CYS A 14 12.462 9.219 9.122 1.00 3.46 S ATOM 0 H CYS A 14 10.902 7.950 6.125 1.00 1.36 H new ATOM 0 HA CYS A 14 11.946 6.802 7.678 1.00 1.90 H new ATOM 0 HB2 CYS A 14 10.348 8.263 9.806 1.00 2.51 H new ATOM 0 HB3 CYS A 14 11.672 7.155 10.105 1.00 2.51 H new ATOM 0 HG CYS A 14 12.701 9.813 10.253 1.00 3.46 H new ATOM 223 N ALA A 15 10.647 4.852 8.791 1.00 2.98 N ATOM 224 CA ALA A 15 10.088 3.493 8.770 1.00 4.04 C ATOM 225 C ALA A 15 8.778 3.279 9.567 1.00 2.75 C ATOM 226 O ALA A 15 8.341 2.144 9.705 1.00 3.40 O ATOM 227 CB ALA A 15 11.201 2.542 9.236 1.00 6.10 C ATOM 0 H ALA A 15 11.525 4.912 9.307 1.00 2.98 H new ATOM 0 HA ALA A 15 9.770 3.287 7.748 1.00 4.04 H new ATOM 0 HB1 ALA A 15 10.828 1.518 9.236 1.00 6.10 H new ATOM 0 HB2 ALA A 15 12.052 2.619 8.559 1.00 6.10 H new ATOM 0 HB3 ALA A 15 11.514 2.814 10.244 1.00 6.10 H new ATOM 233 N ALA A 16 8.161 4.341 10.095 1.00 1.95 N ATOM 234 CA ALA A 16 6.926 4.294 10.877 1.00 1.57 C ATOM 235 C ALA A 16 5.696 3.977 10.003 1.00 1.24 C ATOM 236 O ALA A 16 5.284 2.823 9.895 1.00 1.32 O ATOM 237 CB ALA A 16 6.807 5.614 11.660 1.00 2.94 C ATOM 0 H ALA A 16 8.522 5.289 9.985 1.00 1.95 H new ATOM 0 HA ALA A 16 6.963 3.471 11.591 1.00 1.57 H new ATOM 0 HB1 ALA A 16 5.892 5.604 12.253 1.00 2.94 H new ATOM 0 HB2 ALA A 16 7.667 5.724 12.321 1.00 2.94 H new ATOM 0 HB3 ALA A 16 6.778 6.450 10.961 1.00 2.94 H new ATOM 243 N CYS A 17 5.081 4.981 9.366 1.00 1.02 N ATOM 244 CA CYS A 17 3.774 4.858 8.724 1.00 0.78 C ATOM 245 C CYS A 17 3.709 3.863 7.548 1.00 0.67 C ATOM 246 O CYS A 17 2.606 3.496 7.154 1.00 0.70 O ATOM 247 CB CYS A 17 3.312 6.256 8.288 1.00 1.07 C ATOM 248 SG CYS A 17 3.476 7.501 9.597 1.00 1.81 S ATOM 0 H CYS A 17 5.486 5.913 9.283 1.00 1.02 H new ATOM 0 HA CYS A 17 3.100 4.431 9.467 1.00 0.78 H new ATOM 0 HB2 CYS A 17 3.893 6.570 7.421 1.00 1.07 H new ATOM 0 HB3 CYS A 17 2.270 6.205 7.972 1.00 1.07 H new ATOM 0 HG CYS A 17 2.969 8.627 9.191 1.00 1.81 H new ATOM 254 N ALA A 18 4.849 3.422 6.997 1.00 0.71 N ATOM 255 CA ALA A 18 4.903 2.542 5.824 1.00 0.75 C ATOM 256 C ALA A 18 4.174 1.216 6.080 1.00 0.69 C ATOM 257 O ALA A 18 3.147 0.941 5.473 1.00 0.73 O ATOM 258 CB ALA A 18 6.374 2.322 5.432 1.00 0.88 C ATOM 0 H ALA A 18 5.770 3.670 7.359 1.00 0.71 H new ATOM 0 HA ALA A 18 4.383 3.018 4.993 1.00 0.75 H new ATOM 0 HB1 ALA A 18 6.425 1.669 4.561 1.00 0.88 H new ATOM 0 HB2 ALA A 18 6.834 3.281 5.194 1.00 0.88 H new ATOM 0 HB3 ALA A 18 6.907 1.860 6.263 1.00 0.88 H new ATOM 264 N SER A 19 4.637 0.422 7.042 1.00 0.73 N ATOM 265 CA SER A 19 3.965 -0.841 7.399 1.00 0.78 C ATOM 266 C SER A 19 2.609 -0.614 8.112 1.00 0.67 C ATOM 267 O SER A 19 1.753 -1.496 8.170 1.00 0.67 O ATOM 268 CB SER A 19 4.925 -1.717 8.206 1.00 1.02 C ATOM 269 OG SER A 19 4.505 -3.063 8.179 1.00 1.77 O ATOM 0 H SER A 19 5.472 0.623 7.592 1.00 0.73 H new ATOM 0 HA SER A 19 3.709 -1.371 6.481 1.00 0.78 H new ATOM 0 HB2 SER A 19 5.932 -1.636 7.797 1.00 1.02 H new ATOM 0 HB3 SER A 19 4.970 -1.364 9.236 1.00 1.02 H new ATOM 0 HG SER A 19 4.790 -3.478 7.338 1.00 1.77 H new ATOM 275 N SER A 20 2.324 0.611 8.579 1.00 0.66 N ATOM 276 CA SER A 20 0.967 0.981 9.012 1.00 0.65 C ATOM 277 C SER A 20 -0.052 1.057 7.853 1.00 0.57 C ATOM 278 O SER A 20 -1.257 1.151 8.110 1.00 0.69 O ATOM 279 CB SER A 20 0.970 2.289 9.808 1.00 0.74 C ATOM 280 OG SER A 20 -0.294 2.468 10.421 1.00 1.24 O ATOM 0 H SER A 20 3.011 1.360 8.666 1.00 0.66 H new ATOM 0 HA SER A 20 0.638 0.171 9.663 1.00 0.65 H new ATOM 0 HB2 SER A 20 1.754 2.265 10.565 1.00 0.74 H new ATOM 0 HB3 SER A 20 1.189 3.129 9.148 1.00 0.74 H new ATOM 0 HG SER A 20 -0.983 2.021 9.886 1.00 1.24 H new ATOM 286 N ILE A 21 0.402 1.001 6.595 1.00 0.48 N ATOM 287 CA ILE A 21 -0.433 0.701 5.416 1.00 0.46 C ATOM 288 C ILE A 21 -0.842 -0.770 5.475 1.00 0.51 C ATOM 289 O ILE A 21 -2.019 -1.069 5.645 1.00 0.61 O ATOM 290 CB ILE A 21 0.338 1.044 4.114 1.00 0.51 C ATOM 291 CG1 ILE A 21 0.632 2.561 4.094 1.00 0.55 C ATOM 292 CG2 ILE A 21 -0.395 0.564 2.852 1.00 0.60 C ATOM 293 CD1 ILE A 21 1.640 2.995 3.033 1.00 0.69 C ATOM 0 H ILE A 21 1.380 1.166 6.359 1.00 0.48 H new ATOM 0 HA ILE A 21 -1.336 1.312 5.418 1.00 0.46 H new ATOM 0 HB ILE A 21 1.284 0.503 4.108 1.00 0.51 H new ATOM 0 HG12 ILE A 21 -0.303 3.098 3.931 1.00 0.55 H new ATOM 0 HG13 ILE A 21 1.004 2.859 5.074 1.00 0.55 H new ATOM 0 HG21 ILE A 21 0.188 0.829 1.970 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -0.519 -0.518 2.893 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -1.374 1.040 2.797 1.00 0.60 H new ATOM 0 HD11 ILE A 21 1.787 4.074 3.090 1.00 0.69 H new ATOM 0 HD12 ILE A 21 2.590 2.490 3.206 1.00 0.69 H new ATOM 0 HD13 ILE A 21 1.264 2.732 2.044 1.00 0.69 H new ATOM 305 N GLU A 22 0.134 -1.676 5.433 1.00 0.51 N ATOM 306 CA GLU A 22 -0.046 -3.130 5.414 1.00 0.58 C ATOM 307 C GLU A 22 -0.976 -3.588 6.551 1.00 0.60 C ATOM 308 O GLU A 22 -2.012 -4.207 6.302 1.00 0.72 O ATOM 309 CB GLU A 22 1.334 -3.819 5.507 1.00 0.63 C ATOM 310 CG GLU A 22 2.344 -3.338 4.447 1.00 0.73 C ATOM 311 CD GLU A 22 3.712 -3.988 4.637 1.00 0.79 C ATOM 312 OE1 GLU A 22 4.320 -3.718 5.700 1.00 2.17 O ATOM 313 OE2 GLU A 22 4.160 -4.697 3.706 1.00 1.79 O ATOM 0 H GLU A 22 1.117 -1.406 5.410 1.00 0.51 H new ATOM 0 HA GLU A 22 -0.521 -3.417 4.476 1.00 0.58 H new ATOM 0 HB2 GLU A 22 1.751 -3.643 6.499 1.00 0.63 H new ATOM 0 HB3 GLU A 22 1.199 -4.896 5.404 1.00 0.63 H new ATOM 0 HG2 GLU A 22 1.966 -3.570 3.452 1.00 0.73 H new ATOM 0 HG3 GLU A 22 2.444 -2.254 4.505 1.00 0.73 H new ATOM 320 N ARG A 23 -0.690 -3.195 7.801 1.00 0.59 N ATOM 321 CA ARG A 23 -1.501 -3.551 8.981 1.00 0.71 C ATOM 322 C ARG A 23 -2.959 -3.044 8.916 1.00 0.72 C ATOM 323 O ARG A 23 -3.839 -3.609 9.573 1.00 0.79 O ATOM 324 CB ARG A 23 -0.767 -3.042 10.235 1.00 0.80 C ATOM 325 CG ARG A 23 -1.357 -3.582 11.555 1.00 1.07 C ATOM 326 CD ARG A 23 -0.429 -3.319 12.752 1.00 2.49 C ATOM 327 NE ARG A 23 -1.052 -3.742 14.026 1.00 2.94 N ATOM 328 CZ ARG A 23 -0.429 -4.166 15.125 1.00 3.46 C ATOM 329 NH1 ARG A 23 0.882 -4.285 15.187 1.00 4.16 N ATOM 330 NH2 ARG A 23 -1.134 -4.477 16.194 1.00 3.87 N ATOM 0 H ARG A 23 