USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 776 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 11 GLN : amide:sc= 1.11 K(o=1.9,f=1.1) USER MOD Set 1.2: A 109 SER OG : rot -54:sc= 0.739 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.00021) USER MOD Single : A 62 SER OG : rot 31:sc= 1.01 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 179:sc= 1.26 USER MOD Single : A 74 MET CE :methyl 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 1.69 (180deg=1.66) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -120:sc= 0.277 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -75:sc= 1.21 USER MOD Single : A 90 ASN : amide:sc= 0.497 K(o=0.5,f=-4.2!) USER MOD Single : A 91 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.4) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -33:sc= -0.279 USER MOD Single : A 100 THR OG1 : rot -41:sc= 0.00215 USER MOD Single : A 101 HIS : no HE2:sc= 0.453 K(o=0.45,f=-4.7!) USER MOD Single : A 106 THR OG1 : rot -64:sc= 1.27 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0517 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.072 -2.783 10.068 1.00 1.30 N ATOM 28 CA ALA A 3 14.771 -3.022 9.441 1.00 1.25 C ATOM 29 C ALA A 3 13.606 -2.604 10.358 1.00 1.01 C ATOM 30 O ALA A 3 12.634 -2.025 9.881 1.00 1.07 O ATOM 31 CB ALA A 3 14.679 -4.491 9.014 1.00 1.52 C ATOM 0 HA ALA A 3 14.685 -2.397 8.552 1.00 1.25 H new ATOM 0 HB1 ALA A 3 13.712 -4.674 8.546 1.00 1.52 H new ATOM 0 HB2 ALA A 3 15.474 -4.713 8.302 1.00 1.52 H new ATOM 0 HB3 ALA A 3 14.786 -5.132 9.889 1.00 1.52 H new ATOM 37 N LEU A 4 13.749 -2.798 11.676 1.00 0.92 N ATOM 38 CA LEU A 4 12.837 -2.304 12.717 1.00 0.83 C ATOM 39 C LEU A 4 12.522 -0.806 12.538 1.00 0.84 C ATOM 40 O LEU A 4 11.362 -0.407 12.620 1.00 0.98 O ATOM 41 CB LEU A 4 13.486 -2.581 14.091 1.00 0.94 C ATOM 42 CG LEU A 4 12.648 -2.205 15.327 1.00 1.20 C ATOM 43 CD1 LEU A 4 11.533 -3.217 15.552 1.00 1.38 C ATOM 44 CD2 LEU A 4 13.524 -2.206 16.580 1.00 1.64 C ATOM 0 H LEU A 4 14.534 -3.324 12.061 1.00 0.92 H new ATOM 0 HA LEU A 4 11.882 -2.825 12.643 1.00 0.83 H new ATOM 0 HB2 LEU A 4 13.725 -3.643 14.149 1.00 0.94 H new ATOM 0 HB3 LEU A 4 14.430 -2.039 14.139 1.00 0.94 H new ATOM 0 HG LEU A 4 12.229 -1.215 15.148 1.00 1.20 H new ATOM 0 HD11 LEU A 4 10.954 -2.931 16.430 1.00 1.38 H new ATOM 0 HD12 LEU A 4 10.881 -3.240 14.679 1.00 1.38 H new ATOM 0 HD13 LEU A 4 11.965 -4.206 15.708 1.00 1.38 H new ATOM 0 HD21 LEU A 4 12.920 -1.939 17.447 1.00 1.64 H new ATOM 0 HD22 LEU A 4 13.949 -3.199 16.726 1.00 1.64 H new ATOM 0 HD23 LEU A 4 14.329 -1.481 16.462 1.00 1.64 H new ATOM 56 N ALA A 5 13.530 0.021 12.232 1.00 0.89 N ATOM 57 CA ALA A 5 13.319 1.427 11.883 1.00 1.03 C ATOM 58 C ALA A 5 12.750 1.624 10.461 1.00 0.94 C ATOM 59 O ALA A 5 11.920 2.516 10.255 1.00 1.09 O ATOM 60 CB ALA A 5 14.635 2.182 12.090 1.00 1.27 C ATOM 0 H ALA A 5 14.509 -0.266 12.220 1.00 0.89 H new ATOM 0 HA ALA A 5 12.554 1.836 12.542 1.00 1.03 H new ATOM 0 HB1 ALA A 5 14.496 3.232 11.834 1.00 1.27 H new ATOM 0 HB2 ALA A 5 14.941 2.100 13.133 1.00 1.27 H new ATOM 0 HB3 ALA A 5 15.406 1.752 11.450 1.00 1.27 H new ATOM 66 N LYS A 6 13.151 0.798 9.480 1.00 0.82 N ATOM 67 CA LYS A 6 12.651 0.887 8.094 1.00 0.87 C ATOM 68 C LYS A 6 11.151 0.588 7.983 1.00 0.94 C ATOM 69 O LYS A 6 10.486 1.219 7.169 1.00 1.02 O ATOM 70 CB LYS A 6 13.507 0.047 7.121 1.00 0.95 C ATOM 71 CG LYS A 6 13.056 0.277 5.663 1.00 1.29 C ATOM 72 CD LYS A 6 14.055 -0.170 4.584 1.00 1.65 C ATOM 73 CE LYS A 6 13.426 0.152 3.220 1.00 2.47 C ATOM 74 NZ LYS A 6 14.355 -0.023 2.080 1.00 3.07 N ATOM 0 H LYS A 6 13.830 0.050 9.623 1.00 0.82 H new ATOM 0 HA LYS A 6 12.762 1.927 7.786 1.00 0.87 H new ATOM 0 HB2 LYS A 6 14.558 0.315 7.229 1.00 0.95 H new ATOM 0 HB3 LYS A 6 13.420 -1.010 7.372 1.00 0.95 H new ATOM 0 HG2 LYS A 6 12.116 -0.251 5.504 1.00 1.29 H new ATOM 0 HG3 LYS A 6 12.852 1.339 5.527 1.00 1.29 H new ATOM 0 HD2 LYS A 6 15.006 0.350 4.701 1.00 1.65 H new ATOM 0 HD3 LYS A 6 14.262 -1.237 4.670 1.00 1.65 H new ATOM 0 HE2 LYS A 6 12.557 -0.488 3.070 1.00 2.47 H new ATOM 0 HE3 LYS A 6 13.066 1.181 3.229 1.00 2.47 H new ATOM 0 HZ1 LYS A 6 13.865 0.211 1.193 1.00 3.07 H new ATOM 0 HZ2 LYS A 6 15.174 0.607 2.200 1.00 3.07 H new ATOM 0 HZ3 LYS A 6 14.680 -1.010 2.045 1.00 3.07 H new ATOM 88 N LEU A 7 10.577 -0.270 8.831 1.00 1.00 N ATOM 89 CA LEU A 7 9.119 -0.480 8.894 1.00 1.21 C ATOM 90 C LEU A 7 8.347 0.816 9.231 1.00 1.44 C ATOM 91 O LEU A 7 7.237 1.021 8.734 1.00 1.75 O ATOM 92 CB LEU A 7 8.786 -1.600 9.902 1.00 1.15 C ATOM 93 CG LEU A 7 8.716 -3.049 9.373 1.00 1.04 C ATOM 94 CD1 LEU A 7 7.742 -3.201 8.206 1.00 1.22 C ATOM 95 CD2 LEU A 7 10.064 -3.607 8.930 1.00 0.95 C ATOM 0 H LEU A 7 11.104 -0.839 9.493 1.00 1.00 H new ATOM 0 HA LEU A 7 8.791 -0.786 7.901 1.00 1.21 H new ATOM 0 HB2 LEU A 7 9.533 -1.569 10.695 1.00 1.15 H new ATOM 0 HB3 LEU A 7 7.825 -1.364 10.359 1.00 1.15 H new ATOM 0 HG LEU A 7 8.364 -3.620 10.232 1.00 1.04 H new ATOM 0 HD11 LEU A 7 7.732 -4.239 7.873 1.00 1.22 H new ATOM 0 HD12 LEU A 7 6.741 -2.913 8.528 1.00 1.22 H new ATOM 0 HD13 LEU A 7 8.057 -2.559 7.383 1.00 1.22 H new ATOM 0 HD21 LEU A 7 9.935 -4.628 8.571 1.00 0.95 H new ATOM 0 HD22 LEU A 7 10.468 -2.989 8.128 1.00 0.95 H new ATOM 0 HD23 LEU A 7 10.754 -3.603 9.774 1.00 0.95 H new ATOM 107 N ILE A 8 8.929 1.716 10.033 1.00 1.37 N ATOM 108 CA ILE A 8 8.393 3.073 10.244 1.00 1.52 C ATOM 109 C ILE A 8 8.615 3.972 9.012 1.00 1.35 C ATOM 110 O ILE A 8 7.710 4.706 8.615 1.00 1.41 O ATOM 111 CB ILE A 8 8.932 3.703 11.548 1.00 1.66 C ATOM 112 CG1 ILE A 8 8.649 2.819 12.786 1.00 1.96 C ATOM 113 CG2 ILE A 8 8.347 5.111 11.753 1.00 1.76 C ATOM 114 CD1 ILE A 8 7.171 2.592 13.143 1.00 2.30 C ATOM 0 H ILE A 8 9.785 1.527 10.555 1.00 1.37 H new ATOM 0 HA ILE A 8 7.314 2.984 10.368 1.00 1.52 H new ATOM 0 HB ILE A 8 10.014 3.779 11.442 1.00 1.66 H new ATOM 0 HG12 ILE A 8 9.114 1.847 12.624 1.00 1.96 H new ATOM 0 HG13 ILE A 8 9.143 3.270 13.647 1.00 1.96 H new ATOM 0 HG21 ILE A 8 8.739 5.537 12.677 1.00 1.76 H new ATOM 0 HG22 ILE A 8 8.626 5.747 10.913 1.00 1.76 H new ATOM 0 HG23 ILE A 8 7.261 5.048 11.815 1.00 1.76 H new ATOM 0 HD11 ILE A 8 7.103 1.958 14.027 1.00 2.30 H new ATOM 0 HD12 ILE A 8 6.695 3.551 13.347 1.00 2.30 H new ATOM 0 HD13 ILE A 8 6.666 2.106 12.308 1.00 2.30 H new ATOM 126 N SER A 9 9.779 3.901 8.356 1.00 1.17 N ATOM 127 CA SER A 9 10.096 4.707 7.157 1.00 1.08 C ATOM 128 C SER A 9 9.320 4.290 5.895 1.00 1.15 C ATOM 129 O SER A 9 9.181 5.082 4.966 1.00 1.14 O ATOM 130 CB SER A 9 11.593 4.625 6.844 1.00 1.01 C ATOM 131 OG SER A 9 12.365 5.140 7.914 1.00 1.14 O ATOM 0 H SER A 9 10.537 3.280 8.639 1.00 1.17 H new ATOM 0 HA SER A 9 9.793 5.724 7.407 1.00 1.08 H new ATOM 0 HB2 SER A 9 11.872 3.588 6.656 1.00 1.01 H new ATOM 0 HB3 SER A 9 11.809 5.184 5.933 1.00 1.01 H new ATOM 0 HG SER A 9 13.317 5.075 7.691 1.00 1.14 H new ATOM 137 N LEU A 10 8.802 3.059 5.844 1.00 1.30 N ATOM 138 CA LEU A 10 7.929 2.540 4.781 1.00 1.55 C ATOM 139 C LEU A 10 6.498 3.114 4.815 1.00 1.78 C ATOM 140 O LEU A 10 5.721 2.862 3.894 1.00 2.12 O ATOM 141 CB LEU A 10 7.918 1.000 4.879 1.00 1.61 C ATOM 142 CG LEU A 10 9.139 0.327 4.226 1.00 1.65 C ATOM 143 CD1 LEU A 10 9.283 -1.113 4.718 1.00 2.12 C ATOM 144 CD2 LEU A 10 8.990 0.271 2.705 1.00 1.58 C ATOM 0 H LEU A 10 8.986 2.367 6.571 1.00 1.30 H new ATOM 0 HA LEU A 10 8.334 2.863 3.822 1.00 1.55 H new ATOM 0 HB2 LEU A 10 7.875 0.712 5.929 1.00 1.61 H new ATOM 0 HB3 LEU A 10 7.011 0.622 4.408 1.00 1.61 H new ATOM 0 HG LEU A 10 10.012 0.921 4.498 1.00 1.65 H new ATOM 0 HD11 LEU A 10 10.151 -1.574 4.246 1.00 2.12 H new ATOM 0 HD12 LEU A 10 9.414 -1.116 5.800 1.00 2.12 H new ATOM 0 HD13 LEU A 10 8.387 -1.677 4.459 1.00 2.12 H new ATOM 0 HD21 LEU A 10 9.867 -0.209 2.271 1.00 1.58 H new ATOM 0 HD22 LEU A 10 8.098 -0.301 2.448 1.00 1.58 H new ATOM 0 HD23 LEU A 10 8.898 1.283 2.311 1.00 1.58 H new ATOM 156 N GLN A 11 6.113 3.838 5.872 1.00 1.75 N ATOM 157 CA GLN A 11 4.734 4.296 6.075 1.00 2.01 C ATOM 158 C GLN A 11 4.453 5.665 5.435 1.00 2.14 C ATOM 159 O GLN A 11 5.226 6.618 5.572 1.00 2.18 O ATOM 160 CB GLN A 11 4.354 4.170 7.554 1.00 2.06 C ATOM 161 CG GLN A 11 4.143 2.681 7.841 1.00 1.85 C ATOM 162 CD GLN A 11 3.710 2.468 9.267 1.00 2.06 C ATOM 163 OE1 GLN A 11 2.590 2.778 9.666 1.00 2.38 O ATOM 164 NE2 GLN A 11 4.586 1.962 10.087 1.00 2.76 N ATOM 0 H GLN A 11 6.752 4.124 6.614 1.00 1.75 H new ATOM 0 HA GLN A 11 4.058 3.637 5.530 1.00 2.01 H new ATOM 0 HB2 GLN A 11 5.141 4.577 8.189 1.00 2.06 H new ATOM 0 HB3 GLN A 11 3.447 4.736 7.768 1.00 2.06 H new ATOM 0 HG2 GLN A 11 3.390 2.279 7.163 1.00 1.85 H new ATOM 0 HG3 GLN A 11 5.067 2.135 7.651 1.00 1.85 H new ATOM 0 HE21 GLN A 11 5.514 1.707 9.748 1.00 2.76 H new ATOM 0 HE22 GLN A 11 4.344 1.821 11.068 1.00 2.76 H new ATOM 173 N ALA A 12 3.332 5.745 4.717 1.00 2.24 N ATOM 174 CA ALA A 12 2.967 6.852 3.837 1.00 2.24 C ATOM 175 C ALA A 12 2.582 8.146 4.570 1.00 2.15 C ATOM 176 O ALA A 12 2.227 8.141 5.750 1.00 2.86 O ATOM 177 CB ALA A 12 1.832 6.379 2.919 1.00 2.57 C ATOM 0 H ALA A 12 2.626 5.009 4.735 1.00 2.24 H new ATOM 0 HA ALA A 12 3.853 7.120 3.261 1.00 2.24 H new ATOM 0 HB1 ALA A 12 1.542 7.190 2.251 1.00 2.57 H new ATOM 0 HB2 ALA A 12 2.172 5.528 2.329 1.00 2.57 H new ATOM 0 HB3 ALA A 12 0.975 6.082 3.523 1.00 2.57 H new ATOM 183 N THR A 13 2.628 9.254 3.832 1.00 1.72 N ATOM 184 CA THR A 13 2.319 10.614 4.307 1.00 1.58 C ATOM 185 C THR A 13 1.222 11.314 3.505 1.00 1.32 C ATOM 186 O THR A 13 0.520 12.173 4.046 1.00 1.33 O ATOM 187 CB THR A 13 3.590 11.476 4.298 1.00 1.59 C ATOM 188 OG1 THR A 13 4.332 11.321 3.107 1.00 2.05 O ATOM 189 CG2 THR A 13 4.526 11.070 5.433 1.00 2.00 C ATOM 0 H THR A 13 2.891 9.235 2.847 1.00 1.72 H new ATOM 0 HA THR A 13 1.939 10.500 5.322 1.00 1.58 H new ATOM 0 HB THR A 13 3.248 12.506 4.401 1.00 1.59 H new ATOM 0 HG1 THR A 13 4.054 12.000 2.458 1.00 2.05 H new ATOM 0 HG21 THR A 13 5.420 11.693 5.408 1.00 2.00 H new ATOM 0 HG22 THR A 13 4.018 11.202 6.388 1.00 2.00 H new ATOM 0 HG23 THR A 13 4.809 10.024 5.314 1.00 2.00 H new ATOM 197 N GLU A 14 1.029 10.954 2.235 1.00 1.18 N ATOM 198 CA GLU A 14 -0.027 11.496 1.369 1.00 1.01 C ATOM 199 C GLU A 14 -0.640 10.442 0.424 1.00 0.89 C ATOM 200 O GLU A 14 0.019 9.462 0.074 1.00 0.95 O ATOM 201 CB GLU A 14 0.476 12.745 0.622 1.00 1.10 C ATOM 202 CG GLU A 14 1.552 12.542 -0.452 1.00 1.23 C ATOM 203 CD GLU A 14 2.877 11.998 0.089 1.00 2.11 C ATOM 204 OE1 GLU A 14 3.490 12.630 0.984 1.00 3.35 O ATOM 205 OE2 GLU A 14 3.306 10.906 -0.359 1.00 3.03 O ATOM 0 H GLU A 14 1.614 10.262 1.767 1.00 1.18 H new ATOM 0 HA GLU A 14 -0.850 11.802 2.015 