0.118 -2.615 8.026 1.00 0.59 H new ATOM 0 HA ARG A 23 -1.601 -4.636 9.014 1.00 0.71 H new ATOM 0 HB2 ARG A 23 0.283 -3.327 10.172 1.00 0.80 H new ATOM 0 HB3 ARG A 23 -0.802 -1.953 10.250 1.00 0.80 H new ATOM 0 HG2 ARG A 23 -2.325 -3.115 11.737 1.00 1.07 H new ATOM 0 HG3 ARG A 23 -1.533 -4.654 11.462 1.00 1.07 H new ATOM 0 HD2 ARG A 23 0.510 -3.854 12.610 1.00 2.49 H new ATOM 0 HD3 ARG A 23 -0.187 -2.257 12.799 1.00 2.49 H new ATOM 0 HE ARG A 23 -2.070 -3.705 14.067 1.00 2.94 H new ATOM 0 HH11 ARG A 23 1.454 -4.049 14.376 1.00 4.16 H new ATOM 0 HH12 ARG A 23 1.324 -4.613 16.046 1.00 4.16 H new ATOM 0 HH21 ARG A 23 -2.150 -4.393 16.177 1.00 3.87 H new ATOM 0 HH22 ARG A 23 -0.663 -4.802 17.038 1.00 3.87 H new ATOM 344 N ALA A 24 -3.220 -1.978 8.151 1.00 0.68 N ATOM 345 CA ALA A 24 -4.554 -1.423 7.896 1.00 0.76 C ATOM 346 C ALA A 24 -5.245 -2.086 6.689 1.00 0.74 C ATOM 347 O ALA A 24 -6.406 -2.471 6.790 1.00 0.82 O ATOM 348 CB ALA A 24 -4.420 0.097 7.721 1.00 0.81 C ATOM 0 H ALA A 24 -2.481 -1.460 7.675 1.00 0.68 H new ATOM 0 HA ALA A 24 -5.199 -1.636 8.748 1.00 0.76 H new ATOM 0 HB1 ALA A 24 -5.402 0.529 7.530 1.00 0.81 H new ATOM 0 HB2 ALA A 24 -4.002 0.532 8.629 1.00 0.81 H new ATOM 0 HB3 ALA A 24 -3.760 0.310 6.880 1.00 0.81 H new ATOM 354 N ILE A 25 -4.530 -2.293 5.583 1.00 0.68 N ATOM 355 CA ILE A 25 -5.015 -2.973 4.371 1.00 0.71 C ATOM 356 C ILE A 25 -5.341 -4.444 4.639 1.00 0.65 C ATOM 357 O ILE A 25 -6.286 -4.974 4.059 1.00 0.66 O ATOM 358 CB ILE A 25 -3.982 -2.777 3.242 1.00 0.78 C ATOM 359 CG1 ILE A 25 -4.021 -1.294 2.797 1.00 0.94 C ATOM 360 CG2 ILE A 25 -4.237 -3.718 2.056 1.00 0.82 C ATOM 361 CD1 ILE A 25 -3.227 -0.950 1.534 1.00 1.17 C ATOM 0 H ILE A 25 -3.562 -1.983 5.498 1.00 0.68 H new ATOM 0 HA ILE A 25 -5.957 -2.527 4.051 1.00 0.71 H new ATOM 0 HB ILE A 25 -2.991 -3.028 3.620 1.00 0.78 H new ATOM 0 HG12 ILE A 25 -5.061 -1.011 2.636 1.00 0.94 H new ATOM 0 HG13 ILE A 25 -3.646 -0.680 3.616 1.00 0.94 H new ATOM 0 HG21 ILE A 25 -3.486 -3.544 1.286 1.00 0.82 H new ATOM 0 HG22 ILE A 25 -4.178 -4.753 2.393 1.00 0.82 H new ATOM 0 HG23 ILE A 25 -5.228 -3.526 1.646 1.00 0.82 H new ATOM 0 HD11 ILE A 25 -3.328 0.114 1.320 1.00 1.17 H new ATOM 0 HD12 ILE A 25 -2.175 -1.191 1.688 1.00 1.17 H new ATOM 0 HD13 ILE A 25 -3.612 -1.527 0.694 1.00 1.17 H new ATOM 373 N ALA A 26 -4.677 -5.056 5.617 1.00 0.61 N ATOM 374 CA ALA A 26 -5.021 -6.356 6.197 1.00 0.62 C ATOM 375 C ALA A 26 -6.482 -6.480 6.702 1.00 0.69 C ATOM 376 O ALA A 26 -6.855 -7.520 7.241 1.00 0.83 O ATOM 377 CB ALA A 26 -4.008 -6.638 7.316 1.00 0.61 C ATOM 0 H ALA A 26 -3.849 -4.643 6.047 1.00 0.61 H new ATOM 0 HA ALA A 26 -4.964 -7.105 5.407 1.00 0.62 H new ATOM 0 HB1 ALA A 26 -4.231 -7.601 7.775 1.00 0.61 H new ATOM 0 HB2 ALA A 26 -3.001 -6.659 6.899 1.00 0.61 H new ATOM 0 HB3 ALA A 26 -4.071 -5.854 8.070 1.00 0.61 H new ATOM 383 N LYS A 27 -7.295 -5.416 6.664 1.00 0.70 N ATOM 384 CA LYS A 27 -8.737 -5.420 6.912 1.00 0.79 C ATOM 385 C LYS A 27 -9.582 -5.386 5.616 1.00 0.76 C ATOM 386 O LYS A 27 -10.775 -5.671 5.679 1.00 0.76 O ATOM 387 CB LYS A 27 -9.085 -4.213 7.791 1.00 0.89 C ATOM 388 CG LYS A 27 -8.672 -4.370 9.259 1.00 1.10 C ATOM 389 CD LYS A 27 -7.168 -4.398 9.594 1.00 1.37 C ATOM 390 CE LYS A 27 -6.749 -5.541 10.530 1.00 2.49 C ATOM 391 NZ LYS A 27 -6.974 -6.882 9.934 1.00 4.54 N ATOM 0 H LYS A 27 -6.944 -4.483 6.448 1.00 0.70 H new ATOM 0 HA LYS A 27 -8.982 -6.357 7.412 1.00 0.79 H new ATOM 0 HB2 LYS A 27 -8.601 -3.327 7.381 1.00 0.89 H new ATOM 0 HB3 LYS A 27 -10.160 -4.040 7.743 1.00 0.89 H new ATOM 0 HG2 LYS A 27 -9.123 -3.552 9.821 1.00 1.10 H new ATOM 0 HG3 LYS A 27 -9.113 -5.294 9.632 1.00 1.10 H new ATOM 0 HD2 LYS A 27 -6.603 -4.479 8.666 1.00 1.37 H new ATOM 0 HD3 LYS A 27 -6.893 -3.449 10.053 1.00 1.37 H new ATOM 0 HE2 LYS A 27 -5.694 -5.432 10.780 1.00 2.49 H new ATOM 0 HE3 LYS A 27 -7.307 -5.464 11.463 1.00 2.49 H new ATOM 0 HZ1 LYS A 27 -7.632 -7.421 10.532 1.00 4.54 H new ATOM 0 HZ2 LYS A 27 -7.379 -6.775 8.982 1.00 4.54 H new ATOM 0 HZ3 LYS A 27 -6.069 -7.390 9.870 1.00 4.54 H new ATOM 405 N VAL A 28 -9.000 -5.038 4.467 1.00 0.76 N ATOM 406 CA VAL A 28 -9.688 -4.984 3.169 1.00 0.73 C ATOM 407 C VAL A 28 -9.885 -6.424 2.688 1.00 0.72 C ATOM 408 O VAL A 28 -8.900 -7.161 2.625 1.00 0.72 O ATOM 409 CB VAL A 28 -8.896 -4.166 2.116 1.00 0.77 C ATOM 410 CG1 VAL A 28 -9.657 -4.087 0.782 1.00 1.12 C ATOM 411 CG2 VAL A 28 -8.648 -2.728 2.605 1.00 1.05 C ATOM 0 H VAL A 28 -8.015 -4.779 4.408 1.00 0.76 H new ATOM 0 HA VAL A 28 -10.645 -4.477 3.293 1.00 0.73 H new ATOM 0 HB VAL A 28 -7.947 -4.681 1.971 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -9.076 -3.507 0.065 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -9.814 -5.093 0.393 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -10.621 -3.605 0.941 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -8.091 -2.177 1.847 1.00 1.05 H new ATOM 0 HG22 VAL A 28 -9.603 -2.234 2.783 1.00 1.05 H new ATOM 0 HG23 VAL A 28 -8.074 -2.753 3.531 1.00 1.05 H new ATOM 421 N PRO A 29 -11.120 -6.852 2.358 1.00 0.88 N ATOM 422 CA PRO A 29 -11.426 -8.265 2.169 1.00 1.11 C ATOM 423 C PRO A 29 -10.660 -8.904 1.004 1.00 1.20 C ATOM 424 O PRO A 29 -10.365 -10.092 1.068 1.00 2.38 O ATOM 425 CB PRO A 29 -12.945 -8.348 1.981 1.00 1.35 C ATOM 426 CG PRO A 29 -13.343 -6.941 1.539 1.00 1.32 C ATOM 427 CD PRO A 29 -12.339 -6.061 2.279 1.00 1.02 C ATOM 0 HA PRO A 29 -11.101 -8.839 3.037 1.00 1.11 H new ATOM 0 HB2 PRO A 29 -13.214 -9.092 1.231 1.00 1.35 H new ATOM 0 HB3 PRO A 29 -13.446 -8.632 2.906 1.00 1.35 H new ATOM 0 HG2 PRO A 29 -13.269 -6.820 0.458 1.00 1.32 H new ATOM 0 HG3 PRO A 29 -14.370 -6.705 1.816 1.00 1.32 H new ATOM 0 HD2 PRO A 29 -12.167 -5.126 1.746 1.00 1.02 H new ATOM 0 HD3 PRO A 29 -12.703 -5.799 3.272 1.00 1.02 H new ATOM 435 N GLY A 30 -10.271 -8.131 -0.021 1.00 0.89 N ATOM 436 CA GLY A 30 -9.512 -8.621 -1.181 1.00 0.94 C ATOM 437 C GLY A 30 -8.003 -8.792 -0.963 1.00 0.72 C ATOM 438 O GLY A 30 -7.282 -9.006 -1.935 1.00 0.85 O ATOM 0 H GLY A 30 -10.478 -7.133 -0.068 1.00 0.89 H new ATOM 0 HA2 GLY A 30 -9.928 -9.582 -1.485 1.00 0.94 H new ATOM 0 HA3 GLY A 30 -9.665 -7.931 -2.010 1.00 0.94 H new ATOM 442 N VAL A 31 -7.515 -8.657 0.275 1.00 0.56 N ATOM 443 CA VAL A 31 -6.087 -8.764 0.618 1.00 0.53 C ATOM 444 C VAL A 31 -5.578 -10.193 0.372 1.00 0.53 C ATOM 445 O VAL A 31 -5.803 -11.100 1.167 1.00 0.76 O ATOM 446 CB VAL A 31 -5.773 -8.219 2.037 1.00 0.56 C ATOM 447 CG1 VAL A 31 -6.381 -9.001 3.218 1.00 0.94 C ATOM 448 CG2 VAL A 31 -4.253 -8.082 2.230 1.00 0.76 C ATOM 0 H VAL A 31 -8.109 -8.467 1.082 1.00 0.56 H new ATOM 0 HA VAL A 31 -5.526 -8.113 -0.052 1.00 0.53 H new ATOM 0 HB VAL A 31 -6.267 -7.248 2.065 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -6.093 -8.526 4.156 1.00 0.94 H new ATOM 0 HG12 VAL A 31 -7.468 -9.004 3.132 1.00 0.94 H new ATOM 0 HG13 VAL A 31 -6.013 -10.027 3.203 1.00 0.94 H new ATOM 0 HG21 VAL A 31 -4.046 -7.699 3.229 1.00 0.76 H new ATOM 0 HG22 VAL A 31 -3.782 -9.058 2.111 1.00 0.76 H new ATOM 0 HG23 VAL A 31 -3.853 -7.392 1.487 1.00 0.76 H new ATOM 458 N GLN A 32 -4.881 -10.386 -0.751 1.00 0.53 N ATOM 459 CA GLN A 32 -4.152 -11.627 -1.063 1.00 0.64 C ATOM 460 C GLN A 32 -2.623 -11.442 -1.022 1.00 0.90 C ATOM 461 O GLN A 32 -1.897 -12.328 -1.456 1.00 1.56 O ATOM 462 CB GLN A 32 -4.689 -12.300 -2.347 1.00 0.83 C ATOM 463 CG GLN A 32 -4.443 -11.507 -3.640 1.00 1.03 C ATOM 464 CD GLN A 32 -3.503 -12.178 -4.653 1.00 1.58 C ATOM 465 OE1 GLN A 32 -3.848 -12.425 -5.802 1.00 2.11 O ATOM 466 NE2 GLN A 32 -2.274 -12.470 -4.280 1.00 1.73 N ATOM 0 H GLN A 32 -4.804 -9.678 -1.481 1.00 0.53 H new ATOM 0 HA GLN A 32 -4.355 -12.339 -0.263 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -4.227 -13.282 -2.446 1.00 0.83 H new ATOM 0 HB3 GLN A 32 -5.761 -12.462 -2.235 1.00 0.83 H new ATOM 0 HG2 GLN A 32 -5.403 -11.326 -4.124 1.00 1.03 H new ATOM 0 HG3 GLN A 32 -4.031 -10.533 -3.376 1.00 1.03 H new ATOM 0 HE21 GLN A 32 -1.969 -12.271 -3.327 1.00 1.73 H new ATOM 0 HE22 GLN A 32 -1.627 -12.895 -4.944 1.00 1.73 H new ATOM 475 N SER A 33 -2.141 -10.313 -0.486 1.00 0.64 N ATOM 476 CA SER A 33 -1.066 -10.213 0.534 1.00 0.81 C ATOM 477 C SER A 33 -0.223 -8.937 0.389 1.00 0.59 C ATOM 478 O SER A 33 0.087 -8.525 -0.728 1.00 0.86 O ATOM 479 CB SER A 33 -0.165 -11.452 0.660 1.00 1.47 C ATOM 480 OG SER A 33 0.668 -11.309 1.795 1.00 2.32 O ATOM 0 H SER A 33 -2.500 -9.398 -0.758 1.00 0.64 H new ATOM 0 HA SER A 33 -1.618 -10.156 1.472 1.00 0.81 H new ATOM 0 HB2 SER A 33 -0.774 -12.351 0.752 1.00 1.47 H new ATOM 0 HB3 SER A 33 0.441 -11.568 -0.238 1.00 1.47 H new ATOM 0 HG SER A 33 1.417 -10.716 1.578 1.00 2.32 H new ATOM 486 N CYS A 34 0.157 -8.317 1.517 1.00 0.73 N ATOM 487 CA CYS A 34 0.862 -7.032 1.567 1.00 0.66 C ATOM 488 C CYS A 34 2.367 -7.201 1.812 1.00 0.70 C ATOM 489 O CYS A 34 2.772 -7.879 2.756 1.00 1.16 O ATOM 490 CB CYS A 34 0.287 -6.173 2.705 1.00 0.78 C ATOM 491 SG CYS A 34 -1.492 -5.872 2.571 1.00 1.14 S ATOM 0 H CYS A 34 -0.023 -8.708 2.442 1.00 0.73 H new ATOM 0 HA CYS A 34 0.721 -6.553 0.598 1.00 0.66 H new ATOM 0 HB2 CYS A 34 0.492 -6.664 3.656 1.00 0.78 H new ATOM 0 HB3 CYS A 34 0.807 -5.215 2.722 1.00 0.78 H new ATOM 0 HG CYS A 34 -1.885 -5.143 3.573 1.00 1.14 H new ATOM 497 N GLN A 35 3.170 -6.552 0.971 1.00 0.43 N ATOM 498 CA GLN A 35 4.618 -6.470 1.121 1.00 0.45 C ATOM 499 C GLN A 35 5.110 -5.090 0.644 1.00 0.42 C ATOM 500 O GLN A 35 4.939 -4.738 -0.526 1.00 0.50 O ATOM 501 CB GLN A 35 5.323 -7.591 0.323 1.00 0.57 C ATOM 502 CG GLN A 35 4.932 -9.057 0.629 1.00 1.19 C ATOM 503 CD GLN A 35 3.549 -9.514 0.138 1.00 2.07 C ATOM 504 OE1 GLN A 35 2.891 -10.348 0.744 1.00 3.50 O ATOM 505 NE2 GLN A 35 3.021 -8.984 -0.949 1.00 2.38 N ATOM 0 H GLN A 35 2.822 -6.058 0.149 1.00 0.43 H new ATOM 0 HA GLN A 35 4.865 -6.600 2.175 1.00 0.45 H new ATOM 0 HB2 GLN A 35 5.142 -7.411 -0.737 1.00 0.57 H new ATOM 0 HB3 GLN A 35 6.396 -7.491 0.484 1.00 0.57 H new ATOM 0 HG2 GLN A 35 5.684 -9.710 0.187 1.00 1.19 H new ATOM 0 HG3 GLN A 35 4.977 -9.204 1.708 1.00 1.19 H new ATOM 0 HE21 GLN A 35 3.541 -8.285 -1.480 1.00 2.38 H new ATOM 0 HE22 GLN A 35 2.093 -9.273 -1.258 1.00 2.38 H new ATOM 514 N VAL A 36 5.738 -4.331 1.544 1.00 0.44 N ATOM 515 CA VAL A 36 6.434 -3.053 1.310 1.00 0.43 C ATOM 516 C VAL A 36 7.954 -3.212 1.492 1.00 0.47 C ATOM 517 O VAL A 36 8.418 -4.065 2.249 1.00 0.83 O ATOM 518 CB VAL A 36 5.867 -1.944 2.238 1.00 0.69 C ATOM 519 CG1 VAL A 36 6.422 -1.971 3.675 1.00 1.79 C ATOM 520 CG2 VAL A 36 6.105 -0.536 1.663 1.00 1.16 C ATOM 0 H VAL A 36 5.780 -4.607 2.525 1.00 0.44 H new ATOM 0 HA VAL A 36 6.257 -2.750 0.278 1.00 0.43 H new ATOM 0 HB VAL A 36 4.801 -2.166 2.284 1.00 0.69 H new ATOM 0 HG11 VAL A 36 5.973 -1.164 4.254 1.00 1.79 H new ATOM 0 HG12 VAL A 36 6.182 -2.927 4.140 1.00 1.79 H new ATOM 0 HG13 VAL A 36 7.504 -1.841 3.650 1.00 1.79 H new ATOM 0 HG21 VAL A 36 5.693 0.209 2.343 1.00 1.16 H new ATOM 0 HG22 VAL A 36 7.175 -0.367 1.545 1.00 1.16 H new ATOM 0 HG23 VAL A 36 5.615 -0.452 0.693 1.00 1.16 H new ATOM 530 N ASN A 37 8.741 -2.367 0.817 1.00 0.39 N ATOM 531 CA ASN A 37 10.202 -2.400 0.843 1.00 0.43 C ATOM 532 C ASN A 37 10.781 -1.014 1.172 1.00 0.48 C ATOM 533 O ASN A 37 10.977 -0.170 0.292 1.00 0.54 O ATOM 534 CB ASN A 37 10.683 -2.947 -0.509 1.00 0.59 C ATOM 535 CG ASN A 37 12.190 -3.165 -0.595 1.00 0.87 C ATOM 536 OD1 ASN A 37 12.989 -2.391 -0.084 1.00 0.88 O ATOM 537 ND2 ASN A 37 12.621 -4.194 -1.297 1.00 1.42 N ATOM 0 H ASN A 37 8.368 -1.625 0.225 1.00 0.39 H new ATOM 0 HA ASN A 37 10.561 -3.057 1.635 1.00 0.43 H new ATOM 0 HB2 ASN A 37 10.179 -3.893 -0.706 1.00 0.59 H new ATOM 0 HB3 ASN A 37 10.382 -2.256 -1.296 1.00 0.59 H new ATOM 0 HD21 ASN A 37 13.622 -4.347 -1.416 1.00 1.42 H new ATOM 0 HD22 ASN A 37 11.953 -4.837 -1.722 1.00 1.42 H new ATOM 544 N PHE A 38 11.126 -0.799 2.449 1.00 0.57 N ATOM 545 CA PHE A 38 11.675 0.463 2.966 1.00 0.72 C ATOM 546 C PHE A 38 13.179 0.664 2.648 1.00 0.84 C ATOM 547 O PHE A 38 13.938 1.175 3.468 1.00 1.04 O ATOM 548 CB PHE A 38 11.321 0.606 4.462 1.00 0.84 C ATOM 549 CG PHE A 38 11.223 2.059 4.890 1.00 1.25 C ATOM 550 CD1 PHE A 38 10.055 2.788 4.595 1.00 1.87 C ATOM 551 CD2 PHE A 38 12.321 2.715 5.477 1.00 2.75 C ATOM 552 CE1 PHE A 38 10.009 4.172 4.821 1.00 2.51 C ATOM 553 CE2 PHE A 38 12.281 4.103 5.695 1.00 3.52 C ATOM 554 CZ PHE A 38 11.134 4.832 5.343 1.00 3.04 C ATOM 0 H PHE A 38 11.029 -1.515 3.169 1.00 0.57 H new ATOM 0 HA PHE A 38 11.200 1.286 2.433 1.00 0.72 H new ATOM 0 HB2 PHE A 38 10.373 0.106 4.659 1.00 0.84 H new ATOM 0 HB3 PHE A 38 12.078 0.102 5.063 1.00 0.84 H new ATOM 0 HD1 PHE A 38 9.191 2.280 4.193 1.00 1.87 H new ATOM 0 HD2 PHE A 38 13.197 2.150 5.761 1.00 2.75 H new ATOM 0 HE1 PHE A 38 9.111 4.728 4.594 1.00 2.51 H new ATOM 0 HE2 PHE A 38 13.130 4.607 6.132 1.00 3.52 H new ATOM 0 HZ PHE A 38 11.116 5.904 5.474 1.00 3.04 H new ATOM 564 N ALA A 39 13.618 0.240 1.459 1.00 0.86 N ATOM 565 CA ALA A 39 14.955 0.481 0.913 1.00 0.99 C ATOM 566 C ALA A 39 14.902 0.780 -0.595 1.00 0.94 C ATOM 567 O ALA A 39 15.720 1.547 -1.089 1.00 1.16 O ATOM 568 CB ALA A 39 15.834 -0.741 1.216 1.00 1.10 C ATOM 0 H ALA A 39 13.028 -0.301 0.827 1.00 0.86 H new ATOM 0 HA ALA A 39 15.387 1.363 1.385 1.00 0.99 H new ATOM 0 HB1 ALA A 39 16.835 -0.578 0.816 1.00 1.10 H new ATOM 0 HB2 ALA A 39 15.894 -0.887 2.294 1.00 1.10 H new ATOM 0 HB3 ALA A 39 15.398 -1.626 0.753 1.00 1.10 H new ATOM 574 N LEU A 40 13.929 0.209 -1.321 1.00 0.76 N ATOM 575 CA LEU A 40 13.751 0.332 -2.760 1.00 0.77 C ATOM 576 C LEU A 40 12.325 0.860 -3.115 1.00 0.65 C ATOM 577 O LEU A 40 11.829 0.710 -4.228 1.00 0.73 O ATOM 578 CB LEU A 40 14.196 -1.066 -3.259 1.00 0.85 C ATOM 579 CG LEU A 40 13.776 -1.492 -4.655 1.00 0.88 C ATOM 580 CD1 LEU A 40 14.315 -0.572 -5.761 1.00 0.94 C ATOM 581 CD2 LEU A 40 14.210 -2.940 -4.929 1.00 1.01 C ATOM 0 H LEU A 40 13.214 -0.378 -0.891 1.00 0.76 H new ATOM 0 HA LEU A 40 14.341 1.091 -3.274 1.00 0.77 H new ATOM 0 HB2 LEU A 40 15.284 -1.107 -3.211 1.00 0.85 H new ATOM 0 HB3 LEU A 40 13.818 -1.808 -2.556 1.00 0.85 H new ATOM 0 HG LEU A 40 12.689 -1.416 -4.680 1.00 0.88 H new ATOM 0 HD11 LEU A 40 13.977 -0.934 -6.732 1.00 0.94 H new ATOM 0 HD12 LEU A 40 13.946 0.441 -5.603 1.00 0.94 H new ATOM 0 HD13 LEU A 40 15.405 -0.570 -5.734 1.00 0.94 H new ATOM 0 HD21 LEU A 40 13.901 -3.229 -5.934 1.00 1.01 H new ATOM 0 HD22 LEU A 40 15.294 -3.017 -4.847 1.00 1.01 H new ATOM 0 HD23 LEU A 40 13.743 -3.604 -4.201 1.00 1.01 H new ATOM 593 N GLU A 41 11.647 1.480 -2.142 1.00 0.57 N ATOM 594 CA GLU A 41 10.399 2.259 -2.262 1.00 0.51 C ATOM 595 C GLU A 41 9.138 1.462 -2.648 1.00 0.38 C ATOM 596 O GLU A 41 8.054 2.049 -2.641 1.00 0.36 O ATOM 597 CB GLU A 41 10.538 3.434 -3.255 1.00 0.71 C ATOM 598 CG GLU A 41 11.369 4.623 -2.766 1.00 0.91 C ATOM 599 CD GLU A 41 11.193 5.835 -3.692 1.00 1.18 C ATOM 600 OE1 GLU A 41 10.538 5.711 -4.761 1.00 2.04 O ATOM 601 OE2 GLU A 41 11.705 6.922 -3.360 1.00 1.93 O ATOM 0 H GLU A 41 11.977 1.451 -1.177 1.00 0.57 H new ATOM 0 HA GLU A 41 10.252 2.616 -1.243 1.00 0.51 H new ATOM 0 HB2 GLU A 41 10.984 3.057 -4.175 1.00 0.71 H new ATOM 0 HB3 GLU A 41 9.540 3.792 -3.508 1.00 0.71 H new ATOM 0 HG2 GLU A 41 11.069 4.889 -1.752 1.00 0.91 H new ATOM 0 HG3 GLU A 41 12.422 4.343 -2.724 1.00 0.91 H new ATOM 608 N GLN A 42 9.218 0.183 -3.038 1.00 0.41 N ATOM 609 CA GLN A 42 8.025 -0.489 -3.567 1.00 0.42 C ATOM 610 C GLN A 42 6.985 -0.826 -2.495 1.00 0.40 C ATOM 611 O GLN A 42 7.328 -1.184 -1.370 1.00 0.42 O ATOM 612 CB GLN A 42 8.323 -1.723 -4.435 1.00 0.50 C ATOM 613 CG GLN A 42 8.592 -3.073 -3.704 1.00 0.58 C ATOM 614 CD GLN A 42 9.982 -3.685 -3.890 1.00 0.60 C ATOM 615 OE1 GLN A 42 10.381 -4.591 -3.179 1.00 1.07 O ATOM 616 NE2 GLN A 42 10.799 -3.236 -4.816 1.00 1.14 N ATOM 0 H GLN A 42 10.062 -0.389 -3.000 1.00 0.41 H new ATOM 0 HA GLN A 42 7.590 0.262 -4.227 1.00 0.42 H new ATOM 0 HB2 GLN A 42 7.481 -1.869 -5.111 1.00 0.50 H new ATOM 0 HB3 GLN A 42 9.192 -1.497 -5.053 1.00 0.50 H new ATOM 0 HG2 GLN A 42 8.425 -2.922 -2.637 1.00 0.58 H new ATOM 0 HG3 GLN A 42 7.852 -3.798 -4.043 1.00 0.58 H new ATOM 0 HE21 GLN A 42 10.504 -2.479 -5.432 1.00 1.14 H new ATOM 0 HE22 GLN A 42 11.728 -3.645 -4.918 1.00 1.14 H new ATOM 625 N ALA A 43 5.719 -0.850 -2.911 1.00 0.44 N ATOM 626 CA ALA A 43 4.693 -1.709 -2.325 1.00 0.44 C ATOM 627 C ALA A 43 4.170 -2.679 -3.395 1.00 0.51 C ATOM 628 O ALA A 43 3.935 -2.272 -4.536 1.00 0.79 O ATOM 629 CB ALA A 43 3.574 -0.829 -1.753 1.00 0.49 C ATOM 0 H ALA A 43 5.374 -0.266 -3.673 1.00 0.44 H new ATOM 0 HA ALA A 43 5.106 -2.304 -1.511 1.00 0.44 H new ATOM 0 HB1 ALA A 43 2.803 -1.461 -1.313 1.00 0.49 H new ATOM 0 HB2 ALA A 43 3.984 -0.171 -0.987 1.00 0.49 H new ATOM 0 HB3 ALA A 43 3.139 -0.229 -2.552 1.00 0.49 H new ATOM 635 N VAL A 44 3.953 -3.942 -3.026 1.00 0.38 N ATOM 636 CA VAL A 44 3.206 -4.908 -3.846 1.00 0.38 C ATOM 637 C VAL A 44 2.063 -5.486 -3.025 1.00 0.40 C ATOM 638 O VAL A 44 2.283 -6.046 -1.948 1.00 0.46 O ATOM 639 CB VAL A 44 4.085 -6.003 -4.492 1.00 0.42 C ATOM 640 CG1 VAL A 44 4.937 -6.815 -3.505 1.00 0.46 C ATOM 641 CG2 VAL A 44 3.247 -6.962 -5.352 1.00 0.48 C ATOM 0 H VAL A 44 4.291 -4.330 -2.145 1.00 0.38 H new ATOM 0 HA VAL A 44 2.798 -4.366 -4.699 1.00 0.38 H new ATOM 0 HB VAL A 44 4.784 -5.448 -5.118 1.00 0.42 H new ATOM 0 HG11 VAL A 44 5.518 -7.558 -4.052 1.00 0.46 H new ATOM 0 HG12 VAL A 44 5.612 -6.146 -2.972 1.00 0.46 H new ATOM 0 HG13 VAL A 44 4.286 -7.318 -2.790 1.00 0.46 H new ATOM 0 HG21 VAL A 44 3.897 -7.719 -5.791 1.00 0.48 H new ATOM 0 HG22 VAL A 44 2.495 -7.446 -4.729 1.00 0.48 H new ATOM 0 HG23 VAL A 44 2.754 -6.402 -6.147 1.00 0.48 H new ATOM 651 N VAL A 45 0.843 -5.297 -3.528 1.00 0.49 N ATOM 652 CA VAL A 45 -0.389 -5.729 -2.856 1.00 0.49 C ATOM 653 C VAL A 45 -1.505 -5.937 -3.881 1.00 0.59 C ATOM 654 O VAL A 45 -1.838 -5.030 -4.645 1.00 0.80 O ATOM 655 CB VAL A 45 -0.916 -4.732 -1.792 1.00 0.54 C ATOM 656 CG1 VAL A 45 -1.880 -5.476 -0.854 1.00 0.82 C ATOM 657 CG2 VAL A 45 0.134 -3.976 -0.953 1.00 0.93 C ATOM 0 H VAL A 45 0.677 -4.835 -4.422 1.00 0.49 H new ATOM 0 HA VAL A 45 -0.123 -6.655 -2.346 1.00 0.49 H new ATOM 0 HB VAL A 45 -1.402 -3.946 -2.370 1.00 0.54 H new ATOM 0 HG11 VAL A 45 -2.259 -4.786 -0.100 1.00 0.82 H new ATOM 0 HG12 VAL A 45 -2.714 -5.876 -1.431 1.00 0.82 H