1.00 1.01 H new ATOM 0 HB2 GLU A 14 -0.383 13.224 0.152 1.00 1.10 H new ATOM 0 HB3 GLU A 14 0.866 13.445 1.361 1.00 1.10 H new ATOM 0 HG2 GLU A 14 1.171 11.856 -1.208 1.00 1.23 H new ATOM 0 HG3 GLU A 14 1.738 13.494 -0.950 1.00 1.23 H new ATOM 212 N ALA A 15 -1.900 10.636 0.016 1.00 0.78 N ATOM 213 CA ALA A 15 -2.643 9.750 -0.893 1.00 0.70 C ATOM 214 C ALA A 15 -3.539 10.526 -1.886 1.00 0.64 C ATOM 215 O ALA A 15 -3.795 11.719 -1.690 1.00 0.72 O ATOM 216 CB ALA A 15 -3.463 8.766 -0.043 1.00 0.65 C ATOM 0 H ALA A 15 -2.450 11.440 0.319 1.00 0.78 H new ATOM 0 HA ALA A 15 -1.931 9.206 -1.513 1.00 0.70 H new ATOM 0 HB1 ALA A 15 -4.023 8.098 -0.698 1.00 0.65 H new ATOM 0 HB2 ALA A 15 -2.791 8.180 0.584 1.00 0.65 H new ATOM 0 HB3 ALA A 15 -4.157 9.321 0.588 1.00 0.65 H new ATOM 222 N THR A 16 -4.024 9.847 -2.937 1.00 0.57 N ATOM 223 CA THR A 16 -4.869 10.435 -4.003 1.00 0.54 C ATOM 224 C THR A 16 -6.258 9.774 -4.074 1.00 0.51 C ATOM 225 O THR A 16 -6.403 8.705 -4.665 1.00 0.62 O ATOM 226 CB THR A 16 -4.177 10.367 -5.383 1.00 0.67 C ATOM 227 OG1 THR A 16 -2.770 10.488 -5.287 1.00 0.96 O ATOM 228 CG2 THR A 16 -4.666 11.488 -6.298 1.00 1.04 C ATOM 0 H THR A 16 -3.840 8.854 -3.078 1.00 0.57 H new ATOM 0 HA THR A 16 -5.009 11.483 -3.738 1.00 0.54 H new ATOM 0 HB THR A 16 -4.433 9.390 -5.793 1.00 0.67 H new ATOM 0 HG1 THR A 16 -2.375 10.438 -6.183 1.00 0.96 H new ATOM 0 HG21 THR A 16 -4.163 11.416 -7.262 1.00 1.04 H new ATOM 0 HG22 THR A 16 -5.742 11.396 -6.443 1.00 1.04 H new ATOM 0 HG23 THR A 16 -4.442 12.453 -5.843 1.00 1.04 H new ATOM 236 N ILE A 17 -7.291 10.384 -3.477 1.00 0.44 N ATOM 237 CA ILE A 17 -8.662 9.825 -3.432 1.00 0.46 C ATOM 238 C ILE A 17 -9.418 10.154 -4.723 1.00 0.51 C ATOM 239 O ILE A 17 -9.518 11.321 -5.089 1.00 0.57 O ATOM 240 CB ILE A 17 -9.463 10.330 -2.200 1.00 0.48 C ATOM 241 CG1 ILE A 17 -8.754 9.991 -0.867 1.00 0.51 C ATOM 242 CG2 ILE A 17 -10.887 9.728 -2.206 1.00 0.66 C ATOM 243 CD1 ILE A 17 -9.446 10.558 0.382 1.00 0.58 C ATOM 0 H ILE A 17 -7.205 11.285 -3.007 1.00 0.44 H new ATOM 0 HA ILE A 17 -8.564 8.744 -3.337 1.00 0.46 H new ATOM 0 HB ILE A 17 -9.524 11.416 -2.275 1.00 0.48 H new ATOM 0 HG12 ILE A 17 -8.688 8.907 -0.770 1.00 0.51 H new ATOM 0 HG13 ILE A 17 -7.733 10.371 -0.906 1.00 0.51 H new ATOM 0 HG21 ILE A 17 -11.438 10.089 -1.338 1.00 0.66 H new ATOM 0 HG22 ILE A 17 -11.405 10.029 -3.116 1.00 0.66 H new ATOM 0 HG23 ILE A 17 -10.822 8.641 -2.168 1.00 0.66 H new ATOM 0 HD11 ILE A 17 -8.883 10.273 1.271 1.00 0.58 H new ATOM 0 HD12 ILE A 17 -9.489 11.645 0.312 1.00 0.58 H new ATOM 0 HD13 ILE A 17 -10.458 10.159 0.450 1.00 0.58 H new ATOM 255 N VAL A 18 -10.034 9.164 -5.374 1.00 0.63 N ATOM 256 CA VAL A 18 -10.973 9.383 -6.490 1.00 0.65 C ATOM 257 C VAL A 18 -12.390 9.499 -5.917 1.00 0.80 C ATOM 258 O VAL A 18 -12.950 8.515 -5.426 1.00 0.92 O ATOM 259 CB VAL A 18 -10.868 8.264 -7.545 1.00 0.72 C ATOM 260 CG1 VAL A 18 -11.761 8.558 -8.758 1.00 1.76 C ATOM 261 CG2 VAL A 18 -9.426 8.062 -8.035 1.00 1.54 C ATOM 0 H VAL A 18 -9.898 8.180 -5.144 1.00 0.63 H new ATOM 0 HA VAL A 18 -10.719 10.308 -7.007 1.00 0.65 H new ATOM 0 HB VAL A 18 -11.203 7.352 -7.052 1.00 0.72 H new ATOM 0 HG11 VAL A 18 -11.665 7.751 -9.484 1.00 1.76 H new ATOM 0 HG12 VAL A 18 -12.799 8.635 -8.435 1.00 1.76 H new ATOM 0 HG13 VAL A 18 -11.454 9.498 -9.217 1.00 1.76 H new ATOM 0 HG21 VAL A 18 -9.402 7.264 -8.777 1.00 1.54 H new ATOM 0 HG22 VAL A 18 -9.062 8.986 -8.484 1.00 1.54 H new ATOM 0 HG23 VAL A 18 -8.790 7.793 -7.192 1.00 1.54 H new ATOM 271 N THR A 19 -12.958 10.707 -5.948 1.00 1.07 N ATOM 272 CA THR A 19 -14.284 11.053 -5.396 1.00 1.43 C ATOM 273 C THR A 19 -15.306 11.207 -6.532 1.00 1.41 C ATOM 274 O THR A 19 -14.936 11.598 -7.643 1.00 1.14 O ATOM 275 CB THR A 19 -14.193 12.350 -4.564 1.00 1.71 C ATOM 276 OG1 THR A 19 -13.138 12.272 -3.623 1.00 1.93 O ATOM 277 CG2 THR A 19 -15.456 12.647 -3.756 1.00 2.17 C ATOM 0 H THR A 19 -12.493 11.509 -6.374 1.00 1.07 H new ATOM 0 HA THR A 19 -14.616 10.247 -4.741 1.00 1.43 H new ATOM 0 HB THR A 19 -14.035 13.138 -5.300 1.00 1.71 H new ATOM 0 HG1 THR A 19 -13.097 13.105 -3.108 1.00 1.93 H new ATOM 0 HG21 THR A 19 -15.321 13.572 -3.196 1.00 2.17 H new ATOM 0 HG22 THR A 19 -16.304 12.753 -4.432 1.00 2.17 H new ATOM 0 HG23 THR A 19 -15.645 11.828 -3.062 1.00 2.17 H new ATOM 391 N LEU A 27 -16.039 11.715 -12.125 1.00 1.54 N ATOM 392 CA LEU A 27 -14.841 11.305 -11.392 1.00 1.33 C ATOM 393 C LEU A 27 -13.921 12.518 -11.191 1.00 1.16 C ATOM 394 O LEU A 27 -13.454 13.113 -12.167 1.00 1.50 O ATOM 395 CB LEU A 27 -14.122 10.165 -12.144 1.00 1.59 C ATOM 396 CG LEU A 27 -14.742 8.759 -11.996 1.00 2.12 C ATOM 397 CD1 LEU A 27 -16.146 8.618 -12.595 1.00 2.49 C ATOM 398 CD2 LEU A 27 -13.836 7.744 -12.694 1.00 2.63 C ATOM 0 HA LEU A 27 -15.123 10.925 -10.410 1.00 1.33 H new ATOM 0 HB2 LEU A 27 -14.093 10.418 -13.204 1.00 1.59 H new ATOM 0 HB3 LEU A 27 -13.089 10.123 -11.798 1.00 1.59 H new ATOM 0 HG LEU A 27 -14.831 8.583 -10.924 1.00 2.12 H new ATOM 0 HD11 LEU A 27 -16.504 7.599 -12.446 1.00 2.49 H new ATOM 0 HD12 LEU A 27 -16.823 9.316 -12.103 1.00 2.49 H new ATOM 0 HD13 LEU A 27 -16.110 8.838 -13.662 1.00 2.49 H new ATOM 0 HD21 LEU A 27 -14.264 6.746 -12.596 1.00 2.63 H new ATOM 0 HD22 LEU A 27 -13.749 8.000 -13.750 1.00 2.63 H new ATOM 0 HD23 LEU A 27 -12.848 7.762 -12.234 1.00 2.63 H new ATOM 410 N SER A 28 -13.631 12.871 -9.938 1.00 0.93 N ATOM 411 CA SER A 28 -12.761 13.997 -9.575 1.00 1.01 C ATOM 412 C SER A 28 -11.834 13.607 -8.425 1.00 0.87 C ATOM 413 O SER A 28 -12.279 13.105 -7.394 1.00 1.10 O ATOM 414 CB SER A 28 -13.621 15.195 -9.177 1.00 1.36 C ATOM 415 OG SER A 28 -12.820 16.352 -8.997 1.00 1.79 O ATOM 0 H SER A 28 -14.001 12.373 -9.128 1.00 0.93 H new ATOM 0 HA SER A 28 -12.146 14.264 -10.434 1.00 1.01 H new ATOM 0 HB2 SER A 28 -14.370 15.382 -9.946 1.00 1.36 H new ATOM 0 HB3 SER A 28 -14.159 14.972 -8.255 1.00 1.36 H new ATOM 0 HG SER A 28 -13.390 17.108 -8.744 1.00 1.79 H new ATOM 421 N GLU A 29 -10.529 13.820 -8.588 1.00 0.84 N ATOM 422 CA GLU A 29 -9.517 13.291 -7.671 1.00 0.69 C ATOM 423 C GLU A 29 -8.977 14.364 -6.709 1.00 0.71 C ATOM 424 O GLU A 29 -8.901 15.550 -7.044 1.00 0.82 O ATOM 425 CB GLU A 29 -8.404 12.539 -8.427 1.00 0.81 C ATOM 426 CG GLU A 29 -8.900 11.613 -9.562 1.00 0.90 C ATOM 427 CD GLU A 29 -9.219 12.321 -10.897 1.00 1.52 C ATOM 428 OE1 GLU A 29 -9.109 13.570 -10.991 1.00 2.61 O ATOM 429 OE2 GLU A 29 -9.594 11.633 -11.880 1.00 2.41 O ATOM 0 H GLU A 29 -10.142 14.364 -9.359 1.00 0.84 H new ATOM 0 HA GLU A 29 -10.010 12.554 -7.037 1.00 0.69 H new ATOM 0 HB2 GLU A 29 -7.714 13.270 -8.849 1.00 0.81 H new ATOM 0 HB3 GLU A 29 -7.838 11.942 -7.712 1.00 0.81 H new ATOM 0 HG2 GLU A 29 -8.142 10.852 -9.745 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -9.796 11.095 -9.221 1.00 0.90 H new ATOM 436 N GLU A 30 -8.631 13.959 -5.491 1.00 0.65 N ATOM 437 CA GLU A 30 -8.293 14.828 -4.357 1.00 0.65 C ATOM 438 C GLU A 30 -6.940 14.421 -3.755 1.00 0.61 C ATOM 439 O GLU A 30 -6.672 13.228 -3.589 1.00 0.59 O ATOM 440 CB GLU A 30 -9.394 14.726 -3.282 1.00 0.76 C ATOM 441 CG GLU A 30 -10.838 14.905 -3.788 1.00 1.00 C ATOM 442 CD GLU A 30 -11.099 16.267 -4.439 1.00 2.12 C ATOM 443 OE1 GLU A 30 -10.789 17.313 -3.821 1.00 2.61 O ATOM 444 OE2 GLU A 30 -11.714 16.329 -5.533 1.00 3.53 O ATOM 0 H GLU A 30 -8.574 12.969 -5.251 1.00 0.65 H new ATOM 0 HA GLU A 30 -8.223 15.857 -4.710 1.00 0.65 H new ATOM 0 HB2 GLU A 30 -9.316 13.752 -2.799 1.00 0.76 H new ATOM 0 HB3 GLU A 30 -9.200 15.478 -2.517 1.00 0.76 H new ATOM 0 HG2 GLU A 30 -11.061 14.119 -4.510 1.00 1.00 H new ATOM 0 HG3 GLU A 30 -11.525 14.774 -2.952 1.00 1.00 H new ATOM 451 N GLN A 31 -6.090 15.387 -3.396 1.00 0.79 N ATOM 452 CA GLN A 31 -4.782 15.128 -2.783 1.00 0.88 C ATOM 453 C GLN A 31 -4.885 15.323 -1.265 1.00 0.82 C ATOM 454 O GLN A 31 -5.168 16.427 -0.801 1.00 0.90 O ATOM 455 CB GLN A 31 -3.715 16.047 -3.405 1.00 1.21 C ATOM 456 CG GLN A 31 -3.459 15.750 -4.891 1.00 1.48 C ATOM 457 CD GLN A 31 -2.160 16.368 -5.349 1.00 2.01 C ATOM 458 OE1 GLN A 31 -2.048 17.501 -5.790 1.00 2.51 O ATOM 459 NE2 GLN A 31 -1.095 15.629 -5.191 1.00 2.13 N ATOM 0 H GLN A 31 -6.291 16.379 -3.523 1.00 0.79 H new ATOM 0 HA GLN A 31 -4.479 14.099 -2.975 1.00 0.88 H new ATOM 0 HB2 GLN A 31 -4.030 17.085 -3.297 1.00 1.21 H new ATOM 0 HB3 GLN A 31 -2.782 15.937 -2.852 1.00 1.21 H new ATOM 0 HG2 GLN A 31 -3.429 14.672 -5.050 1.00 1.48 H new ATOM 0 HG3 GLN A 31 -4.282 16.139 -5.491 1.00 1.48 H new ATOM 0 HE21 GLN A 31 -1.182 14.682 -4.823 1.00 2.13 H new ATOM 0 HE22 GLN A 31 -0.177 15.999 -5.436 1.00 2.13 H new ATOM 468 N VAL A 32 -4.666 14.259 -0.484 1.00 0.77 N ATOM 469 CA VAL A 32 -4.886 14.247 0.977 1.00 0.83 C ATOM 470 C VAL A 32 -3.661 13.772 1.767 1.00 0.87 C ATOM 471 O VAL A 32 -2.733 13.205 1.188 1.00 0.87 O ATOM 472 CB VAL A 32 -6.128 13.412 1.349 1.00 0.81 C ATOM 473 CG1 VAL A 32 -7.386 13.896 0.620 1.00 0.82 C ATOM 474 CG2 VAL A 32 -5.952 11.909 1.097 1.00 0.75 C ATOM 0 H VAL A 32 -4.327 13.369 -0.848 1.00 0.77 H new ATOM 0 HA VAL A 32 -5.061 15.284 1.263 1.00 0.83 H new ATOM 0 HB VAL A 32 -6.249 13.561 2.422 1.00 0.81 H new ATOM 0 HG11 VAL A 32 -8.236 13.279 0.912 1.00 0.82 H new ATOM 0 HG12 VAL A 32 -7.583 14.935 0.885 1.00 0.82 H new ATOM 0 HG13 VAL A 32 -7.235 13.819 -0.457 1.00 0.82 H new ATOM 0 HG21 VAL A 32 -6.864 11.383 1.381 1.00 0.75 H new ATOM 0 HG22 VAL A 32 -5.749 11.739 0.040 1.00 0.75 H new ATOM 0 HG23 VAL A 32 -5.118 11.536 1.691 1.00 0.75 H new ATOM 484 N ASP A 33 -3.660 13.995 3.083 1.00 1.01 N ATOM 485 CA ASP A 33 -2.699 13.432 4.047 1.00 1.06 C ATOM 486 C ASP A 33 -3.143 12.056 4.592 1.00 1.00 C ATOM 487 O ASP A 33 -4.319 11.695 4.528 1.00 0.93 O ATOM 488 CB ASP A 33 -2.440 14.419 5.194 1.00 1.17 C ATOM 489 CG ASP A 33 -1.822 15.725 4.707 1.00 2.34 C ATOM 490 OD1 ASP A 33 -0.655 15.716 4.249 1.00 2.76 O ATOM 491 OD2 ASP A 33 -2.498 16.774 4.762 1.00 3.83 O ATOM 0 H ASP A 33 -4.354 14.596 3.528 1.00 1.01 H new ATOM 0 HA ASP A 33 -1.766 13.269 3.508 1.00 1.06 H new ATOM 0 HB2 ASP A 33 -3.379 14.633 5.705 1.00 1.17 H new ATOM 0 HB3 ASP A 33 -1.777 13.957 5.925 1.00 1.17 H new ATOM 496 N VAL A 34 -2.207 11.278 5.149 1.00 1.13 N ATOM 497 CA VAL A 34 -2.433 9.868 5.544 1.00 1.05 C ATOM 498 C VAL A 34 -3.499 9.648 6.636 1.00 1.09 C ATOM 499 O VAL A 34 -4.163 8.610 6.634 1.00 1.02 O ATOM 500 CB VAL A 34 -1.094 9.190 5.900 1.00 1.33 C ATOM 501 CG1 VAL A 34 -0.476 9.755 7.184 1.00 1.67 C ATOM 502 CG2 VAL A 34 -1.222 7.665 6.011 1.00 1.36 C ATOM 0 H VAL A 34 -1.261 11.605 5.343 1.00 1.13 H new ATOM 0 HA VAL A 34 -2.863 9.386 4.666 1.00 1.05 H new ATOM 0 HB VAL A 34 -0.424 9.417 5.070 