new ATOM 0 HG13 VAL A 45 -1.352 -6.295 -0.365 1.00 0.82 H new ATOM 0 HG21 VAL A 45 -0.371 -3.314 -0.250 1.00 0.93 H new ATOM 0 HG22 VAL A 45 0.745 -4.692 -0.403 1.00 0.93 H new ATOM 0 HG23 VAL A 45 0.771 -3.387 -1.613 1.00 0.93 H new ATOM 667 N SER A 46 -2.153 -7.099 -3.838 1.00 0.65 N ATOM 668 CA SER A 46 -3.528 -7.237 -4.331 1.00 0.89 C ATOM 669 C SER A 46 -4.467 -7.155 -3.134 1.00 0.86 C ATOM 670 O SER A 46 -4.441 -8.031 -2.269 1.00 0.73 O ATOM 671 CB SER A 46 -3.741 -8.547 -5.103 1.00 1.26 C ATOM 672 OG SER A 46 -5.110 -8.938 -5.130 1.00 2.00 O ATOM 0 H SER A 46 -1.751 -7.960 -3.468 1.00 0.65 H new ATOM 0 HA SER A 46 -3.736 -6.433 -5.037 1.00 0.89 H new ATOM 0 HB2 SER A 46 -3.378 -8.428 -6.124 1.00 1.26 H new ATOM 0 HB3 SER A 46 -3.148 -9.338 -4.644 1.00 1.26 H new ATOM 0 HG SER A 46 -5.201 -9.775 -5.632 1.00 2.00 H new ATOM 678 N TYR A 47 -5.299 -6.116 -3.131 1.00 1.16 N ATOM 679 CA TYR A 47 -6.314 -5.805 -2.112 1.00 1.15 C ATOM 680 C TYR A 47 -7.745 -5.734 -2.702 1.00 1.19 C ATOM 681 O TYR A 47 -8.640 -5.082 -2.169 1.00 1.64 O ATOM 682 CB TYR A 47 -5.887 -4.539 -1.335 1.00 1.29 C ATOM 683 CG TYR A 47 -5.122 -3.451 -2.087 1.00 1.15 C ATOM 684 CD1 TYR A 47 -5.543 -2.967 -3.336 1.00 1.88 C ATOM 685 CD2 TYR A 47 -3.956 -2.912 -1.519 1.00 1.91 C ATOM 686 CE1 TYR A 47 -4.759 -2.014 -4.023 1.00 1.90 C ATOM 687 CE2 TYR A 47 -3.197 -1.924 -2.167 1.00 1.96 C ATOM 688 CZ TYR A 47 -3.587 -1.485 -3.443 1.00 1.30 C ATOM 689 OH TYR A 47 -2.853 -0.542 -4.095 1.00 1.56 O ATOM 0 H TYR A 47 -5.287 -5.425 -3.881 1.00 1.16 H new ATOM 0 HA TYR A 47 -6.367 -6.625 -1.396 1.00 1.15 H new ATOM 0 HB2 TYR A 47 -6.786 -4.086 -0.918 1.00 1.29 H new ATOM 0 HB3 TYR A 47 -5.271 -4.857 -0.494 1.00 1.29 H new ATOM 0 HD1 TYR A 47 -6.465 -3.323 -3.771 1.00 1.88 H new ATOM 0 HD2 TYR A 47 -3.633 -3.269 -0.552 1.00 1.91 H new ATOM 0 HE1 TYR A 47 -5.061 -1.686 -5.006 1.00 1.90 H new ATOM 0 HE2 TYR A 47 -2.323 -1.506 -1.689 1.00 1.96 H new ATOM 0 HH TYR A 47 -2.080 -0.292 -3.546 1.00 1.56 H new ATOM 699 N HIS A 48 -7.961 -6.426 -3.821 1.00 1.00 N ATOM 700 CA HIS A 48 -9.181 -6.395 -4.634 1.00 1.02 C ATOM 701 C HIS A 48 -9.824 -7.784 -4.788 1.00 1.13 C ATOM 702 O HIS A 48 -9.182 -8.809 -4.548 1.00 1.80 O ATOM 703 CB HIS A 48 -8.821 -5.898 -6.041 1.00 1.13 C ATOM 704 CG HIS A 48 -7.892 -4.729 -6.114 1.00 1.20 C ATOM 705 ND1 HIS A 48 -8.255 -3.389 -6.047 1.00 1.15 N ATOM 706 CD2 HIS A 48 -6.554 -4.829 -6.329 1.00 1.42 C ATOM 707 CE1 HIS A 48 -7.130 -2.697 -6.267 1.00 1.34 C ATOM 708 NE2 HIS A 48 -6.096 -3.540 -6.467 1.00 1.55 N ATOM 0 H HIS A 48 -7.256 -7.055 -4.206 1.00 1.00 H new ATOM 0 HA HIS A 48 -9.890 -5.739 -4.129 1.00 1.02 H new ATOM 0 HB2 HIS A 48 -8.373 -6.725 -6.592 1.00 1.13 H new ATOM 0 HB3 HIS A 48 -9.744 -5.634 -6.557 1.00 1.13 H new ATOM 0 HD2 HIS A 48 -5.970 -5.736 -6.381 1.00 1.42 H new ATOM 0 HE1 HIS A 48 -7.060 -1.619 -6.282 1.00 1.34 H new ATOM 0 HE2 HIS A 48 -5.137 -3.267 -6.684 1.00 1.55 H new ATOM 716 N GLY A 49 -11.045 -7.825 -5.325 1.00 1.26 N ATOM 717 CA GLY A 49 -11.548 -8.990 -6.065 1.00 1.81 C ATOM 718 C GLY A 49 -11.477 -8.708 -7.565 1.00 2.64 C ATOM 719 O GLY A 49 -10.702 -7.868 -8.019 1.00 3.72 O ATOM 0 H GLY A 49 -11.712 -7.056 -5.261 1.00 1.26 H new ATOM 0 HA2 GLY A 49 -10.956 -9.873 -5.821 1.00 1.81 H new ATOM 0 HA3 GLY A 49 -12.576 -9.204 -5.772 1.00 1.81 H new ATOM 723 N GLU A 50 -12.360 -9.331 -8.331 1.00 3.32 N ATOM 724 CA GLU A 50 -12.728 -8.961 -9.702 1.00 4.31 C ATOM 725 C GLU A 50 -13.586 -7.666 -9.705 1.00 3.64 C ATOM 726 O GLU A 50 -14.664 -7.598 -10.292 1.00 3.88 O ATOM 727 CB GLU A 50 -13.404 -10.174 -10.377 1.00 6.05 C ATOM 728 CG GLU A 50 -12.425 -11.280 -10.829 1.00 7.92 C ATOM 729 CD GLU A 50 -11.575 -11.946 -9.734 1.00 8.70 C ATOM 730 OE1 GLU A 50 -12.006 -12.004 -8.562 1.00 8.11 O ATOM 731 OE2 GLU A 50 -10.461 -12.405 -10.082 1.00 10.20 O ATOM 0 H GLU A 50 -12.869 -10.151 -8.002 1.00 3.32 H new ATOM 0 HA GLU A 50 -11.845 -8.717 -10.293 1.00 4.31 H new ATOM 0 HB2 GLU A 50 -14.125 -10.605 -9.683 1.00 6.05 H new ATOM 0 HB3 GLU A 50 -13.965 -9.826 -11.244 1.00 6.05 H new ATOM 0 HG2 GLU A 50 -13.000 -12.057 -11.332 1.00 7.92 H new ATOM 0 HG3 GLU A 50 -11.750 -10.853 -11.570 1.00 7.92 H new ATOM 738 N THR A 51 -13.091 -6.641 -8.994 1.00 3.49 N ATOM 739 CA THR A 51 -13.669 -5.327 -8.675 1.00 2.98 C ATOM 740 C THR A 51 -12.703 -4.604 -7.738 1.00 2.64 C ATOM 741 O THR A 51 -12.178 -5.206 -6.797 1.00 3.32 O ATOM 742 CB THR A 51 -15.091 -5.407 -8.106 1.00 3.37 C ATOM 743 OG1 THR A 51 -15.480 -4.090 -7.791 1.00 3.21 O ATOM 744 CG2 THR A 51 -15.231 -6.260 -6.841 1.00 4.46 C ATOM 0 H THR A 51 -12.163 -6.725 -8.579 1.00 3.49 H new ATOM 0 HA THR A 51 -13.787 -4.759 -9.598 1.00 2.98 H new ATOM 0 HB THR A 51 -15.714 -5.886 -8.861 1.00 3.37 H new ATOM 0 HG1 THR A 51 -16.389 -4.096 -7.424 1.00 3.21 H new ATOM 0 HG21 THR A 51 -16.271 -6.257 -6.513 1.00 4.46 H new ATOM 0 HG22 THR A 51 -14.921 -7.283 -7.056 1.00 4.46 H new ATOM 0 HG23 THR A 51 -14.601 -5.848 -6.053 1.00 4.46 H new ATOM 752 N THR A 52 -12.427 -3.328 -8.028 1.00 2.46 N ATOM 753 CA THR A 52 -11.313 -2.556 -7.457 1.00 2.48 C ATOM 754 C THR A 52 -11.811 -1.561 -6.398 1.00 1.30 C ATOM 755 O THR A 52 -12.251 -0.468 -6.769 1.00 1.77 O ATOM 756 CB THR A 52 -10.486 -1.894 -8.577 1.00 3.82 C ATOM 757 OG1 THR A 52 -9.654 -0.911 -8.019 1.00 4.71 O ATOM 758 CG2 THR A 52 -11.283 -1.225 -9.701 1.00 4.89 C ATOM 0 H THR A 52 -12.988 -2.786 -8.686 1.00 2.46 H new ATOM 0 HA THR A 52 -10.641 -3.236 -6.933 1.00 2.48 H new ATOM 0 HB THR A 52 -9.943 -2.722 -9.033 1.00 3.82 H new ATOM 0 HG1 THR A 52 -9.125 -0.489 -8.728 1.00 4.71 H new ATOM 0 HG21 THR A 52 -10.595 -0.795 -10.429 1.00 4.89 H new ATOM 0 HG22 THR A 52 -11.913 -1.967 -10.191 1.00 4.89 H new ATOM 0 HG23 THR A 52 -11.909 -0.436 -9.284 1.00 4.89 H new ATOM 766 N PRO A 53 -11.730 -1.868 -5.086 1.00 1.79 N ATOM 767 CA PRO A 53 -12.017 -0.889 -4.044 1.00 2.52 C ATOM 768 C PRO A 53 -10.963 0.222 -4.080 1.00 1.99 C ATOM 769 O PRO A 53 -9.795 0.002 -3.774 1.00 1.89 O ATOM 770 CB PRO A 53 -12.015 -1.668 -2.722 1.00 4.09 C ATOM 771 CG PRO A 53 -11.102 -2.860 -3.008 1.00 4.31 C ATOM 772 CD PRO A 53 -11.384 -3.149 -4.481 1.00 3.11 C ATOM 0 HA PRO A 53 -12.980 -0.396 -4.178 1.00 2.52 H new ATOM 0 HB2 PRO A 53 -11.636 -1.061 -1.900 1.00 4.09 H new ATOM 0 HB3 PRO A 53 -13.019 -1.989 -2.445 1.00 4.09 H new ATOM 0 HG2 PRO A 53 -10.053 -2.618 -2.836 1.00 4.31 H new ATOM 0 HG3 PRO A 53 -11.340 -3.714 -2.374 1.00 4.31 H new ATOM 0 HD2 PRO A 53 -10.511 -3.586 -4.966 1.00 3.11 H new ATOM 0 HD3 PRO A 53 -12.200 -3.864 -4.589 1.00 3.11 H new ATOM 780 N GLN A 54 -11.379 1.443 -4.425 1.00 1.80 N ATOM 781 CA GLN A 54 -10.490 2.612 -4.511 1.00 1.47 C ATOM 782 C GLN A 54 -9.917 3.077 -3.156 1.00 1.18 C ATOM 783 O GLN A 54 -9.059 3.953 -3.122 1.00 1.20 O ATOM 784 CB GLN A 54 -11.155 3.726 -5.331 1.00 1.72 C ATOM 785 CG GLN A 54 -12.485 4.245 -4.765 1.00 3.39 C ATOM 786 CD GLN A 54 -13.154 5.200 -5.750 1.00 3.75 C ATOM 787 OE1 GLN A 54 -13.200 6.396 -5.552 1.00 3.29 O ATOM 788 NE2 GLN A 54 -13.667 4.715 -6.863 1.00 5.24 N ATOM 0 H GLN A 54 -12.350 1.653 -4.655 1.00 1.80 H new ATOM 0 HA GLN A 54 -9.596 2.300 -5.051 1.00 1.47 H new ATOM 0 HB2 GLN A 54 -10.460 4.562 -5.410 1.00 1.72 H new ATOM 0 HB3 GLN A 54 -11.327 3.358 -6.343 1.00 1.72 H new ATOM 0 HG2 GLN A 54 -13.149 3.406 -4.556 1.00 3.39 H new ATOM 0 HG3 GLN A 54 -12.309 4.756 -3.818 1.00 3.39 H new ATOM 0 HE21 GLN A 54 -13.636 3.712 -7.044 1.00 5.24 H new ATOM 0 HE22 GLN A 54 -14.095 5.343 -7.543 1.00 5.24 H new ATOM 797 N ILE A 55 -10.294 2.402 -2.064 1.00 1.20 N ATOM 798 CA ILE A 55 -9.575 2.340 -0.771 1.00 1.14 C ATOM 799 C ILE A 55 -8.079 1.990 -0.940 1.00 1.06 C ATOM 800 O ILE A 55 -7.280 2.298 -0.063 1.00 1.11 O ATOM 801 CB ILE A 55 -10.314 1.356 0.180 1.00 1.38 C ATOM 802 CG1 ILE A 55 -11.758 1.855 0.452 1.00 1.59 C ATOM 803 CG2 ILE A 55 -9.571 1.147 1.517 1.00 1.49 C ATOM 804 CD1 ILE A 55 -12.653 0.852 1.197 1.00 2.62 C ATOM 0 H ILE A 55 -11.153 1.853 -2.050 1.00 1.20 H new ATOM 0 HA ILE A 55 -9.584 3.332 -0.320 1.00 1.14 H new ATOM 0 HB ILE A 55 -10.345 0.391 -0.326 1.00 1.38 H new ATOM 0 HG12 ILE A 55 -11.706 2.776 1.032 1.00 1.59 H new ATOM 0 HG13 ILE A 55 -12.228 2.103 -0.500 1.00 1.59 H new ATOM 0 HG21 ILE A 55 -10.133 0.451 2.140 1.00 1.49 H new ATOM 0 HG22 ILE A 55 -8.579 0.740 1.322 1.00 1.49 H new ATOM 0 HG23 ILE A 55 -9.476 2.102 2.034 1.00 1.49 H new ATOM 0 HD11 ILE A 55 -13.642 1.286 1.343 1.00 2.62 H new ATOM 0 HD12 ILE A 55 -12.741 -0.063 0.611 1.00 2.62 H new ATOM 0 HD13 ILE A 55 -12.212 0.621 2.166 1.00 2.62 H new ATOM 816 N LEU A 56 -7.678 1.420 -2.089 1.00 1.07 N ATOM 817 CA LEU A 56 -6.277 1.337 -2.533 1.00 1.13 C ATOM 818 C LEU A 56 -5.503 2.653 -2.336 1.00 1.21 C ATOM 819 O LEU A 56 -4.370 2.633 -1.860 1.00 1.44 O ATOM 820 CB LEU A 56 -6.244 0.848 -4.000 1.00 1.35 C ATOM 821 CG LEU A 56 -6.671 1.833 -5.119 1.00 1.53 C ATOM 822 CD1 LEU A 56 -5.461 2.572 -5.723 1.00 1.80 C ATOM 823 CD2 LEU A 56 -7.366 1.096 -6.272 1.00 1.77 C ATOM 0 H LEU A 56 -8.332 0.996 -2.747 1.00 1.07 H new ATOM 0 HA LEU A 56 -5.758 0.615 -1.903 1.00 1.13 H new ATOM 0 HB2 LEU A 56 -5.227 0.520 -4.217 1.00 1.35 H new ATOM 0 HB3 LEU A 56 -6.884 -0.031 -4.071 1.00 1.35 H new ATOM 0 HG LEU A 56 -7.350 2.544 -4.648 1.00 1.53 H new ATOM 0 HD11 LEU A 56 -5.803 3.252 -6.503 1.00 1.80 H new ATOM 0 HD12 LEU A 56 -4.955 3.140 -4.942 1.00 1.80 H new ATOM 0 HD13 LEU A 56 -4.769 1.847 -6.151 1.00 1.80 H new ATOM 0 HD21 LEU A 56 -7.654 1.813 -7.041 1.00 1.77 H new ATOM 0 HD22 LEU A 56 -6.683 0.361 -6.698 1.00 1.77 H new ATOM 0 HD23 LEU A 56 -8.255 0.590 -5.897 1.00 1.77 H new ATOM 835 N THR A 57 -6.126 3.776 -2.706 1.00 1.14 N ATOM 836 CA THR A 57 -5.596 5.140 -2.559 1.00 1.34 C ATOM 837 C THR A 57 -5.634 5.556 -1.095 1.00 1.10 C ATOM 838 O THR A 57 -4.598 5.832 -0.487 1.00 1.01 O ATOM 839 CB THR A 57 -6.409 6.110 -3.429 1.00 1.83 C ATOM 840 OG1 THR A 57 -6.458 5.630 -4.755 1.00 2.07 O ATOM 841 CG2 THR A 57 -5.790 7.506 -3.466 1.00 2.31 C ATOM 0 H THR A 57 -7.052 3.762 -3.134 1.00 1.14 H new ATOM 0 HA THR A 57 -4.559 5.166 -2.894 1.00 1.34 H new ATOM 0 HB THR A 57 -7.404 6.174 -2.989 1.00 1.83 H new ATOM 0 HG1 THR A 57 -6.979 6.249 -5.308 1.00 2.07 H new ATOM 0 HG21 THR A 57 -6.399 8.157 -4.093 1.00 2.31 H new ATOM 0 HG22 THR A 57 -5.747 7.912 -2.455 1.00 2.31 H new ATOM 0 HG23 THR A 57 -4.782 7.446 -3.876 1.00 2.31 H new ATOM 849 N ASP A 58 -6.838 5.551 -0.528 1.00 1.08 N ATOM 850 CA ASP A 58 -7.137 5.964 0.850 1.00 1.03 C ATOM 851 C ASP A 58 -6.135 5.365 1.851 1.00 0.83 C ATOM 852 O ASP A 58 -5.529 6.071 2.655 1.00 0.75 O ATOM 853 CB ASP A 58 -8.574 5.513 1.155 1.00 1.10 C ATOM 854 CG ASP A 58 -9.128 6.089 2.457 1.00 1.59 C ATOM 855 OD1 ASP A 58 -9.705 7.196 2.386 1.00 2.47 O ATOM 856 OD2 ASP A 58 -9.028 5.382 3.485 1.00 2.23 O ATOM 0 H ASP A 58 -7.670 5.247 -1.034 1.00 1.08 H new ATOM 0 HA ASP A 58 -7.047 7.046 0.949 1.00 1.03 H new ATOM 0 HB2 ASP A 58 -9.222 5.809 0.331 1.00 1.10 H new ATOM 0 HB3 ASP A 58 -8.602 4.425 1.207 1.00 1.10 H new ATOM 861 N ALA A 59 -5.867 4.062 1.723 1.00 0.79 N ATOM 862 CA ALA A 59 -5.037 3.311 2.646 1.00 0.76 C ATOM 863 C ALA A 59 -3.519 3.421 2.432 1.00 0.73 C ATOM 864 O ALA A 59 -2.785 2.918 3.281 1.00 0.91 O ATOM 865 CB ALA A 59 -5.549 1.869 2.668 1.00 1.07 C ATOM 0 H ALA A 59 -6.232 3.496 0.957 1.00 0.79 H new ATOM 0 HA ALA A 59 -5.142 3.768 3.630 1.00 0.76 H new ATOM 0 HB1 ALA A 59 -4.943 1.278 3.355 1.00 1.07 H new ATOM 0 HB2 ALA A 59 -6.588 1.857 2.998 1.00 1.07 H new ATOM 0 HB3 ALA A 59 -5.481 1.444 1.667 1.00 1.07 H new ATOM 871 N VAL A 60 -3.040 4.106 1.387 1.00 0.68 N ATOM 872 CA VAL A 60 -1.666 4.668 1.380 1.00 0.68 C ATOM 873 C VAL A 60 -1.635 6.068 1.983 1.00 0.62 C ATOM 874 O VAL A 60 -0.781 6.359 2.821 1.00 0.78 O ATOM 875 CB VAL A 60 -0.963 4.630 0.003 1.00 0.74 C ATOM 876 CG1 VAL A 60 -0.747 3.169 -0.435 1.00 2.15 C ATOM 877 CG2 VAL A 60 -1.632 5.381 -1.160 1.00 1.81 C ATOM 0 H VAL A 60 -3.572 4.289 0.536 1.00 0.68 H new ATOM 0 HA VAL A 60 -1.082 4.001 2.015 1.00 0.68 H new ATOM 0 HB VAL A 60 -0.034 5.170 0.189 1.00 0.74 H new ATOM 0 HG11 VAL A 60 -0.251 3.150 -1.406 1.00 2.15 H new ATOM 0 HG12 VAL A 60 -0.126 2.657 0.300 1.00 2.15 H new ATOM 0 HG13 VAL A 60 -1.711 2.665 -0.510 1.00 2.15 H new ATOM 0 HG21 VAL A 60 -1.029 5.268 -2.061 1.00 1.81 H new ATOM 0 HG22 VAL A 60 -2.626 4.970 -1.335 1.00 1.81 H new ATOM 0 HG23 VAL A 60 -1.715 6.439 -0.910 1.00 1.81 H new ATOM 887 N GLU A 61 -2.622 6.900 1.656 1.00 0.52 N ATOM 888 CA GLU A 61 -2.720 8.274 2.149 1.00 0.62 C ATOM 889 C GLU A 61 -2.900 8.321 3.678 1.00 0.62 C ATOM 890 O GLU A 61 -2.388 9.225 4.332 1.00 0.74 O ATOM 891 CB GLU A 61 -3.867 8.972 1.409 1.00 0.70 C ATOM 892 CG GLU A 61 -3.873 10.490 1.606 1.00 2.29 C ATOM 893 CD GLU A 61 -2.724 11.196 0.895 1.00 2.28 C ATOM 894 OE1 GLU A 61 -2.728 11.213 -0.358 1.00 1.99 O ATOM 895 OE2 GLU A 61 -1.848 11.760 1.592 1.00 3.47 O ATOM 0 H GLU A 61 -3.386 6.636 1.034 1.00 0.52 H new ATOM 0 HA GLU A 61 -1.789 8.803 1.947 1.00 0.62 H new ATOM 0 HB2 GLU A 61 -3.793 8.750 0.344 1.00 0.70 H new ATOM 0 HB3 GLU A 61 -4.816 8.563 1.754 1.00 0.70 H new ATOM 0 HG2 GLU A 61 -4.818 10.893 1.242 1.00 2.29 H new ATOM 0 HG3 GLU A 61 -3.822 10.711 2.672 1.00 2.29 H new ATOM 902 N ARG A 62 -3.488 7.278 4.281 1.00 0.58 N ATOM 903 CA ARG A 62 -3.561 7.068 5.735 1.00 0.61 C ATOM 904 C ARG A 62 -2.207 7.146 6.450 1.00 0.62 C ATOM 905 O ARG A 62 -2.177 7.252 7.680 1.00 0.73 O ATOM 906 CB ARG A 62 -4.221 5.707 6.021 1.00 0.69 C ATOM 907 CG ARG A 62 -3.280 4.494 5.836 1.00 1.26 C ATOM 908 CD ARG A 62 -2.414 4.069 7.040 1.00 0.92 C ATOM 909 NE ARG A 62 -3.253 3.541 8.130 1.00 1.32 N ATOM 910 CZ ARG A 62 -3.695 4.188 9.205 1.00 1.30 C ATOM 911 NH1 ARG A 62 -3.304 5.407 9.516 1.00 1.85 N ATOM 912 NH2 ARG A 62 -4.575 3.610 9.993 1.00 2.17 N ATOM 0 H ARG A 62 -3.941 6.532 3.753 1.00 0.58 H new ATOM 0 HA ARG A 62 -4.159 7.887 6.134 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -4.599 5.707 7.044 1.00 0.69 H new ATOM 0 HB3 ARG A 62 -5.082 5.588 5.363 1.00 0.69 H new ATOM 0 HG2 ARG A 62 -3.889 3.639 5.542 1.00 1.26 H new ATOM 0 HG3 ARG A 62 -2.612 4.711 5.002 1.00 1.26 H new ATOM 0 HD2 ARG A 62 -1.697 3.310 6.727 1.00 0.92 H new ATOM 0 HD3 ARG A 62 -1.839 4.923 7.399 1.00 0.92 H new ATOM 0 HE ARG A 62 -3.528 2.562 8.051 1.00 1.32 H new ATOM 0 HH11 ARG A 62 -2.634 5.895 8.921 1.00 1.85 H new ATOM 0 HH12 ARG A 62 -3.671 5.863 10.351 1.00 1.85 H new ATOM 0 HH21 ARG A 62 -4.914 2.672 9.778 1.00 2.17 H new ATOM 0 HH22 ARG A 62 -4.919 4.099 10.819 1.00 2.17 H new ATOM 926 N ALA A 63 -1.097 6.945 5.737 1.00 0.61 N ATOM 927 CA ALA A 63 0.261 7.024 6.266 1.00 0.73 C ATOM 928 C ALA A 63 0.859 8.436 6.153 1.00 0.80 C ATOM 929 O ALA A 63 1.926 8.679 6.712 1.00 0.94 O ATOM 930 CB ALA A 63 1.103 5.999 5.492 1.00 0.73 C ATOM 0 H ALA A 63 -1.122 6.715 4.743 1.00 0.61 H new ATOM 0 HA ALA A 63 0.253 6.801 7.333 1.00 0.73 H new ATOM 0 HB1 ALA A 63 2.130 6.023 5.856 1.00 0.73 H new ATOM 0 HB2 ALA A 63 0.689 5.002 5.640 1.00 0.73 H new ATOM 0 HB3 ALA A 63 1.088 6.244 4.430 1.00 0.73 H new ATOM 936 N GLY A 64 0.205 9.330 5.404 1.00 0.78 N ATOM 937 CA GLY A 64 0.792 10.532 4.825 1.00 0.89 C ATOM 938 C GLY A 64 1.473 10.231 3.490 1.00 0.90 C ATOM 939 O GLY A 64 2.113 11.124 2.939 1.00 0.99 O ATOM 0 H GLY A 64 -0.785 9.228 5.179 1.00 0.78 H new ATOM 0 HA2 GLY A 64 0.016 11.284 4.678 1.00 0.89 H new ATOM 0 HA3 GLY A 64 1.518 10.955 5.519 1.00 0.89 H new ATOM 943 N TYR A 65 1.407 8.984 2.987 1.00 0.86 N ATOM 944 CA TYR A 65 2.251 8.543 1.877 1.00 0.88 C ATOM 945 C TYR A 65 1.465 8.348 0.570 1.00 0.89 C ATOM 946 O TYR A 65 0.405 7.731 0.503 1.00 1.48 O ATOM 947 CB TYR A 65 3.053 7.291 2.249 1.00 0.91 C ATOM 948 CG TYR A 65 3.978 7.356 3.466 1.00 1.02 C ATOM 949 CD1 TYR A 65 4.365 8.578 4.063 1.00 1.58 C ATOM 950 CD2 TYR A 65 4.516 6.158 3.979 1.00 2.28 C ATOM 951 CE1 TYR A 65 5.209 8.596 5.191 1.00 1.72 C ATOM 952 CE2 TYR A 65 5.416 6.176 5.062 1.00 2.41 C ATOM 953 CZ TYR A 65 5.747 7.393 5.692 1.00 1.43 C ATOM 954 OH TYR A 65 6.602 7.427 6.752 1.00 1.68 O ATOM 0 H TYR A 65 0.773 8.267 3.338 1.00 0.86 H new ATOM 0 HA TYR A 65 2.960 9.349 1.687 1.00 0.88 H new ATOM 0 HB2 TYR A 65 2.344 6.479 2.413 1.00 0.91 H new ATOM 0 HB3 TYR A 65 3.659 7.016 1.386 1.00 0.91 H new ATOM 0 HD1 TYR A 65 4.009 9.510 3.649 1.00 1.58 H new ATOM 0 HD2 TYR A 65 4.234 5.214 3.536 1.00 2.28 H new ATOM 0 HE1 TYR A 65 5.444 9.533 5.673 1.00 1.72 H new ATOM 0 HE2 TYR A 65 5.855 5.253 5.412 1.00 2.41 H new ATOM 0 HH TYR A 65 7.237 6.683 6.684 1.00 1.68 H new ATOM 964 N HIS A 66 2.043 8.913 -0.481 1.00 0.66 N ATOM 965 CA HIS A 66 1.472 9.098 -1.816 1.00 0.71 C ATOM 966 C HIS A 66 1.973 7.998 -2.761 1.00 0.71 C ATOM 967 O HIS A 66 2.962 7.329 -2.474 1.00 0.74 O ATOM 968 CB HIS A 66 1.835 10.524 -2.303 1.00 0.95 C ATOM 969 CG HIS A 66 1.040 11.601 -1.605 1.00 1.27 C ATOM 970 ND1 HIS A 66 -0.070 12.248 -2.117 1.00 1.69 N ATOM 971 CD2 HIS A 66 1.145 11.948 -0.286 1.00 2.60 C ATOM 972 CE1 HIS A 66 -0.639 12.946 -1.121 1.00 1.90 C ATOM 973 NE2 HIS A 66 0.064 12.755 0.010 1.00 2.46 N ATOM 0 H HIS A 66 2.992 9.282 -0.423 1.00 0.66 H new ATOM 0 HA HIS A 66 0.386 9.010 -1.795 1.00 0.71 H new ATOM 0 HB2 HIS A 66 2.898 10.699 -2.139 1.00 0.95 H new ATOM 0 HB3 HIS A 66 1.663 10.591 -3.377 1.00 0.95 H new ATOM 0 HD2 HIS A 66 1.927 11.647 0.396 1.00 2.60 H new ATOM 0 HE1 HIS A 66 -1.521 13.563 -1.213 1.00 1.90 H new ATOM 0 HE2 HIS A 66 -0.162 13.140 0.927 1.00 2.46 H new ATOM 982 N ALA A 67 1.327 7.814 -3.913 1.00 0.85 N ATOM 983 CA ALA A 67 1.674 6.768 -4.882 1.00 0.90 C ATOM 984 C ALA A 67 2.544 7.297 -6.040 1.00 0.95 C ATOM 985 O ALA A 67 2.322 8.403 -6.533 1.00 1.36 O ATOM 986 CB ALA A 67 0.360 6.175 -5.405 1.00 1.03 C ATOM 0 H ALA A 67 0.539 8.392 -4.205 1.00 0.85 H new ATOM 0 HA ALA A 67 2.277 6.005 -4.390 1.00 0.90 H new ATOM 0 HB1 ALA A 67 0.578 5.391 -6.130 1.00 1.03 H new ATOM 0 HB2 ALA A 67 -0.205 5.753 -4.574 1.00 1.03 H new ATOM 0 HB3 ALA A 67 -0.228 6.959 -5.883 1.00 1.03 H new ATOM 992 N ARG A 68 3.496 6.487 -6.518 1.00 0.71 N ATOM 993 CA ARG A 68 4.285 6.742 -7.736 1.00 0.77 C ATOM 994 C ARG A 68 4.487 5.440 -8.522 1.00 0.60 C ATOM 995 O ARG A 68 4.617 4.364 -7.947 1.00 0.59 O ATOM 996 CB ARG A 68 5.634 7.428 -7.408 1.00 1.06 C ATOM 997 CG ARG A 68 6.416 6.751 -6.270 