1.00 1.33 H new ATOM 0 HG11 VAL A 34 0.465 9.244 7.390 1.00 1.67 H new ATOM 0 HG12 VAL A 34 -0.290 10.822 7.059 1.00 1.67 H new ATOM 0 HG13 VAL A 34 -1.163 9.601 8.017 1.00 1.67 H new ATOM 0 HG21 VAL A 34 -0.252 7.236 6.263 1.00 1.36 H new ATOM 0 HG22 VAL A 34 -1.943 7.416 6.790 1.00 1.36 H new ATOM 0 HG23 VAL A 34 -1.562 7.258 5.059 1.00 1.36 H new ATOM 512 N GLU A 35 -3.741 10.602 7.543 1.00 1.31 N ATOM 513 CA GLU A 35 -4.858 10.497 8.503 1.00 1.50 C ATOM 514 C GLU A 35 -6.230 10.794 7.852 1.00 1.41 C ATOM 515 O GLU A 35 -7.270 10.411 8.390 1.00 1.65 O ATOM 516 CB GLU A 35 -4.578 11.385 9.733 1.00 1.92 C ATOM 517 CG GLU A 35 -5.464 11.035 10.945 1.00 2.65 C ATOM 518 CD GLU A 35 -5.129 11.846 12.207 1.00 3.26 C ATOM 519 OE1 GLU A 35 -4.588 12.973 12.119 1.00 3.47 O ATOM 520 OE2 GLU A 35 -5.489 11.434 13.336 1.00 4.39 O ATOM 0 H GLU A 35 -3.185 11.452 7.636 1.00 1.31 H new ATOM 0 HA GLU A 35 -4.921 9.462 8.840 1.00 1.50 H new ATOM 0 HB2 GLU A 35 -3.530 11.284 10.015 1.00 1.92 H new ATOM 0 HB3 GLU A 35 -4.737 12.429 9.464 1.00 1.92 H new ATOM 0 HG2 GLU A 35 -6.508 11.203 10.682 1.00 2.65 H new ATOM 0 HG3 GLU A 35 -5.358 9.973 11.167 1.00 2.65 H new ATOM 527 N LEU A 36 -6.263 11.429 6.676 1.00 1.17 N ATOM 528 CA LEU A 36 -7.481 11.928 6.015 1.00 1.16 C ATOM 529 C LEU A 36 -8.076 10.944 4.984 1.00 1.05 C ATOM 530 O LEU A 36 -9.192 11.150 4.495 1.00 1.19 O ATOM 531 CB LEU A 36 -7.159 13.295 5.384 1.00 1.10 C ATOM 532 CG LEU A 36 -6.481 14.314 6.324 1.00 1.27 C ATOM 533 CD1 LEU A 36 -6.201 15.616 5.581 1.00 1.24 C ATOM 534 CD2 LEU A 36 -7.334 14.627 7.549 1.00 1.54 C ATOM 0 H LEU A 36 -5.417 11.618 6.138 1.00 1.17 H new ATOM 0 HA LEU A 36 -8.261 12.034 6.769 1.00 1.16 H new ATOM 0 HB2 LEU A 36 -6.512 13.135 4.522 1.00 1.10 H new ATOM 0 HB3 LEU A 36 -8.085 13.731 5.010 1.00 1.10 H new ATOM 0 HG LEU A 36 -5.549 13.858 6.659 1.00 1.27 H new ATOM 0 HD11 LEU A 36 -5.723 16.325 6.257 1.00 1.24 H new ATOM 0 HD12 LEU A 36 -5.541 15.418 4.736 1.00 1.24 H new ATOM 0 HD13 LEU A 36 -7.139 16.037 5.218 1.00 1.24 H new ATOM 0 HD21 LEU A 36 -6.814 15.348 8.180 1.00 1.54 H new ATOM 0 HD22 LEU A 36 -8.289 15.045 7.230 1.00 1.54 H new ATOM 0 HD23 LEU A 36 -7.509 13.711 8.114 1.00 1.54 H new ATOM 546 N VAL A 37 -7.348 9.865 4.676 1.00 0.88 N ATOM 547 CA VAL A 37 -7.816 8.695 3.912 1.00 0.85 C ATOM 548 C VAL A 37 -8.359 7.637 4.882 1.00 0.99 C ATOM 549 O VAL A 37 -7.807 7.438 5.967 1.00 1.45 O ATOM 550 CB VAL A 37 -6.720 8.156 2.966 1.00 0.74 C ATOM 551 CG1 VAL A 37 -5.381 7.875 3.658 1.00 0.80 C ATOM 552 CG2 VAL A 37 -7.160 6.885 2.234 1.00 0.95 C ATOM 0 H VAL A 37 -6.373 9.776 4.963 1.00 0.88 H new ATOM 0 HA VAL A 37 -8.635 8.992 3.257 1.00 0.85 H new ATOM 0 HB VAL A 37 -6.570 8.966 2.252 1.00 0.74 H new ATOM 0 HG11 VAL A 37 -4.665 7.500 2.927 1.00 0.80 H new ATOM 0 HG12 VAL A 37 -5.000 8.796 4.100 1.00 0.80 H new ATOM 0 HG13 VAL A 37 -5.525 7.130 4.440 1.00 0.80 H new ATOM 0 HG21 VAL A 37 -6.356 6.544 1.581 1.00 0.95 H new ATOM 0 HG22 VAL A 37 -7.390 6.107 2.962 1.00 0.95 H new ATOM 0 HG23 VAL A 37 -8.047 7.097 1.637 1.00 0.95 H new ATOM 562 N GLN A 38 -9.471 6.996 4.529 1.00 1.09 N ATOM 563 CA GLN A 38 -10.260 6.122 5.405 1.00 1.07 C ATOM 564 C GLN A 38 -10.709 4.831 4.702 1.00 1.07 C ATOM 565 O GLN A 38 -10.611 4.704 3.478 1.00 1.06 O ATOM 566 CB GLN A 38 -11.445 6.923 5.960 1.00 1.12 C ATOM 567 CG GLN A 38 -11.003 8.041 6.917 1.00 1.69 C ATOM 568 CD GLN A 38 -12.190 8.815 7.415 1.00 2.03 C ATOM 569 OE1 GLN A 38 -12.649 8.673 8.541 1.00 2.88 O ATOM 570 NE2 GLN A 38 -12.774 9.628 6.588 1.00 2.44 N ATOM 0 H GLN A 38 -9.865 7.071 3.591 1.00 1.09 H new ATOM 0 HA GLN A 38 -9.631 5.791 6.231 1.00 1.07 H new ATOM 0 HB2 GLN A 38 -12.005 7.358 5.132 1.00 1.12 H new ATOM 0 HB3 GLN A 38 -12.122 6.248 6.483 1.00 1.12 H new ATOM 0 HG2 GLN A 38 -10.463 7.612 7.761 1.00 1.69 H new ATOM 0 HG3 GLN A 38 -10.313 8.713 6.406 1.00 1.69 H new ATOM 0 HE21 GLN A 38 -12.400 9.754 5.647 1.00 2.44 H new ATOM 0 HE22 GLN A 38 -13.606 10.141 6.879 1.00 2.44 H new ATOM 579 N ARG A 39 -11.218 3.861 5.476 1.00 1.13 N ATOM 580 CA ARG A 39 -11.460 2.471 5.014 1.00 1.12 C ATOM 581 C ARG A 39 -12.586 2.248 3.978 1.00 1.32 C ATOM 582 O ARG A 39 -12.910 1.107 3.644 1.00 2.27 O ATOM 583 CB ARG A 39 -11.542 1.532 6.232 1.00 1.26 C ATOM 584 CG ARG A 39 -12.960 1.286 6.748 1.00 1.76 C ATOM 585 CD ARG A 39 -12.909 0.565 8.093 1.00 2.06 C ATOM 586 NE ARG A 39 -14.249 0.068 8.455 1.00 2.79 N ATOM 587 CZ ARG A 39 -14.549 -1.183 8.758 1.00 3.37 C ATOM 588 NH1 ARG A 39 -13.658 -2.065 9.101 1.00 3.46 N ATOM 589 NH2 ARG A 39 -15.771 -1.618 8.715 1.00 4.38 N ATOM 0 H ARG A 39 -11.478 4.013 6.450 1.00 1.13 H new ATOM 0 HA ARG A 39 -10.591 2.215 4.407 1.00 1.12 H new ATOM 0 HB2 ARG A 39 -11.094 0.574 5.967 1.00 1.26 H new ATOM 0 HB3 ARG A 39 -10.943 1.952 7.040 1.00 1.26 H new ATOM 0 HG2 ARG A 39 -13.487 2.234 6.854 1.00 1.76 H new ATOM 0 HG3 ARG A 39 -13.520 0.690 6.027 1.00 1.76 H new ATOM 0 HD2 ARG A 39 -12.206 -0.267 8.042 1.00 2.06 H new ATOM 0 HD3 ARG A 39 -12.544 1.244 8.864 1.00 2.06 H new ATOM 0 HE ARG A 39 -15.009 0.748 8.473 1.00 2.79 H new ATOM 0 HH11 ARG A 39 -12.673 -1.804 9.146 1.00 3.46 H new ATOM 0 HH12 ARG A 39 -13.944 -3.018 9.325 1.00 3.46 H new ATOM 0 HH21 ARG A 39 -16.527 -0.990 8.442 1.00 4.38 H new ATOM 0 HH22 ARG A 39 -15.976 -2.588 8.954 1.00 4.38 H new ATOM 603 N GLY A 40 -13.209 3.317 3.484 1.00 1.18 N ATOM 604 CA GLY A 40 -14.186 3.308 2.389 1.00 1.25 C ATOM 605 C GLY A 40 -13.746 4.095 1.146 1.00 1.13 C ATOM 606 O GLY A 40 -14.564 4.281 0.242 1.00 1.37 O ATOM 0 H GLY A 40 -13.042 4.254 3.850 1.00 1.18 H new ATOM 0 HA2 GLY A 40 -14.382 2.275 2.101 1.00 1.25 H new ATOM 0 HA3 GLY A 40 -15.127 3.722 2.753 1.00 1.25 H new ATOM 610 N ASP A 41 -12.499 4.580 1.091 1.00 0.93 N ATOM 611 CA ASP A 41 -11.972 5.387 -0.020 1.00 0.92 C ATOM 612 C ASP A 41 -11.323 4.531 -1.131 1.00 0.79 C ATOM 613 O ASP A 41 -10.805 3.435 -0.879 1.00 0.77 O ATOM 614 CB ASP A 41 -10.979 6.442 0.509 1.00 1.01 C ATOM 615 CG ASP A 41 -11.569 7.454 1.502 1.00 1.34 C ATOM 616 OD1 ASP A 41 -12.798 7.714 1.499 1.00 1.70 O ATOM 617 OD2 ASP A 41 -10.801 8.033 2.300 1.00 2.71 O ATOM 0 H ASP A 41 -11.815 4.420 1.830 1.00 0.93 H new ATOM 0 HA ASP A 41 -12.823 5.892 -0.478 1.00 0.92 H new ATOM 0 HB2 ASP A 41 -10.148 5.927 0.991 1.00 1.01 H new ATOM 0 HB3 ASP A 41 -10.567 6.988 -0.340 1.00 1.01 H new ATOM 622 N ILE A 42 -11.332 5.051 -2.363 1.00 0.77 N ATOM 623 CA ILE A 42 -10.724 4.447 -3.560 1.00 0.75 C ATOM 624 C ILE A 42 -9.550 5.311 -4.041 1.00 0.69 C ATOM 625 O ILE A 42 -9.730 6.493 -4.340 1.00 0.74 O ATOM 626 CB ILE A 42 -11.763 4.273 -4.686 1.00 0.88 C ATOM 627 CG1 ILE A 42 -13.028 3.505 -4.246 1.00 1.10 C ATOM 628 CG2 ILE A 42 -11.117 3.591 -5.908 1.00 0.85 C ATOM 629 CD1 ILE A 42 -12.819 2.090 -3.700 1.00 1.32 C ATOM 0 H ILE A 42 -11.782 5.944 -2.565 1.00 0.77 H new ATOM 0 HA ILE A 42 -10.353 3.457 -3.295 1.00 0.75 H new ATOM 0 HB ILE A 42 -12.095 5.276 -4.956 1.00 0.88 H new ATOM 0 HG12 ILE A 42 -13.534 4.093 -3.481 1.00 1.10 H new ATOM 0 HG13 ILE A 42 -13.703 3.444 -5.100 1.00 1.10 H new ATOM 0 HG21 ILE A 42 -11.862 3.474 -6.695 1.00 0.85 H new ATOM 0 HG22 ILE A 42 -10.294 4.205 -6.275 1.00 0.85 H new ATOM 0 HG23 ILE A 42 -10.738 2.611 -5.619 1.00 0.85 H new ATOM 0 HD11 ILE A 42 -13.782 1.659 -3.427 1.00 1.32 H new ATOM 0 HD12 ILE A 42 -12.348 1.471 -4.464 1.00 1.32 H new ATOM 0 HD13 ILE A 42 -12.177 2.131 -2.820 1.00 1.32 H new ATOM 641 N ILE A 43 -8.350 4.732 -4.133 1.00 0.65 N ATOM 642 CA ILE A 43 -7.092 5.439 -4.416 1.00 0.67 C ATOM 643 C ILE A 43 -6.516 5.040 -5.779 1.00 0.69 C ATOM 644 O ILE A 43 -6.249 3.860 -6.008 1.00 0.80 O ATOM 645 CB ILE A 43 -6.067 5.121 -3.292 1.00 0.73 C ATOM 646 CG1 ILE A 43 -6.596 5.380 -1.863 1.00 0.81 C ATOM 647 CG2 ILE A 43 -4.734 5.862 -3.497 1.00 0.83 C ATOM 648 CD1 ILE A 43 -7.107 6.800 -1.609 1.00 0.88 C ATOM 0 H ILE A 43 -8.220 3.728 -4.009 1.00 0.65 H new ATOM 0 HA ILE A 43 -7.296 6.509 -4.446 1.00 0.67 H new ATOM 0 HB ILE A 43 -5.897 4.048 -3.378 1.00 0.73 H new ATOM 0 HG12 ILE A 43 -7.404 4.677 -1.658 1.00 0.81 H new ATOM 0 HG13 ILE A 43 -5.798 5.165 -1.152 1.00 0.81 H new ATOM 0 HG21 ILE A 43 -4.049 5.609 -2.688 1.00 0.83 H new ATOM 0 HG22 ILE A 43 -4.295 5.565 -4.450 1.00 0.83 H new ATOM 0 HG23 ILE A 43 -4.912 6.937 -3.499 1.00 0.83 H new ATOM 0 HD11 ILE A 43 -7.456 6.882 -0.580 1.00 0.88 H new ATOM 0 HD12 ILE A 43 -6.299 7.513 -1.776 1.00 0.88 H new ATOM 0 HD13 ILE A 43 -7.930 7.018 -2.290 1.00 0.88 H new ATOM 660 N LYS A 44 -6.248 6.003 -6.671 1.00 0.74 N ATOM 661 CA LYS A 44 -5.485 5.742 -7.909 1.00 0.75 C ATOM 662 C LYS A 44 -3.981 5.671 -7.609 1.00 0.70 C ATOM 663 O LYS A 44 -3.447 6.552 -6.932 1.00 0.81 O ATOM 664 CB LYS A 44 -5.816 6.760 -9.011 1.00 0.92 C ATOM 665 CG LYS A 44 -5.242 6.256 -10.350 1.00 1.84 C ATOM 666 CD LYS A 44 -5.452 7.218 -11.515 1.00 2.37 C ATOM 667 CE LYS A 44 -6.902 7.263 -12.004 1.00 2.11 C ATOM 668 NZ LYS A 44 -7.047 8.145 -13.184 1.00 2.43 N ATOM 0 H LYS A 44 -6.547 6.972 -6.562 1.00 0.74 H new ATOM 0 HA LYS A 44 -5.789 4.770 -8.297 1.00 0.75 H new ATOM 0 HB2 LYS A 44 -6.895 6.892 -9.090 1.00 0.92 H new ATOM 0 HB3 LYS A 44 -5.393 7.734 -8.763 1.00 0.92 H new ATOM 0 HG2 LYS A 44 -4.174 6.074 -10.230 1.00 1.84 H new ATOM 0 HG3 LYS A 44 -5.703 5.299 -10.594 1.00 1.84 H new ATOM 0 HD2 LYS A 44 -5.146 8.219 -11.211 1.00 2.37 H new ATOM 0 HD3 LYS A 44 -4.805 6.924 -12.342 1.00 2.37 H new ATOM 0 HE2 LYS A 44 -7.233 6.256 -12.258 1.00 2.11 H new ATOM 0 HE3 LYS A 44 -7.548 7.618 -11.201 1.00 2.11 H new ATOM 0 HZ1 LYS A 44 -8.041 8.154 -13.491 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 -6.753 9.111 -12.934 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 -6.449 7.791 -13.958 1.00 2.43 H new ATOM 682 N VAL A 45 -3.305 4.643 -8.127 1.00 0.61 N ATOM 683 CA VAL A 45 -1.850 4.437 -8.016 1.00 0.55 C ATOM 684 C VAL A 45 -1.194 4.349 -9.402 1.00 0.60 C ATOM 685 O VAL A 45 -1.702 3.660 -10.287 1.00 0.66 O ATOM 686 CB VAL A 45 -1.545 3.218 -7.120 1.00 0.47 C ATOM 687 CG1 VAL A 45 -2.029 1.889 -7.704 1.00 0.59 C ATOM 688 CG2 VAL A 45 -0.051 3.069 -6.807 1.00 0.52 C ATOM 0 H VAL A 45 -3.767 3.902 -8.655 1.00 0.61 H new ATOM 0 HA VAL A 45 -1.405 5.305 -7.529 1.00 0.55 H new ATOM 0 HB VAL A 45 -2.100 3.430 -6.206 1.00 0.47 H new ATOM 0 HG11 VAL A 45 -1.780 1.078 -7.019 1.00 0.59 H new ATOM 0 HG12 VAL A 45 -3.109 1.925 -7.845 1.00 0.59 H new ATOM 0 HG13 VAL A 45 -1.543 1.715 -8.664 1.00 0.59 H new ATOM 0 HG21 VAL A 45 0.103 2.195 -6.174 1.00 0.52 H new ATOM 0 HG22 VAL A 45 0.505 2.946 -7.736 1.00 0.52 H new ATOM 0 HG23 VAL A 45 0.303 3.960 -6.288 1.00 0.52 H new ATOM 698 N VAL A 46 -0.078 