1.00 1.21 C ATOM 998 CD ARG A 68 7.883 7.169 -6.076 1.00 2.18 C ATOM 999 NE ARG A 68 8.078 8.618 -5.870 1.00 2.54 N ATOM 1000 CZ ARG A 68 9.216 9.182 -5.461 1.00 3.07 C ATOM 1001 NH1 ARG A 68 10.259 8.466 -5.123 1.00 3.56 N ATOM 1002 NH2 ARG A 68 9.332 10.491 -5.369 1.00 4.09 N ATOM 0 H ARG A 68 3.748 5.612 -6.058 1.00 0.71 H new ATOM 0 HA ARG A 68 3.726 7.434 -8.365 1.00 0.77 H new ATOM 0 HB2 ARG A 68 6.253 7.438 -8.305 1.00 1.06 H new ATOM 0 HB3 ARG A 68 5.446 8.467 -7.139 1.00 1.06 H new ATOM 0 HG2 ARG A 68 5.885 6.940 -5.337 1.00 1.21 H new ATOM 0 HG3 ARG A 68 6.391 5.674 -6.438 1.00 1.21 H new ATOM 0 HD2 ARG A 68 8.291 6.634 -5.219 1.00 2.18 H new ATOM 0 HD3 ARG A 68 8.456 6.857 -6.949 1.00 2.18 H new ATOM 0 HE ARG A 68 7.285 9.233 -6.054 1.00 2.54 H new ATOM 0 HH11 ARG A 68 10.215 7.448 -5.169 1.00 3.56 H new ATOM 0 HH12 ARG A 68 11.115 8.926 -4.814 1.00 3.56 H new ATOM 0 HH21 ARG A 68 8.544 11.091 -5.612 1.00 4.09 H new ATOM 0 HH22 ARG A 68 10.210 10.904 -5.054 1.00 4.09 H new ATOM 1016 N VAL A 69 4.520 5.513 -9.849 1.00 0.90 N ATOM 1017 CA VAL A 69 4.796 4.372 -10.713 1.00 1.05 C ATOM 1018 C VAL A 69 6.253 3.927 -10.605 1.00 1.35 C ATOM 1019 O VAL A 69 7.133 4.736 -10.307 1.00 1.94 O ATOM 1020 CB VAL A 69 4.424 4.704 -12.172 1.00 1.69 C ATOM 1021 CG1 VAL A 69 2.901 4.845 -12.319 1.00 1.52 C ATOM 1022 CG2 VAL A 69 5.121 5.964 -12.720 1.00 3.14 C ATOM 0 H VAL A 69 4.353 6.379 -10.361 1.00 0.90 H new ATOM 0 HA VAL A 69 4.178 3.538 -10.379 1.00 1.05 H new ATOM 0 HB VAL A 69 4.783 3.866 -12.769 1.00 1.69 H new ATOM 0 HG11 VAL A 69 2.656 5.079 -13.355 1.00 1.52 H new ATOM 0 HG12 VAL A 69 2.420 3.909 -12.035 1.00 1.52 H new ATOM 0 HG13 VAL A 69 2.546 5.647 -11.672 1.00 1.52 H new ATOM 0 HG21 VAL A 69 4.810 6.133 -13.751 1.00 3.14 H new ATOM 0 HG22 VAL A 69 4.845 6.826 -12.112 1.00 3.14 H new ATOM 0 HG23 VAL A 69 6.202 5.826 -12.685 1.00 3.14 H new ATOM 1032 N LEU A 70 6.478 2.631 -10.841 1.00 1.21 N ATOM 1033 CA LEU A 70 7.806 2.045 -10.958 1.00 1.59 C ATOM 1034 C LEU A 70 8.063 1.785 -12.446 1.00 1.61 C ATOM 1035 O LEU A 70 7.296 1.086 -13.108 1.00 1.73 O ATOM 1036 CB LEU A 70 7.929 0.838 -9.999 1.00 1.73 C ATOM 1037 CG LEU A 70 7.480 -0.565 -10.464 1.00 1.57 C ATOM 1038 CD1 LEU A 70 8.559 -1.292 -11.292 1.00 1.71 C ATOM 1039 CD2 LEU A 70 7.201 -1.446 -9.235 1.00 2.02 C ATOM 0 H LEU A 70 5.726 1.952 -10.957 1.00 1.21 H new ATOM 0 HA LEU A 70 8.608 2.706 -10.631 1.00 1.59 H new ATOM 0 HB2 LEU A 70 8.976 0.763 -9.705 1.00 1.73 H new ATOM 0 HB3 LEU A 70 7.362 1.079 -9.100 1.00 1.73 H new ATOM 0 HG LEU A 70 6.594 -0.416 -11.081 1.00 1.57 H new ATOM 0 HD11 LEU A 70 8.189 -2.272 -11.592 1.00 1.71 H new ATOM 0 HD12 LEU A 70 8.793 -0.705 -12.180 1.00 1.71 H new ATOM 0 HD13 LEU A 70 9.460 -1.413 -10.690 1.00 1.71 H new ATOM 0 HD21 LEU A 70 6.884 -2.436 -9.562 1.00 2.02 H new ATOM 0 HD22 LEU A 70 8.108 -1.534 -8.637 1.00 2.02 H new ATOM 0 HD23 LEU A 70 6.413 -0.993 -8.634 1.00 2.02 H new ATOM 1051 N LYS A 71 9.100 2.420 -13.002 1.00 2.02 N ATOM 1052 CA LYS A 71 9.362 2.465 -14.452 1.00 2.19 C ATOM 1053 C LYS A 71 8.109 2.933 -15.258 1.00 2.39 C ATOM 1054 O LYS A 71 7.350 3.772 -14.787 1.00 3.66 O ATOM 1055 CB LYS A 71 9.927 1.084 -14.871 1.00 3.96 C ATOM 1056 CG LYS A 71 10.815 1.109 -16.127 1.00 4.95 C ATOM 1057 CD LYS A 71 10.892 -0.292 -16.752 1.00 6.41 C ATOM 1058 CE LYS A 71 11.637 -0.290 -18.092 1.00 7.46 C ATOM 1059 NZ LYS A 71 13.090 -0.048 -17.932 1.00 8.65 N ATOM 0 H LYS A 71 9.794 2.926 -12.452 1.00 2.02 H new ATOM 0 HA LYS A 71 10.110 3.221 -14.692 1.00 2.19 H new ATOM 0 HB2 LYS A 71 10.505 0.676 -14.042 1.00 3.96 H new ATOM 0 HB3 LYS A 71 9.094 0.403 -15.045 1.00 3.96 H new ATOM 0 HG2 LYS A 71 10.412 1.817 -16.852 1.00 4.95 H new ATOM 0 HG3 LYS A 71 11.816 1.454 -15.867 1.00 4.95 H new ATOM 0 HD2 LYS A 71 11.394 -0.969 -16.061 1.00 6.41 H new ATOM 0 HD3 LYS A 71 9.883 -0.678 -16.900 1.00 6.41 H new ATOM 0 HE2 LYS A 71 11.484 -1.247 -18.591 1.00 7.46 H new ATOM 0 HE3 LYS A 71 11.213 0.478 -18.739 1.00 7.46 H new ATOM 0 HZ1 LYS A 71 13.548 -0.056 -18.866 1.00 8.65 H new ATOM 0 HZ2 LYS A 71 13.240 0.877 -17.481 1.00 8.65 H new ATOM 0 HZ3 LYS A 71 13.503 -0.795 -17.337 1.00 8.65 H new ATOM 1073 N GLN A 72 7.935 2.395 -16.470 1.00 2.70 N ATOM 1074 CA GLN A 72 6.824 2.463 -17.425 1.00 4.46 C ATOM 1075 C GLN A 72 7.333 1.763 -18.701 1.00 4.00 C ATOM 1076 O GLN A 72 8.542 1.723 -18.942 1.00 3.52 O ATOM 1077 CB GLN A 72 6.341 3.905 -17.717 1.00 6.29 C ATOM 1078 CG GLN A 72 5.111 3.996 -18.648 1.00 8.20 C ATOM 1079 CD GLN A 72 3.896 3.253 -18.089 1.00 9.55 C ATOM 1080 OE1 GLN A 72 3.407 3.561 -17.020 1.00 9.97 O ATOM 1081 NE2 GLN A 72 3.393 2.208 -18.715 1.00 10.63 N ATOM 0 H GLN A 72 8.681 1.818 -16.858 1.00 2.70 H new ATOM 0 HA GLN A 72 5.943 1.974 -17.010 1.00 4.46 H new ATOM 0 HB2 GLN A 72 6.101 4.392 -16.772 1.00 6.29 H new ATOM 0 HB3 GLN A 72 7.162 4.465 -18.165 1.00 6.29 H new ATOM 0 HG2 GLN A 72 4.853 5.044 -18.802 1.00 8.20 H new ATOM 0 HG3 GLN A 72 5.367 3.584 -19.624 1.00 8.20 H new ATOM 0 HE21 GLN A 72 3.777 1.919 -19.615 1.00 10.63 H new ATOM 0 HE22 GLN A 72 2.620 1.688 -18.300 1.00 10.63 H new ATOM 1090 N GLN A 73 6.425 1.225 -19.515 1.00 4.84 N ATOM 1091 CA GLN A 73 6.644 0.676 -20.859 1.00 4.80 C ATOM 1092 C GLN A 73 5.274 0.351 -21.480 1.00 6.13 C ATOM 1093 O GLN A 73 4.290 0.298 -20.748 1.00 7.16 O ATOM 1094 CB GLN A 73 7.622 -0.522 -20.854 1.00 4.58 C ATOM 1095 CG GLN A 73 7.295 -1.642 -19.848 1.00 5.26 C ATOM 1096 CD GLN A 73 8.479 -2.598 -19.677 1.00 5.93 C ATOM 1097 OE1 GLN A 73 9.533 -2.231 -19.178 1.00 6.16 O ATOM 1098 NE2 GLN A 73 8.373 -3.846 -20.081 1.00 7.03 N ATOM 0 H GLN A 73 5.447 1.155 -19.235 1.00 4.84 H new ATOM 0 HA GLN A 73 7.138 1.419 -21.485 1.00 4.80 H new ATOM 0 HB2 GLN A 73 7.646 -0.953 -21.855 1.00 4.58 H new ATOM 0 HB3 GLN A 73 8.624 -0.149 -20.643 1.00 4.58 H new ATOM 0 HG2 GLN A 73 7.036 -1.204 -18.884 1.00 5.26 H new ATOM 0 HG3 GLN A 73 6.422 -2.198 -20.190 1.00 5.26 H new ATOM 0 HE21 GLN A 73 7.503 -4.174 -20.500 1.00 7.03 H new ATOM 0 HE22 GLN A 73 9.161 -4.485 -19.975 1.00 7.03 H new TER 1107 GLN A 73