5.056 -9.598 1.00 0.67 N ATOM 699 CA VAL A 46 0.616 5.196 -10.900 1.00 0.77 C ATOM 700 C VAL A 46 1.665 4.093 -11.157 1.00 0.79 C ATOM 701 O VAL A 46 2.105 3.427 -10.208 1.00 0.78 O ATOM 702 CB VAL A 46 1.254 6.603 -11.022 1.00 0.96 C ATOM 703 CG1 VAL A 46 0.204 7.711 -10.862 1.00 1.05 C ATOM 704 CG2 VAL A 46 2.404 6.851 -10.037 1.00 1.05 C ATOM 0 H VAL A 46 0.386 5.562 -8.844 1.00 0.67 H new ATOM 0 HA VAL A 46 -0.144 5.075 -11.672 1.00 0.77 H new ATOM 0 HB VAL A 46 1.676 6.633 -12.027 1.00 0.96 H new ATOM 0 HG11 VAL A 46 0.686 8.685 -10.953 1.00 1.05 H new ATOM 0 HG12 VAL A 46 -0.555 7.608 -11.637 1.00 1.05 H new ATOM 0 HG13 VAL A 46 -0.265 7.629 -9.882 1.00 1.05 H new ATOM 0 HG21 VAL A 46 2.798 7.856 -10.184 1.00 1.05 H new ATOM 0 HG22 VAL A 46 2.036 6.751 -9.016 1.00 1.05 H new ATOM 0 HG23 VAL A 46 3.195 6.122 -10.211 1.00 1.05 H new ATOM 714 N PRO A 47 2.118 3.863 -12.409 1.00 0.91 N ATOM 715 CA PRO A 47 3.295 3.030 -12.660 1.00 1.00 C ATOM 716 C PRO A 47 4.517 3.665 -11.981 1.00 0.99 C ATOM 717 O PRO A 47 4.723 4.876 -12.060 1.00 1.09 O ATOM 718 CB PRO A 47 3.467 2.968 -14.182 1.00 1.21 C ATOM 719 CG PRO A 47 2.766 4.233 -14.673 1.00 1.10 C ATOM 720 CD PRO A 47 1.625 4.402 -13.671 1.00 1.00 C ATOM 0 HA PRO A 47 3.184 2.024 -12.255 1.00 1.00 H new ATOM 0 HB2 PRO A 47 4.519 2.956 -14.467 1.00 1.21 H new ATOM 0 HB3 PRO A 47 3.013 2.070 -14.601 1.00 1.21 H new ATOM 0 HG2 PRO A 47 3.436 5.093 -14.671 1.00 1.10 H new ATOM 0 HG3 PRO A 47 2.395 4.120 -15.692 1.00 1.10 H new ATOM 0 HD2 PRO A 47 1.349 5.451 -13.566 1.00 1.00 H new ATOM 0 HD3 PRO A 47 0.733 3.870 -14.001 1.00 1.00 H new ATOM 728 N GLY A 48 5.302 2.851 -11.276 1.00 0.94 N ATOM 729 CA GLY A 48 6.420 3.300 -10.444 1.00 0.94 C ATOM 730 C GLY A 48 6.037 3.824 -9.051 1.00 0.91 C ATOM 731 O GLY A 48 6.934 4.011 -8.225 1.00 1.12 O ATOM 0 H GLY A 48 5.176 1.839 -11.267 1.00 0.94 H new ATOM 0 HA2 GLY A 48 7.116 2.470 -10.322 1.00 0.94 H new ATOM 0 HA3 GLY A 48 6.953 4.088 -10.976 1.00 0.94 H new ATOM 735 N GLY A 49 4.746 4.042 -8.771 1.00 0.77 N ATOM 736 CA GLY A 49 4.233 4.514 -7.477 1.00 0.77 C ATOM 737 C GLY A 49 4.279 3.466 -6.356 1.00 0.76 C ATOM 738 O GLY A 49 4.600 2.299 -6.585 1.00 1.06 O ATOM 0 H GLY A 49 4.007 3.891 -9.458 1.00 0.77 H new ATOM 0 HA2 GLY A 49 4.810 5.385 -7.167 1.00 0.77 H new ATOM 0 HA3 GLY A 49 3.202 4.844 -7.607 1.00 0.77 H new ATOM 742 N LYS A 50 3.918 3.871 -5.135 1.00 0.68 N ATOM 743 CA LYS A 50 3.798 3.006 -3.948 1.00 0.73 C ATOM 744 C LYS A 50 2.344 2.850 -3.495 1.00 0.90 C ATOM 745 O LYS A 50 1.515 3.747 -3.670 1.00 1.23 O ATOM 746 CB LYS A 50 4.653 3.539 -2.783 1.00 0.83 C ATOM 747 CG LYS A 50 6.142 3.711 -3.106 1.00 0.80 C ATOM 748 CD LYS A 50 6.949 3.950 -1.818 1.00 1.26 C ATOM 749 CE LYS A 50 8.449 4.111 -2.105 1.00 1.35 C ATOM 750 NZ LYS A 50 8.907 5.519 -2.069 1.00 1.74 N ATOM 0 H LYS A 50 3.692 4.845 -4.934 1.00 0.68 H new ATOM 0 HA LYS A 50 4.168 2.023 -4.240 1.00 0.73 H new ATOM 0 HB2 LYS A 50 4.251 4.501 -2.466 1.00 0.83 H new ATOM 0 HB3 LYS A 50 4.555 2.858 -1.937 1.00 0.83 H new ATOM 0 HG2 LYS A 50 6.514 2.823 -3.616 1.00 0.80 H new ATOM 0 HG3 LYS A 50 6.278 4.550 -3.788 1.00 0.80 H new ATOM 0 HD2 LYS A 50 6.577 4.844 -1.317 1.00 1.26 H new ATOM 0 HD3 LYS A 50 6.798 3.115 -1.134 1.00 1.26 H new ATOM 0 HE2 LYS A 50 9.015 3.534 -1.374 1.00 1.35 H new ATOM 0 HE3 LYS A 50 8.671 3.689 -3.085 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 9.927 5.558 -2.271 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 8.391 6.070 -2.785 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 8.725 5.919 -1.127 1.00 1.74 H new ATOM 764 N PHE A 51 2.050 1.728 -2.838 1.00 0.81 N ATOM 765 CA PHE A 51 0.773 1.507 -2.145 1.00 0.83 C ATOM 766 C PHE A 51 0.834 2.126 -0.728 1.00 0.82 C ATOM 767 O PHE A 51 1.794 1.838 -0.009 1.00 0.83 O ATOM 768 CB PHE A 51 0.444 0.005 -2.109 1.00 0.83 C ATOM 769 CG PHE A 51 0.361 -0.634 -3.486 1.00 0.76 C ATOM 770 CD1 PHE A 51 -0.833 -0.605 -4.228 1.00 2.04 C ATOM 771 CD2 PHE A 51 1.505 -1.223 -4.051 1.00 2.14 C ATOM 772 CE1 PHE A 51 -0.865 -1.150 -5.526 1.00 1.88 C ATOM 773 CE2 PHE A 51 1.481 -1.738 -5.355 1.00 2.31 C ATOM 774 CZ PHE A 51 0.292 -1.702 -6.099 1.00 0.83 C ATOM 0 H PHE A 51 2.693 0.939 -2.769 1.00 0.81 H new ATOM 0 HA PHE A 51 -0.033 2.002 -2.687 1.00 0.83 H new ATOM 0 HB2 PHE A 51 1.205 -0.511 -1.524 1.00 0.83 H new ATOM 0 HB3 PHE A 51 -0.506 -0.138 -1.594 1.00 0.83 H new ATOM 0 HD1 PHE A 51 -1.724 -0.166 -3.803 1.00 2.04 H new ATOM 0 HD2 PHE A 51 2.415 -1.280 -3.473 1.00 2.14 H new ATOM 0 HE1 PHE A 51 -1.788 -1.143 -6.086 1.00 1.88 H new ATOM 0 HE2 PHE A 51 2.376 -2.162 -5.786 1.00 2.31 H new ATOM 0 HZ PHE A 51 0.267 -2.096 -7.104 1.00 0.83 H new ATOM 784 N PRO A 52 -0.132 2.967 -0.297 1.00 0.80 N ATOM 785 CA PRO A 52 -0.055 3.683 0.988 1.00 0.77 C ATOM 786 C PRO A 52 -0.808 3.022 2.163 1.00 0.76 C ATOM 787 O PRO A 52 -0.590 3.392 3.316 1.00 0.79 O ATOM 788 CB PRO A 52 -0.618 5.073 0.673 1.00 0.77 C ATOM 789 CG PRO A 52 -1.696 4.787 -0.374 1.00 0.76 C ATOM 790 CD PRO A 52 -1.129 3.602 -1.157 1.00 0.80 C ATOM 0 HA PRO A 52 0.974 3.691 1.348 1.00 0.77 H new ATOM 0 HB2 PRO A 52 -1.035 5.549 1.561 1.00 0.77 H new ATOM 0 HB3 PRO A 52 0.152 5.741 0.286 1.00 0.77 H new ATOM 0 HG2 PRO A 52 -2.651 4.541 0.090 1.00 0.76 H new ATOM 0 HG3 PRO A 52 -1.868 5.649 -1.019 1.00 0.76 H new ATOM 0 HD2 PRO A 52 -1.919 2.898 -1.419 1.00 0.80 H new ATOM 0 HD3 PRO A 52 -0.678 3.936 -2.091 1.00 0.80 H new ATOM 798 N VAL A 53 -1.689 2.057 1.887 1.00 0.75 N ATOM 799 CA VAL A 53 -2.565 1.331 2.836 1.00 0.80 C ATOM 800 C VAL A 53 -2.917 -0.034 2.222 1.00 0.89 C ATOM 801 O VAL A 53 -2.685 -0.242 1.030 1.00 0.96 O ATOM 802 CB VAL A 53 -3.859 2.110 3.205 1.00 0.84 C ATOM 803 CG1 VAL A 53 -3.724 2.760 4.587 1.00 0.89 C ATOM 804 CG2 VAL A 53 -4.263 3.205 2.209 1.00 1.03 C ATOM 0 H VAL A 53 -1.826 1.733 0.930 1.00 0.75 H new ATOM 0 HA VAL A 53 -2.018 1.211 3.771 1.00 0.80 H new ATOM 0 HB VAL A 53 -4.642 1.352 3.187 1.00 0.84 H new ATOM 0 HG11 VAL A 53 -4.640 3.300 4.826 1.00 0.89 H new ATOM 0 HG12 VAL A 53 -3.552 1.988 5.337 1.00 0.89 H new ATOM 0 HG13 VAL A 53 -2.884 3.455 4.582 1.00 0.89 H new ATOM 0 HG21 VAL A 53 -5.176 3.691 2.553 1.00 1.03 H new ATOM 0 HG22 VAL A 53 -3.464 3.943 2.136 1.00 1.03 H new ATOM 0 HG23 VAL A 53 -4.436 2.760 1.229 1.00 1.03 H new ATOM 814 N ASP A 54 -3.432 -0.979 3.015 1.00 0.93 N ATOM 815 CA ASP A 54 -3.801 -2.317 2.522 1.00 0.98 C ATOM 816 C ASP A 54 -5.239 -2.423 1.987 1.00 1.01 C ATOM 817 O ASP A 54 -6.137 -1.657 2.355 1.00 1.23 O ATOM 818 CB ASP A 54 -3.488 -3.403 3.561 1.00 1.19 C ATOM 819 CG ASP A 54 -4.363 -3.350 4.814 1.00 1.35 C ATOM 820 OD1 ASP A 54 -5.475 -3.923 4.815 1.00 2.47 O ATOM 821 OD2 ASP A 54 -3.905 -2.804 5.846 1.00 2.05 O ATOM 0 H ASP A 54 -3.605 -0.843 4.011 1.00 0.93 H new ATOM 0 HA ASP A 54 -3.170 -2.490 1.650 1.00 0.98 H new ATOM 0 HB2 ASP A 54 -3.604 -4.381 3.093 1.00 1.19 H new ATOM 0 HB3 ASP A 54 -2.443 -3.314 3.858 1.00 1.19 H new ATOM 826 N GLY A 55 -5.447 -3.394 1.094 1.00 0.89 N ATOM 827 CA GLY A 55 -6.758 -3.671 0.512 1.00 0.91 C ATOM 828 C GLY A 55 -6.702 -4.533 -0.744 1.00 0.77 C ATOM 829 O GLY A 55 -6.034 -5.572 -0.749 1.00 1.06 O ATOM 0 H GLY A 55 -4.708 -4.010 0.755 1.00 0.89 H new ATOM 0 HA2 GLY A 55 -7.378 -4.170 1.257 1.00 0.91 H new ATOM 0 HA3 GLY A 55 -7.246 -2.726 0.272 1.00 0.91 H new ATOM 833 N ARG A 56 -7.402 -4.091 -1.798 1.00 0.76 N ATOM 834 CA ARG A 56 -7.449 -4.767 -3.109 1.00 0.90 C ATOM 835 C ARG A 56 -7.309 -3.828 -4.303 1.00 0.93 C ATOM 836 O ARG A 56 -7.801 -2.704 -4.285 1.00 0.95 O ATOM 837 CB ARG A 56 -8.732 -5.610 -3.296 1.00 1.33 C ATOM 838 CG ARG A 56 -8.806 -6.834 -2.373 1.00 1.03 C ATOM 839 CD ARG A 56 -9.955 -7.800 -2.722 1.00 0.87 C ATOM 840 NE ARG A 56 -11.292 -7.172 -2.699 1.00 1.63 N ATOM 841 CZ ARG A 56 -11.978 -6.769 -1.644 1.00 2.58 C ATOM 842 NH1 ARG A 56 -11.526 -6.886 -0.428 1.00 3.57 N ATOM 843 NH2 ARG A 56 -13.153 -6.233 -1.799 1.00 3.60 N ATOM 0 H ARG A 56 -7.962 -3.239 -1.766 1.00 0.76 H new ATOM 0 HA ARG A 56 -6.577 -5.420 -3.090 1.00 0.90 H new ATOM 0 HB2 ARG A 56 -9.601 -4.977 -3.116 1.00 1.33 H new ATOM 0 HB3 ARG A 56 -8.789 -5.943 -4.332 1.00 1.33 H new ATOM 0 HG2 ARG A 56 -7.860 -7.374 -2.423 1.00 1.03 H new ATOM 0 HG3 ARG A 56 -8.926 -6.496 -1.344 1.00 1.03 H new ATOM 0 HD2 ARG A 56 -9.777 -8.218 -3.713 1.00 0.87 H new ATOM 0 HD3 ARG A 56 -9.943 -8.633 -2.019 1.00 0.87 H new ATOM 0 HE ARG A 56 -11.739 -7.033 -3.605 1.00 1.63 H new ATOM 0 HH11 ARG A 56 -10.610 -7.302 -0.262 1.00 3.57 H new ATOM 0 HH12 ARG A 56 -12.089 -6.562 0.359 1.00 3.57 H new ATOM 0 HH21 ARG A 56 -13.544 -6.124 -2.735 1.00 3.60 H new ATOM 0 HH22 ARG A 56 -13.683 -5.922 -0.985 1.00 3.60 H new ATOM 857 N VAL A 57 -6.671 -4.340 -5.354 1.00 0.98 N ATOM 858 CA VAL A 57 -6.646 -3.772 -6.707 1.00 0.96 C ATOM 859 C VAL A 57 -7.967 -4.180 -7.348 1.00 0.85 C ATOM 860 O VAL A 57 -8.252 -5.375 -7.422 1.00 0.87 O ATOM 861 CB VAL A 57 -5.482 -4.361 -7.538 1.00 0.95 C ATOM 862 CG1 VAL A 57 -5.532 -3.932 -9.012 1.00 0.99 C ATOM 863 CG2 VAL A 57 -4.112 -3.958 -6.986 1.00 1.21 C ATOM 0 H VAL A 57 -6.131 -5.203 -5.285 1.00 0.98 H new ATOM 0 HA VAL A 57 -6.509 -2.691 -6.669 1.00 0.96 H new ATOM 0 HB VAL A 57 -5.610 -5.441 -7.466 1.00 0.95 H new ATOM 0 HG11 VAL A 57 -4.692 -4.374 -9.548 1.00 0.99 H new ATOM 0 HG12 VAL A 57 -6.467 -4.272 -9.458 1.00 0.99 H new ATOM 0 HG13 VAL A 57 -5.473 -2.846 -9.077 1.00 0.99 H new ATOM 0 HG21 VAL A 57 -3.328 -4.396 -7.603 1.00 1.21 H new ATOM 0 HG22 VAL A 57 -4.020 -2.872 -6.999 1.00 1.21 H new ATOM 0 HG23 VAL A 57 -4.012 -4.319 -5.962 1.00 1.21 H new ATOM 873 N ILE A 58 -8.774 -3.227 -7.810 1.00 0.76 N ATOM 874 CA ILE A 58 -10.060 -3.518 -8.477 1.00 0.74 C ATOM 875 C ILE A 58 -10.276 -2.645 -9.722 1.00 0.75 C ATOM 876 O ILE A 58 -11.406 -2.353 -10.124 1.00 0.81 O ATOM 877 CB ILE A 58 -11.234 -3.432 -7.469 1.00 0.77 C ATOM 878 CG1 ILE A 58 -11.127 -2.163 -6.605 1.00 0.80 C ATOM 879 CG2 ILE A 58 -11.275 -4.681 -6.572 1.00 0.85 C ATOM 880 CD1 ILE A 58 -12.445 -1.797 -5.909 1.00 0.88 C ATOM 0 H ILE A 58 -8.564 -2.232 -7.737 1.00 0.76 H new ATOM 0 HA ILE A 58 -10.025 -4.545 -8.841 1.00 0.74 H new ATOM 0 HB ILE A 58 -12.161 -3.382 -8.041 1.00 0.77 H new ATOM 0 HG12 ILE A 58 -10.353 -2.308 -5.851 1.00 0.80 H new ATOM 0 HG13 ILE A 58 -10.810 -1.329 -7.232 1.00 0.80 H new ATOM 0 HG21 ILE A 58 -12.107 -4.599 -5.872 1.00 0.85 H new ATOM 0 HG22 ILE A 58 -11.407 -5.569 -7.190 1.00 0.85 H new ATOM 0 HG23 ILE A 58 -10.340 -4.761 -6.017 1.00 0.85 H new ATOM 0 HD11 ILE A 58 -12.304 -0.894 -5.315 1.00 0.88 H new ATOM 0 HD12 ILE A 58 -13.216 -1.622 -6.659 1.00 0.88 H new ATOM 0 HD13 ILE A 58 -12.752 -2.615 -5.257 1.00 0.88 H new ATOM 892 N GLU A 59 -9.175 -2.330 -10.400 1.00 0.73 N ATOM 893 CA GLU A 59 -9.101 -1.757 -11.738 1.00 0.77 C ATOM 894 C GLU A 59 -7.642 -1.862 -12.213 1.00 0.74 C ATOM 895 O GLU A 59 -6.741 -1.432 -11.489 1.00 0.81 O ATOM 896 CB GLU A 59 -9.548 -0.286 -11.722 1.00 0.82 C ATOM 897 CG GLU A 59 -10.037 0.176 -13.092 1.00 1.11 C ATOM 898 CD GLU A 59 -11.347 -0.512 -13.490 1.00 1.46 C ATOM 899 OE1 GLU A 59 -12.427 -0.128 -12.981 1.00 2.81 O ATOM 900 OE2 GLU A 59 -11.313 -1.446 -14.335 1.00 2.21 O ATOM 0 H GLU A 59 -8.249 -2.479 -10.000 1.00 0.73 H new ATOM 0 HA GLU A 59 -9.763 -2.297 -12.414 1.00 0.77 H new ATOM 0 HB2 GLU A 59 -10.345 -0.157 -10.990 1.00 0.82 H new ATOM 0 HB3 GLU A 59 -8.717 0.342 -11.403 1.00 0.82 H new ATOM 0 HG2 GLU A 59 -10.183 1.256 -13.081 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -9.273 -0.035 -13.841 1.00 1.11 H new ATOM 907 N GLY A 60 -7.400 -2.412 -13.405 1.00 0.65 N ATOM 908 CA GLY A 60 -6.053 -2.560 -13.966 1.00 0.63 C ATOM 909 C GLY A 60 -5.250 -3.762 -13.443 1.00 0.62 C ATOM 910 O GLY A 60 -5.712 -4.577 -12.644 1.00 0.80 O ATOM 0 H GLY A 60 -8.137 -2.770 -14.013 1.00 0.65 H new ATOM 0 HA2 GLY A 60 -6.136 -2.644 -15.050 1.00 0.63 H new ATOM 0 HA3 GLY A 60 -5.489 -1.650 -13.759 1.00 0.63 H new ATOM 914 N HIS A 61 -4.013 -3.863 -13.931 1.00 0.63 N ATOM 915 CA HIS A 61 -3.075 -4.959 -13.652 1.00 0.78 C ATOM 916 C HIS A 61 -1.615 -4.471 -13.683 1.00 0.72 C ATOM 917 O HIS A 61 -1.253 -3.615 -14.490 1.00 0.98 O ATOM 918 CB HIS A 61 -3.321 -6.119 -14.630 1.00 1.13 C ATOM 919 CG HIS A 61 -3.224 -5.759 -16.092 1.00 1.30 C ATOM 920 ND1 HIS A 61 -2.068 -5.649 -16.830 1.00 2.57 N ATOM 921 CD2 HIS A 61 -4.269 -5.533 -16.945 1.00 2.26 C ATOM 922 CE1 HIS A 61 -2.405 -5.346 -18.094 1.00 2.42 C ATOM 923 NE2 HIS A 61 -3.746 -5.278 -18.221 1.00 2.12 N ATOM 0 H HIS A 61 -3.619 -3.159 -14.555 1.00 0.63 H new ATOM 0 HA HIS A 61 -3.254 -5.327 -12.642 1.00 0.78 H new ATOM 0 HB2 HIS A 61 -2.601 -6.910 -14.419 1.00 1.13 H new ATOM 0 HB3 HIS A 61 -4.312 -6.530 -14.439 1.00 1.13 H new ATOM 0 HD2 HIS A 61 -5.316 -5.548 -16.681 1.00 2.26 H new ATOM 0 HE1 HIS A 61 -1.701 -5.180 -18.896 1.00 2.42 H new ATOM 0 HE2 HIS A 61 -4.273 -5.081 -19.072 1.00 2.12 H new ATOM 931 N SER A 62 -0.798 -4.910 -12.724 1.00 0.72 N ATOM 932 CA SER A 62 0.645 -4.598 -12.666 1.00 0.76 C ATOM 933 C SER A 62 1.478 -5.688 -11.986 1.00 0.77 C ATOM 934 O SER A 62 0.924 -6.651 -11.453 1.00 0.82 O ATOM 935 CB SER A 62 0.848 -3.221 -12.023 1.00 0.78 C ATOM 936 OG SER A 62 0.712 -2.233 -13.028 1.00 1.33 O ATOM 0 H SER A 62 -1.116 -5.499 -11.954 1.00 0.72 H new ATOM 0 HA SER A 62 1.018 -4.567 -13.690 1.00 0.76 H new ATOM 0 HB2 SER A 62 0.116 -3.060 -11.232 1.00 0.78 H new ATOM 0 HB3 SER A 62 1.834 -3.160 -11.562 1.00 0.78 H new ATOM 0 HG SER A 62 0.077 -2.543 -13.707 1.00 1.33 H new ATOM 942 N MET A 63 2.803 -5.522 -11.949 1.00 0.79 N ATOM 943 CA MET A 63 3.723 -6.372 -11.183 1.00 0.80 C ATOM 944 C MET A 63 4.367 -5.577 -10.032 1.00 0.77 C ATOM 945 O MET A 63 4.922 -4.492 -10.223 1.00 0.93 O ATOM 946 CB MET A 63 4.717 -7.038 -12.145 1.00 0.97 C ATOM 947 CG MET A 63 5.587 -8.071 -11.424 1.00 1.07 C ATOM 948 SD MET A 63 6.376 -9.312 -12.491 1.00 1.27 S ATOM 949 CE MET A 63 4.962 -10.397 -12.827 1.00 1.12 C ATOM 0 H MET A 63 3.277 -4.778 -12.461 1.00 0.79 H new ATOM 0 HA MET A 63 3.185 -7.183 -10.692 1.00 0.80 H new ATOM 0 HB2 MET A 63 4.172 -7.522 -12.956 1.00 0.97 H new ATOM 0 HB3 MET A 63 5.353 -6.277 -12.598 1.00 0.97 H new ATOM 0 HG2 MET A 63 6.366 -7.543 -10.873 1.00 1.07 H new ATOM 0 HG3 MET A 63 4.971 -8.589 -10.688 1.00 1.07 H new ATOM 0 HE1 MET A 63 5.277 -11.216 -13.473 1.00 1.12 H new ATOM 0 HE2 MET A 63 4.582 -10.801 -11.888 1.00 1.12 H new ATOM 0 HE3 MET A 63 4.176 -9.827 -13.322 1.00 1.12 H new ATOM 959 N VAL A 64 4.263 -6.115 -8.817 1.00 0.66 N ATOM 960 CA VAL A 64 4.577 -5.427 -7.555 1.00 0.59 C ATOM 961 C VAL A 64 5.773 -6.039 -6.830 1.00 0.62 C ATOM 962 O VAL A 64 5.923 -7.255 -6.769 1.00 0.73 O ATOM 963 CB VAL A 64 3.326 -5.382 -6.653 1.00 0.55 C ATOM 964 CG1 VAL A 64 3.588 -4.751 -5.281 1.00 0.53 C ATOM 965 CG2 VAL A 64 2.217 -4.573 -7.341 1.00 0.53 C ATOM 0 H VAL A 64 3.947 -7.074 -8.674 1.00 0.66 H new ATOM 0 HA VAL A 64 4.870 -4.406 -7.800 1.00 0.59 H new ATOM 0 HB VAL A 64 3.030 -6.419 -6.496 1.00 0.55 H new ATOM 0 HG11 VAL A 64 2.667 -4.751 -4.698 1.00 0.53 H new ATOM 0 HG12 VAL A 64 4.350 -5.327 -4.755 1.00 0.53 H new ATOM 0 HG13 VAL A 64 3.934 -3.726 -5.412 1.00 0.53 H new ATOM 0 HG21 VAL A 64 1.336 -4.545 -6.700 1.00 0.53 H new ATOM 0 HG22 VAL A 64 2.567 -3.557 -7.522 1.00 0.53 H new ATOM 0 HG23 VAL A 64 1.960 -5.043 -8.290 1.00 0.53 H new ATOM 975 N ASP A 65 6.607 -5.183 -6.245 1.00 0.57 N ATOM 976 CA ASP A 65 7.775 -5.549 -5.446 1.00 0.61 C ATOM 977 C ASP A 65 7.408 -5.513 -3.949 1.00 0.61 C ATOM 978 O ASP A 65 7.191 -4.435 -3.391 1.00 0.67 O ATOM 979 CB ASP A 65 8.908 -4.578 -5.825 1.00 0.66 C ATOM 980 CG ASP A 65 10.271 -4.979 -5.270 1.00 0.73 C ATOM 981 OD1 ASP A 65 10.661 -6.156 -5.423 1.00 1.95 O ATOM 982 OD2 ASP A 65 10.999 -4.105 -4.743 1.00 1.75 O ATOM 0 H ASP A 65 6.483 -4.173 -6.317 1.00 0.57 H new ATOM 0 HA ASP A 65 8.114 -6.566 -5.646 1.00 0.61 H new ATOM 0 HB2 ASP A 65 8.972 -4.515 -6.911 1.00 0.66 H new ATOM 0 HB3 ASP A 65 8.657 -3.581 -5.462 1.00 0.66 H new ATOM 987 N GLU A 66 7.290 -6.687 -3.314 1.00 0.65 N ATOM 988 CA GLU A 66 6.919 -6.861 -1.892 1.00 0.69 C ATOM 989 C GLU A 66 7.968 -7.669 -1.085 1.00 0.76 C ATOM 990 O GLU A 66 7.646 -8.359 -0.112 1.00 0.89 O ATOM 991 CB GLU A 66 5.443 -7.320 -1.732 1.00 0.96 C ATOM 992 CG GLU A 66 5.024 -8.631 -2.426 1.00 1.08 C ATOM 993 CD GLU A 66 3.554 -9.009 -2.125 1.00 0.98 C ATOM 994 OE1 GLU A 66 2.612 -8.312 -2.586 1.00 1.60 O ATOM 995 OE2 GLU A 66 3.315 -10.015 -1.407 1.00 1.86 O ATOM 0 H GLU A 66 7.455 -7.576 -3.787 1.00 0.65 H new ATOM 0 HA GLU A 66 6.951 -5.880 -1.418 1.00 0.69 H new ATOM 0 HB2 GLU A 66 5.237 -7.423 -0.667 1.00 0.96 H new ATOM 0 HB3 GLU A 66 4.801 -6.522 -2.105 1.00 0.96 H new ATOM 0 HG2 GLU A 66 5.158 -8.529 -3.503 1.00 1.08 H new ATOM 0 HG3 GLU A 66 5.679 -9.438 -2.099 1.00 1.08 H new ATOM 1002 N SER A 67 9.245 -7.569 -1.488 1.00 0.85 N ATOM 1003 CA SER A 67 10.389 -8.324 -0.936 1.00 0.98 C ATOM 1004 C SER A 67 10.681 -8.107 0.559 1.00 1.05 C ATOM 1005 O SER A 67 11.253 -8.991 1.196 1.00 1.19 O ATOM 1006 CB SER A 67 11.666 -8.050 -1.749 1.00 1.16 C ATOM 1007 OG SER A 67 12.184 -6.734 -1.565 1.00 1.51 O ATOM 0 H SER A 67 9.523 -6.935 -2.237 1.00 0.85 H new ATOM 0 HA SER A 67 10.081 -9.366 -1.023 1.00 0.98 H new ATOM 0 HB2 SER A 67 12.429 -8.775 -1.468 1.00 1.16 H new ATOM 0 HB3 SER A 67 11.454 -8.204 -2.807 1.00 1.16 H new ATOM 0 HG SER A 67 12.994 -6.623 -2.105 1.00 1.51 H new ATOM 1013 N LEU A 68 10.279 -6.975 1.143 1.00 1.07 N ATOM 1014 CA LEU A 68 10.481 -6.637 2.560 1.00 1.14 C ATOM 1015 C LEU A 68 9.246 -6.999 3.404 1.00 1.16 C ATOM 1016 O LEU A 68 9.372 -7.429 4.550 1.00 1.32 O ATOM 1017 CB LEU A 68 10.839 -5.131 2.607 1.00 1.14 C ATOM 1018 CG LEU A 68 11.448 -4.514 3.882 1.00 1.11 C ATOM 1019 CD1 LEU A 68 10.513 -4.473 5.091 1.00 1.21 C ATOM 1020 CD2 LEU A 68 12.758 -5.182 4.297 1.00 0.96 C ATOM 0 H LEU A 68 9.788 -6.243 0.629 1.00 1.07 H new ATOM 0 HA LEU A 68 11.292 -7.218 3.000 1.00 1.14 H new ATOM 0 HB2 LEU A 68 11.537 -4.940 1.792 1.00 1.14 H new ATOM 0 HB3 LEU A 68 9.928 -4.576 2.384 1.00 1.14 H new ATOM 0 HG LEU A 68 11.638 -3.483 3.583 1.00 1.11 H new ATOM 0 HD11 LEU A 68 11.032 -4.022 5.937 1.00 1.21 H new ATOM 0 HD12 LEU A 68 9.631 -3.880 4.849 1.00 1.21 H new ATOM 0 HD13 LEU A 68 10.209 -5.487 5.350 1.00 1.21 H new ATOM 0 HD21 LEU A 68 13.139 -4.706 5.200 1.00 0.96 H new ATOM 0 HD22 LEU A 68 12.581 -6.240 4.492 1.00 0.96 H new ATOM 0 HD23 LEU A 68 13.489 -5.078 3.496 1.00 0.96 H new ATOM 1032 N ILE A 69 8.044 -6.882 2.829 1.00 1.06 N ATOM 1033 CA ILE A 69 6.788 -7.221 3.520 1.00 1.08 C ATOM 1034 C ILE A 69 6.597 -8.742 3.579 1.00 1.07 C ATOM 1035 O ILE A 69 6.327 -9.304 4.643 1.00 1.23 O ATOM 1036 CB ILE A 69 5.558 -6.555 2.853 1.00 1.06 C ATOM 1037 CG1 ILE A 69 5.791 -5.092 2.393 1.00 1.03 C ATOM 1038 CG2 ILE A 69 4.370 -6.608 3.831 1.00 1.10 C ATOM 1039 CD1 ILE A 69 6.111 -4.090 3.512 1.00 0.94 C ATOM 0 H ILE A 69 7.911 -6.551 1.874 1.00 1.06 H new ATOM 0 HA ILE A 69 6.865 -6.830 4.535 1.00 1.08 H new ATOM 0 HB ILE A 69 5.354 -7.121 1.944 1.00 1.06 H new ATOM 0 HG12 ILE A 69 6.611 -5.082 1.675 1.00 1.03 H new ATOM 0 HG13 ILE A 69 4.901 -4.749 1.866 1.00 1.03 H new ATOM 0 HG21 ILE A 69 3.499 -6.142 3.371 1.00 1.10 H new ATOM 0 HG22 ILE A 69 4.142 -7.647 4.070 1.00 1.10 H new ATOM 0 HG23 ILE A 69 4.627 -6.073 4.745 1.00 1.10 H new ATOM 0 HD11 ILE A 69 6.256 -3.099 3.082 1.00 0.94 H new ATOM 0 HD12 ILE A 69 5.284 -4.061 4.222 1.00 0.94 H new ATOM 0 HD13 ILE A 69 7.021 -4.398 4.027 1.00 0.94 H new ATOM 1051 N THR A 70 6.753 -9.409 2.435 1.00 0.96 N ATOM 1052 CA THR A 70 6.395 -10.824 2.238 1.00 1.01 C ATOM 1053 C THR A 70 7.616 -11.753 2.152 1.00 1.08 C ATOM 1054 O THR A 70 7.503 -12.957 2.400 1.00 1.21 O ATOM 1055 CB THR A 70 5.517 -10.928 0.978 1.00 0.91 C ATOM 1056 OG1 THR A 70 4.536 -9.911 0.961 1.00 2.20 O ATOM 1057 CG2 THR A 70 4.711 -12.214 0.938 1.00 2.15 C ATOM 0 H THR A 70 7.140 -8.975 1.597 1.00 0.96 H new ATOM 0 HA THR A 70 5.843 -11.165 3.114 1.00 1.01 H new ATOM 0 HB THR A 70 6.216 -10.864 0.144 1.00 0.91 H new ATOM 0 HG1 THR A 70 4.005 -9.982 0.140 1.00 2.20 H new ATOM 0 HG21 THR A 70 4.109 -12.238 0.030 1.00 2.15 H new ATOM 0 HG22 THR A 70 5.388 -13.068 0.947 1.00 2.15 H new ATOM 0 HG23 THR A 70 4.056 -12.260 1.808 1.00 2.15 H new ATOM 1065 N GLY A 71 8.788 -11.203 1.821 1.00 1.06 N ATOM 1066 CA GLY A 71 10.088 -11.889 1.831 1.00 1.15 C ATOM 1067 C GLY A 71 10.493 -12.571 0.517 1.00 1.11 C ATOM 1068 O GLY A 71 11.661 -12.923 0.344 1.00 1.22 O ATOM 0 H GLY A 71 8.862 -10.229 1.527 1.00 1.06 H new ATOM 0 HA2 GLY A 71 10.858 -11.164 2.095 1.00 1.15 H new ATOM 0 HA3 GLY A 71 10.075 -12.641 2.620 1.00 1.15 H new ATOM 1072 N GLU A 72 9.561 -12.742 -0.426 1.00 1.20 N ATOM 1073 CA GLU A 72 9.843 -13.275 -1.766 1.00 1.15 C ATOM 1074 C GLU A 72 10.779 -12.320 -2.533 1.00 1.10 C ATOM 1075 O GLU A 72 10.406 -11.181 -2.825 1.00 2.40 O ATOM 1076 CB GLU A 72 8.536 -13.468 -2.567 1.00 1.51 C ATOM 1077 CG GLU A 72 7.493 -14.418 -1.954 1.00 1.85 C ATOM 1078 CD GLU A 72 7.875 -15.902 -2.056 1.00 2.13 C ATOM 1079 OE1 GLU A 72 8.795 -16.361 -1.338 1.00 3.10 O ATOM 1080 OE2 GLU A 72 7.217 -16.655 -2.812 1.00 2.29 O ATOM 0 H GLU A 72 8.578 -12.512 -0.280 1.00 1.20 H new ATOM 0 HA GLU A 72 10.329 -14.243 -1.648 1.00 1.15 H new ATOM 0 HB2 GLU A 72 8.071 -12.492 -2.703 1.00 1.51 H new ATOM 0 HB3 GLU A 72 8.795 -13.839 -3.559 1.00 1.51 H new ATOM 0 HG2 GLU A 72 7.351 -14.160 -0.905 1.00 1.85 H new ATOM 0 HG3 GLU A 72 6.536 -14.263 -2.452 1.00 1.85 H new ATOM 1087 N ALA A 73 11.975 -12.783 -2.911 1.00 1.48 N ATOM 1088 CA ALA A 73 13.000 -12.003 -3.623 1.00 1.32 C ATOM 1089 C ALA A 73 12.727 -11.898 -5.140 1.00 1.12 C ATOM 1090 O ALA A 73 13.635 -11.954 -5.974 1.00 1.34 O ATOM 1091 CB ALA A 73 14.373 -12.594 -3.292 1.00 1.54 C ATOM 0 H ALA A 73 12.269 -13.742 -2.725 1.00 1.48 H new ATOM 0 HA ALA A 73 12.971 -10.969 -3.279 1.00 1.32 H new ATOM 0 HB1 ALA A 73 15.147 -12.029 -3.811 1.00 1.54 H new ATOM 0 HB2 ALA A 73 14.543 -12.539 -2.217 1.00 1.54 H new ATOM 0 HB3 ALA A 73 14.408 -13.635 -3.612 1.00 1.54 H new ATOM 1097 N MET A 74 11.448 -11.820 -5.499 1.00 1.05 N ATOM 1098 CA MET A 74 10.931 -11.824 -6.862 1.00 1.01 C ATOM 1099 C MET A 74 9.570 -11.098 -6.919 1.00 0.94 C ATOM 1100 O MET A 74 8.742 -11.307 -6.025 1.00 1.02 O ATOM 1101 CB MET A 74 10.830 -13.272 -7.366 1.00 1.16 C ATOM 1102 CG MET A 74 10.033 -14.218 -6.450 1.00 2.52 C ATOM 1103 SD MET A 74 9.910 -15.924 -7.050 1.00 3.01 S ATOM 1104 CE MET A 74 11.587 -16.516 -6.697 1.00 4.04 C ATOM 0 H MET A 74 10.703 -11.748 -4.806 1.00 1.05 H new ATOM 0 HA MET A 74 11.613 -11.284 -7.518 1.00 1.01 H new ATOM 0 HB2 MET A 74 10.366 -13.267 -8.352 1.00 1.16 H new ATOM 0 HB3 MET A 74 11.837 -13.671 -7.489 1.00 1.16 H new ATOM 0 HG2 MET A 74 10.499 -14.226 -5.465 1.00 2.52 H new ATOM 0 HG3 MET A 74 9.027 -13.818 -6.324 1.00 2.52 H new ATOM 0 HE1 MET A 74 11.663 -17.571 -6.959 1.00 4.04 H new ATOM 0 HE2 MET A 74 12.306 -15.944 -7.283 1.00 4.04 H new ATOM 0 HE3 MET A 74 11.802 -16.389 -5.636 1.00 4.04 H new ATOM 1114 N PRO A 75 9.303 -10.246 -7.927 1.00 0.92 N ATOM 1115 CA PRO A 75 8.038 -9.513 -8.035 1.00 0.92 C ATOM 1116 C PRO A 75 6.783 -10.392 -8.216 1.00 0.92 C ATOM 1117 O PRO A 75 6.842 -11.515 -8.728 1.00 1.02 O ATOM 1118 CB PRO A 75 8.228 -8.545 -9.202 1.00 1.06 C ATOM 1119 CG PRO A 75 9.731 -8.301 -9.225 1.00 1.58 C ATOM 1120 CD PRO A 75 10.286 -9.668 -8.838 1.00 1.13 C ATOM 0 HA PRO A 75 7.835 -9.004 -7.093 1.00 0.92 H new ATOM 0 HB2 PRO A 75 7.877 -8.975 -10.140 1.00 1.06 H new ATOM 0 HB3 PRO A 75 7.674 -7.619 -9.049 1.00 1.06 H new ATOM 0 HG2 PRO A 75 10.077 -7.985 -10.209 1.00 1.58 H new ATOM 0 HG3 PRO A 75 10.028 -7.526 -8.519 1.00 1.58 H new ATOM 0 HD2 PRO A 75 10.424 -10.298 -9.717 1.00 1.13 H new ATOM 0 HD3 PRO A 75 11.259 -9.574 -8.356 1.00 1.13 H new ATOM 1128 N VAL A 76 5.626 -9.862 -7.810 1.00 0.85 N ATOM 1129 CA VAL A 76 4.336 -10.571 -7.707 1.00 0.87 C ATOM 1130 C VAL A 76 3.259 -9.880 -8.552 1.00 0.86 C ATOM 1131 O VAL A 76 3.090 -8.662 -8.485 1.00 0.82 O ATOM 1132 CB VAL A 76 3.896 -10.672 -6.229 1.00 0.91 C ATOM 1133 CG1 VAL A 76 2.631 -11.524 -6.080 1.00 0.99 C ATOM 1134 CG2 VAL A 76 4.981 -11.300 -5.341 1.00 0.92 C ATOM 0 H VAL A 76 5.554 -8.884 -7.530 1.00 0.85 H new ATOM 0 HA VAL A 76 4.467 -11.580 -8.098 1.00 0.87 H new ATOM 0 HB VAL A 76 3.707 -9.647 -5.909 1.00 0.91 H new ATOM 0 HG11 VAL A 76 2.348 -11.575 -5.029 1.00 0.99 H new ATOM 0 HG12 VAL A 76 1.820 -11.074 -6.652 1.00 0.99 H new ATOM 0 HG13 VAL A 76 2.824 -12.530 -6.453 1.00 0.99 H new ATOM 0 HG21 VAL A 76 4.625 -11.350 -4.312 1.00 0.92 H new ATOM 0 HG22 VAL A 76 5.205 -12.306 -5.696 1.00 0.92 H new ATOM 0 HG23 VAL A 76 5.884 -10.691 -5.384 1.00 0.92 H new ATOM 1144 N ALA A 77 2.513 -10.642 -9.351 1.00 0.91 N ATOM 1145 CA ALA A 77 1.510 -10.112 -10.274 1.00 0.87 C ATOM 1146 C ALA A 77 0.177 -9.754 -9.586 1.00 0.75 C ATOM 1147 O ALA A 77 -0.317 -10.467 -8.705 1.00 0.83 O ATOM 1148 CB ALA A 77 1.304 -11.111 -11.415 1.00 1.01 C ATOM 0 H ALA A 77 2.589 -11.659 -9.376 1.00 0.91 H new ATOM 0 HA ALA A 77 1.887 -9.170 -10.673 1.00 0.87 H new ATOM 0 HB1 ALA A 77 0.557 -10.723 -12.108 1.00 1.01 H new ATOM 0 HB2 ALA A 77 2.246 -11.260 -11.943 1.00 1.01 H new ATOM 0 HB3 ALA A 77 0.962 -12.063 -11.008 1.00 1.01 H new ATOM 1154 N LYS A 78 -0.437 -8.657 -10.037 1.00 0.63 N ATOM 1155 CA LYS A 78 -1.740 -8.138 -9.594 1.00 0.54 C ATOM 1156 C LYS A 78 -2.687 -7.961 -10.791 1.00 0.61 C ATOM 1157 O LYS A 78 -2.242 -7.684 -11.906 1.00 0.76 O ATOM 1158 CB LYS A 78 -1.556 -6.809 -8.832 1.00 0.50 C ATOM 1159 CG LYS A 78 -0.490 -6.789 -7.716 1.00 0.47 C ATOM 1160 CD LYS A 78 -0.793 -7.671 -6.491 1.00 0.52 C ATOM 1161 CE LYS A 78 0.389 -7.637 -5.506 1.00 0.58 C ATOM 1162 NZ LYS A 78 0.146 -8.466 -4.300 1.00 0.69 N ATOM 0 H LYS A 78 -0.018 -8.073 -10.761 1.00 0.63 H new ATOM 0 HA LYS A 78 -2.191 -8.861 -8.914 1.00 0.54 H new ATOM 0 HB2 LYS A 78 -1.304 -6.034 -9.556 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -2.514 -6.534 -8.391 1.00 0.50 H new ATOM 0 HG2 LYS A 78 0.462 -7.105 -8.142 1.00 0.47 H new ATOM 0 HG3 LYS A 78 -0.363 -5.761 -7.378 1.00 0.47 H new ATOM 0 HD2 LYS A 78 -1.698 -7.320 -5.996 1.00 0.52 H new ATOM 0 HD3 LYS A 78 -0.981 -8.696 -6.810 1.00 0.52 H new ATOM 0 HE2 LYS A 78 1.289 -7.990 -6.010 1.00 0.58 H new ATOM 0 HE3 LYS A 78 0.576 -6.607 -5.203 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 0.932 -8.343 -3.630 1.00 0.69 H new ATOM 0 HZ2 LYS A 78 -0.743 -8.170 -3.848 1.00 0.69 H new ATOM 0 HZ3 LYS A 78 0.078 -9.467 -4.575 1.00 0.69 H new ATOM 1176 N LYS A 79 -3.988 -8.096 -10.534 1.00 0.56 N ATOM 1177 CA LYS A 79 -5.145 -7.997 -11.449 1.00 0.61 C ATOM 1178 C LYS A 79 -6.362 -7.485 -10.644 1.00 0.56 C ATOM 1179 O LYS A 79 -6.244 -7.392 -9.419 1.00 0.54 O ATOM 1180 CB LYS A 79 -5.397 -9.402 -12.053 1.00 0.75 C ATOM 1181 CG LYS A 79 -4.801 -9.528 -13.466 1.00 2.40 C ATOM 1182 CD LYS A 79 -4.779 -10.968 -13.998 1.00 2.57 C ATOM 1183 CE LYS A 79 -6.171 -11.603 -14.097 1.00 2.03 C ATOM 1184 NZ LYS A 79 -6.086 -13.022 -14.515 1.00 2.35 N ATOM 0 H LYS A 79 -4.299 -8.298 -9.584 1.00 0.56 H new ATOM 0 HA LYS A 79 -4.963 -7.298 -12.265 1.00 0.61 H new ATOM 0 HB2 LYS A 79 -4.960 -10.161 -11.404 1.00 0.75 H new ATOM 0 HB3 LYS A 79 -6.469 -9.595 -12.091 1.00 0.75 H new ATOM 0 HG2 LYS A 79 -5.377 -8.905 -14.151 1.00 2.40 H new ATOM 0 HG3 LYS A 79 -3.784 -9.137 -13.458 1.00 2.40 H new ATOM 0 HD2 LYS A 79 -4.313 -10.976 -14.984 1.00 2.57 H new ATOM 0 HD3 LYS A 79 -4.155 -11.579 -13.346 1.00 2.57 H new ATOM 0 HE2 LYS A 79 -6.674 -11.535 -13.132 1.00 2.03 H new ATOM 0 HE3 LYS A 79 -6.777 -11.047 -14.812 1.00 2.03 H new ATOM 0 HZ1 LYS A 79 -7.043 -13.425 -14.573 1.00 2.35 H new ATOM 0 HZ2 LYS A 79 -5.628 -13.083 -15.447 1.00 2.35 H new ATOM 0 HZ3 LYS A 79 -5.527 -13.556 -13.819 1.00 2.35 H new ATOM 1198 N PRO A 80 -7.530 -7.181 -11.243 1.00 0.58 N ATOM 1199 CA PRO A 80 -8.735 -6.896 -10.460 1.00 0.60 C ATOM 1200 C PRO A 80 -9.079 -8.058 -9.505 1.00 0.63 C ATOM 1201 O PRO A 80 -8.982 -9.237 -9.863 1.00 0.80 O ATOM 1202 CB PRO A 80 -9.845 -6.617 -11.480 1.00 0.67 C ATOM 1203 CG PRO A 80 -9.361 -7.336 -12.738 1.00 0.75 C ATOM 1204 CD PRO A 80 -7.846 -7.160 -12.666 1.00 0.66 C ATOM 0 HA PRO A 80 -8.595 -6.035 -9.807 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -10.807 -7.003 -11.142 1.00 0.67 H new ATOM 0 HB3 PRO A 80 -9.973 -5.548 -11.652 1.00 0.67 H new ATOM 0 HG2 PRO A 80 -9.647 -8.388 -12.738 1.00 0.75 H new ATOM 0 HG3 PRO A 80 -9.777 -6.893 -13.643 1.00 0.75 H new ATOM 0 HD2 PRO A 80 -7.330 -7.960 -13.196 1.00 0.66 H new ATOM 0 HD3 PRO A 80 -7.536 -6.221 -13.125 1.00 0.66 H new ATOM 1212 N GLY A 81 -9.446 -7.728 -8.266 1.00 0.65 N ATOM 1213 CA GLY A 81 -9.639 -8.685 -7.172 1.00 0.75 C ATOM 1214 C GLY A 81 -8.337 -9.274 -6.604 1.00 0.66 C ATOM 1215 O GLY A 81 -8.373 -10.387 -6.073 1.00 0.89 O ATOM 0 H GLY A 81 -9.622 -6.763 -7.987 1.00 0.65 H new ATOM 0 HA2 GLY A 81 -10.182 -8.192 -6.366 1.00 0.75 H new ATOM 0 HA3 GLY A 81 -10.268 -9.501 -7.527 1.00 0.75 H new ATOM 1219 N SER A 82 -7.201 -8.569 -6.709 1.00 0.54 N ATOM 1220 CA SER A 82 -5.915 -8.984 -6.098 1.00 0.46 C ATOM 1221 C SER A 82 -5.646 -8.190 -4.824 1.00 0.46 C ATOM 1222 O SER A 82 -5.988 -7.010 -4.787 1.00 0.67 O ATOM 1223 CB SER A 82 -4.716 -8.762 -7.029 1.00 0.44 C ATOM 1224 OG SER A 82 -4.627 -9.717 -8.069 1.00 1.45 O ATOM 0 H SER A 82 -7.141 -7.689 -7.221 1.00 0.54 H new ATOM 0 HA SER A 82 -6.017 -10.049 -5.891 1.00 0.46 H new ATOM 0 HB2 SER A 82 -4.784 -7.766 -7.466 1.00 0.44 H new ATOM 0 HB3 SER A 82 -3.799 -8.790 -6.441 1.00 0.44 H new ATOM 0 HG SER A 82 -3.775 -10.196 -8.001 1.00 1.45 H new ATOM 1230 N THR A 83 -4.995 -8.758 -3.802 1.00 0.54 N ATOM 1231 CA THR A 83 -4.686 -8.011 -2.565 1.00 0.54 C ATOM 1232 C THR A 83 -3.348 -7.275 -2.626 1.00 0.54 C ATOM 1233 O THR A 83 -2.418 -7.689 -3.324 1.00 0.56 O ATOM 1234 CB THR A 83 -4.749 -8.877 -1.299 1.00 0.59 C ATOM 1235 OG1 THR A 83 -3.736 -9.855 -1.282 1.00 0.74 O ATOM 1236 CG2 THR A 83 -6.099 -9.567 -1.128 1.00 0.80 C ATOM 0 H THR A 83 -4.672 -9.725 -3.801 1.00 0.54 H new ATOM 0 HA THR A 83 -5.479 -7.266 -2.499 1.00 0.54 H new ATOM 0 HB THR A 83 -4.602 -8.186 -0.469 1.00 0.59 H new ATOM 0 HG1 THR A 83 -3.807 -10.385 -0.461 1.00 0.74 H new ATOM 0 HG21 THR A 83 -6.089 -10.166 -0.217 1.00 0.80 H new ATOM 0 HG22 THR A 83 -6.886 -8.816 -1.059 1.00 0.80 H new ATOM 0 HG23 THR A 83 -6.289 -10.213 -1.985 1.00 0.80 H new ATOM 1244 N VAL A 84 -3.249 -6.170 -1.880 1.00 0.57 N ATOM 1245 CA VAL A 84 -2.028 -5.355 -1.731 1.00 0.60 C ATOM 1246 C VAL A 84 -1.816 -4.898 -0.285 1.00 0.66 C ATOM 1247 O VAL A 84 -2.765 -4.818 0.502 1.00 0.70 O ATOM 1248 CB VAL A 84 -2.016 -4.138 -2.685 1.00 0.61 C ATOM 1249 CG1 VAL A 84 -1.817 -4.577 -4.139 1.00 0.55 C ATOM 1250 CG2 VAL A 84 -3.289 -3.282 -2.593 1.00 0.66 C ATOM 0 H VAL A 84 -4.036 -5.803 -1.346 1.00 0.57 H new ATOM 0 HA VAL A 84 -1.198 -6.005 -2.007 1.00 0.60 H new ATOM 0 HB VAL A 84 -1.176 -3.524 -2.361 1.00 0.61 H new ATOM 0 HG11 VAL A 84 -1.813 -3.700 -4.786 1.00 0.55 H new ATOM 0 HG12 VAL A 84 -0.867 -5.102 -4.234 1.00 0.55 H new ATOM 0 HG13 VAL A 84 -2.630 -5.241 -4.433 1.00 0.55 H new ATOM 0 HG21 VAL A 84 -3.216 -2.445 -3.288 1.00 0.66 H new ATOM 0 HG22 VAL A 84 -4.156 -3.891 -2.849 1.00 0.66 H new ATOM 0 HG23 VAL A 84 -3.399 -2.902 -1.577 1.00 0.66 H new ATOM 1260 N ILE A 85 -0.562 -4.587 0.048 1.00 0.71 N ATOM 1261 CA ILE A 85 -0.084 -4.100 1.354 1.00 0.75 C ATOM 1262 C ILE A 85 0.799 -2.855 1.195 1.00 0.68 C ATOM 1263 O ILE A 85 1.481 -2.673 0.181 1.00 0.91 O ATOM 1264 CB ILE A 85 0.658 -5.189 2.183 1.00 0.88 C ATOM 1265 CG1 ILE A 85 1.214 -6.402 1.402 1.00 1.30 C ATOM 1266 CG2 ILE A 85 -0.262 -5.705 3.295 1.00 1.25 C ATOM 1267 CD1 ILE A 85 2.298 -6.026 0.390 1.00 0.94 C ATOM 0 H ILE A 85 0.199 -4.672 -0.626 1.00 0.71 H new ATOM 0 HA ILE A 85 -0.978 -3.831 1.916 1.00 0.75 H new ATOM 0 HB ILE A 85 1.538 -4.672 2.566 1.00 0.88 H new ATOM 0 HG12 ILE A 85 1.622 -7.124 2.109 1.00 1.30 H new ATOM 0 HG13 ILE A 85 0.394 -6.895 0.879 1.00 1.30 H new ATOM 0 HG21 ILE A 85 0.259 -6.467 3.874 1.00 1.25 H new ATOM 0 HG22 ILE A 85 -0.540 -4.879 3.950 1.00 1.25 H new ATOM 0 HG23 ILE A 85 -1.160 -6.136 2.853 1.00 1.25 H new ATOM 0 HD11 ILE A 85 2.644 -6.923 -0.123 1.00 0.94 H new ATOM 0 HD12 ILE A 85 1.888 -5.327 -0.339 1.00 0.94 H new ATOM 0 HD13 ILE A 85 3.135 -5.559 0.910 1.00 0.94 H new ATOM 1279 N ALA A 86 0.779 -1.995 2.216 1.00 0.60 N ATOM 1280 CA ALA A 86 1.465 -0.706 2.209 1.00 0.58 C ATOM 1281 C ALA A 86 2.999 -0.831 2.113 1.00 0.57 C ATOM 1282 O ALA A 86 3.592 -1.792 2.599 1.00 0.61 O ATOM 1283 CB ALA A 86 1.039 0.076 3.456 1.00 0.66 C ATOM 0 H ALA A 86 0.277 -2.180 3.084 1.00 0.60 H new ATOM 0 HA ALA A 86 1.171 -0.166 1.309 1.00 0.58 H new ATOM 0 HB1 ALA A 86 1.542 1.043 3.468 1.00 0.66 H new ATOM 0 HB2 ALA A 86 -0.040 0.228 3.439 1.00 0.66 H new ATOM 0 HB3 ALA A 86 1.312 -0.486 4.349 1.00 0.66 H new ATOM 1289 N GLY A 87 3.641 0.150 1.477 1.00 0.56 N ATOM 1290 CA GLY A 87 5.098 0.212 1.306 1.00 0.60 C ATOM 1291 C GLY A 87 5.663 -0.689 0.198 1.00 0.63 C ATOM 1292 O GLY A 87 6.861 -0.619 -0.076 1.00 0.76 O ATOM 0 H GLY A 87 3.154 0.942 1.056 1.00 0.56 H new ATOM 0 HA2 GLY A 87 5.380 1.243 1.093 1.00 0.60 H new ATOM 0 HA3 GLY A 87 5.571 -0.059 2.250 1.00 0.60 H new ATOM 1296 N SER A 88 4.829 -1.498 -0.468 1.00 0.60 N ATOM 1297 CA SER A 88 5.214 -2.230 -1.686 1.00 0.63 C ATOM 1298 C SER A 88 5.172 -1.310 -2.922 1.00 0.58 C ATOM 1299 O SER A 88 4.503 -0.267 -2.902 1.00 0.55 O ATOM 1300 CB SER A 88 4.405 -3.528 -1.840 1.00 0.69 C ATOM 1301 OG SER A 88 3.009 -3.337 -2.001 1.00 1.43 O ATOM 0 H SER A 88 3.865 -1.665 -0.178 1.00 0.60 H new ATOM 0 HA SER A 88 6.252 -2.548 -1.591 1.00 0.63 H new ATOM 0 HB2 SER A 88 4.785 -4.078 -2.701 1.00 0.69 H new ATOM 0 HB3 SER A 88 4.574 -4.153 -0.963 1.00 0.69 H new ATOM 0 HG SER A 88 2.611 -3.092 -1.140 1.00 1.43 H new ATOM 1307 N ILE A 89 5.913 -1.657 -3.985 1.00 0.60 N ATOM 1308 CA ILE A 89 6.165 -0.758 -5.137 1.00 0.57 C ATOM 1309 C ILE A 89 5.546 -1.283 -6.445 1.00 0.52 C ATOM 1310 O ILE A 89 5.763 -2.436 -6.822 1.00 0.54 O ATOM 1311 CB ILE A 89 7.680 -0.487 -5.328 1.00 0.65 C ATOM 1312 CG1 ILE A 89 8.559 -0.521 -4.052 1.00 0.76 C ATOM 1313 CG2 ILE A 89 7.866 0.852 -6.068 1.00 0.67 C ATOM 1314 CD1 ILE A 89 8.283 0.564 -3.005 1.00 0.81 C ATOM 0 H ILE A 89 6.359 -2.570 -4.077 1.00 0.60 H new ATOM 0 HA ILE A 89 5.671 0.184 -4.898 1.00 0.57 H new ATOM 0 HB ILE A 89 8.043 -1.331 -5.914 1.00 0.65 H new ATOM 0 HG12 ILE A 89 8.434 -1.494 -3.577 1.00 0.76 H new ATOM 0 HG13 ILE A 89 9.603 -0.446 -4.355 1.00 0.76 H new ATOM 0 HG21 ILE A 89 8.930 1.047 -6.205 1.00 0.67 H new ATOM 0 HG22 ILE A 89 7.378 0.801 -7.041 1.00 0.67 H new ATOM 0 HG23 ILE A 89 7.422 1.656 -5.482 1.00 0.67 H new ATOM 0 HD11 ILE A 89 8.960 0.435 -2.160 1.00 0.81 H new ATOM 0 HD12 ILE A 89 8.440 1.547 -3.449 1.00 0.81 H new ATOM 0 HD13 ILE A 89 7.252 0.483 -2.660 1.00 0.81 H new ATOM 1326 N ASN A 90 4.806 -0.439 -7.169 1.00 0.54 N ATOM 1327 CA ASN A 90 4.069 -0.774 -8.394 1.00 0.57 C ATOM 1328 C ASN A 90 4.893 -0.582 -9.685 1.00 0.71 C ATOM 1329 O ASN A 90 5.715 0.333 -9.768 1.00 0.84 O ATOM 1330 CB ASN A 90 2.790 0.086 -8.439 1.00 0.58 C ATOM 1331 CG ASN A 90 1.842 -0.391 -9.516 1.00 0.83 C ATOM 1332 OD1 ASN A 90 1.561 -1.573 -9.611 1.00 1.66 O ATOM 1333 ND2 ASN A 90 1.369 0.487 -10.364 1.00 0.52 N ATOM 0 H ASN A 90 4.698 0.541 -6.907 1.00 0.54 H new ATOM 0 HA ASN A 90 3.828 -1.836 -8.357 1.00 0.57 H new ATOM 0 HB2 ASN A 90 2.291 0.049 -7.471 1.00 0.58 H new ATOM 0 HB3 ASN A 90 3.056 1.127 -8.621 1.00 0.58 H new ATOM 0 HD21 ASN A 90 0.754 0.186 -11.120 1.00 0.52 H new ATOM 0 HD22 ASN A 90 1.615 1.472 -10.269 1.00 0.52 H new ATOM 1340 N GLN A 91 4.629 -1.383 -10.726 1.00 0.81 N ATOM 1341 CA GLN A 91 5.194 -1.210 -12.070 1.00 0.99 C ATOM 1342 C GLN A 91 4.341 -1.887 -13.164 1.00 1.68 C ATOM 1343 O GLN A 91 3.847 -2.988 -12.929 1.00 3.27 O ATOM 1344 CB GLN A 91 6.630 -1.783 -12.079 1.00 1.03 C ATOM 1345 CG GLN A 91 7.465 -1.342 -13.287 1.00 1.48 C ATOM 1346 CD GLN A 91 7.438 0.171 -13.451 1.00 2.37 C ATOM 1347 OE1 GLN A 91 6.698 0.708 -14.263 1.00 4.07 O ATOM 1348 NE2 GLN A 91 8.134 0.917 -12.629 1.00 2.38 N ATOM 0 H GLN A 91 4.004 -2.186 -10.655 1.00 0.81 H new ATOM 0 HA GLN A 91 5.204 -0.145 -12.301 1.00 0.99 H new ATOM 0 HB2 GLN A 91 7.139 -1.476 -11.166 1.00 1.03 H new ATOM 0 HB3 GLN A 91 6.577 -2.872 -12.064 1.00 1.03 H new ATOM 0 HG2 GLN A 91 8.494 -1.679 -13.164 1.00 1.48 H new ATOM 0 HG3 GLN A 91 7.081 -1.815 -14.191 1.00 1.48 H new ATOM 0 HE21 GLN A 91 8.755 0.482 -11.947 1.00 2.38 H new ATOM 0 HE22 GLN A 91 8.055 1.933 -12.671 1.00 2.38 H new ATOM 1357 N ASN A 92 4.236 -1.254 -14.351 1.00 1.06 N ATOM 1358 CA ASN A 92 3.573 -1.655 -15.622 1.00 1.61 C ATOM 1359 C ASN A 92 2.418 -0.713 -16.040 1.00 1.38 C ATOM 1360 O ASN A 92 2.342 -0.354 -17.219 1.00 2.45 O ATOM 1361 CB ASN A 92 3.181 -3.145 -15.674 1.00 2.37 C ATOM 1362 CG ASN A 92 2.770 -3.650 -17.046 1.00 3.07 C ATOM 1363 OD1 ASN A 92 3.573 -4.190 -17.797 1.00 4.11 O ATOM 1364 ND2 ASN A 92 1.516 -3.544 -17.413 1.00 2.86 N ATOM 0 H ASN A 92 4.665 -0.335 -14.460 1.00 1.06 H new ATOM 0 HA ASN A 92 4.342 -1.532 -16.384 1.00 1.61 H new ATOM 0 HB2 ASN A 92 4.023 -3.740 -15.321 1.00 2.37 H new ATOM 0 HB3 ASN A 92 2.358 -3.314 -14.979 1.00 2.37 H new ATOM 0 HD21 ASN A 92 1.217 -3.910 -18.317 1.00 2.86 H new ATOM 0 HD22 ASN A 92 0.840 -3.096 -16.795 1.00 2.86 H new ATOM 1371 N GLY A 93 1.570 -0.242 -15.117 1.00 0.90 N ATOM 1372 CA GLY A 93 0.532 0.759 -15.421 1.00 1.44 C ATOM 1373 C GLY A 93 -0.275 1.254 -14.213 1.00 1.31 C ATOM 1374 O GLY A 93 -0.031 0.850 -13.075 1.00 1.89 O ATOM 0 H GLY A 93 1.581 -0.541 -14.142 1.00 0.90 H new ATOM 0 HA2 GLY A 93 1.006 1.617 -15.897 1.00 1.44 H new ATOM 0 HA3 GLY A 93 -0.159 0.333 -16.149 1.00 1.44 H new ATOM 1378 N SER A 94 -1.226 2.161 -14.470 1.00 1.12 N ATOM 1379 CA SER A 94 -2.065 2.801 -13.443 1.00 0.98 C ATOM 1380 C SER A 94 -3.258 1.930 -13.029 1.00 0.96 C ATOM 1381 O SER A 94 -3.978 1.408 -13.890 1.00 1.18 O ATOM 1382 CB SER A 94 -2.588 4.170 -13.904 1.00 1.21 C ATOM 1383 OG SER A 94 -1.530 5.071 -14.179 1.00 2.13 O ATOM 0 H SER A 94 -1.440 2.478 -15.416 1.00 1.12 H new ATOM 0 HA SER A 94 -1.414 2.933 -12.579 1.00 0.98 H new ATOM 0 HB2 SER A 94 -3.199 4.044 -14.797 1.00 1.21 H new ATOM 0 HB3 SER A 94 -3.233 4.591 -13.133 1.00 1.21 H new ATOM 0 HG SER A 94 -1.900 5.930 -14.471 1.00 2.13 H new ATOM 1389 N LEU A 95 -3.494 1.817 -11.719 1.00 0.87 N ATOM 1390 CA LEU A 95 -4.529 0.976 -11.092 1.00 0.88 C ATOM 1391 C LEU A 95 -5.409 1.787 -10.124 1.00 0.84 C ATOM 1392 O LEU A 95 -5.005 2.862 -9.676 1.00 0.86 O ATOM 1393 CB LEU A 95 -3.882 -0.161 -10.269 1.00 0.83 C ATOM 1394 CG LEU A 95 -2.569 -0.794 -10.741 1.00 1.00 C ATOM 1395 CD1 LEU A 95 -2.053 -1.701 -9.620 1.00 0.92 C ATOM 1396 CD2 LEU A 95 -2.797 -1.627 -11.991 1.00 1.34 C ATOM 0 H LEU A 95 -2.945 2.332 -11.030 1.00 0.87 H new ATOM 0 HA LEU A 95 -5.136 0.576 -11.905 1.00 0.88 H new ATOM 0 HB2 LEU A 95 -3.714 0.222 -9.262 1.00 0.83 H new ATOM 0 HB3 LEU A 95 -4.617 -0.961 -10.187 1.00 0.83 H new ATOM 0 HG LEU A 95 -1.848 -0.011 -10.975 1.00 1.00 H new ATOM 0 HD11 LEU A 95 -1.117 -2.166 -9.930 1.00 0.92 H new ATOM 0 HD12 LEU A 95 -1.884 -1.108 -8.721 1.00 0.92 H new ATOM 0 HD13 LEU A 95 -2.791 -2.476 -9.410 1.00 0.92 H new ATOM 0 HD21 LEU A 95 -1.853 -2.068 -12.311 1.00 1.34 H new ATOM 0 HD22 LEU A 95 -3.513 -2.420 -11.774 1.00 1.34 H new ATOM 0 HD23 LEU A 95 -3.188 -0.991 -12.785 1.00 1.34 H new ATOM 1408 N LEU A 96 -6.563 1.241 -9.718 1.00 0.82 N ATOM 1409 CA LEU A 96 -7.366 1.787 -8.612 1.00 0.81 C ATOM 1410 C LEU A 96 -7.516 0.760 -7.481 1.00 0.75 C ATOM 1411 O LEU A 96 -7.807 -0.419 -7.711 1.00 0.81 O ATOM 1412 CB LEU A 96 -8.729 2.357 -9.056 1.00 1.02 C ATOM 1413 CG LEU A 96 -8.645 3.685 -9.836 1.00 1.53 C ATOM 1414 CD1 LEU A 96 -8.336 3.497 -11.320 1.00 2.15 C ATOM 1415 CD2 LEU A 96 -9.975 4.433 -9.755 1.00 2.03 C ATOM 0 H LEU A 96 -6.968 0.408 -10.146 1.00 0.82 H new ATOM 0 HA LEU A 96 -6.811 2.642 -8.226 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -9.233 1.617 -9.678 1.00 1.02 H new ATOM 0 HB3 LEU A 96 -9.350 2.508 -8.173 1.00 1.02 H new ATOM 0 HG LEU A 96 -7.831 4.242 -9.371 1.00 1.53 H new ATOM 0 HD11 LEU A 96 -8.291 4.470 -11.808 1.00 2.15 H new ATOM 0 HD12 LEU A 96 -7.377 2.991 -11.431 1.00 2.15 H new ATOM 0 HD13 LEU A 96 -9.119 2.895 -11.781 1.00 2.15 H new ATOM 0 HD21 LEU A 96 -9.901 5.368 -10.310 1.00 2.03 H new ATOM 0 HD22 LEU A 96 -10.765 3.818 -10.185 1.00 2.03 H new ATOM 0 HD23 LEU A 96 -10.209 4.647 -8.712 1.00 2.03 H new ATOM 1427 N ILE A 97 -7.286 1.234 -6.255 1.00 0.70 N ATOM 1428 CA ILE A 97 -7.156 0.437 -5.033 1.00 0.70 C ATOM 1429 C ILE A 97 -8.254 0.811 -4.037 1.00 0.64 C ATOM 1430 O ILE A 97 -8.351 1.975 -3.649 1.00 0.60 O ATOM 1431 CB ILE A 97 -5.770 0.687 -4.378 1.00 0.79 C ATOM 1432 CG1 ILE A 97 -4.585 0.738 -5.364 1.00 1.06 C ATOM 1433 CG2 ILE A 97 -5.505 -0.339 -3.261 1.00 0.84 C ATOM 1434 CD1 ILE A 97 -4.409 -0.534 -6.190 1.00 1.54 C ATOM 0 H ILE A 97 -7.180 2.233 -6.078 1.00 0.70 H new ATOM 0 HA ILE A 97 -7.251 -0.616 -5.298 1.00 0.70 H new ATOM 0 HB ILE A 97 -5.831 1.690 -3.955 1.00 0.79 H new ATOM 0 HG12 ILE A 97 -4.724 1.582 -6.040 1.00 1.06 H new ATOM 0 HG13 ILE A 97 -3.668 0.926 -4.805 1.00 1.06 H new ATOM 0 HG21 ILE A 97 -4.529 -0.147 -2.815 1.00 0.84 H new ATOM 0 HG22 ILE A 97 -6.277 -0.252 -2.497 1.00 0.84 H new ATOM 0 HG23 ILE A 97 -5.521 -1.345 -3.680 1.00 0.84 H new ATOM 0 HD11 ILE A 97 -3.556 -0.419 -6.858 1.00 1.54 H new ATOM 0 HD12 ILE A 97 -4.237 -1.379 -5.524 1.00 1.54 H new ATOM 0 HD13 ILE A 97 -5.309 -0.713 -6.778 1.00 1.54 H new ATOM 1446 N CYS A 98 -9.045 -0.150 -3.556 1.00 0.66 N ATOM 1447 CA CYS A 98 -9.928 0.114 -2.420 1.00 0.65 C ATOM 1448 C CYS A 98 -9.127 -0.028 -1.119 1.00 0.72 C ATOM 1449 O CYS A 98 -8.665 -1.124 -0.785 1.00 0.77 O ATOM 1450 CB CYS A 98 -11.196 -0.751 -2.466 1.00 0.65 C ATOM 1451 SG CYS A 98 -10.842 -2.528 -2.469 1.00 1.50 S ATOM 0 H CYS A 98 -9.093 -1.099 -3.926 1.00 0.66 H new ATOM 0 HA CYS A 98 -10.296 1.139 -2.471 1.00 0.65 H new ATOM 0 HB2 CYS A 98 -11.823 -0.513 -1.607 1.00 0.65 H new ATOM 0 HB3 CYS A 98 -11.769 -0.499 -3.358 1.00 0.65 H new ATOM 0 HG CYS A 98 -9.735 -2.749 -3.114 1.00 1.50 H new ATOM 1457 N ALA A 99 -8.959 1.074 -0.386 1.00 0.77 N ATOM 1458 CA ALA A 99 -8.316 1.064 0.924 1.00 0.78 C ATOM 1459 C ALA A 99 -9.326 0.544 1.953 1.00 0.87 C ATOM 1460 O ALA A 99 -10.348 1.185 2.190 1.00 1.01 O ATOM 1461 CB ALA A 99 -7.829 2.483 1.248 1.00 0.79 C ATOM 0 H ALA A 99 -9.266 1.999 -0.687 1.00 0.77 H new ATOM 0 HA ALA A 99 -7.447 0.406 0.941 1.00 0.78 H new ATOM 0 HB1 ALA A 99 -7.346 2.488 2.225 1.00 0.79 H new ATOM 0 HB2 ALA A 99 -7.115 2.805 0.489 1.00 0.79 H new ATOM 0 HB3 ALA A 99 -8.679 3.166 1.260 1.00 0.79 H new ATOM 1467 N THR A 100 -9.073 -0.637 2.517 1.00 0.96 N ATOM 1468 CA THR A 100 -10.021 -1.349 3.408 1.00 1.18 C ATOM 1469 C THR A 100 -9.622 -1.265 4.887 1.00 1.17 C ATOM 1470 O THR A 100 -10.315 -1.794 5.756 1.00 1.33 O ATOM 1471 CB THR A 100 -10.213 -2.788 2.891 1.00 1.38 C ATOM 1472 OG1 THR A 100 -11.424 -3.364 3.321 1.00 2.45 O ATOM 1473 CG2 THR A 100 -9.092 -3.736 3.308 1.00 1.89 C ATOM 0 H THR A 100 -8.198 -1.141 2.374 1.00 0.96 H new ATOM 0 HA THR A 100 -10.990 -0.850 3.373 1.00 1.18 H new ATOM 0 HB THR A 100 -10.212 -2.674 1.807 1.00 1.38 H new ATOM 0 HG1 THR A 100 -11.588 -3.121 4.256 1.00 2.45 H new ATOM 0 HG21 THR A 100 -9.291 -4.731 2.911 1.00 1.89 H new ATOM 0 HG22 THR A 100 -8.143 -3.371 2.916 1.00 1.89 H new ATOM 0 HG23 THR A 100 -9.041 -3.783 4.396 1.00 1.89 H new ATOM 1481 N HIS A 101 -8.537 -0.540 5.186 1.00 1.06 N ATOM 1482 CA HIS A 101 -8.070 -0.220 6.533 1.00 1.18 C ATOM 1483 C HIS A 101 -7.382 1.156 6.584 1.00 1.08 C ATOM 1484 O HIS A 101 -6.827 1.615 5.584 1.00 0.98 O ATOM 1485 CB HIS A 101 -7.094 -1.308 6.993 1.00 1.26 C ATOM 1486 CG HIS A 101 -7.754 -2.636 7.255 1.00 1.52 C ATOM 1487 ND1 HIS A 101 -7.657 -3.753 6.464 1.00 1.70 N ATOM 1488 CD2 HIS A 101 -8.559 -2.959 8.314 1.00 1.81 C ATOM 1489 CE1 HIS A 101 -8.400 -4.725 7.012 1.00 1.99 C ATOM 1490 NE2 HIS A 101 -8.955 -4.297 8.161 1.00 2.06 N ATOM 0 H HIS A 101 -7.937 -0.145 4.462 1.00 1.06 H new ATOM 0 HA HIS A 101 -8.933 -0.180 7.198 1.00 1.18 H new ATOM 0 HB2 HIS A 101 -6.323 -1.438 6.233 1.00 1.26 H new ATOM 0 HB3 HIS A 101 -6.593 -0.975 7.902 1.00 1.26 H new ATOM 0 HD1 HIS A 101 -7.112 -3.831 5.605 1.00 1.70 H new ATOM 0 HD2 HIS A 101 -8.840 -2.301 9.123 1.00 1.81 H new ATOM 0 HE1 HIS A 101 -8.534 -5.711 6.592 1.00 1.99 H new ATOM 1498 N VAL A 102 -7.384 1.793 7.758 1.00 1.15 N ATOM 1499 CA VAL A 102 -6.617 3.024 8.055 1.00 1.18 C ATOM 1500 C VAL A 102 -5.163 2.722 8.438 1.00 1.21 C ATOM 1501 O VAL A 102 -4.819 1.585 8.763 1.00 1.18 O ATOM 1502 CB VAL A 102 -7.310 3.876 9.134 1.00 1.25 C ATOM 1503 CG1 VAL A 102 -8.624 4.421 8.583 1.00 1.96 C ATOM 1504 CG2 VAL A 102 -7.594 3.119 10.433 1.00 1.80 C ATOM 0 H VAL A 102 -7.931 1.465 8.554 1.00 1.15 H new ATOM 0 HA VAL A 102 -6.592 3.607 7.134 1.00 1.18 H new ATOM 0 HB VAL A 102 -6.616 4.679 9.382 1.00 1.25 H new ATOM 0 HG11 VAL A 102 -9.116 5.024 9.346 1.00 1.96 H new ATOM 0 HG12 VAL A 102 -8.423 5.037 7.706 1.00 1.96 H new ATOM 0 HG13 VAL A 102 -9.273 3.591 8.302 1.00 1.96 H new ATOM 0 HG21 VAL A 102 -8.083 3.786 11.143 1.00 1.80 H new ATOM 0 HG22 VAL A 102 -8.245 2.270 10.225 1.00 1.80 H new ATOM 0 HG23 VAL A 102 -6.656 2.761 10.858 1.00 1.80 H new ATOM 1514 N GLY A 103 -4.287 3.734 8.446 1.00 1.34 N ATOM 1515 CA GLY A 103 -2.842 3.552 8.648 1.00 1.44 C ATOM 1516 C GLY A 103 -2.469 2.899 9.986 1.00 1.48 C ATOM 1517 O GLY A 103 -1.563 2.061 10.030 1.00 1.50 O ATOM 0 H GLY A 103 -4.561 4.707 8.312 1.00 1.34 H new ATOM 0 HA2 GLY A 103 -2.448 2.941 7.836 1.00 1.44 H new ATOM 0 HA3 GLY A 103 -2.352 4.524 8.582 1.00 1.44 H new ATOM 1521 N ALA A 104 -3.207 3.186 11.062 1.00 1.56 N ATOM 1522 CA ALA A 104 -2.999 2.573 12.378 1.00 1.63 C ATOM 1523 C ALA A 104 -3.224 1.044 12.392 1.00 1.39 C ATOM 1524 O ALA A 104 -2.555 0.329 13.140 1.00 1.41 O ATOM 1525 CB ALA A 104 -3.913 3.283 13.383 1.00 1.89 C ATOM 0 H ALA A 104 -3.974 3.858 11.044 1.00 1.56 H new ATOM 0 HA ALA A 104 -1.952 2.701 12.654 1.00 1.63 H new ATOM 0 HB1 ALA A 104 -3.777 2.845 14.372 1.00 1.89 H new ATOM 0 HB2 ALA A 104 -3.661 4.343 13.418 1.00 1.89 H new ATOM 0 HB3 ALA A 104 -4.952 3.167 13.075 1.00 1.89 H new ATOM 1531 N ASP A 105 -4.128 0.519 11.562 1.00 1.24 N ATOM 1532 CA ASP A 105 -4.343 -0.929 11.401 1.00 1.14 C ATOM 1533 C ASP A 105 -3.241 -1.629 10.578 1.00 0.96 C ATOM 1534 O ASP A 105 -3.109 -2.856 10.634 1.00 1.15 O ATOM 1535 CB ASP A 105 -5.733 -1.156 10.798 1.00 1.41 C ATOM 1536 CG ASP A 105 -6.103 -2.640 10.714 1.00 1.87 C ATOM 1537 OD1 ASP A 105 -6.679 -3.177 11.690 1.00 2.17 O ATOM 1538 OD2 ASP A 105 -5.862 -3.284 9.666 1.00 2.95 O ATOM 0 H ASP A 105 -4.739 1.088 10.976 1.00 1.24 H new ATOM 0 HA ASP A 105 -4.286 -1.389 12.387 1.00 1.14 H new ATOM 0 HB2 ASP A 105 -6.476 -0.634 11.400 1.00 1.41 H new ATOM 0 HB3 ASP A 105 -5.768 -0.720 9.800 1.00 1.41 H new ATOM 1543 N THR A 106 -2.435 -0.884 9.807 1.00 0.88 N ATOM 1544 CA THR A 106 -1.521 -1.491 8.822 1.00 0.96 C ATOM 1545 C THR A 106 -0.441 -2.349 9.476 1.00 1.14 C ATOM 1546 O THR A 106 0.061 -2.043 10.562 1.00 1.20 O ATOM 1547 CB THR A 106 -0.881 -0.499 7.835 1.00 1.03 C ATOM 1548 OG1 THR A 106 -0.106 0.480 8.484 1.00 1.83 O ATOM 1549 CG2 THR A 106 -1.912 0.209 6.962 1.00 1.46 C ATOM 0 H THR A 106 -2.396 0.135 9.844 1.00 0.88 H new ATOM 0 HA THR A 106 -2.175 -2.133 8.231 1.00 0.96 H new ATOM 0 HB THR A 106 -0.237 -1.112 7.204 1.00 1.03 H new ATOM 0 HG1 THR A 106 -0.684 1.030 9.054 1.00 1.83 H new ATOM 0 HG21 THR A 106 -1.405 0.897 6.285 1.00 1.46 H new ATOM 0 HG22 THR A 106 -2.466 -0.529 6.382 1.00 1.46 H new ATOM 0 HG23 THR A 106 -2.603 0.766 7.594 1.00 1.46 H new ATOM 1557 N THR A 107 -0.075 -3.440 8.801 1.00 1.29 N ATOM 1558 CA THR A 107 0.776 -4.502 9.358 1.00 1.37 C ATOM 1559 C THR A 107 2.195 -4.024 9.687 1.00 1.37 C ATOM 1560 O THR A 107 2.836 -4.562 10.582 1.00 1.32 O ATOM 1561 CB THR A 107 0.746 -5.732 8.429 1.00 1.54 C ATOM 1562 OG1 THR A 107 1.208 -6.888 9.087 1.00 1.92 O ATOM 1563 CG2 THR A 107 1.552 -5.577 7.140 1.00 1.94 C ATOM 0 H THR A 107 -0.363 -3.617 7.839 1.00 1.29 H new ATOM 0 HA THR A 107 0.364 -4.799 10.322 1.00 1.37 H new ATOM 0 HB THR A 107 -0.305 -5.826 8.157 1.00 1.54 H new ATOM 0 HG1 THR A 107 1.175 -7.650 8.472 1.00 1.92 H new ATOM 0 HG21 THR A 107 1.473 -6.490 6.550 1.00 1.94 H new ATOM 0 HG22 THR A 107 1.161 -4.738 6.565 1.00 1.94 H new ATOM 0 HG23 THR A 107 2.598 -5.392 7.385 1.00 1.94 H new ATOM 1571 N LEU A 108 2.670 -2.944 9.058 1.00 1.46 N ATOM 1572 CA LEU A 108 4.026 -2.408 9.227 1.00 1.45 C ATOM 1573 C LEU A 108 4.339 -2.003 10.679 1.00 1.38 C ATOM 1574 O LEU A 108 5.353 -2.427 11.233 1.00 1.31 O ATOM 1575 CB LEU A 108 4.220 -1.220 8.268 1.00 1.59 C ATOM 1576 CG LEU A 108 4.471 -1.587 6.791 1.00 0.71 C ATOM 1577 CD1 LEU A 108 3.327 -2.345 6.122 1.00 1.51 C ATOM 1578 CD2 LEU A 108 4.656 -0.293 6.015 1.00 0.75 C ATOM 0 H LEU A 108 2.108 -2.404 8.400 1.00 1.46 H new ATOM 0 HA LEU A 108 4.731 -3.203 8.984 1.00 1.45 H new ATOM 0 HB2 LEU A 108 3.335 -0.586 8.320 1.00 1.59 H new ATOM 0 HB3 LEU A 108 5.061 -0.624 8.623 1.00 1.59 H new ATOM 0 HG LEU A 108 5.343 -2.241 6.781 1.00 0.71 H new ATOM 0 HD11 LEU A 108 3.590 -2.561 5.087 1.00 1.51 H new ATOM 0 HD12 LEU A 108 3.150 -3.280 6.654 1.00 1.51 H new ATOM 0 HD13 LEU A 108 2.423 -1.736 6.147 1.00 1.51 H new ATOM 0 HD21 LEU A 108 4.836 -0.521 4.964 1.00 0.75 H new ATOM 0 HD22 LEU A 108 3.757 0.317 6.105 1.00 0.75 H new ATOM 0 HD23 LEU A 108 5.508 0.254 6.418 1.00 0.75 H new ATOM 1590 N SER A 109 3.454 -1.232 11.318 1.00 1.43 N ATOM 1591 CA SER A 109 3.575 -0.894 12.748 1.00 1.43 C ATOM 1592 C SER A 109 3.255 -2.067 13.684 1.00 1.27 C ATOM 1593 O SER A 109 3.623 -2.025 14.856 1.00 1.27 O ATOM 1594 CB SER A 109 2.714 0.318 13.111 1.00 1.67 C ATOM 1595 OG SER A 109 3.317 1.505 12.624 1.00 2.75 O ATOM 0 H SER A 109 2.636 -0.824 10.865 1.00 1.43 H new ATOM 0 HA SER A 109 4.626 -0.646 12.899 1.00 1.43 H new ATOM 0 HB2 SER A 109 1.717 0.206 12.686 1.00 1.67 H new ATOM 0 HB3 SER A 109 2.594 0.379 14.193 1.00 1.67 H new ATOM 0 HG SER A 109 4.239 1.561 12.951 1.00 2.75 H new ATOM 1601 N GLN A 110 2.583 -3.112 13.190 1.00 1.21 N ATOM 1602 CA GLN A 110 2.362 -4.358 13.942 1.00 1.14 C ATOM 1603 C GLN A 110 3.613 -5.257 13.986 1.00 1.09 C ATOM 1604 O GLN A 110 3.944 -5.825 15.029 1.00 1.12 O ATOM 1605 CB GLN A 110 1.138 -5.083 13.370 1.00 1.17 C ATOM 1606 CG GLN A 110 0.547 -6.131 14.322 1.00 1.21 C ATOM 1607 CD GLN A 110 -0.320 -5.508 15.398 1.00 1.31 C ATOM 1608 OE1 GLN A 110 -0.059 -5.588 16.592 1.00 1.38 O ATOM 1609 NE2 GLN A 110 -1.378 -4.846 14.998 1.00 1.48 N ATOM 0 H GLN A 110 2.175 -3.121 12.255 1.00 1.21 H new ATOM 0 HA GLN A 110 2.163 -4.103 14.983 1.00 1.14 H new ATOM 0 HB2 GLN A 110 0.370 -4.348 13.130 1.00 1.17 H new ATOM 0 HB3 GLN A 110 1.418 -5.569 12.435 1.00 1.17 H new ATOM 0 HG2 GLN A 110 -0.045 -6.845 13.750 1.00 1.21 H new ATOM 0 HG3 GLN A 110 1.357 -6.691 14.790 1.00 1.21 H new ATOM 0 HE21 GLN A 110 -1.593 -4.781 14.003 1.00 1.48 H new ATOM 0 HE22 GLN A 110 -1.986 -4.396 15.682 1.00 1.48 H new ATOM 1618 N ILE A 111 4.331 -5.362 12.861 1.00 1.08 N ATOM 1619 CA ILE A 111 5.578 -6.132 12.708 1.00 1.07 C ATOM 1620 C ILE A 111 6.610 -5.689 13.750 1.00 1.06 C ATOM 1621 O ILE A 111 7.170 -6.523 14.463 1.00 1.14 O ATOM 1622 CB ILE A 111 6.115 -5.985 11.258 1.00 1.16 C ATOM 1623 CG1 ILE A 111 5.225 -6.772 10.269 1.00 1.29 C ATOM 1624 CG2 ILE A 111 7.573 -6.474 11.121 1.00 1.21 C ATOM 1625 CD1 ILE A 111 5.342 -6.317 8.809 1.00 1.46 C ATOM 0 H ILE A 111 4.051 -4.896 11.998 1.00 1.08 H new ATOM 0 HA ILE A 111 5.376 -7.189 12.882 1.00 1.07 H new ATOM 0 HB ILE A 111 6.089 -4.921 11.021 1.00 1.16 H new ATOM 0 HG12 ILE A 111 5.484 -7.829 10.329 1.00 1.29 H new ATOM 0 HG13 ILE A 111 4.185 -6.680 10.583 1.00 1.29 H new ATOM 0 HG21 ILE A 111 7.903 -6.351 10.089 1.00 1.21 H new ATOM 0 HG22 ILE A 111 8.216 -5.890 11.780 1.00 1.21 H new ATOM 0 HG23 ILE A 111 7.631 -7.527 11.397 1.00 1.21 H new ATOM 0 HD11 ILE A 111 4.684 -6.922 8.185 1.00 1.46 H new ATOM 0 HD12 ILE A 111 5.053 -5.269 8.730 1.00 1.46 H new ATOM 0 HD13 ILE A 111 6.372 -6.436 8.472 1.00 1.46 H new ATOM 1637 N VAL A 112 6.819 -4.379 13.923 1.00 1.08 N ATOM 1638 CA VAL A 112 7.821 -3.856 14.870 1.00 1.15 C ATOM 1639 C VAL A 112 7.536 -4.181 16.339 1.00 1.37 C ATOM 1640 O VAL A 112 8.460 -4.165 17.149 1.00 1.47 O ATOM 1641 CB VAL A 112 8.049 -2.344 14.701 1.00 1.28 C ATOM 1642 CG1 VAL A 112 8.554 -2.021 13.295 1.00 1.25 C ATOM 1643 CG2 VAL A 112 6.804 -1.497 14.948 1.00 1.50 C ATOM 0 H VAL A 112 6.307 -3.655 13.419 1.00 1.08 H new ATOM 0 HA VAL A 112 8.736 -4.386 14.606 1.00 1.15 H new ATOM 0 HB VAL A 112 8.790 -2.091 15.459 1.00 1.28 H new ATOM 0 HG11 VAL A 112 8.707 -0.946 13.201 1.00 1.25 H new ATOM 0 HG12 VAL A 112 9.497 -2.539 13.119 1.00 1.25 H new ATOM 0 HG13 VAL A 112 7.818 -2.348 12.560 1.00 1.25 H new ATOM 0 HG21 VAL A 112 7.047 -0.444 14.809 1.00 1.50 H new ATOM 0 HG22 VAL A 112 6.023 -1.785 14.244 1.00 1.50 H new ATOM 0 HG23 VAL A 112 6.451 -1.657 15.967 1.00 1.50 H new